smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC4(CC([NH3+])C4)CC3)c2c1C ZINC001164386691 718802360 /nfs/dbraw/zinc/80/23/60/718802360.db2.gz DPYAJZGBUNUHIX-UHFFFAOYSA-N 1 0 459.616 2.716 20 0 JFADRO c1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164391433 718824705 /nfs/dbraw/zinc/82/47/05/718824705.db2.gz VUNPXUHOBIBKQM-UXHICEINSA-N 1 0 451.596 2.758 20 0 JFADRO F[C@]1(N2CCN3CC[NH2+]C[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164398676 718835755 /nfs/dbraw/zinc/83/57/55/718835755.db2.gz JJIGKPGUGOTOBM-IERDGZPVSA-N 1 0 451.377 2.511 20 0 JFADRO O=S(=O)(c1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1)N(Cc1ccccc1)Cc1ccccc1 ZINC001164403451 718839599 /nfs/dbraw/zinc/83/95/99/718839599.db2.gz JGNNFBKANOEXNU-XMMPIXPASA-N 1 0 477.634 2.567 20 0 JFADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164402965 718852377 /nfs/dbraw/zinc/85/23/77/718852377.db2.gz HBDJIHLIZBELPM-DJJJIMSYSA-N 1 0 473.307 2.703 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164409899 718864264 /nfs/dbraw/zinc/86/42/64/718864264.db2.gz VGQYHPDZUCNRIP-ZWKOTPCHSA-N 1 0 473.643 2.977 20 0 JFADRO CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N3CCNC(=O)C34C[NH2+]C4)n2)CC1 ZINC001164410919 718878817 /nfs/dbraw/zinc/87/88/17/718878817.db2.gz JREMKCGBQIOCGR-UHFFFAOYSA-N 1 0 468.652 2.930 20 0 JFADRO C(c1nc2sc3c(c2c(N2CCCO[C@]4(C[NH2+]CCOC4)C2)n1)CCCC3)N1CCCC1 ZINC001164424995 718916327 /nfs/dbraw/zinc/91/63/27/718916327.db2.gz PTNRLXNZUSPMPS-XMMPIXPASA-N 1 0 457.644 2.751 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164435072 718969136 /nfs/dbraw/zinc/96/91/36/718969136.db2.gz YKCZGPLOTYIEJZ-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164431822 718970182 /nfs/dbraw/zinc/97/01/82/718970182.db2.gz BVPRKLULRPJVFF-KBPBESRZSA-N 1 0 463.234 2.936 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164431828 718970184 /nfs/dbraw/zinc/97/01/84/718970184.db2.gz BVPRKLULRPJVFF-ZIAGYGMSSA-N 1 0 463.234 2.936 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164434353 718970500 /nfs/dbraw/zinc/97/05/00/718970500.db2.gz QJKBTLFJDWKAQL-CVEARBPZSA-N 1 0 486.825 2.893 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164614236 719018845 /nfs/dbraw/zinc/01/88/45/719018845.db2.gz DPIDTOWOEUPMMN-XIRDDKMYSA-N 1 0 468.888 2.864 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nc(N4CCOCC4)nc3Cl)CC2)CC1 ZINC001164616985 719027908 /nfs/dbraw/zinc/02/79/08/719027908.db2.gz GWNVAHOGQKZHEO-UHFFFAOYSA-N 1 0 472.417 2.864 20 0 JFADRO CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164618127 719032509 /nfs/dbraw/zinc/03/25/09/719032509.db2.gz SSBIIWJCGZSOLH-GOSISDBHSA-N 1 0 466.648 2.792 20 0 JFADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164632985 719143252 /nfs/dbraw/zinc/14/32/52/719143252.db2.gz QSNBPZLTWUHUCE-HOFKKMOUSA-N 1 0 461.610 2.588 20 0 JFADRO CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164632999 719143675 /nfs/dbraw/zinc/14/36/75/719143675.db2.gz QSNBPZLTWUHUCE-YIXXDRMTSA-N 1 0 461.610 2.588 20 0 JFADRO CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635955 719143684 /nfs/dbraw/zinc/14/36/84/719143684.db2.gz XSEVHCNBKTZTAN-YIXXDRMTSA-N 1 0 461.610 2.587 20 0 JFADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@@H+]4CC[C@H](CO)C4)C[C@@H]3O2)n1 ZINC001164648076 719300010 /nfs/dbraw/zinc/30/00/10/719300010.db2.gz FTNYLNMEDAGGLY-GPHNJDIKSA-N 1 0 498.628 2.928 20 0 JFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@H]21 ZINC001164667855 719439393 /nfs/dbraw/zinc/43/93/93/719439393.db2.gz HWNVXOOPPLUORQ-RPBOFIJWSA-N 1 0 478.618 2.992 20 0 JFADRO CN1CCc2nc(Cl)nc(N([C@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)c2C1 ZINC001164687307 719591923 /nfs/dbraw/zinc/59/19/23/719591923.db2.gz SASDOZSMXOCNFD-IBGZPJMESA-N 1 0 462.019 2.845 20 0 JFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682489 719631936 /nfs/dbraw/zinc/63/19/36/719631936.db2.gz NHRXUSBDDVCGCL-PKNBQFBNSA-N 1 0 468.602 2.924 20 0 JFADRO CC(C)N(C)Cc1nn([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CC[NH2+]C2 ZINC001164679589 719637090 /nfs/dbraw/zinc/63/70/90/719637090.db2.gz IEEDDJZLSRRWLQ-HSZRJFAPSA-N 1 0 491.015 2.836 20 0 JFADRO COc1ccc(-c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)c(OC)c1OC ZINC001164679827 719647439 /nfs/dbraw/zinc/64/74/39/719647439.db2.gz OIXUAGRRSQEBNQ-UHFFFAOYSA-N 1 0 452.559 2.841 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C(N)=O)c(Cl)cn3)CC2)c2ccccc21 ZINC001164681054 719658145 /nfs/dbraw/zinc/65/81/45/719658145.db2.gz MBDRUXXKPITOGW-KRWDZBQOSA-N 1 0 470.017 2.927 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(N)=O)c(Cl)cn3)CC2)c2ccccc21 ZINC001164681056 719659764 /nfs/dbraw/zinc/65/97/64/719659764.db2.gz MBDRUXXKPITOGW-QGZVFWFLSA-N 1 0 470.017 2.927 20 0 JFADRO CCOC(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164685338 719660612 /nfs/dbraw/zinc/66/06/12/719660612.db2.gz ZGEIOTRWYAHFKM-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO CN(C)C(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164686916 719665709 /nfs/dbraw/zinc/66/57/09/719665709.db2.gz ZADZYMPLHSUDHU-OAQYLSRUSA-N 1 0 463.626 2.877 20 0 JFADRO COc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1OC ZINC001164679972 719668382 /nfs/dbraw/zinc/66/83/82/719668382.db2.gz AAKSBOLKOMGLKS-SFHVURJKSA-N 1 0 453.587 2.587 20 0 JFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164680793 719670729 /nfs/dbraw/zinc/67/07/29/719670729.db2.gz HPTMZNYMTXGEAI-ZWKOTPCHSA-N 1 0 462.598 2.626 20 0 JFADRO CCOC(=O)Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680892 719671175 /nfs/dbraw/zinc/67/11/75/719671175.db2.gz INIKGCOXTBPFDR-OAQYLSRUSA-N 1 0 479.625 2.676 20 0 JFADRO CN(C)c1nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2nc[nH]c21 ZINC001164682163 719672068 /nfs/dbraw/zinc/67/20/68/719672068.db2.gz PIRDVGWLNSGPLH-SFHVURJKSA-N 1 0 476.629 2.512 20 0 JFADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680819 719674132 /nfs/dbraw/zinc/67/41/32/719674132.db2.gz HUHIPIPWEHWUNC-FQEVSTJZSA-N 1 0 479.625 2.676 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cncc(-n4ccnc4)n3)CC2)c2ccccc21 ZINC001164681504 719674588 /nfs/dbraw/zinc/67/45/88/719674588.db2.gz MDJJHGIKLVXCTA-FQEVSTJZSA-N 1 0 459.598 2.756 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(S(C)(=O)=O)cn3)CC2)c2ccccc21 ZINC001164683359 719676121 /nfs/dbraw/zinc/67/61/21/719676121.db2.gz RPAFFXASRDUBAA-LJQANCHMSA-N 1 0 470.639 2.579 20 0 JFADRO COC(=O)CSc1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681045 719679404 /nfs/dbraw/zinc/67/94/04/719679404.db2.gz JAPGUXUOFXRWEN-IBGZPJMESA-N 1 0 497.665 2.835 20 0 JFADRO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21 ZINC001164702783 719885406 /nfs/dbraw/zinc/88/54/06/719885406.db2.gz QCRLMCVNBFZTCP-ZYSHUDEJSA-N 1 0 490.942 2.784 20 0 JFADRO O=C([C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21)N1CCCCO1 ZINC001164707527 719913360 /nfs/dbraw/zinc/91/33/60/719913360.db2.gz SRDZWWZNOSPOPX-RBZQAINGSA-N 1 0 462.594 2.893 20 0 JFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@H]21)c1cnccn1 ZINC001164710330 720051771 /nfs/dbraw/zinc/05/17/71/720051771.db2.gz DZDPPKRBKWKTAC-AVPJRLCVSA-N 1 0 484.604 2.844 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164810356 720085722 /nfs/dbraw/zinc/08/57/22/720085722.db2.gz LDRLYLXQZUBLSH-UWJYYQICSA-N 1 0 471.980 2.696 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164716896 720110266 /nfs/dbraw/zinc/11/02/66/720110266.db2.gz LHQBMBHUOCRBEG-GOSISDBHSA-N 1 0 459.978 2.748 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164713610 720140536 /nfs/dbraw/zinc/14/05/36/720140536.db2.gz STSLRAVARLMBBT-QHCPKHFHSA-N 1 0 492.672 2.975 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164714002 720140652 /nfs/dbraw/zinc/14/06/52/720140652.db2.gz UYGHBKXNFSPWSA-NRFANRHFSA-N 1 0 473.643 2.671 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808198 720147669 /nfs/dbraw/zinc/14/76/69/720147669.db2.gz DWLOOHNHXUYTLE-DFBJGRDBSA-N 1 0 468.554 2.665 20 0 JFADRO COCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccccc2)n1 ZINC001164713923 720169605 /nfs/dbraw/zinc/16/96/05/720169605.db2.gz MRTVVTQVBQOLHU-QFIPXVFZSA-N 1 0 463.586 2.635 20 0 JFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817810 720174024 /nfs/dbraw/zinc/17/40/24/720174024.db2.gz QIMKNWHIBUPJPY-AUSIDOKSSA-N 1 0 450.649 2.733 20 0 JFADRO COc1cccc2c1nc(Cl)nc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715436 720180795 /nfs/dbraw/zinc/18/07/95/720180795.db2.gz CCDUHFKCPNDIHA-KRWDZBQOSA-N 1 0 457.966 2.637 20 0 JFADRO CCOc1cc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1OCC ZINC001164719908 720182758 /nfs/dbraw/zinc/18/27/58/720182758.db2.gz YNAPBHBCBJNMEH-NRFANRHFSA-N 1 0 481.601 2.772 20 0 JFADRO COc1cc2c(cc1Cl)ncnc2N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718808 720182793 /nfs/dbraw/zinc/18/27/93/720182793.db2.gz RTQGLCVLLKPIFW-IBGZPJMESA-N 1 0 457.966 2.637 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)c1c3c(nnc1Cl)CCC3)[C@H]2COCC[NH+]1CCCC1 ZINC001164713796 720198208 /nfs/dbraw/zinc/19/82/08/720198208.db2.gz DQWSWTIIBGISRM-KRWDZBQOSA-N 1 0 467.952 2.508 20 0 JFADRO Cn1nnc2c1CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716112 720199576 /nfs/dbraw/zinc/19/95/76/720199576.db2.gz PAGRRZPFPHXHPM-QFIPXVFZSA-N 1 0 491.596 2.650 20 0 JFADRO COc1ccc(OC)c(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164716000 720200848 /nfs/dbraw/zinc/20/08/48/720200848.db2.gz NXNLMKWSIQPWTJ-JOCHJYFZSA-N 1 0 479.585 2.506 20 0 JFADRO Cc1cc(OCc2ccccc2)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164718261 720202507 /nfs/dbraw/zinc/20/25/07/720202507.db2.gz ZDDFUFTWZPPLEW-JOCHJYFZSA-N 1 0 463.586 2.709 20 0 JFADRO COc1ccc(Oc2cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc(C)n2)cc1 ZINC001164715047 720203092 /nfs/dbraw/zinc/20/30/92/720203092.db2.gz IQGRHIVHXZSRJN-JOCHJYFZSA-N 1 0 479.585 2.931 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CCC2 ZINC001164811442 720214908 /nfs/dbraw/zinc/21/49/08/720214908.db2.gz HWVOVUNMWJYBFU-UHFFFAOYSA-N 1 0 455.941 2.548 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)CCC2 ZINC001164812801 720220615 /nfs/dbraw/zinc/22/06/15/720220615.db2.gz JATGIVJTRVWCCJ-UHFFFAOYSA-N 1 0 473.625 2.842 20 0 JFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812847 720230691 /nfs/dbraw/zinc/23/06/91/720230691.db2.gz JCAVOPGZLNERJL-UHFFFAOYSA-N 1 0 477.613 2.823 20 0 JFADRO COc1ccc(OC)c(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)c1 ZINC001164812930 720240181 /nfs/dbraw/zinc/24/01/81/720240181.db2.gz KKPDWYIFMPUPCU-UHFFFAOYSA-N 1 0 464.570 2.968 20 0 JFADRO CN(C)Cc1nc2scc(-c3ccccc3)c2c(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)n1 ZINC001164815116 720246889 /nfs/dbraw/zinc/24/68/89/720246889.db2.gz ARELEWQTIOOZPC-UHFFFAOYSA-N 1 0 489.605 2.681 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817580 720275591 /nfs/dbraw/zinc/27/55/91/720275591.db2.gz DQLAZLNDBGOKDK-GYZWWNDVSA-N 1 0 494.640 2.993 20 0 JFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823234 720302015 /nfs/dbraw/zinc/30/20/15/720302015.db2.gz PQEPCNDBKYTRET-JKSUJKDBSA-N 1 0 456.969 2.652 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827430 720315365 /nfs/dbraw/zinc/31/53/65/720315365.db2.gz XSPYUUVXXDEJIJ-ROUUACIJSA-N 1 0 470.948 2.978 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827428 720315776 /nfs/dbraw/zinc/31/57/76/720315776.db2.gz XSPYUUVXXDEJIJ-QZTJIDSGSA-N 1 0 470.948 2.978 20 0 JFADRO CCOC(=O)c1cc2cccnc2nc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164830188 720317658 /nfs/dbraw/zinc/31/76/58/720317658.db2.gz OXSRCSPWATXTQE-SFTDATJTSA-N 1 0 451.571 2.718 20 0 JFADRO COc1cc2nc(C)nc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164823341 720320033 /nfs/dbraw/zinc/32/00/33/720320033.db2.gz ARWSZZWVTNVYNH-LEWJYISDSA-N 1 0 453.587 2.867 20 0 JFADRO 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CCOC(=O)[C@@H]1CCCN(c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nn2)C1 ZINC001164801824 721579823 /nfs/dbraw/zinc/57/98/23/721579823.db2.gz FWYNZOLHJPVAPN-HXKBJWFLSA-N 1 0 480.613 2.519 20 0 JFADRO CCOC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C(=O)OCC ZINC001164908403 721695096 /nfs/dbraw/zinc/69/50/96/721695096.db2.gz YXKNKODWFMJAGW-QHCPKHFHSA-N 1 0 489.523 2.963 20 0 JFADRO CCOC(=O)c1nnc(SC)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906013 721695178 /nfs/dbraw/zinc/69/51/78/721695178.db2.gz KWJAKFLJMYACQO-FQEVSTJZSA-N 1 0 464.542 2.903 20 0 JFADRO CCOC(=O)c1nnc(SC)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906016 721695826 /nfs/dbraw/zinc/69/58/26/721695826.db2.gz KWJAKFLJMYACQO-HXUWFJFHSA-N 1 0 464.542 2.903 20 0 JFADRO C[NH+]1CCN(c2ccc(N3C[C@@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)nn2)CC1 ZINC001164912834 721740203 /nfs/dbraw/zinc/74/02/03/721740203.db2.gz QLMMXMNWPDDSCF-WNCULLNHSA-N 1 0 469.593 2.651 20 0 JFADRO Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]3CCCO[C@H]23)cn1 ZINC001165013480 721758577 /nfs/dbraw/zinc/75/85/77/721758577.db2.gz MKKAERBMZFURRT-VAMGGRTRSA-N 1 0 492.958 2.556 20 0 JFADRO Cn1cc(C(=O)N[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165013478 721758848 /nfs/dbraw/zinc/75/88/48/721758848.db2.gz MKKAERBMZFURRT-AQNXPRMDSA-N 1 0 492.958 2.556 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165014825 721763027 /nfs/dbraw/zinc/76/30/27/721763027.db2.gz JWGJKRADVRZXJA-URHOCTSQSA-N 1 0 472.630 2.511 20 0 JFADRO COC(=O)c1cc2cnc(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)nc2n1C ZINC001165021261 721842971 /nfs/dbraw/zinc/84/29/71/721842971.db2.gz JVJOZDPUCAOACA-UHFFFAOYSA-N 1 0 453.543 2.873 20 0 JFADRO Fc1cnc(N2CCOC[C@@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)nc1 ZINC001164920912 721846158 /nfs/dbraw/zinc/84/61/58/721846158.db2.gz LIWXAJWSWPCKBV-XMMPIXPASA-N 1 0 456.566 2.609 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939664 721928651 /nfs/dbraw/zinc/92/86/51/721928651.db2.gz NRJIKSQHVXLUOF-UHFFFAOYSA-N 1 0 495.624 2.670 20 0 JFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)CC3)C2)cc1 ZINC001164939188 721932731 /nfs/dbraw/zinc/93/27/31/721932731.db2.gz KFQXKPSIPBHDMY-UHFFFAOYSA-N 1 0 450.992 2.562 20 0 JFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962402 722058840 /nfs/dbraw/zinc/05/88/40/722058840.db2.gz RQBUOEXXUKPJBZ-UHFFFAOYSA-N 1 0 465.932 2.893 20 0 JFADRO O=S(=O)(c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1)N1CCCCC1 ZINC001164961685 722059883 /nfs/dbraw/zinc/05/98/83/722059883.db2.gz OBUQGXUZYAZFBU-UHFFFAOYSA-N 1 0 485.654 2.770 20 0 JFADRO O=C(NC1CCCC1)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1 ZINC001164963403 722061022 /nfs/dbraw/zinc/06/10/22/722061022.db2.gz YLOLHCOJXYYHRI-UHFFFAOYSA-N 1 0 450.587 2.663 20 0 JFADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977281 722101776 /nfs/dbraw/zinc/10/17/76/722101776.db2.gz FRRQOTDMBAQOOP-AEFFLSMTSA-N 1 0 481.931 2.974 20 0 JFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983941 722104997 /nfs/dbraw/zinc/10/49/97/722104997.db2.gz RHJUFUFWUZLVCE-IRXDYDNUSA-N 1 0 452.937 2.863 20 0 JFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983943 722105400 /nfs/dbraw/zinc/10/54/00/722105400.db2.gz RHJUFUFWUZLVCE-SJORKVTESA-N 1 0 452.937 2.863 20 0 JFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982852 722105534 /nfs/dbraw/zinc/10/55/34/722105534.db2.gz PNCOLPXCWSSEOS-MOPGFXCFSA-N 1 0 494.974 2.634 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981896 722127059 /nfs/dbraw/zinc/12/70/59/722127059.db2.gz VKDMSFJGAZIKDA-YJBOKZPZSA-N 1 0 456.934 2.520 20 0 JFADRO Cc1cc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978186 722128189 /nfs/dbraw/zinc/12/81/89/722128189.db2.gz NSVXMTFZVWQOLI-RBBKRZOGSA-N 1 0 480.638 2.959 20 0 JFADRO CCOC(=O)c1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164983306 722130520 /nfs/dbraw/zinc/13/05/20/722130520.db2.gz TVIVGUDKPLIMTG-PKOBYXMFSA-N 1 0 453.568 2.990 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC(C)=O ZINC001164981150 722132641 /nfs/dbraw/zinc/13/26/41/722132641.db2.gz ORFVQPLJKBPFJL-CPJSRVTESA-N 1 0 491.548 2.603 20 0 JFADRO c1ccc(N2CCN(c3cc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ncn3)CC2)cc1 ZINC001164985412 722149606 /nfs/dbraw/zinc/14/96/06/722149606.db2.gz ZJBUFTOCLZIJCC-RSXGOPAZSA-N 1 0 485.636 2.926 20 0 JFADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001165005654 722244817 /nfs/dbraw/zinc/24/48/17/722244817.db2.gz VKIVDGLNDHKNBE-UTKZUKDTSA-N 1 0 491.970 2.973 20 0 JFADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]2C1 ZINC001165005648 722245039 /nfs/dbraw/zinc/24/50/39/722245039.db2.gz VKIVDGLNDHKNBE-DYESRHJHSA-N 1 0 491.970 2.973 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165000928 722251676 /nfs/dbraw/zinc/25/16/76/722251676.db2.gz WSJLQAYOGACUOD-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999608 722252576 /nfs/dbraw/zinc/25/25/76/722252576.db2.gz FAKDHQWKPXRRQD-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c(Cl)n1 ZINC001165001018 722253046 /nfs/dbraw/zinc/25/30/46/722253046.db2.gz YKEVNIFGEVYZMN-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002916 722253319 /nfs/dbraw/zinc/25/33/19/722253319.db2.gz XKVDPNUVUOSTPW-UHFFFAOYSA-N 1 0 469.011 2.714 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N1C1CCCC1 ZINC001165001648 722253339 /nfs/dbraw/zinc/25/33/39/722253339.db2.gz FBBHKXPEUNUGDT-OAQYLSRUSA-N 1 0 496.660 2.666 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001165004602 722262984 /nfs/dbraw/zinc/26/29/84/722262984.db2.gz QTCMYPPVGRWSQC-HSZRJFAPSA-N 1 0 458.969 2.664 20 0 JFADRO Cc1nc(S(=O)(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c(Br)n1C ZINC000380852287 1059490430 /nfs/dbraw/zinc/49/04/30/1059490430.db2.gz CGHPJYLBEMVEBD-SJORKVTESA-N 1 0 453.406 2.634 20 0 JFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CCCN(c4ccccc4F)C3=O)cc2)CC1 ZINC001264017527 1059505712 /nfs/dbraw/zinc/50/57/12/1059505712.db2.gz NFSXHTBUQLAYTR-QFIPXVFZSA-N 1 0 453.562 2.568 20 0 JFADRO CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C34CCC[NH+]3CCC4)C2=O)cc1OC ZINC001264151091 1059529257 /nfs/dbraw/zinc/52/92/57/1059529257.db2.gz NSDMAXRBQRWXDI-CYVLTUHYSA-N 1 0 459.568 2.875 20 0 JFADRO COCCCn1nc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1=O ZINC001264293741 1059562539 /nfs/dbraw/zinc/56/25/39/1059562539.db2.gz UHHOVNAJDIAREX-UHFFFAOYSA-N 1 0 452.477 2.647 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001299742127 1059567212 /nfs/dbraw/zinc/56/72/12/1059567212.db2.gz CCXRDGAUCCCCJT-AREMUKBSSA-N 1 0 493.612 2.919 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001299742392 1059580295 /nfs/dbraw/zinc/58/02/95/1059580295.db2.gz DKGPJUOMLPVDEE-JXHRLWIKSA-N 1 0 478.663 2.505 20 0 JFADRO COc1cc(OC)cc(N2C[C@H](C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2=O)c1 ZINC001264462532 1059595409 /nfs/dbraw/zinc/59/54/09/1059595409.db2.gz HZGPTJOZDLMSJN-HXUWFJFHSA-N 1 0 451.567 2.880 20 0 JFADRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 ZINC001264572067 1059617200 /nfs/dbraw/zinc/61/72/00/1059617200.db2.gz MNILVCKNORROOW-KRWDZBQOSA-N 1 0 458.481 2.860 20 0 JFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Cc2cccc(OCC(=O)NC)c2)CC1 ZINC001264833283 1059700009 /nfs/dbraw/zinc/70/00/09/1059700009.db2.gz LOKROMNYHIGDTL-SFHVURJKSA-N 1 0 456.562 2.512 20 0 JFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1 ZINC001264860030 1059709259 /nfs/dbraw/zinc/70/92/59/1059709259.db2.gz COBTWYJJWCEPOG-NRFANRHFSA-N 1 0 454.527 2.553 20 0 JFADRO C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890955 1059719021 /nfs/dbraw/zinc/71/90/21/1059719021.db2.gz MNBNJENRAGRBDZ-ICSRJNTNSA-N 1 0 453.562 2.702 20 0 JFADRO CCCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC001265018871 1059752225 /nfs/dbraw/zinc/75/22/25/1059752225.db2.gz GZGDNXACYLKALO-SFHVURJKSA-N 1 0 455.559 2.509 20 0 JFADRO Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001265064041 1059760333 /nfs/dbraw/zinc/76/03/33/1059760333.db2.gz VSFSJMOCABTWHR-GOSISDBHSA-N 1 0 455.509 2.637 20 0 JFADRO CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nc1 ZINC001265064071 1059760442 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SKFFZZQGSFDXDF-NRFANRHFSA-N 1 0 491.640 2.573 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001286872804 1061281733 /nfs/dbraw/zinc/28/17/33/1061281733.db2.gz YJPMGICZMGHKCR-CEMLEFRQSA-N 1 0 460.667 2.672 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[NH+](C(C)C)C(C)C)[C@@H](C)C1 ZINC001286872881 1061282481 /nfs/dbraw/zinc/28/24/81/1061282481.db2.gz VHRAFIUIIHOIKN-OFVILXPXSA-N 1 0 478.682 2.885 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001286873389 1061286401 /nfs/dbraw/zinc/28/64/01/1061286401.db2.gz ZNIATKMTGIEYEI-AJTFRIOCSA-N 1 0 498.672 2.898 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001286873488 1061286771 /nfs/dbraw/zinc/28/67/71/1061286771.db2.gz HPXWQAWGXYOFOI-UHFFFAOYSA-N 1 0 486.418 2.814 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC001286874445 1061289240 /nfs/dbraw/zinc/28/92/40/1061289240.db2.gz QVQVKEMIOOCUDK-JKSUJKDBSA-N 1 0 478.439 2.825 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001286877486 1061295606 /nfs/dbraw/zinc/29/56/06/1061295606.db2.gz IQQAINSOKUDOFT-FQEVSTJZSA-N 1 0 454.623 2.838 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC001286879653 1061300766 /nfs/dbraw/zinc/30/07/66/1061300766.db2.gz HCYBFRYJFQMICQ-CNNODRBYSA-N 1 0 454.619 2.968 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286881995 1061308276 /nfs/dbraw/zinc/30/82/76/1061308276.db2.gz HYIAKRMSPSCACP-QYZOEREBSA-N 1 0 490.599 2.703 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001289700333 1061311795 /nfs/dbraw/zinc/31/17/95/1061311795.db2.gz GPEFKKVTUTWTCM-NFBKMPQASA-N 1 0 468.646 2.963 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCC[C@@H]3C)CC2)cc1 ZINC001289700603 1061312742 /nfs/dbraw/zinc/31/27/42/1061312742.db2.gz VWGCFOOFDYROOJ-NRFANRHFSA-N 1 0 495.672 2.742 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001286883554 1061314533 /nfs/dbraw/zinc/31/45/33/1061314533.db2.gz QCBZFVQTGVUZKD-UFYCRDLUSA-N 1 0 472.609 2.564 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001286884505 1061318948 /nfs/dbraw/zinc/31/89/48/1061318948.db2.gz QETADUKFSFNILG-NRFANRHFSA-N 1 0 491.640 2.700 20 0 JFADRO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286884653 1061320384 /nfs/dbraw/zinc/32/03/84/1061320384.db2.gz DTPSCWUBSMQSRE-QFIPXVFZSA-N 1 0 454.619 2.689 20 0 JFADRO Cc1ccc(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001289713447 1061320762 /nfs/dbraw/zinc/32/07/62/1061320762.db2.gz KWPHAVUAMMIIRJ-OAQYLSRUSA-N 1 0 476.647 2.562 20 0 JFADRO Cc1ccc(N2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC[N@H+](C)C(C)C)CC2=O)cc1 ZINC001289716472 1061323963 /nfs/dbraw/zinc/32/39/63/1061323963.db2.gz MKBAABTUWPCXIU-AREMUKBSSA-N 1 0 484.645 2.821 20 0 JFADRO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001286885645 1061324263 /nfs/dbraw/zinc/32/42/63/1061324263.db2.gz MDEMBNAWIQVJSF-WOJBJXKFSA-N 1 0 481.645 2.587 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2([NH+](C)C)CCOCC2)[C@@H](C)C1 ZINC001286886069 1061327016 /nfs/dbraw/zinc/32/70/16/1061327016.db2.gz VPRBGLKWOVISDR-NRFANRHFSA-N 1 0 484.645 2.642 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886557 1061329317 /nfs/dbraw/zinc/32/93/17/1061329317.db2.gz FRWJHZKDYDFJFN-RBBKRZOGSA-N 1 0 473.710 2.829 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286886600 1061329708 /nfs/dbraw/zinc/32/97/08/1061329708.db2.gz GBYSLMGQRILRHK-TUACAJSNSA-N 1 0 473.710 2.901 20 0 JFADRO CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@H]2C)CC1 ZINC001286886682 1061331039 /nfs/dbraw/zinc/33/10/39/1061331039.db2.gz HMPKZOYXFIHSJU-IRLDBZIGSA-N 1 0 459.683 2.655 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289725691 1061333332 /nfs/dbraw/zinc/33/33/32/1061333332.db2.gz IIXJEEXBMQNPJA-GMAHTHKFSA-N 1 0 484.645 2.857 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887570 1061337637 /nfs/dbraw/zinc/33/76/37/1061337637.db2.gz SPQDRXQOLUUEAZ-FYYLOGMGSA-N 1 0 459.683 2.656 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286888147 1061339671 /nfs/dbraw/zinc/33/96/71/1061339671.db2.gz KPDRGXBXMNEXLZ-KDURUIRLSA-N 1 0 488.608 2.553 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289735785 1061348286 /nfs/dbraw/zinc/34/82/86/1061348286.db2.gz SSOPUBDXFMVDPQ-HXOBKFHXSA-N 1 0 462.545 2.695 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289737413 1061349825 /nfs/dbraw/zinc/34/98/25/1061349825.db2.gz FCJBDIRYUYWTTK-XLIONFOSSA-N 1 0 467.618 2.581 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2CC(C)(C)O)cc1C ZINC001289739102 1061352267 /nfs/dbraw/zinc/35/22/67/1061352267.db2.gz HHCKGXLCKOOXQL-UHFFFAOYSA-N 1 0 497.688 2.913 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCS(C)(=O)=O)cc1C ZINC001289739116 1061352702 /nfs/dbraw/zinc/35/27/02/1061352702.db2.gz HTJZOBFEOHSRFG-QGZVFWFLSA-N 1 0 488.658 2.502 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001289740747 1061354950 /nfs/dbraw/zinc/35/49/50/1061354950.db2.gz PEZMXAWGYSCVRW-CTNGQTDRSA-N 1 0 481.645 2.935 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1C ZINC001289740778 1061355474 /nfs/dbraw/zinc/35/54/74/1061355474.db2.gz PXDVMXIYXNQBKD-FQEVSTJZSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001289743221 1061360103 /nfs/dbraw/zinc/36/01/03/1061360103.db2.gz KXRPXSXJVRQBHS-HXUWFJFHSA-N 1 0 484.645 2.998 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001289746327 1061363657 /nfs/dbraw/zinc/36/36/57/1061363657.db2.gz GWDUVCJMOQUHNH-SFTDATJTSA-N 1 0 470.618 2.873 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001289746750 1061364508 /nfs/dbraw/zinc/36/45/08/1061364508.db2.gz KKJGNECWAONKRE-IRLDBZIGSA-N 1 0 481.645 2.840 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289748089 1061367477 /nfs/dbraw/zinc/36/74/77/1061367477.db2.gz WXKJLHFHOPBGED-RADWXHQJSA-N 1 0 480.535 2.848 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748486 1061369057 /nfs/dbraw/zinc/36/90/57/1061369057.db2.gz RLJLLNSBJMZZAF-UXHICEINSA-N 1 0 455.607 2.681 20 0 JFADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)cc1 ZINC001289755735 1061378753 /nfs/dbraw/zinc/37/87/53/1061378753.db2.gz FYALTNZAVLNENE-SFTDATJTSA-N 1 0 496.660 2.811 20 0 JFADRO CS(=O)(=O)c1cc(Br)cc(C(=O)NC2CCN(c3cc[nH+]cc3)CC2)c1F ZINC001289760958 1061383327 /nfs/dbraw/zinc/38/33/27/1061383327.db2.gz CTOZOHSFFNJVFD-UHFFFAOYSA-N 1 0 456.337 2.786 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)cn1 ZINC001286899892 1061390932 /nfs/dbraw/zinc/39/09/32/1061390932.db2.gz YBZQPQRIYDTNDM-UHFFFAOYSA-N 1 0 455.607 2.526 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286900200 1061391365 /nfs/dbraw/zinc/39/13/65/1061391365.db2.gz AVSJHAJCPPLJBT-LIKPIUCQSA-N 1 0 473.666 2.623 20 0 JFADRO Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H](C3CC3)[NH+](C)C)CC2)cc1 ZINC001289769771 1061391522 /nfs/dbraw/zinc/39/15/22/1061391522.db2.gz UMBRDOBWVXOZNE-PGRDOPGGSA-N 1 0 490.674 2.585 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286900257 1061391780 /nfs/dbraw/zinc/39/17/80/1061391780.db2.gz CXXNZKKXPVZQOB-XTWGIRIWSA-N 1 0 464.618 2.964 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286900576 1061392484 /nfs/dbraw/zinc/39/24/84/1061392484.db2.gz IBRXDMOJGGHUBE-SWJGORSLSA-N 1 0 476.666 2.903 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286900768 1061392848 /nfs/dbraw/zinc/39/28/48/1061392848.db2.gz LBVJTVAIGJBQTN-HTAFUYNTSA-N 1 0 456.639 2.683 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001286900892 1061393280 /nfs/dbraw/zinc/39/32/80/1061393280.db2.gz LXAHDTQYWCFTMG-VNXZQDSDSA-N 1 0 483.661 2.769 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001289773149 1061393957 /nfs/dbraw/zinc/39/39/57/1061393957.db2.gz BIMYSYPYHCMFHB-JOCHJYFZSA-N 1 0 484.645 2.725 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001289773477 1061394697 /nfs/dbraw/zinc/39/46/97/1061394697.db2.gz OFYLPNKMPVNHNL-AABGKKOBSA-N 1 0 472.634 2.753 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286901946 1061395967 /nfs/dbraw/zinc/39/59/67/1061395967.db2.gz YDQVYAMEXYKNGJ-UHFFFAOYSA-N 1 0 483.661 2.767 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286903414 1061402707 /nfs/dbraw/zinc/40/27/07/1061402707.db2.gz BIJKBNCLAZZWEV-ICSRJNTNSA-N 1 0 482.633 2.541 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289782735 1061406503 /nfs/dbraw/zinc/40/65/03/1061406503.db2.gz LAHOXLLJYCPUER-QHCPKHFHSA-N 1 0 474.009 2.564 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289802172 1061438939 /nfs/dbraw/zinc/43/89/39/1061438939.db2.gz GRIGOGDINLKWNE-NLFFAJNJSA-N 1 0 454.619 2.988 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC001289802710 1061440049 /nfs/dbraw/zinc/44/00/49/1061440049.db2.gz NLQABYXXTKWRRZ-SFTDATJTSA-N 1 0 454.619 2.989 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(=O)NC(C)C)cc1C ZINC001289805239 1061441940 /nfs/dbraw/zinc/44/19/40/1061441940.db2.gz IYALRYSEPSFJRG-HSZRJFAPSA-N 1 0 497.688 2.603 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCSCC2)C1 ZINC001286908244 1061442667 /nfs/dbraw/zinc/44/26/67/1061442667.db2.gz HSONZTGDYAARNW-QGZVFWFLSA-N 1 0 493.475 2.861 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286908391 1061443767 /nfs/dbraw/zinc/44/37/67/1061443767.db2.gz ZRJIKKDZFDTUMW-HXUWFJFHSA-N 1 0 456.591 2.898 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCC(C)(C)O)cc1 ZINC001289805932 1061444670 /nfs/dbraw/zinc/44/46/70/1061444670.db2.gz UZXUAQJAYWXRSY-UHFFFAOYSA-N 1 0 457.619 2.875 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)n2CC(=O)N(C)C)cc1C ZINC001289806066 1061445891 /nfs/dbraw/zinc/44/58/91/1061445891.db2.gz YKEVXVHFECSDMA-NRFANRHFSA-N 1 0 454.619 2.874 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001286908601 1061446300 /nfs/dbraw/zinc/44/63/00/1061446300.db2.gz JMEVWWHFMXGJQN-JOCHJYFZSA-N 1 0 479.629 2.767 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289809199 1061453538 /nfs/dbraw/zinc/45/35/38/1061453538.db2.gz OJSHWMHJQRYXHU-YADHBBJMSA-N 1 0 475.659 2.909 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286910056 1061455207 /nfs/dbraw/zinc/45/52/07/1061455207.db2.gz LAEHUFQCXVUKIE-IBGZPJMESA-N 1 0 480.617 2.818 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001289810607 1061457022 /nfs/dbraw/zinc/45/70/22/1061457022.db2.gz VOJAYAQPPKARND-PGRDOPGGSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286910487 1061457293 /nfs/dbraw/zinc/45/72/93/1061457293.db2.gz CPYARFSCVXAYGG-NRFANRHFSA-N 1 0 497.669 2.727 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001286911711 1061464879 /nfs/dbraw/zinc/46/48/79/1061464879.db2.gz KQTWJFPMXNWRHY-XMMPIXPASA-N 1 0 497.688 2.544 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286912076 1061466607 /nfs/dbraw/zinc/46/66/07/1061466607.db2.gz JKINQNLIFGYMLD-ABSDTBQOSA-N 1 0 459.664 2.859 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001286913370 1061474279 /nfs/dbraw/zinc/47/42/79/1061474279.db2.gz PRCLPWAWEILFQG-DEOSSOPVSA-N 1 0 478.645 2.767 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCNC(=O)C(C)C)cc1C ZINC001289819542 1061479930 /nfs/dbraw/zinc/47/99/30/1061479930.db2.gz ZDGYDCHPAGQKFS-QHCPKHFHSA-N 1 0 498.672 2.795 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001289819447 1061480006 /nfs/dbraw/zinc/48/00/06/1061480006.db2.gz 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SXMCYOCOBPFLAJ-UHFFFAOYSA-N 1 0 464.618 2.870 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001286916097 1061497410 /nfs/dbraw/zinc/49/74/10/1061497410.db2.gz FKCOLKGVDXEPIJ-UHFFFAOYSA-N 1 0 480.455 2.881 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001286917977 1061504778 /nfs/dbraw/zinc/50/47/78/1061504778.db2.gz YHBKVJZKFPFEHZ-UHFFFAOYSA-N 1 0 456.635 2.960 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001286922440 1061522275 /nfs/dbraw/zinc/52/22/75/1061522275.db2.gz UHUBCMDAGPJDAT-NVQXNPDNSA-N 1 0 490.693 2.793 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286923827 1061527765 /nfs/dbraw/zinc/52/77/65/1061527765.db2.gz AMKCLYGNPUPTDP-SFHVURJKSA-N 1 0 456.591 2.614 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c(-c3cccnc3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001289855344 1061528304 /nfs/dbraw/zinc/52/83/04/1061528304.db2.gz BBMQQPHYYBFQCY-UHFFFAOYSA-N 1 0 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C[C@H]1C[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@@H+]1C ZINC001294202034 1061708431 /nfs/dbraw/zinc/70/84/31/1061708431.db2.gz PQVTWTYKWPDQML-QFBILLFUSA-N 1 0 459.568 2.861 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CCOCC(F)F)n1 ZINC001289985076 1061708576 /nfs/dbraw/zinc/70/85/76/1061708576.db2.gz FZYMIVPOLKUXFR-PMACEKPBSA-N 1 0 477.604 2.925 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CCOCC(F)F)n1 ZINC001289985077 1061708658 /nfs/dbraw/zinc/70/86/58/1061708658.db2.gz FZYMIVPOLKUXFR-WOJBJXKFSA-N 1 0 477.604 2.925 20 0 JFADRO CCCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001294204399 1061709153 /nfs/dbraw/zinc/70/91/53/1061709153.db2.gz SYLZYJWDHQHQEF-UHFFFAOYSA-N 1 0 477.657 2.935 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@]2(C)COCCO2)n1 ZINC001289985408 1061709652 /nfs/dbraw/zinc/70/96/52/1061709652.db2.gz KSACGKKGDQJYFA-JOCHJYFZSA-N 1 0 498.550 2.545 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2)CC1 ZINC001294207312 1061710771 /nfs/dbraw/zinc/71/07/71/1061710771.db2.gz XAHUYOBPACRHON-UHFFFAOYSA-N 1 0 465.606 2.656 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001294208460 1061710822 /nfs/dbraw/zinc/71/08/22/1061710822.db2.gz DIWJJIOJXGGWHZ-QFIPXVFZSA-N 1 0 454.619 2.878 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H]2CC(F)(F)CO2)n1 ZINC001289985827 1061710876 /nfs/dbraw/zinc/71/08/76/1061710876.db2.gz SDFCYOWVRKBGGB-GOSISDBHSA-N 1 0 450.534 2.620 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(Cc4cccc(F)c4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289986463 1061711739 /nfs/dbraw/zinc/71/17/39/1061711739.db2.gz XTSWBYLWDJPTMZ-UHFFFAOYSA-N 1 0 467.593 2.688 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001294208860 1061711793 /nfs/dbraw/zinc/71/17/93/1061711793.db2.gz KACASIPKCZYSGD-HXUWFJFHSA-N 1 0 462.664 2.667 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294209295 1061712341 /nfs/dbraw/zinc/71/23/41/1061712341.db2.gz QZIQOLATSINBIF-UHFFFAOYSA-N 1 0 470.666 2.885 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001289987991 1061712781 /nfs/dbraw/zinc/71/27/81/1061712781.db2.gz FVVBRDKWJPVRAV-HKUYNNGSSA-N 1 0 468.524 2.653 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001289987783 1061712966 /nfs/dbraw/zinc/71/29/66/1061712966.db2.gz CUXONYSDILDKPH-QGZVFWFLSA-N 1 0 454.497 2.527 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001294209869 1061713787 /nfs/dbraw/zinc/71/37/87/1061713787.db2.gz CCMQCCBZORUTPO-VWLOTQADSA-N 1 0 454.619 2.998 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001294210368 1061714032 /nfs/dbraw/zinc/71/40/32/1061714032.db2.gz KRJROXMEBPCONB-UHFFFAOYSA-N 1 0 469.634 2.501 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001289990637 1061714944 /nfs/dbraw/zinc/71/49/44/1061714944.db2.gz BATCGJAZCPQZHY-FCHUYYIVSA-N 1 0 472.634 2.636 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001294210734 1061715848 /nfs/dbraw/zinc/71/58/48/1061715848.db2.gz OHXXHCLAKQCWMX-UHFFFAOYSA-N 1 0 481.645 2.517 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 ZINC001294211937 1061717158 /nfs/dbraw/zinc/71/71/58/1061717158.db2.gz WPNUSDXPVLPWFQ-OAQYLSRUSA-N 1 0 492.690 2.976 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001294212175 1061717737 /nfs/dbraw/zinc/71/77/37/1061717737.db2.gz ZSWXLCCUDANZSX-UHFFFAOYSA-N 1 0 495.672 2.907 20 0 JFADRO Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001289997488 1061721052 /nfs/dbraw/zinc/72/10/52/1061721052.db2.gz FVVOTPNCNLRBLL-FCHUYYIVSA-N 1 0 454.619 2.913 20 0 JFADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)C2)c1 ZINC001290001213 1061724828 /nfs/dbraw/zinc/72/48/28/1061724828.db2.gz KCPRISNLPYEFHV-JOCHJYFZSA-N 1 0 468.646 2.954 20 0 JFADRO Cc1cccc([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001290002688 1061728537 /nfs/dbraw/zinc/72/85/37/1061728537.db2.gz VBUNRLDKLPZUKR-FPOVZHCZSA-N 1 0 462.664 2.921 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001286959535 1061729640 /nfs/dbraw/zinc/72/96/40/1061729640.db2.gz XWOOWORRPGFNTO-QHCPKHFHSA-N 1 0 489.045 2.869 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001294219203 1061730192 /nfs/dbraw/zinc/73/01/92/1061730192.db2.gz WMRGDIZTPGDPQE-FQEVSTJZSA-N 1 0 453.595 2.514 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CCC)C(=O)C1 ZINC001294219618 1061731174 /nfs/dbraw/zinc/73/11/74/1061731174.db2.gz ZVDZWYUYGGKXSP-UHFFFAOYSA-N 1 0 456.591 2.854 20 0 JFADRO O=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001290007546 1061731256 /nfs/dbraw/zinc/73/12/56/1061731256.db2.gz IJUKRNLDQDLJJD-JOCHJYFZSA-N 1 0 455.427 2.668 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(=O)OC)CC1 ZINC001294223594 1061733603 /nfs/dbraw/zinc/73/36/03/1061733603.db2.gz HUFFZGTXFWVBTE-UHFFFAOYSA-N 1 0 467.574 2.715 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294225065 1061735970 /nfs/dbraw/zinc/73/59/70/1061735970.db2.gz ACAKUQGSOOUKAL-KBMIEXCESA-N 1 0 491.681 2.826 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 ZINC001294225718 1061737572 /nfs/dbraw/zinc/73/75/72/1061737572.db2.gz GTDUORCNFJKLSL-RBUKOAKNSA-N 1 0 466.627 2.544 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001294227091 1061740428 /nfs/dbraw/zinc/74/04/28/1061740428.db2.gz AAGHEWJLBWAZAN-UHFFFAOYSA-N 1 0 451.575 2.551 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001294227131 1061741050 /nfs/dbraw/zinc/74/10/50/1061741050.db2.gz ATHBPKYSESIIEI-GHTZIAJQSA-N 1 0 461.680 2.523 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001294228659 1061744021 /nfs/dbraw/zinc/74/40/21/1061744021.db2.gz GKEJSIRGJRZQKN-HSALFYBXSA-N 1 0 489.665 2.592 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001294228470 1061744101 /nfs/dbraw/zinc/74/41/01/1061744101.db2.gz GFTMKRDLPNFXLO-UHFFFAOYSA-N 1 0 474.675 2.562 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294228715 1061744734 /nfs/dbraw/zinc/74/47/34/1061744734.db2.gz HWJQJOSHHIHQFD-UHFFFAOYSA-N 1 0 457.545 2.765 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCOC[C@H]3C)CC2)c1 ZINC001290033137 1061749117 /nfs/dbraw/zinc/74/91/17/1061749117.db2.gz BFTARONDGYMOQZ-IFMALSPDSA-N 1 0 454.619 2.720 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCOC[C@@H]3C)CC2)c1 ZINC001290033139 1061749158 /nfs/dbraw/zinc/74/91/58/1061749158.db2.gz BFTARONDGYMOQZ-RBBKRZOGSA-N 1 0 454.619 2.720 20 0 JFADRO COc1ccc(C(=O)NCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC001294239297 1061751330 /nfs/dbraw/zinc/75/13/30/1061751330.db2.gz OPXUTSCTCSYCDD-SANMLTNESA-N 1 0 451.567 2.948 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(F)(F)C3)CC2)c1 ZINC001290034701 1061751244 /nfs/dbraw/zinc/75/12/44/1061751244.db2.gz XCVHIOIMOIMKAD-QUCCMNQESA-N 1 0 496.628 2.954 20 0 JFADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001290037181 1061753019 /nfs/dbraw/zinc/75/30/19/1061753019.db2.gz GFXCVHVJRXHKFA-FGZHOGPDSA-N 1 0 483.661 2.551 20 0 JFADRO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973164 1061758923 /nfs/dbraw/zinc/75/89/23/1061758923.db2.gz ZWYNRFIUTKPAOP-FQEVSTJZSA-N 1 0 459.683 2.656 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001290047751 1061767862 /nfs/dbraw/zinc/76/78/62/1061767862.db2.gz UFVSQIJLSAWQFX-HXUWFJFHSA-N 1 0 463.648 2.908 20 0 JFADRO CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294282001 1061773448 /nfs/dbraw/zinc/77/34/48/1061773448.db2.gz WBBOISKVAPLIHL-FCHUYYIVSA-N 1 0 490.674 2.512 20 0 JFADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001294287863 1061775431 /nfs/dbraw/zinc/77/54/31/1061775431.db2.gz RSCGFXVBBUKMSW-GGAORHGYSA-N 1 0 456.635 2.683 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001286976578 1061784894 /nfs/dbraw/zinc/78/48/94/1061784894.db2.gz PCLGPHISMQUQIR-JYRKZWEQSA-N 1 0 469.696 2.940 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001286976590 1061785088 /nfs/dbraw/zinc/78/50/88/1061785088.db2.gz PCLGPHISMQUQIR-YXYSEUPNSA-N 1 0 469.696 2.940 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC(=O)N2CCOCC2)c1 ZINC001290062611 1061785012 /nfs/dbraw/zinc/78/50/12/1061785012.db2.gz AWDLEQXHJASMST-UHFFFAOYSA-N 1 0 484.645 2.581 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290064444 1061789041 /nfs/dbraw/zinc/78/90/41/1061789041.db2.gz QYKNMPHYWPRZOS-HSZRJFAPSA-N 1 0 497.644 2.662 20 0 JFADRO CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC001294303711 1061790690 /nfs/dbraw/zinc/79/06/90/1061790690.db2.gz FMJADWMTUHYQRK-QFIPXVFZSA-N 1 0 470.666 2.573 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C[NH+](C)C ZINC001286977664 1061791344 /nfs/dbraw/zinc/79/13/44/1061791344.db2.gz SHFGQLPJRLXFOG-MBOZVWFJSA-N 1 0 479.647 2.636 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294304896 1061792159 /nfs/dbraw/zinc/79/21/59/1061792159.db2.gz CAAQPEBJOFUDES-JOCHJYFZSA-N 1 0 473.666 2.616 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCN2CC=CCC2)c1 ZINC001290069186 1061793061 /nfs/dbraw/zinc/79/30/61/1061793061.db2.gz ARVCGLKMSBKLSV-QFIPXVFZSA-N 1 0 473.643 2.831 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCN2CCOCC2(C)C)c1 ZINC001290069187 1061793167 /nfs/dbraw/zinc/79/31/67/1061793167.db2.gz AUPSCQONXNXVCB-UHFFFAOYSA-N 1 0 498.672 2.971 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001294308426 1061795849 /nfs/dbraw/zinc/79/58/49/1061795849.db2.gz KPSWJBGCYMFQNN-DHIUTWEWSA-N 1 0 453.635 2.590 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294308550 1061796675 /nfs/dbraw/zinc/79/66/75/1061796675.db2.gz RFYHSCYZGCTGRO-QFIPXVFZSA-N 1 0 475.682 2.910 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 ZINC001294308967 1061797778 /nfs/dbraw/zinc/79/77/78/1061797778.db2.gz XJXSQLBKHGKVHZ-LJQANCHMSA-N 1 0 490.603 2.967 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286978374 1061797964 /nfs/dbraw/zinc/79/79/64/1061797964.db2.gz JFAQPHZMUVLDQF-XFQAVAEZSA-N 1 0 469.652 2.779 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001294309359 1061798627 /nfs/dbraw/zinc/79/86/27/1061798627.db2.gz VXIGVHDTWFSVFQ-HBMCJLEFSA-N 1 0 496.722 2.674 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294309611 1061799782 /nfs/dbraw/zinc/79/97/82/1061799782.db2.gz CBEQXKWVKIALHN-MOPGFXCFSA-N 1 0 450.653 2.808 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001294309614 1061800135 /nfs/dbraw/zinc/80/01/35/1061800135.db2.gz CBEQXKWVKIALHN-RTBURBONSA-N 1 0 450.653 2.808 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294310668 1061801427 /nfs/dbraw/zinc/80/14/27/1061801427.db2.gz ISLDIRGPSFHPRG-YADHBBJMSA-N 1 0 484.645 2.950 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294310666 1061801531 /nfs/dbraw/zinc/80/15/31/1061801531.db2.gz ISLDIRGPSFHPRG-VXKWHMMOSA-N 1 0 484.645 2.950 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294310742 1061801854 /nfs/dbraw/zinc/80/18/54/1061801854.db2.gz JAUOAZZRUOINSC-NHCUHLMSSA-N 1 0 491.706 2.704 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294311677 1061802263 /nfs/dbraw/zinc/80/22/63/1061802263.db2.gz NOSAOIHLZYXCNX-FQEVSTJZSA-N 1 0 456.639 2.790 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311802 1061802584 /nfs/dbraw/zinc/80/25/84/1061802584.db2.gz OSDAYWAZBVOMET-RBBKRZOGSA-N 1 0 496.722 2.735 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312094 1061803083 /nfs/dbraw/zinc/80/30/83/1061803083.db2.gz UBYLFGZRDUJPEZ-FQEVSTJZSA-N 1 0 477.679 2.693 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312322 1061803800 /nfs/dbraw/zinc/80/38/00/1061803800.db2.gz YMFWYXYJUPLJHS-VXKWHMMOSA-N 1 0 487.693 2.967 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001290078021 1061807039 /nfs/dbraw/zinc/80/70/39/1061807039.db2.gz PQJXZIXYJFVROL-QFIPXVFZSA-N 1 0 484.645 2.723 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCOC(C)(C)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001290078020 1061807289 /nfs/dbraw/zinc/80/72/89/1061807289.db2.gz PQJXZIXYJFVROL-JOCHJYFZSA-N 1 0 484.645 2.723 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001294315526 1061807286 /nfs/dbraw/zinc/80/72/86/1061807286.db2.gz KCEATAXXNZNBKU-BQJUDKOJSA-N 1 0 467.680 2.839 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286979564 1061808141 /nfs/dbraw/zinc/80/81/41/1061808141.db2.gz VQUWFABLLGWYSG-HYFFOGBASA-N 1 0 499.678 2.691 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001294315673 1061808089 /nfs/dbraw/zinc/80/80/89/1061808089.db2.gz COUPAPPLOSJJAL-FDFHNCONSA-N 1 0 487.693 2.767 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294316536 1061810551 /nfs/dbraw/zinc/81/05/51/1061810551.db2.gz HFHNEODVKCGAPM-OFVILXPXSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294316534 1061810718 /nfs/dbraw/zinc/81/07/18/1061810718.db2.gz HFHNEODVKCGAPM-BWKNWUBXSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294316809 1061811427 /nfs/dbraw/zinc/81/14/27/1061811427.db2.gz IBLXNDACHGEMMC-YNJKOYDBSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294317470 1061814081 /nfs/dbraw/zinc/81/40/81/1061814081.db2.gz KXSDTXRIDLVCTB-RBUKOAKNSA-N 1 0 487.674 2.591 20 0 JFADRO Cc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCCC(C)(C)C1)C2 ZINC001290085642 1061817375 /nfs/dbraw/zinc/81/73/75/1061817375.db2.gz VYTFKSDFHQHAEQ-LJQANCHMSA-N 1 0 474.675 2.881 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001294318455 1061817485 /nfs/dbraw/zinc/81/74/85/1061817485.db2.gz SAPMIJVSOXYKFH-HXUWFJFHSA-N 1 0 470.618 2.799 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC2)C1 ZINC001294318749 1061819419 /nfs/dbraw/zinc/81/94/19/1061819419.db2.gz WOLVERNVMQHRCW-VQTJNVASSA-N 1 0 482.633 2.542 20 0 JFADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001286982404 1061826800 /nfs/dbraw/zinc/82/68/00/1061826800.db2.gz SNUQRMGHKRGHDC-WOJBJXKFSA-N 1 0 473.666 2.626 20 0 JFADRO Cc1ccccc1[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290095441 1061827474 /nfs/dbraw/zinc/82/74/74/1061827474.db2.gz NPHHDYYAEWKUTA-LEWJYISDSA-N 1 0 454.619 2.753 20 0 JFADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286983237 1061834114 /nfs/dbraw/zinc/83/41/14/1061834114.db2.gz XVYXUXFYSGXABG-YPAWHYETSA-N 1 0 490.693 2.540 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001290106890 1061834616 /nfs/dbraw/zinc/83/46/16/1061834616.db2.gz GETGLKSTSZEPJV-SFHVURJKSA-N 1 0 462.645 2.603 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1CCCCC1 ZINC001286983458 1061835697 /nfs/dbraw/zinc/83/56/97/1061835697.db2.gz VZYRYURCUKEWNM-RTBURBONSA-N 1 0 491.658 2.850 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001294327807 1061843962 /nfs/dbraw/zinc/84/39/62/1061843962.db2.gz XIZFMXGBIBSDNT-XUVXKRRUSA-N 1 0 454.623 2.741 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001290128207 1061859302 /nfs/dbraw/zinc/85/93/02/1061859302.db2.gz ACQTWOSHOSPRFR-UHFFFAOYSA-N 1 0 467.662 2.728 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290128215 1061859335 /nfs/dbraw/zinc/85/93/35/1061859335.db2.gz AOZVLTVZSCPOJF-QHCPKHFHSA-N 1 0 481.689 2.832 20 0 JFADRO C[C@@H](Oc1ccccc1Br)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001294332795 1061861332 /nfs/dbraw/zinc/86/13/32/1061861332.db2.gz SQDOBLHOEDRUMY-OAHLLOKOSA-N 1 0 454.409 2.959 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCNS(C)(=O)=O ZINC001290129254 1061861754 /nfs/dbraw/zinc/86/17/54/1061861754.db2.gz JAEAPLVFOZBNAK-GOSISDBHSA-N 1 0 460.648 2.503 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286986456 1061862379 /nfs/dbraw/zinc/86/23/79/1061862379.db2.gz PGWHRLIREFFMLH-NRFANRHFSA-N 1 0 486.636 2.719 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC001294334014 1061865528 /nfs/dbraw/zinc/86/55/28/1061865528.db2.gz MEAWLFYUHMXGGU-UHFFFAOYSA-N 1 0 456.429 2.757 20 0 JFADRO CCN1C(=O)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H]1c1cccc(C)c1 ZINC001294335469 1061870087 /nfs/dbraw/zinc/87/00/87/1061870087.db2.gz ZSPMRRSIGSWNMO-URXFXBBRSA-N 1 0 456.631 2.647 20 0 JFADRO CCN1C(=O)C[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H]1c1cccc(C)c1 ZINC001294335468 1061870174 /nfs/dbraw/zinc/87/01/74/1061870174.db2.gz ZSPMRRSIGSWNMO-QPPBQGQZSA-N 1 0 456.631 2.647 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)[NH+](C)C)C1 ZINC001294336034 1061873681 /nfs/dbraw/zinc/87/36/81/1061873681.db2.gz HBSPONGTNYWEHG-AZUAARDMSA-N 1 0 470.618 2.799 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001290146333 1061886873 /nfs/dbraw/zinc/88/68/73/1061886873.db2.gz XMVQWKXMMDQDKS-LJQANCHMSA-N 1 0 459.660 2.921 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294341583 1061889247 /nfs/dbraw/zinc/88/92/47/1061889247.db2.gz ICDPHSMCXPDJID-FPOVZHCZSA-N 1 0 470.666 2.932 20 0 JFADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001290146706 1061889265 /nfs/dbraw/zinc/88/92/65/1061889265.db2.gz YHEHWBHMMQPNEW-UNMCSNQZSA-N 1 0 475.659 2.797 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001294343133 1061894936 /nfs/dbraw/zinc/89/49/36/1061894936.db2.gz VHNVVOWYUUFURZ-JPYJTQIMSA-N 1 0 459.664 2.843 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290164563 1061904722 /nfs/dbraw/zinc/90/47/22/1061904722.db2.gz CVZILJKLXPHFQR-QFIPXVFZSA-N 1 0 476.691 2.672 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290164741 1061905867 /nfs/dbraw/zinc/90/58/67/1061905867.db2.gz WKZKLCXEVOTUQS-HSZRJFAPSA-N 1 0 468.646 2.626 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290165105 1061906552 /nfs/dbraw/zinc/90/65/52/1061906552.db2.gz MRJFJPNKFOTMAQ-OAQYLSRUSA-N 1 0 482.673 2.887 20 0 JFADRO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001286998125 1061910588 /nfs/dbraw/zinc/91/05/88/1061910588.db2.gz LAYWTVDXOYGJSI-HXUWFJFHSA-N 1 0 454.619 2.800 20 0 JFADRO CC(C)(C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001286998370 1061911133 /nfs/dbraw/zinc/91/11/33/1061911133.db2.gz QWDGZRKFRUSEPG-OAQYLSRUSA-N 1 0 480.455 2.926 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCNS(C)(=O)=O ZINC001290168333 1061911904 /nfs/dbraw/zinc/91/19/04/1061911904.db2.gz WZGJMGODAQIBEY-QFIPXVFZSA-N 1 0 488.702 2.819 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001294348883 1061911898 /nfs/dbraw/zinc/91/18/98/1061911898.db2.gz ISXUYXGRISCGKT-NRFANRHFSA-N 1 0 473.666 2.566 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001290171530 1061915726 /nfs/dbraw/zinc/91/57/26/1061915726.db2.gz XPTJCQYAHYZQDF-OAQYLSRUSA-N 1 0 459.660 2.923 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001290172495 1061916406 /nfs/dbraw/zinc/91/64/06/1061916406.db2.gz BJCPJGBUGJSGQT-UHFFFAOYSA-N 1 0 485.702 2.856 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001287001315 1061916715 /nfs/dbraw/zinc/91/67/15/1061916715.db2.gz XXNHPOAWXQXFTP-UHFFFAOYSA-N 1 0 454.619 2.804 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001287004211 1061921809 /nfs/dbraw/zinc/92/18/09/1061921809.db2.gz GAGRCIFUSMDUDO-FCHUYYIVSA-N 1 0 489.686 2.594 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001290176442 1061924179 /nfs/dbraw/zinc/92/41/79/1061924179.db2.gz KOUUGELZFYUQJS-HXUWFJFHSA-N 1 0 488.683 2.623 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001287006576 1061927046 /nfs/dbraw/zinc/92/70/46/1061927046.db2.gz GVNDVAWJOMZBFX-UHFFFAOYSA-N 1 0 472.609 2.709 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001294358242 1061927985 /nfs/dbraw/zinc/92/79/85/1061927985.db2.gz NOPYABSFNOYNDL-IBGZPJMESA-N 1 0 454.623 2.600 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001287007586 1061931037 /nfs/dbraw/zinc/93/10/37/1061931037.db2.gz UWYLRNHKKSYPGV-UHFFFAOYSA-N 1 0 454.619 2.570 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001294359424 1061931536 /nfs/dbraw/zinc/93/15/36/1061931536.db2.gz QACHPGIGYCWMEU-UHFFFAOYSA-N 1 0 487.649 2.726 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1cccc(OCC(N)=O)c1 ZINC001287008713 1061935748 /nfs/dbraw/zinc/93/57/48/1061935748.db2.gz JVHVRDBAHOGMMK-UHFFFAOYSA-N 1 0 454.619 2.943 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2F)CC1 ZINC001290195980 1061937502 /nfs/dbraw/zinc/93/75/02/1061937502.db2.gz GTCJYFUBLMHACG-UHFFFAOYSA-N 1 0 481.576 2.660 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccs2)CC1 ZINC001290196385 1061937555 /nfs/dbraw/zinc/93/75/55/1061937555.db2.gz IDTMFAXXORXNOV-GOSISDBHSA-N 1 0 474.656 2.629 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294371291 1061939898 /nfs/dbraw/zinc/93/98/98/1061939898.db2.gz MJBVAPCROBXJQG-AVRWGWEMSA-N 1 0 470.618 2.942 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294371293 1061939957 /nfs/dbraw/zinc/93/99/57/1061939957.db2.gz MJBVAPCROBXJQG-CJAUYULYSA-N 1 0 470.618 2.942 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287010270 1061940947 /nfs/dbraw/zinc/94/09/47/1061940947.db2.gz JMZFOYCDMNUZRG-HXUWFJFHSA-N 1 0 466.696 2.702 20 0 JFADRO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294375743 1061948940 /nfs/dbraw/zinc/94/89/40/1061948940.db2.gz BPYHCBNXBFLWEP-AUSIDOKSSA-N 1 0 469.634 2.588 20 0 JFADRO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294375746 1061949623 /nfs/dbraw/zinc/94/96/23/1061949623.db2.gz BPYHCBNXBFLWEP-XXBNENTESA-N 1 0 469.634 2.588 20 0 JFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)C1 ZINC001294385811 1061957867 /nfs/dbraw/zinc/95/78/67/1061957867.db2.gz OGWRNDGTBNMXHJ-LJQANCHMSA-N 1 0 451.608 2.997 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(Cn3ccnn3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287023115 1061964169 /nfs/dbraw/zinc/96/41/69/1061964169.db2.gz GPAFDIWNUASFGA-NRFANRHFSA-N 1 0 458.655 2.612 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001287023795 1061965550 /nfs/dbraw/zinc/96/55/50/1061965550.db2.gz HFMPBQYMSVOEOJ-UHFFFAOYSA-N 1 0 469.696 2.629 20 0 JFADRO CCCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294408955 1061974630 /nfs/dbraw/zinc/97/46/30/1061974630.db2.gz NASPCZBBXPHXTL-FCHUYYIVSA-N 1 0 481.707 2.945 20 0 JFADRO CC1=CCCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001290243314 1061984483 /nfs/dbraw/zinc/98/44/83/1061984483.db2.gz DNMDUYRKNPJJBC-DEOSSOPVSA-N 1 0 460.623 2.616 20 0 JFADRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001294427552 1061987057 /nfs/dbraw/zinc/98/70/57/1061987057.db2.gz LFIHFXDXWIOGLI-OAHLLOKOSA-N 1 0 458.340 2.629 20 0 JFADRO CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001290250109 1061988785 /nfs/dbraw/zinc/98/87/85/1061988785.db2.gz DZITWEXRODCHSC-QZTJIDSGSA-N 1 0 464.661 2.943 20 0 JFADRO CC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001290250111 1061988829 /nfs/dbraw/zinc/98/88/29/1061988829.db2.gz DZITWEXRODCHSC-ZWKOTPCHSA-N 1 0 464.661 2.943 20 0 JFADRO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001290254049 1061990616 /nfs/dbraw/zinc/99/06/16/1061990616.db2.gz MJGAXZAQLJNCHV-LJQANCHMSA-N 1 0 458.632 2.836 20 0 JFADRO CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001294442985 1061993533 /nfs/dbraw/zinc/99/35/33/1061993533.db2.gz SHUCMOYBARSWSM-FCHUYYIVSA-N 1 0 490.674 2.603 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001294453691 1061998463 /nfs/dbraw/zinc/99/84/63/1061998463.db2.gz DCZNBUQODSWFGX-OAQYLSRUSA-N 1 0 469.634 2.913 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287034751 1061998841 /nfs/dbraw/zinc/99/88/41/1061998841.db2.gz VKMQCPKXTOIOFS-FQEVSTJZSA-N 1 0 484.636 2.524 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC001290270680 1061999714 /nfs/dbraw/zinc/99/97/14/1061999714.db2.gz BDRQSVZWRHJOBG-QFIPXVFZSA-N 1 0 484.693 2.940 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](CC(C)C)[NH+](C)C)CC2)c1 ZINC001290272352 1062002658 /nfs/dbraw/zinc/00/26/58/1062002658.db2.gz PQWGXFRXUXYAGL-NRFANRHFSA-N 1 0 458.655 2.814 20 0 JFADRO Cc1cnn([C@H]2CCCN(c3nnc(CN4CCCC4=O)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001290272569 1062002822 /nfs/dbraw/zinc/00/28/22/1062002822.db2.gz QUUOUPZROMJVLE-LEWJYISDSA-N 1 0 456.639 2.723 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2C)C1 ZINC001294460012 1062007463 /nfs/dbraw/zinc/00/74/63/1062007463.db2.gz ADWSWRUKSIJAEF-INIZCTEOSA-N 1 0 458.998 2.952 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294460030 1062007790 /nfs/dbraw/zinc/00/77/90/1062007790.db2.gz AKWGKRHWBJKYKU-MOPGFXCFSA-N 1 0 491.658 2.565 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(=O)NC)C1 ZINC001294460404 1062008009 /nfs/dbraw/zinc/00/80/09/1062008009.db2.gz ZUCDEAGZBBQHDF-HNNXBMFYSA-N 1 0 480.455 2.976 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3C[C@H](C)[NH+](C)C)CCO2)c1 ZINC001290279258 1062008677 /nfs/dbraw/zinc/00/86/77/1062008677.db2.gz JIPJHEZKZHUVNM-ZCNNSNEGSA-N 1 0 471.581 2.918 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 ZINC001294460970 1062009406 /nfs/dbraw/zinc/00/94/06/1062009406.db2.gz OWYXQYYYLSMVQF-FQEVSTJZSA-N 1 0 454.619 2.704 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)C1 ZINC001294460971 1062009988 /nfs/dbraw/zinc/00/99/88/1062009988.db2.gz OWYXQYYYLSMVQF-HXUWFJFHSA-N 1 0 454.619 2.704 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001294461702 1062011007 /nfs/dbraw/zinc/01/10/07/1062011007.db2.gz BSTMDICVVMALSF-IBGZPJMESA-N 1 0 456.639 2.638 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@H]4CCCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001290280933 1062011338 /nfs/dbraw/zinc/01/13/38/1062011338.db2.gz VIZHWIFDGDRTNQ-FDFHNCONSA-N 1 0 459.639 2.906 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001287042237 1062011478 /nfs/dbraw/zinc/01/14/78/1062011478.db2.gz FYVVTGDWPMGWLN-SFHVURJKSA-N 1 0 485.599 2.814 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287042150 1062011781 /nfs/dbraw/zinc/01/17/81/1062011781.db2.gz ATNGSWYIIFULNM-UHFFFAOYSA-N 1 0 499.641 2.528 20 0 JFADRO Cc1cnn(C[C@H]2CN(c3nnc(Cc4ccccc4F)n3CC[N@@H+](C)C(C)C)CCO2)c1 ZINC001290281266 1062012040 /nfs/dbraw/zinc/01/20/40/1062012040.db2.gz XPKYMWSJRPQLIF-OAQYLSRUSA-N 1 0 455.582 2.759 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 ZINC001294462874 1062012547 /nfs/dbraw/zinc/01/25/47/1062012547.db2.gz MUNZFRCJGNFKID-INIZCTEOSA-N 1 0 468.524 2.800 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(O)CCOC2)CC1 ZINC001287042506 1062012999 /nfs/dbraw/zinc/01/29/99/1062012999.db2.gz BGPOWJJCQKNZAW-QFIPXVFZSA-N 1 0 451.518 2.618 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001287042855 1062013202 /nfs/dbraw/zinc/01/32/02/1062013202.db2.gz JBAKFBWCVJATNU-UHFFFAOYSA-N 1 0 468.627 2.854 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287043465 1062015237 /nfs/dbraw/zinc/01/52/37/1062015237.db2.gz DQDOLJROFOXUAQ-HXUWFJFHSA-N 1 0 475.659 2.739 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCNS(C)(=O)=O)CC1 ZINC001287043910 1062016876 /nfs/dbraw/zinc/01/68/76/1062016876.db2.gz DGCMMCUETQSLFZ-UHFFFAOYSA-N 1 0 487.095 2.694 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287043959 1062017598 /nfs/dbraw/zinc/01/75/98/1062017598.db2.gz BYCZKDXOEHUMQE-HXUWFJFHSA-N 1 0 475.659 2.957 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467787 1062017572 /nfs/dbraw/zinc/01/75/72/1062017572.db2.gz JDHBLIBIQKTRAR-WOJBJXKFSA-N 1 0 455.607 2.879 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)C1 ZINC001294467852 1062017721 /nfs/dbraw/zinc/01/77/21/1062017721.db2.gz JYROISXTIKJCDN-WAOWUJCRSA-N 1 0 455.694 2.634 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468116 1062018122 /nfs/dbraw/zinc/01/81/22/1062018122.db2.gz KUYYVRBGWQXMEK-HUUCEWRRSA-N 1 0 469.599 2.601 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468115 1062018357 /nfs/dbraw/zinc/01/83/57/1062018357.db2.gz KUYYVRBGWQXMEK-GJZGRUSLSA-N 1 0 469.599 2.601 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294468337 1062018655 /nfs/dbraw/zinc/01/86/55/1062018655.db2.gz MRUDVQCKBQDRKD-LPHOPBHVSA-N 1 0 496.534 2.637 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468738 1062018706 /nfs/dbraw/zinc/01/87/06/1062018706.db2.gz PBPAVIWDRMKTDY-SFTDATJTSA-N 1 0 462.639 2.819 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468981 1062019957 /nfs/dbraw/zinc/01/99/57/1062019957.db2.gz SHCHATGCRKOMKC-RBBKRZOGSA-N 1 0 454.619 2.748 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001294469603 1062022483 /nfs/dbraw/zinc/02/24/83/1062022483.db2.gz CCISUUPYRYGMSW-NLFFAJNJSA-N 1 0 454.619 2.812 20 0 JFADRO CC(C)(C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001287045273 1062023037 /nfs/dbraw/zinc/02/30/37/1062023037.db2.gz LGPNOQPPRODOCF-UHFFFAOYSA-N 1 0 481.670 2.995 20 0 JFADRO CCCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001294471954 1062025646 /nfs/dbraw/zinc/02/56/46/1062025646.db2.gz FNTCGXOOXDTDKW-UHFFFAOYSA-N 1 0 477.617 2.747 20 0 JFADRO CC(C)(C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001287046054 1062026400 /nfs/dbraw/zinc/02/64/00/1062026400.db2.gz PXDJLEOULYKKKX-UHFFFAOYSA-N 1 0 481.670 2.995 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294474159 1062026591 /nfs/dbraw/zinc/02/65/91/1062026591.db2.gz NLKRJIBAEHIHRJ-ROUUACIJSA-N 1 0 481.613 2.750 20 0 JFADRO 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COc1cccc([C@H](CNC(=O)c2ccc(OC)c(I)n2)[NH+](C)C)c1 ZINC001290308278 1062034978 /nfs/dbraw/zinc/03/49/78/1062034978.db2.gz DFFVICDMTKITFT-HNNXBMFYSA-N 1 0 455.296 2.736 20 0 JFADRO CC(C)(C)NC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001287048499 1062038638 /nfs/dbraw/zinc/03/86/38/1062038638.db2.gz YAMORNAZJYQRDL-UHFFFAOYSA-N 1 0 497.688 2.540 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001294505215 1062040310 /nfs/dbraw/zinc/04/03/10/1062040310.db2.gz IOFXKHYSIKQAMQ-UHFFFAOYSA-N 1 0 487.624 2.640 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001294505791 1062042093 /nfs/dbraw/zinc/04/20/93/1062042093.db2.gz NDRZWBZHVBARMI-UHFFFAOYSA-N 1 0 490.612 2.620 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294506004 1062042379 /nfs/dbraw/zinc/04/23/79/1062042379.db2.gz DYXQKNHBEXTALI-UHFFFAOYSA-N 1 0 454.575 2.718 20 0 JFADRO 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CCC[NH+]1CCC(Cn2c(Cc3ccccn3)nnc2N2CCN(C(=O)OCC)CC2)CC1 ZINC001294664853 1062217367 /nfs/dbraw/zinc/21/73/67/1062217367.db2.gz XADGWBLAZOCVGF-UHFFFAOYSA-N 1 0 455.607 2.664 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294665215 1062217426 /nfs/dbraw/zinc/21/74/26/1062217426.db2.gz YEWPBCAPHAJJEK-LJQANCHMSA-N 1 0 457.598 2.591 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666155 1062218786 /nfs/dbraw/zinc/21/87/86/1062218786.db2.gz AMCPZYKBEAUXEP-IBGZPJMESA-N 1 0 458.582 2.820 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001294666558 1062220020 /nfs/dbraw/zinc/22/00/20/1062220020.db2.gz GDJSJHILTFKWEW-UHFFFAOYSA-N 1 0 450.628 2.851 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667400 1062222078 /nfs/dbraw/zinc/22/20/78/1062222078.db2.gz ZPGDKGGYULRHOG-WOJBJXKFSA-N 1 0 491.658 2.611 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCN(C(=O)COC)CC2)CC1 ZINC001294667562 1062223162 /nfs/dbraw/zinc/22/31/62/1062223162.db2.gz BCSRMXHATVYJIR-UHFFFAOYSA-N 1 0 484.645 2.583 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)CC1 ZINC001294668988 1062225181 /nfs/dbraw/zinc/22/51/81/1062225181.db2.gz JDCRYSRPDZOLLM-UHFFFAOYSA-N 1 0 468.631 2.818 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670078 1062226129 /nfs/dbraw/zinc/22/61/29/1062226129.db2.gz OOIGERSRQNAQAR-NHCUHLMSSA-N 1 0 487.693 2.511 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294670092 1062226502 /nfs/dbraw/zinc/22/65/02/1062226502.db2.gz OSYYKVFIPQGMLW-RTWAWAEBSA-N 1 0 454.619 2.908 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@H](CNC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001294670208 1062226558 /nfs/dbraw/zinc/22/65/58/1062226558.db2.gz PRUYTNPQSFDETH-OZXSUGGESA-N 1 0 490.693 2.793 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(CCOC)CC2)C1 ZINC001294671028 1062229425 /nfs/dbraw/zinc/22/94/25/1062229425.db2.gz VTUKILUNKCTSRO-BHDDXSALSA-N 1 0 462.683 2.697 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294675012 1062235058 /nfs/dbraw/zinc/23/50/58/1062235058.db2.gz DJSGGMNGXZMRAG-GJBXTBEHSA-N 1 0 481.707 2.931 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2sc(C)nc2C)CC1 ZINC001294675613 1062237038 /nfs/dbraw/zinc/23/70/38/1062237038.db2.gz LHSZEZGSGUSMRP-MRXNPFEDSA-N 1 0 483.708 2.515 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CCOC2)CC1 ZINC001294676119 1062237440 /nfs/dbraw/zinc/23/74/40/1062237440.db2.gz ZUFNDBFKILTUAH-NRFANRHFSA-N 1 0 481.439 2.508 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC(C)C)CC1 ZINC001294676360 1062238019 /nfs/dbraw/zinc/23/80/19/1062238019.db2.gz BCLZOMBAWYPGAH-UHFFFAOYSA-N 1 0 490.674 2.574 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc4cccnc43)n2CCS(C)(=O)=O)CC1 ZINC001294676823 1062238039 /nfs/dbraw/zinc/23/80/39/1062238039.db2.gz DNTXLHDFIHFOJK-UHFFFAOYSA-N 1 0 456.616 2.849 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)CC1 ZINC001294682806 1062240779 /nfs/dbraw/zinc/24/07/79/1062240779.db2.gz IWHNMKIQTLAXDG-PZJWPPBQSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)CC1 ZINC001294683099 1062241991 /nfs/dbraw/zinc/24/19/91/1062241991.db2.gz LGRSKYQAXRJOGT-NRFANRHFSA-N 1 0 496.722 2.892 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001294683529 1062242447 /nfs/dbraw/zinc/24/24/47/1062242447.db2.gz IDGXGPXUQBGODU-QGZVFWFLSA-N 1 0 466.556 2.930 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)CC1 ZINC001294683770 1062243639 /nfs/dbraw/zinc/24/36/39/1062243639.db2.gz RKUZQSDULRJEPN-FQEVSTJZSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294686353 1062246973 /nfs/dbraw/zinc/24/69/73/1062246973.db2.gz OQAYAXHETKDUQJ-UHFFFAOYSA-N 1 0 470.666 2.709 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294692376 1062252195 /nfs/dbraw/zinc/25/21/95/1062252195.db2.gz ARVQTCNRGFEJPB-RTWAWAEBSA-N 1 0 482.633 2.542 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001294693862 1062253332 /nfs/dbraw/zinc/25/33/32/1062253332.db2.gz IKSBAAAXBFBYCJ-LEWJYISDSA-N 1 0 496.660 2.883 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001294694168 1062253803 /nfs/dbraw/zinc/25/38/03/1062253803.db2.gz JKMHRBADMPPCLT-JOCHJYFZSA-N 1 0 460.648 2.503 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 ZINC001294694972 1062255540 /nfs/dbraw/zinc/25/55/40/1062255540.db2.gz XCKVIIVSMVOJES-UHFFFAOYSA-N 1 0 488.608 2.556 20 0 JFADRO Cc1nc(CN2CCCN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2)no1 ZINC001290468690 1062256044 /nfs/dbraw/zinc/25/60/44/1062256044.db2.gz QSDJUZQWVYSGAZ-LJQANCHMSA-N 1 0 460.627 2.511 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001294695339 1062256092 /nfs/dbraw/zinc/25/60/92/1062256092.db2.gz ZYYPLBMVPPVKNR-NRFANRHFSA-N 1 0 467.618 2.514 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)cs1 ZINC001290469269 1062258282 /nfs/dbraw/zinc/25/82/82/1062258282.db2.gz XFJPLQXCVHSNGC-HXUWFJFHSA-N 1 0 488.706 2.624 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294697588 1062259503 /nfs/dbraw/zinc/25/95/03/1062259503.db2.gz HZWUOXVCMHKCQL-GGAORHGYSA-N 1 0 496.704 2.950 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294698074 1062259984 /nfs/dbraw/zinc/25/99/84/1062259984.db2.gz WQHZATVJTAZRLO-PDOGEWKWSA-N 1 0 459.639 2.871 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698840 1062262510 /nfs/dbraw/zinc/26/25/10/1062262510.db2.gz ZOTFLGZVUGYOLK-XLIONFOSSA-N 1 0 466.627 2.928 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OC)C1 ZINC001294699471 1062263395 /nfs/dbraw/zinc/26/33/95/1062263395.db2.gz OCICWQFXXGBFLR-WOJBJXKFSA-N 1 0 461.632 2.838 20 0 JFADRO Cc1nc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290474420 1062264965 /nfs/dbraw/zinc/26/49/65/1062264965.db2.gz KXTWYTBBWPMTNE-SJLPKXTDSA-N 1 0 452.650 2.627 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)s1 ZINC001290481165 1062271033 /nfs/dbraw/zinc/27/10/33/1062271033.db2.gz RTADBDQMPLWOAJ-WMZOPIPTSA-N 1 0 466.677 2.846 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001294707390 1062271169 /nfs/dbraw/zinc/27/11/69/1062271169.db2.gz OBAQQCPHEKBJCS-JOCHJYFZSA-N 1 0 459.683 2.676 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294707726 1062271907 /nfs/dbraw/zinc/27/19/07/1062271907.db2.gz AIOBDAOTUODWEQ-RTBURBONSA-N 1 0 458.582 2.962 20 0 JFADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC001290486061 1062274042 /nfs/dbraw/zinc/27/40/42/1062274042.db2.gz IJOUWCFUGZXUGB-CLJLJLNGSA-N 1 0 462.638 2.995 20 0 JFADRO CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1)[NH+]1CCCCC1 ZINC001287089950 1062280188 /nfs/dbraw/zinc/28/01/88/1062280188.db2.gz BLPINFZEPHHJNS-UHFFFAOYSA-N 1 0 475.659 2.822 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294713245 1062285553 /nfs/dbraw/zinc/28/55/53/1062285553.db2.gz VTRGGFPRIHCHAC-DCLXLUIPSA-N 1 0 463.623 2.584 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)CC2)s1 ZINC001290496723 1062286719 /nfs/dbraw/zinc/28/67/19/1062286719.db2.gz QODVNXCMWLTMJR-UHFFFAOYSA-N 1 0 456.664 2.959 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1C(C)(C)C ZINC001294713631 1062287204 /nfs/dbraw/zinc/28/72/04/1062287204.db2.gz XVLAWIYWHQFVOL-LJQANCHMSA-N 1 0 456.639 2.965 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290497038 1062287439 /nfs/dbraw/zinc/28/74/39/1062287439.db2.gz TVMDADLMCVSQME-WOJBJXKFSA-N 1 0 461.680 2.845 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294713763 1062288368 /nfs/dbraw/zinc/28/83/68/1062288368.db2.gz ZYWOUNMSLDCCMN-VQTJNVASSA-N 1 0 470.618 2.832 20 0 JFADRO CC(C)(Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C(N)=O)C1)C(F)(F)F ZINC001287093906 1062292717 /nfs/dbraw/zinc/29/27/17/1062292717.db2.gz PIOBTDPGSJEUFL-GOSISDBHSA-N 1 0 493.578 2.543 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001294720122 1062294414 /nfs/dbraw/zinc/29/44/14/1062294414.db2.gz IKZHYECSHWWOLW-LVXARBLLSA-N 1 0 490.693 2.888 20 0 JFADRO CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)cn2c1 ZINC001294723034 1062301573 /nfs/dbraw/zinc/30/15/73/1062301573.db2.gz NAKLKFBLFJMUOK-IBGZPJMESA-N 1 0 457.575 2.686 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001294725104 1062307875 /nfs/dbraw/zinc/30/78/75/1062307875.db2.gz RQVKYFKXUYQVBA-RTBURBONSA-N 1 0 490.052 2.942 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[NH+]2CCCC2)CC1=O ZINC001294725593 1062308681 /nfs/dbraw/zinc/30/86/81/1062308681.db2.gz ZTXFPPIZYQSBPP-UHFFFAOYSA-N 1 0 470.618 2.897 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC001294728839 1062309462 /nfs/dbraw/zinc/30/94/62/1062309462.db2.gz BIJRNDBSCVOUEP-UNMCSNQZSA-N 1 0 481.645 2.589 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC001294728837 1062309576 /nfs/dbraw/zinc/30/95/76/1062309576.db2.gz BIJRNDBSCVOUEP-RBBKRZOGSA-N 1 0 481.645 2.589 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1=O ZINC001294732814 1062313733 /nfs/dbraw/zinc/31/37/33/1062313733.db2.gz HSNYZBJQWNOKFR-QFIPXVFZSA-N 1 0 454.619 2.731 20 0 JFADRO CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001287102592 1062313884 /nfs/dbraw/zinc/31/38/84/1062313884.db2.gz OJIDVPFFGZLNJJ-VXKWHMMOSA-N 1 0 457.667 2.865 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001294733028 1062314101 /nfs/dbraw/zinc/31/41/01/1062314101.db2.gz JYOPKBNJDOLWJM-YADHBBJMSA-N 1 0 460.667 2.989 20 0 JFADRO Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001290517171 1062317085 /nfs/dbraw/zinc/31/70/85/1062317085.db2.gz AMFFJQQHTUDELK-QFIPXVFZSA-N 1 0 464.618 2.580 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001287108494 1062319028 /nfs/dbraw/zinc/31/90/28/1062319028.db2.gz CJOXRECZXWXMAI-UHFFFAOYSA-N 1 0 454.623 2.694 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1=O ZINC001294735269 1062319897 /nfs/dbraw/zinc/31/98/97/1062319897.db2.gz PNDGUDSBLFMNGE-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001287108734 1062320410 /nfs/dbraw/zinc/32/04/10/1062320410.db2.gz DIGNEIIRHALTSQ-VQTJNVASSA-N 1 0 458.607 2.763 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287109014 1062321059 /nfs/dbraw/zinc/32/10/59/1062321059.db2.gz DXRUFFXVJBLFJH-HXUWFJFHSA-N 1 0 472.609 2.626 20 0 JFADRO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001294740198 1062323895 /nfs/dbraw/zinc/32/38/95/1062323895.db2.gz MOJHLLGSMNIEHF-SZPZYZBQSA-N 1 0 487.693 2.607 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001287110950 1062325975 /nfs/dbraw/zinc/32/59/75/1062325975.db2.gz XUHQLVYYWKZTTF-QHCPKHFHSA-N 1 0 468.646 2.999 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)CC1=O ZINC001294743640 1062332814 /nfs/dbraw/zinc/33/28/14/1062332814.db2.gz SQHGMPVUESOBOS-BGYRXZFFSA-N 1 0 489.665 2.593 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCCC[C@H]2CC)CC1=O ZINC001294743914 1062333956 /nfs/dbraw/zinc/33/39/56/1062333956.db2.gz ZMTGIRPBGBNNPR-XJUOHMSHSA-N 1 0 476.666 2.715 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001287114125 1062335564 /nfs/dbraw/zinc/33/55/64/1062335564.db2.gz REYLIFKLYILTCZ-UHFFFAOYSA-N 1 0 494.482 2.939 20 0 JFADRO Cc1nccnc1CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001290536834 1062336653 /nfs/dbraw/zinc/33/66/53/1062336653.db2.gz WLOHRONJNAYVIG-BGYRXZFFSA-N 1 0 484.649 2.920 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@H]1CC ZINC001294745167 1062337831 /nfs/dbraw/zinc/33/78/31/1062337831.db2.gz KCUTXQFKGKJHNN-GHTZIAJQSA-N 1 0 456.591 2.552 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001294750912 1062339900 /nfs/dbraw/zinc/33/99/00/1062339900.db2.gz ROTGZMUVAREAKA-FQEVSTJZSA-N 1 0 471.625 2.605 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294752985 1062341527 /nfs/dbraw/zinc/34/15/27/1062341527.db2.gz FGPYKXMRVXVPJM-BJLQDIEVSA-N 1 0 470.622 2.959 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001294753189 1062342094 /nfs/dbraw/zinc/34/20/94/1062342094.db2.gz ILOWJTXGVPPSOC-MJGOQNOKSA-N 1 0 471.631 2.992 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001294753591 1062342144 /nfs/dbraw/zinc/34/21/44/1062342144.db2.gz OOSIJCDFKLOGGI-FPOVZHCZSA-N 1 0 470.666 2.932 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC001294753594 1062342247 /nfs/dbraw/zinc/34/22/47/1062342247.db2.gz OPNKACOTRZMZIF-CEXWTWQISA-N 1 0 485.599 2.814 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294754417 1062343414 /nfs/dbraw/zinc/34/34/14/1062343414.db2.gz CVMNINQRZHPUGG-BBTUJRGHSA-N 1 0 477.631 2.534 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294754426 1062344070 /nfs/dbraw/zinc/34/40/70/1062344070.db2.gz CVMNINQRZHPUGG-WFXMLNOXSA-N 1 0 477.631 2.534 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294754962 1062344867 /nfs/dbraw/zinc/34/48/67/1062344867.db2.gz LJTLLCAJKGTTFY-IBGZPJMESA-N 1 0 495.719 2.627 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294754742 1062344948 /nfs/dbraw/zinc/34/49/48/1062344948.db2.gz IMHZXCCXZUVLRD-QFIPXVFZSA-N 1 0 472.609 2.614 20 0 JFADRO CS(=O)(=O)NC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2nccs2)CCCCC1 ZINC001290545980 1062345333 /nfs/dbraw/zinc/34/53/33/1062345333.db2.gz NEJRDNFMGYAEAN-WOJBJXKFSA-N 1 0 476.668 2.727 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(Cc2ccsc2)n1CCC[NH+]1CCC(O)CC1 ZINC001290547070 1062346760 /nfs/dbraw/zinc/34/67/60/1062346760.db2.gz IIXRAGRZEHMLJV-UHFFFAOYSA-N 1 0 457.648 2.764 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294758615 1062349651 /nfs/dbraw/zinc/34/96/51/1062349651.db2.gz YQUOHEUBWICFOP-VNXZQDSDSA-N 1 0 470.666 2.898 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294760088 1062349884 /nfs/dbraw/zinc/34/98/84/1062349884.db2.gz JWHXFFAQQKGICL-ISJBWFOZSA-N 1 0 490.693 2.936 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290549393 1062352044 /nfs/dbraw/zinc/35/20/44/1062352044.db2.gz JLHSPJIJBCJECN-GOSISDBHSA-N 1 0 470.666 2.898 20 0 JFADRO O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001290553368 1062355604 /nfs/dbraw/zinc/35/56/04/1062355604.db2.gz AWJWVWSRBCKRTI-RDGATRHJSA-N 1 0 452.555 2.953 20 0 JFADRO CCCn1nc(-c2nnc(N(C)C[C@H](C)CC)n2C[C@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001294765901 1062356929 /nfs/dbraw/zinc/35/69/29/1062356929.db2.gz ZHUCXTBQDILRAA-CJAUYULYSA-N 1 0 467.618 2.614 20 0 JFADRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)CC)n2C[C@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001294765899 1062357059 /nfs/dbraw/zinc/35/70/59/1062357059.db2.gz ZHUCXTBQDILRAA-BVZFJXPGSA-N 1 0 467.618 2.614 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C1 ZINC001287119330 1062357744 /nfs/dbraw/zinc/35/77/44/1062357744.db2.gz HSOPYPWETZHKPD-LJQANCHMSA-N 1 0 490.649 2.786 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001287120754 1062364622 /nfs/dbraw/zinc/36/46/22/1062364622.db2.gz SSFARGCZFQPKGV-HXUWFJFHSA-N 1 0 456.639 2.684 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001287120994 1062365701 /nfs/dbraw/zinc/36/57/01/1062365701.db2.gz TYFISNHDLIQBEI-FQEVSTJZSA-N 1 0 496.660 2.787 20 0 JFADRO CCCn1nc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H](C)OC)c2ccccc2c1=O ZINC001294770508 1062368821 /nfs/dbraw/zinc/36/88/21/1062368821.db2.gz GGSKWRKDKZBYOW-IBGZPJMESA-N 1 0 467.618 2.878 20 0 JFADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C)COC)c2ccccc2c1=O ZINC001294770586 1062369359 /nfs/dbraw/zinc/36/93/59/1062369359.db2.gz IKIHYTQPSOUYPA-LJQANCHMSA-N 1 0 467.618 2.878 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001290567167 1062369999 /nfs/dbraw/zinc/36/99/99/1062369999.db2.gz VPDUJMHBGRFTEN-KRWDZBQOSA-N 1 0 454.598 2.707 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001287121912 1062370220 /nfs/dbraw/zinc/37/02/20/1062370220.db2.gz KDSDXUPYPKVCCY-GGAORHGYSA-N 1 0 495.672 2.806 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001294771169 1062370338 /nfs/dbraw/zinc/37/03/38/1062370338.db2.gz NRWVMKIRYYFLQX-UXHICEINSA-N 1 0 481.645 2.621 20 0 JFADRO CCCn1nc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294771972 1062372133 /nfs/dbraw/zinc/37/21/33/1062372133.db2.gz WMZGEBYYBCIVMS-IAGOWNOFSA-N 1 0 455.632 2.957 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](F)COC)c2ccccc2c1=O ZINC001294771940 1062372214 /nfs/dbraw/zinc/37/22/14/1062372214.db2.gz VPNALFSLXLPBQF-IBGZPJMESA-N 1 0 485.608 2.970 20 0 JFADRO Cc1cc(Cn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)n(C)n1 ZINC001290569606 1062372259 /nfs/dbraw/zinc/37/22/59/1062372259.db2.gz ALJLCHRZFRSDDR-GHTZIAJQSA-N 1 0 453.639 2.919 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)c1 ZINC001294775579 1062374615 /nfs/dbraw/zinc/37/46/15/1062374615.db2.gz CVTOBOHRFYNDDR-UHFFFAOYSA-N 1 0 468.646 2.966 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)[NH+](C)C)C1 ZINC001287122889 1062374980 /nfs/dbraw/zinc/37/49/80/1062374980.db2.gz HXCLEKUFIJCHQJ-ROUUACIJSA-N 1 0 456.591 2.613 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001287124799 1062384343 /nfs/dbraw/zinc/38/43/43/1062384343.db2.gz KFCQDXXHTQTEDZ-QFIPXVFZSA-N 1 0 476.629 2.856 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287125140 1062385690 /nfs/dbraw/zinc/38/56/90/1062385690.db2.gz LNEFMDHZJCJKOH-FQEVSTJZSA-N 1 0 460.667 2.771 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290581314 1062386303 /nfs/dbraw/zinc/38/63/03/1062386303.db2.gz IJFYQWVQFNULCJ-HXUWFJFHSA-N 1 0 459.643 2.585 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2CCOCC2)C1 ZINC001294787747 1062392365 /nfs/dbraw/zinc/39/23/65/1062392365.db2.gz AVRKPRKOAFLQCM-FQEVSTJZSA-N 1 0 458.607 2.702 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001294788224 1062393751 /nfs/dbraw/zinc/39/37/51/1062393751.db2.gz DIGVCCTUOOAMNV-TZIWHRDSSA-N 1 0 471.650 2.615 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001290586679 1062396769 /nfs/dbraw/zinc/39/67/69/1062396769.db2.gz OSDSAUWBCPMBTN-PMACEKPBSA-N 1 0 479.695 2.662 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001290586379 1062396862 /nfs/dbraw/zinc/39/68/62/1062396862.db2.gz LETNSZILZWXWKR-LJQANCHMSA-N 1 0 499.689 2.907 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001294789622 1062397903 /nfs/dbraw/zinc/39/79/03/1062397903.db2.gz MNEQPVOLUKGOFD-UNMCSNQZSA-N 1 0 485.677 2.863 20 0 JFADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789769 1062398211 /nfs/dbraw/zinc/39/82/11/1062398211.db2.gz RZABMOYOCZNHDF-ZJSXRUAMSA-N 1 0 451.567 2.790 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294790588 1062403186 /nfs/dbraw/zinc/40/31/86/1062403186.db2.gz IUTBHCFLPXUJKF-OAQYLSRUSA-N 1 0 454.619 2.799 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001294791504 1062408285 /nfs/dbraw/zinc/40/82/85/1062408285.db2.gz NNDVPWQDFRWXMA-AZUAARDMSA-N 1 0 451.575 2.979 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001294791506 1062409402 /nfs/dbraw/zinc/40/94/02/1062409402.db2.gz NNDVPWQDFRWXMA-ICSRJNTNSA-N 1 0 451.575 2.979 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H]2CCCCO2)n1 ZINC001290594333 1062415244 /nfs/dbraw/zinc/41/52/44/1062415244.db2.gz RKJRDAZWDWOCGO-OAQYLSRUSA-N 1 0 459.639 2.503 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(C(C)C)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001287131821 1062426844 /nfs/dbraw/zinc/42/68/44/1062426844.db2.gz VXNAWAVZABTMPQ-UHFFFAOYSA-N 1 0 456.635 2.615 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnc(C(C)C)nc3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001290600264 1062431364 /nfs/dbraw/zinc/43/13/64/1062431364.db2.gz QCYQEBRHKWIXQF-UHFFFAOYSA-N 1 0 495.676 2.925 20 0 JFADRO 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CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001287133401 1062441616 /nfs/dbraw/zinc/44/16/16/1062441616.db2.gz SMBKDVFRKCMSAE-UHFFFAOYSA-N 1 0 478.645 2.921 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001294801470 1062444021 /nfs/dbraw/zinc/44/40/21/1062444021.db2.gz BTXCINTVICOPOI-SFTDATJTSA-N 1 0 465.602 2.902 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCC(F)(F)F)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001290606520 1062447060 /nfs/dbraw/zinc/44/70/60/1062447060.db2.gz BXARALBIYDORRT-UHFFFAOYSA-N 1 0 470.588 2.802 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001294802679 1062447087 /nfs/dbraw/zinc/44/70/87/1062447087.db2.gz GVRSISNFSYJDHG-UNMCSNQZSA-N 1 0 453.635 2.738 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001287134661 1062453646 /nfs/dbraw/zinc/45/36/46/1062453646.db2.gz VMSDYEWYBZNYSH-CEWLAPEOSA-N 1 0 460.667 2.889 20 0 JFADRO 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Cc1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1CC(=O)NCC(F)(F)F ZINC001290810795 1062710968 /nfs/dbraw/zinc/71/09/68/1062710968.db2.gz SHIWKTJCVURCBP-UHFFFAOYSA-N 1 0 450.509 2.758 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294935884 1062713839 /nfs/dbraw/zinc/71/38/39/1062713839.db2.gz ROXUZSJEYVNJIR-DQEYMECFSA-N 1 0 473.618 2.814 20 0 JFADRO CN1CC[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@H](c2ccccc2)C1 ZINC001290821175 1062716000 /nfs/dbraw/zinc/71/60/00/1062716000.db2.gz UGHCLZUESGFDCZ-DEOSSOPVSA-N 1 0 455.624 2.979 20 0 JFADRO CC(C)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287229647 1062717681 /nfs/dbraw/zinc/71/76/81/1062717681.db2.gz WRIVUDPEXBQOGF-SFHVURJKSA-N 1 0 450.628 2.740 20 0 JFADRO Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001290824224 1062718669 /nfs/dbraw/zinc/71/86/69/1062718669.db2.gz NTWFOKXEWONZQR-HSZRJFAPSA-N 1 0 474.675 2.729 20 0 JFADRO Cc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001290824893 1062719055 /nfs/dbraw/zinc/71/90/55/1062719055.db2.gz RYLMBHKHYUPYNR-NHCUHLMSSA-N 1 0 464.655 2.907 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001287231165 1062719677 /nfs/dbraw/zinc/71/96/77/1062719677.db2.gz DIVKLVNGRJPWDH-QHAWAJNXSA-N 1 0 496.722 2.604 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001294939733 1062722262 /nfs/dbraw/zinc/72/22/62/1062722262.db2.gz YXKDLTVBMXAWDQ-UYAOXDASSA-N 1 0 470.618 2.894 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCC[N@@H+]2CCC)cc1OC ZINC001294940223 1062725207 /nfs/dbraw/zinc/72/52/07/1062725207.db2.gz OIPLVPPTOITVDU-HXUWFJFHSA-N 1 0 470.618 2.943 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940651 1062726788 /nfs/dbraw/zinc/72/67/88/1062726788.db2.gz SXDCGJLCFJHHML-FQEVSTJZSA-N 1 0 470.618 2.942 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001294941197 1062727255 /nfs/dbraw/zinc/72/72/55/1062727255.db2.gz XBVZRNMBUMXOPP-LEWJYISDSA-N 1 0 486.661 2.994 20 0 JFADRO CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001294948628 1062734615 /nfs/dbraw/zinc/73/46/15/1062734615.db2.gz DJCCOQRYJJWQRW-LJQANCHMSA-N 1 0 490.674 2.790 20 0 JFADRO Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290851670 1062735561 /nfs/dbraw/zinc/73/55/61/1062735561.db2.gz DGMVLJUNHQAZOS-KDURUIRLSA-N 1 0 472.609 2.505 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287252975 1062735661 /nfs/dbraw/zinc/73/56/61/1062735661.db2.gz NLVAGOMGGWBQJF-LEWJYISDSA-N 1 0 475.659 2.678 20 0 JFADRO CCCOc1ccc(Cn2c(C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1OC ZINC001294950406 1062737312 /nfs/dbraw/zinc/73/73/12/1062737312.db2.gz WPJXLQFOASBOBR-UHFFFAOYSA-N 1 0 453.591 2.878 20 0 JFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCO1 ZINC001287263980 1062738665 /nfs/dbraw/zinc/73/86/65/1062738665.db2.gz HWFHYHIZMSQKHP-QZTJIDSGSA-N 1 0 453.530 2.709 20 0 JFADRO CC(C)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001287265913 1062743117 /nfs/dbraw/zinc/74/31/17/1062743117.db2.gz YLOUFDDSELXUCN-UNMCSNQZSA-N 1 0 496.722 2.748 20 0 JFADRO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC001290859068 1062743377 /nfs/dbraw/zinc/74/33/77/1062743377.db2.gz BZGQYVODIKXOBB-XMMPIXPASA-N 1 0 452.599 2.798 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 ZINC001290859020 1062743514 /nfs/dbraw/zinc/74/35/14/1062743514.db2.gz APHJTBFAWAYGBO-UHFFFAOYSA-N 1 0 455.990 2.937 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001290859994 1062744315 /nfs/dbraw/zinc/74/43/15/1062744315.db2.gz NHYHLFLPWORSIA-UHFFFAOYSA-N 1 0 454.562 2.990 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001290860207 1062744781 /nfs/dbraw/zinc/74/47/81/1062744781.db2.gz XZXFSSZBFIZYRE-VWLOTQADSA-N 1 0 454.590 2.653 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)CC1 ZINC001290862589 1062746380 /nfs/dbraw/zinc/74/63/80/1062746380.db2.gz RAOBNSZPSDEGRH-UHFFFAOYSA-N 1 0 450.562 2.970 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290868455 1062751242 /nfs/dbraw/zinc/75/12/42/1062751242.db2.gz YIJFJKHYONVYGR-YPAWHYETSA-N 1 0 473.710 2.724 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290869978 1062754445 /nfs/dbraw/zinc/75/44/45/1062754445.db2.gz NVMPMQOYNIDXIC-IEXUWNMDSA-N 1 0 485.652 2.845 20 0 JFADRO CCCOc1cccc(CCn2c(C)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972880 1062755292 /nfs/dbraw/zinc/75/52/92/1062755292.db2.gz OJQBKKXTEZZHKX-CJFMBICVSA-N 1 0 468.646 2.997 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870452 1062755932 /nfs/dbraw/zinc/75/59/32/1062755932.db2.gz SZGRPGYYRVUUQX-PGRDOPGGSA-N 1 0 453.002 2.921 20 0 JFADRO Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001290871783 1062757673 /nfs/dbraw/zinc/75/76/73/1062757673.db2.gz JICGNZHVDAKOLO-NQIIRXRSSA-N 1 0 458.607 2.698 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001287284437 1062759558 /nfs/dbraw/zinc/75/95/58/1062759558.db2.gz XMSUIPJZHNGNDX-WOJBJXKFSA-N 1 0 459.664 2.794 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001290877424 1062762130 /nfs/dbraw/zinc/76/21/30/1062762130.db2.gz WBPYEOGDKMFRGC-LJQANCHMSA-N 1 0 461.680 2.620 20 0 JFADRO Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290877367 1062762568 /nfs/dbraw/zinc/76/25/68/1062762568.db2.gz URMYGFZEWXATJO-SFTDATJTSA-N 1 0 462.639 2.925 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001287287933 1062762829 /nfs/dbraw/zinc/76/28/29/1062762829.db2.gz OZBJOUVKGXMPKH-VQTJNVASSA-N 1 0 451.681 2.985 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001290879051 1062763217 /nfs/dbraw/zinc/76/32/17/1062763217.db2.gz MMYMCVQPBWAURS-UHFFFAOYSA-N 1 0 478.638 2.891 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290887422 1062766279 /nfs/dbraw/zinc/76/62/79/1062766279.db2.gz FAWHIEFKMFEMQW-SFTDATJTSA-N 1 0 479.000 2.900 20 0 JFADRO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCCC[NH+]1CCCCC1 ZINC001290887344 1062766344 /nfs/dbraw/zinc/76/63/44/1062766344.db2.gz KOTVSKLPAUHNLJ-FQEVSTJZSA-N 1 0 450.628 2.973 20 0 JFADRO CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294982480 1062766820 /nfs/dbraw/zinc/76/68/20/1062766820.db2.gz PMTMVGQFMGIAFA-HXUWFJFHSA-N 1 0 452.607 2.902 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290887570 1062766824 /nfs/dbraw/zinc/76/68/24/1062766824.db2.gz FYSCZKBQYOTWGG-YLJYHZDGSA-N 1 0 464.408 2.774 20 0 JFADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC001290890264 1062768173 /nfs/dbraw/zinc/76/81/73/1062768173.db2.gz BNCVYMVHRHYDAD-UZUQRXQVSA-N 1 0 451.546 2.794 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001290901537 1062773528 /nfs/dbraw/zinc/77/35/28/1062773528.db2.gz BSMIBPIMRWSCGU-HKUYNNGSSA-N 1 0 456.595 2.947 20 0 JFADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001287306034 1062776879 /nfs/dbraw/zinc/77/68/79/1062776879.db2.gz IPSFEHUBDRDBEE-ONTIZHBOSA-N 1 0 460.667 2.671 20 0 JFADRO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC001294989299 1062777323 /nfs/dbraw/zinc/77/73/23/1062777323.db2.gz QWFZZDFLKRJIPE-UHFFFAOYSA-N 1 0 459.612 2.867 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001294988989 1062777349 /nfs/dbraw/zinc/77/73/49/1062777349.db2.gz HPKGISRRZYBBPJ-IBGZPJMESA-N 1 0 451.633 2.523 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001294998677 1062785472 /nfs/dbraw/zinc/78/54/72/1062785472.db2.gz OGSNUUHGESBGLY-RTBURBONSA-N 1 0 464.680 2.842 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001287318376 1062789291 /nfs/dbraw/zinc/78/92/91/1062789291.db2.gz ACEUOKSKWFPONS-HXUWFJFHSA-N 1 0 484.649 2.596 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295002455 1062789409 /nfs/dbraw/zinc/78/94/09/1062789409.db2.gz OHMYMCKBJUMRAW-OALUTQOASA-N 1 0 455.669 2.554 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001287318769 1062789852 /nfs/dbraw/zinc/78/98/52/1062789852.db2.gz FFRVUZAKBRDMND-HSZRJFAPSA-N 1 0 485.652 2.952 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001287318947 1062790222 /nfs/dbraw/zinc/79/02/22/1062790222.db2.gz GCEBKWYPBTYFOE-UYAOXDASSA-N 1 0 456.639 2.738 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001295005820 1062792702 /nfs/dbraw/zinc/79/27/02/1062792702.db2.gz IBGPCXBHKQLNLY-VXKWHMMOSA-N 1 0 476.666 2.543 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)[NH+](C)C ZINC001287319658 1062793045 /nfs/dbraw/zinc/79/30/45/1062793045.db2.gz MPPABVARZRLUGF-PXDATVDWSA-N 1 0 472.609 2.727 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001287319678 1062793082 /nfs/dbraw/zinc/79/30/82/1062793082.db2.gz NDOKXWVMRUABFP-WOJBJXKFSA-N 1 0 491.681 2.936 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001287320851 1062795607 /nfs/dbraw/zinc/79/56/07/1062795607.db2.gz XZKXDDJVHPGDQJ-MOPGFXCFSA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001287320853 1062795698 /nfs/dbraw/zinc/79/56/98/1062795698.db2.gz XZKXDDJVHPGDQJ-RBUKOAKNSA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320939 1062796205 /nfs/dbraw/zinc/79/62/05/1062796205.db2.gz YSJHKLLINUULQZ-VAMGGRTRSA-N 1 0 491.681 2.840 20 0 JFADRO CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC3CC3)CC2)c1 ZINC001287320947 1062796781 /nfs/dbraw/zinc/79/67/81/1062796781.db2.gz YGDBFETUCLZQJD-UHFFFAOYSA-N 1 0 481.645 2.981 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287321286 1062797396 /nfs/dbraw/zinc/79/73/96/1062797396.db2.gz DQWOSBWUCXXWOM-IBGZPJMESA-N 1 0 474.631 2.749 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC001287321406 1062798033 /nfs/dbraw/zinc/79/80/33/1062798033.db2.gz GQTOKARHHRMWSV-MJUUVYJYSA-N 1 0 480.654 2.807 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287321651 1062799088 /nfs/dbraw/zinc/79/90/88/1062799088.db2.gz KTCJYGANANWLJC-OAQYLSRUSA-N 1 0 499.685 2.941 20 0 JFADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001287321636 1062799187 /nfs/dbraw/zinc/79/91/87/1062799187.db2.gz KQOYMEYYDGGTBA-JOCHJYFZSA-N 1 0 461.699 2.949 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287322335 1062800230 /nfs/dbraw/zinc/80/02/30/1062800230.db2.gz OZLMBDIPSAVSAI-OALUTQOASA-N 1 0 496.653 2.615 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328631 1062803418 /nfs/dbraw/zinc/80/34/18/1062803418.db2.gz JMBQWDIBEOKYLD-NLFFAJNJSA-N 1 0 467.618 2.736 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328723 1062803714 /nfs/dbraw/zinc/80/37/14/1062803714.db2.gz LEZFTWGQHOHMBK-GOTSBHOMSA-N 1 0 498.720 2.783 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001287329160 1062805251 /nfs/dbraw/zinc/80/52/51/1062805251.db2.gz RNYDUHCAHXTRPV-QUCCMNQESA-N 1 0 471.679 2.995 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(O)c2)CC1)[NH+](C)C ZINC001287329767 1062806170 /nfs/dbraw/zinc/80/61/70/1062806170.db2.gz HMNAWHSSBMONNX-FQEVSTJZSA-N 1 0 450.591 2.744 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001287329575 1062806285 /nfs/dbraw/zinc/80/62/85/1062806285.db2.gz GGIWLCHYXAKOKC-FQEVSTJZSA-N 1 0 480.661 2.613 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001287330198 1062807126 /nfs/dbraw/zinc/80/71/26/1062807126.db2.gz LITPVLIZUWHLOI-RTWAWAEBSA-N 1 0 475.588 2.810 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295015376 1062808817 /nfs/dbraw/zinc/80/88/17/1062808817.db2.gz RAVOAILFGOGNOS-QGZVFWFLSA-N 1 0 473.647 2.675 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001287332545 1062809542 /nfs/dbraw/zinc/80/95/42/1062809542.db2.gz KNDLYDJNSQMMSG-IFMALSPDSA-N 1 0 472.609 2.746 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287332748 1062810178 /nfs/dbraw/zinc/81/01/78/1062810178.db2.gz RMTBKWROQKTGRG-ZCNNSNEGSA-N 1 0 491.681 2.947 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001287334978 1062812576 /nfs/dbraw/zinc/81/25/76/1062812576.db2.gz TZTPVLJBPSDOTO-VXKWHMMOSA-N 1 0 454.619 2.721 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001287335706 1062813773 /nfs/dbraw/zinc/81/37/73/1062813773.db2.gz WLANFIITJBFOSV-VQTJNVASSA-N 1 0 491.658 2.564 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001287335967 1062814579 /nfs/dbraw/zinc/81/45/79/1062814579.db2.gz YNOICDJBNQUTOU-NRFANRHFSA-N 1 0 466.634 2.585 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC(N)=O)CC1)[NH+](C)C ZINC001287335969 1062814603 /nfs/dbraw/zinc/81/46/03/1062814603.db2.gz YNOICDJBNQUTOU-OAQYLSRUSA-N 1 0 466.634 2.585 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1)[NH+](C)C ZINC001287335989 1062815104 /nfs/dbraw/zinc/81/51/04/1062815104.db2.gz YSSKFUMBBQBTOT-NNWRFLSQSA-N 1 0 498.738 2.992 20 0 JFADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287338367 1062815479 /nfs/dbraw/zinc/81/54/79/1062815479.db2.gz FZRZMVOLXZMCKA-XZOQPEGZSA-N 1 0 468.646 2.825 20 0 JFADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287338365 1062815512 /nfs/dbraw/zinc/81/55/12/1062815512.db2.gz FZRZMVOLXZMCKA-GOTSBHOMSA-N 1 0 468.646 2.825 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001287339245 1062816931 /nfs/dbraw/zinc/81/69/31/1062816931.db2.gz SYZSGBGYPRYDLZ-ZACQAIPSSA-N 1 0 460.545 2.533 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287341371 1062818667 /nfs/dbraw/zinc/81/86/67/1062818667.db2.gz OFJRHVNKZNCUCB-VAMGGRTRSA-N 1 0 480.654 2.836 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[C@H](C)[NH+]3CCCCC3)C2)n1 ZINC001290944739 1062819207 /nfs/dbraw/zinc/81/92/07/1062819207.db2.gz WLFNFRSPOKEXTP-PKOBYXMFSA-N 1 0 458.611 2.756 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287350391 1062822901 /nfs/dbraw/zinc/82/29/01/1062822901.db2.gz DDRGKLUHUYISBJ-JOCHJYFZSA-N 1 0 489.686 2.517 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287352270 1062824608 /nfs/dbraw/zinc/82/46/08/1062824608.db2.gz MHRLTELLONZLGT-NRFANRHFSA-N 1 0 470.666 2.607 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001287356022 1062826376 /nfs/dbraw/zinc/82/63/76/1062826376.db2.gz JVTGNGGSOBIGCF-FGZHOGPDSA-N 1 0 459.660 2.665 20 0 JFADRO CC(C)Cc1nnc(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386403 1062837158 /nfs/dbraw/zinc/83/71/58/1062837158.db2.gz XQTXVTWRJPUNKT-FYYLOGMGSA-N 1 0 470.662 2.622 20 0 JFADRO COc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC001290961361 1062837746 /nfs/dbraw/zinc/83/77/46/1062837746.db2.gz NQWHLDSWTLDSST-GJZGRUSLSA-N 1 0 451.614 2.812 20 0 JFADRO Cc1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)on1 ZINC001290964981 1062840298 /nfs/dbraw/zinc/84/02/98/1062840298.db2.gz VXDLCRKHLZFHRK-KRWDZBQOSA-N 1 0 472.512 2.608 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001287403583 1062846781 /nfs/dbraw/zinc/84/67/81/1062846781.db2.gz OBTJWRHKXXWLPK-SBUREZEXSA-N 1 0 473.647 2.656 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001295047969 1062851253 /nfs/dbraw/zinc/85/12/53/1062851253.db2.gz BZMYGGYPZYEUDQ-GGPKGHCWSA-N 1 0 472.638 2.997 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCNC(=O)C(C)(C)C ZINC001287412357 1062851472 /nfs/dbraw/zinc/85/14/72/1062851472.db2.gz DUDBENGZLGXUCB-BGYRXZFFSA-N 1 0 462.683 2.965 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CC2)n1 ZINC001290973234 1062851635 /nfs/dbraw/zinc/85/16/35/1062851635.db2.gz VILJDHZTCQPIFV-IBGZPJMESA-N 1 0 462.668 2.515 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCCCC1 ZINC001290975638 1062853071 /nfs/dbraw/zinc/85/30/71/1062853071.db2.gz AYOXSODIKAUSDY-MRXNPFEDSA-N 1 0 461.408 2.860 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001287414286 1062853754 /nfs/dbraw/zinc/85/37/54/1062853754.db2.gz VAEVWSXWBIIUPD-SZPZYZBQSA-N 1 0 476.710 2.913 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCN1CCOCC1(C)C ZINC001287417885 1062855586 /nfs/dbraw/zinc/85/55/86/1062855586.db2.gz GNLNMEBDKQEUMP-UHFFFAOYSA-N 1 0 475.726 2.582 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCCC1 ZINC001290978588 1062860326 /nfs/dbraw/zinc/86/03/26/1062860326.db2.gz JZHARDLDYGSQCG-INIZCTEOSA-N 1 0 461.408 2.860 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001287420479 1062860683 /nfs/dbraw/zinc/86/06/83/1062860683.db2.gz RQIXPRHTMJDDLM-UHFFFAOYSA-N 1 0 476.691 2.883 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287422258 1062862332 /nfs/dbraw/zinc/86/23/32/1062862332.db2.gz VVEOOWGUGWPUFF-RTWAWAEBSA-N 1 0 457.598 2.959 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001287421819 1062862374 /nfs/dbraw/zinc/86/23/74/1062862374.db2.gz RAYUMOUGHUZPFJ-OAQYLSRUSA-N 1 0 487.624 2.863 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001290981381 1062866784 /nfs/dbraw/zinc/86/67/84/1062866784.db2.gz URUNVLJQZKAXLB-OALUTQOASA-N 1 0 491.681 2.647 20 0 JFADRO CC(C)Cc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287434392 1062870190 /nfs/dbraw/zinc/87/01/90/1062870190.db2.gz KWGRGBQDGMMLRE-NRFANRHFSA-N 1 0 453.566 2.575 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287445493 1062879783 /nfs/dbraw/zinc/87/97/83/1062879783.db2.gz AUIPWUIEDIDNCS-LEWJYISDSA-N 1 0 489.709 2.550 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001287445892 1062880626 /nfs/dbraw/zinc/88/06/26/1062880626.db2.gz FGUSHTIYKJOZDA-NRFANRHFSA-N 1 0 466.696 2.745 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990181 1062882182 /nfs/dbraw/zinc/88/21/82/1062882182.db2.gz RFJBODQSAIOUHO-CEXWTWQISA-N 1 0 471.654 2.643 20 0 JFADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[NH+](C)C ZINC001290990589 1062883714 /nfs/dbraw/zinc/88/37/14/1062883714.db2.gz VGAICRVZJHBIKL-BHIFYINESA-N 1 0 499.679 2.585 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001295066085 1062884447 /nfs/dbraw/zinc/88/44/47/1062884447.db2.gz OFRQNIXQBVKYQI-QGZVFWFLSA-N 1 0 491.434 2.869 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001295067611 1062886509 /nfs/dbraw/zinc/88/65/09/1062886509.db2.gz XBQQBKRZMBSYQP-UHFFFAOYSA-N 1 0 472.634 2.997 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290996244 1062887806 /nfs/dbraw/zinc/88/78/06/1062887806.db2.gz CFRNYXZHZXDNOK-BGYRXZFFSA-N 1 0 455.651 2.981 20 0 JFADRO CC(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287454185 1062889078 /nfs/dbraw/zinc/88/90/78/1062889078.db2.gz NJEYPSLTSVJXIW-JOCHJYFZSA-N 1 0 477.675 2.869 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001290998699 1062892360 /nfs/dbraw/zinc/89/23/60/1062892360.db2.gz PPVUPEAVSZLGIH-ZCNNSNEGSA-N 1 0 489.690 2.567 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001290999217 1062893680 /nfs/dbraw/zinc/89/36/80/1062893680.db2.gz JPZAUTKRVYDSAR-BGYRXZFFSA-N 1 0 495.672 2.892 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287456824 1062895202 /nfs/dbraw/zinc/89/52/02/1062895202.db2.gz RSIMQGKXYIINGH-JOCHJYFZSA-N 1 0 487.718 2.976 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000597 1062896233 /nfs/dbraw/zinc/89/62/33/1062896233.db2.gz VQXZOERDKZBWQY-QRVBRYPASA-N 1 0 467.680 2.552 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000679 1062896316 /nfs/dbraw/zinc/89/63/16/1062896316.db2.gz WUYZUOOJHHYOLM-PJVZLEMVSA-N 1 0 454.685 2.880 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287462308 1062902473 /nfs/dbraw/zinc/90/24/73/1062902473.db2.gz MWPNVQLXWCXYSD-TYBLODHISA-N 1 0 460.667 2.815 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287462908 1062904813 /nfs/dbraw/zinc/90/48/13/1062904813.db2.gz VAYXGTBREFGMHD-PXDATVDWSA-N 1 0 489.064 2.781 20 0 JFADRO C[C@H]1C[C@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001291008248 1062905588 /nfs/dbraw/zinc/90/55/88/1062905588.db2.gz MKARWHLBIDOQKB-ROUUACIJSA-N 1 0 460.648 2.863 20 0 JFADRO CC(C)NC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001291009061 1062906062 /nfs/dbraw/zinc/90/60/62/1062906062.db2.gz ZSANTHQHTRDRIF-VXKWHMMOSA-N 1 0 467.662 2.650 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@@H]2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009353 1062906110 /nfs/dbraw/zinc/90/61/10/1062906110.db2.gz DPZQRBAJQRNQHR-RDGPPVDQSA-N 1 0 472.725 2.588 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@@H]2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009354 1062906166 /nfs/dbraw/zinc/90/61/66/1062906166.db2.gz DPZQRBAJQRNQHR-ZSYWTGECSA-N 1 0 472.725 2.588 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287463863 1062906548 /nfs/dbraw/zinc/90/65/48/1062906548.db2.gz FWCUAAWOJFUXAL-BGYRXZFFSA-N 1 0 477.698 2.995 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001291009530 1062907121 /nfs/dbraw/zinc/90/71/21/1062907121.db2.gz HORFCWYEJJGFNV-CWBXHPNXSA-N 1 0 486.709 2.982 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001287463865 1062907092 /nfs/dbraw/zinc/90/70/92/1062907092.db2.gz FWCUAAWOJFUXAL-WOJBJXKFSA-N 1 0 477.698 2.995 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001295078925 1062908388 /nfs/dbraw/zinc/90/83/88/1062908388.db2.gz STWCEDLBIQKHOW-MOPGFXCFSA-N 1 0 457.596 2.679 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001291010607 1062908982 /nfs/dbraw/zinc/90/89/82/1062908982.db2.gz XRGWUAANFZNKRC-KDURUIRLSA-N 1 0 456.639 2.844 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001287464866 1062909558 /nfs/dbraw/zinc/90/95/58/1062909558.db2.gz GFIFEADSGIJPHI-XMMPIXPASA-N 1 0 467.662 2.701 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)C ZINC001287464939 1062910465 /nfs/dbraw/zinc/91/04/65/1062910465.db2.gz TXWDZLWCZBXODW-XUZZJYLKSA-N 1 0 460.667 2.672 20 0 JFADRO CCN(C)C(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001295080359 1062911547 /nfs/dbraw/zinc/91/15/47/1062911547.db2.gz JWZHXWMFYHPZOV-UHFFFAOYSA-N 1 0 481.689 2.536 20 0 JFADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291011395 1062912383 /nfs/dbraw/zinc/91/23/83/1062912383.db2.gz JTGNMJYFOXNMDK-XPWALMASSA-N 1 0 489.709 2.534 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291011722 1062913039 /nfs/dbraw/zinc/91/30/39/1062913039.db2.gz OMRQJQHAUGSTKB-AQNXPRMDSA-N 1 0 456.639 2.512 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011725 1062913059 /nfs/dbraw/zinc/91/30/59/1062913059.db2.gz OMRQJQHAUGSTKB-ZCNNSNEGSA-N 1 0 456.639 2.512 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001287466117 1062914172 /nfs/dbraw/zinc/91/41/72/1062914172.db2.gz WHBGJYBVMLBMHU-NFBKMPQASA-N 1 0 467.662 2.569 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011998 1062914801 /nfs/dbraw/zinc/91/48/01/1062914801.db2.gz SJXDOIGDMKJZDA-IIZPIQPGSA-N 1 0 496.722 2.509 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011996 1062914885 /nfs/dbraw/zinc/91/48/85/1062914885.db2.gz SJXDOIGDMKJZDA-CUXKYVRBSA-N 1 0 496.722 2.509 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291012187 1062915498 /nfs/dbraw/zinc/91/54/98/1062915498.db2.gz VKGNAFKPPSBBFI-WOJBJXKFSA-N 1 0 466.696 2.775 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012478 1062916203 /nfs/dbraw/zinc/91/62/03/1062916203.db2.gz ZVBHPBQYQUINAE-HSALFYBXSA-N 1 0 491.681 2.888 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012477 1062916547 /nfs/dbraw/zinc/91/65/47/1062916547.db2.gz ZVBHPBQYQUINAE-AQNXPRMDSA-N 1 0 491.681 2.888 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291012576 1062917367 /nfs/dbraw/zinc/91/73/67/1062917367.db2.gz BEGMMZNOVUSKQE-HDICACEKSA-N 1 0 483.082 2.952 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001291013089 1062918704 /nfs/dbraw/zinc/91/87/04/1062918704.db2.gz IQWJLXVJRFZKRI-QRVBRYPASA-N 1 0 485.599 2.672 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291012712 1062918940 /nfs/dbraw/zinc/91/89/40/1062918940.db2.gz DCMPWCBXOPDOGK-KZNAEPCWSA-N 1 0 496.582 2.551 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291013070 1062918968 /nfs/dbraw/zinc/91/89/68/1062918968.db2.gz INKZISFIQTXIEJ-OYRHEFFESA-N 1 0 468.650 2.798 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291013212 1062920111 /nfs/dbraw/zinc/92/01/11/1062920111.db2.gz KBZMUUVUGPTGBL-RTBURBONSA-N 1 0 487.674 2.780 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287471582 1062920158 /nfs/dbraw/zinc/92/01/58/1062920158.db2.gz OIYUXMXRFBYXRS-UHFFFAOYSA-N 1 0 470.666 2.829 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287471970 1062921301 /nfs/dbraw/zinc/92/13/01/1062921301.db2.gz QLLSMZWMRVWYKN-BGYRXZFFSA-N 1 0 459.614 2.837 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291013801 1062921744 /nfs/dbraw/zinc/92/17/44/1062921744.db2.gz RWGFYEDEYQZRLE-HDICACEKSA-N 1 0 451.612 2.933 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(N3CCN(c4ncccc4C(N)=O)CC3)nnc2C(C)(C)C)C1 ZINC001291014849 1062923873 /nfs/dbraw/zinc/92/38/73/1062923873.db2.gz JCKNIENPDHJMGF-BGYRXZFFSA-N 1 0 482.677 2.764 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291014948 1062924456 /nfs/dbraw/zinc/92/44/56/1062924456.db2.gz KTWDBONTRAAKEX-MQSCRBSSSA-N 1 0 489.686 2.891 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287475722 1062925979 /nfs/dbraw/zinc/92/59/79/1062925979.db2.gz YRVQDMYBRWYGAQ-FQEVSTJZSA-N 1 0 459.614 2.574 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291016018 1062927380 /nfs/dbraw/zinc/92/73/80/1062927380.db2.gz ZMBPHIXJGMTCGY-BGYRXZFFSA-N 1 0 474.675 2.645 20 0 JFADRO CN1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094939 1062927650 /nfs/dbraw/zinc/92/76/50/1062927650.db2.gz PRRMTXBJZUHOOC-JXFKEZNVSA-N 1 0 453.486 2.720 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001287476323 1062928098 /nfs/dbraw/zinc/92/80/98/1062928098.db2.gz IQSQCJOWGRERNV-NRFANRHFSA-N 1 0 471.650 2.507 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001287476709 1062931504 /nfs/dbraw/zinc/93/15/04/1062931504.db2.gz NNIHMQSVOYNIIX-QHCPKHFHSA-N 1 0 473.710 2.732 20 0 JFADRO CC[N@@H+]1CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001295102956 1062931989 /nfs/dbraw/zinc/93/19/89/1062931989.db2.gz CPQSEHTWKZZBQY-UGKGYDQZSA-N 1 0 455.603 2.920 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)OC(C)(C)C2)c1 ZINC001295126006 1062939772 /nfs/dbraw/zinc/93/97/72/1062939772.db2.gz BOGJDMXJBNDRHF-IBGZPJMESA-N 1 0 454.619 2.904 20 0 JFADRO CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295126833 1062943414 /nfs/dbraw/zinc/94/34/14/1062943414.db2.gz IOBODJUORUSDLZ-HSZRJFAPSA-N 1 0 499.685 2.653 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001295127238 1062944864 /nfs/dbraw/zinc/94/48/64/1062944864.db2.gz MLPQIPWFDMPVSP-GHTZIAJQSA-N 1 0 492.690 2.640 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001295127239 1062944903 /nfs/dbraw/zinc/94/49/03/1062944903.db2.gz MLPQIPWFDMPVSP-NQIIRXRSSA-N 1 0 492.690 2.640 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001287487657 1062945131 /nfs/dbraw/zinc/94/51/31/1062945131.db2.gz YOIPOAVPLHKKIU-IBGZPJMESA-N 1 0 461.632 2.634 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C(C)(C)C)C2)c1 ZINC001295127240 1062945838 /nfs/dbraw/zinc/94/58/38/1062945838.db2.gz MLPQIPWFDMPVSP-RXVVDRJESA-N 1 0 492.690 2.640 20 0 JFADRO CC(C)Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287506460 1062954525 /nfs/dbraw/zinc/95/45/25/1062954525.db2.gz SNZCOVJKXUBZHY-QZTJIDSGSA-N 1 0 464.565 2.940 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001287506127 1062954975 /nfs/dbraw/zinc/95/49/75/1062954975.db2.gz KNTOJMIPIMPKEF-GGAORHGYSA-N 1 0 468.646 2.622 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001287507055 1062955246 /nfs/dbraw/zinc/95/52/46/1062955246.db2.gz OUPJGCOPZIAGBX-SFHVURJKSA-N 1 0 450.628 2.691 20 0 JFADRO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001295152830 1062973488 /nfs/dbraw/zinc/97/34/88/1062973488.db2.gz SPFBHDASSZMGBN-HFMPRLQTSA-N 1 0 497.706 2.597 20 0 JFADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001287540423 1062974603 /nfs/dbraw/zinc/97/46/03/1062974603.db2.gz MEDTZUNFYGNALO-BDTNDASRSA-N 1 0 496.722 2.604 20 0 JFADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCOCC1)C(C)C ZINC001295156400 1062978669 /nfs/dbraw/zinc/97/86/69/1062978669.db2.gz IWURBQPMVVREDM-UHFFFAOYSA-N 1 0 478.663 2.541 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)C)CC1 ZINC001291051375 1062981356 /nfs/dbraw/zinc/98/13/56/1062981356.db2.gz DURMAZQNRQXXTM-OALUTQOASA-N 1 0 474.053 2.682 20 0 JFADRO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295158659 1062981851 /nfs/dbraw/zinc/98/18/51/1062981851.db2.gz LWIWZQMJXOFHCM-GOSISDBHSA-N 1 0 479.647 2.564 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)C)CC1 ZINC001291051826 1062982158 /nfs/dbraw/zinc/98/21/58/1062982158.db2.gz KOJQIMLMRURDIM-KDURUIRLSA-N 1 0 474.053 2.682 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(CC3CC3)n2CCN(C)CC(F)(F)F)CC1 ZINC001291052735 1062984619 /nfs/dbraw/zinc/98/46/19/1062984619.db2.gz XOCXIVPJKJSWOK-RTBURBONSA-N 1 0 471.616 2.720 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 ZINC001291052777 1062985266 /nfs/dbraw/zinc/98/52/66/1062985266.db2.gz YBYCVJLMWNFIED-REHUZNOOSA-N 1 0 464.724 2.730 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001291061728 1062998301 /nfs/dbraw/zinc/99/83/01/1062998301.db2.gz WISORAAKWPDFED-TVRKMHQQSA-N 1 0 496.081 2.686 20 0 JFADRO CC1CCC([NH+]2CCN(c3nnc(-c4cnn(C)c4)n3CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001291062191 1062999747 /nfs/dbraw/zinc/99/97/47/1062999747.db2.gz NIYGLLOTJUOODL-UHFFFAOYSA-N 1 0 472.638 2.904 20 0 JFADRO CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001295179574 1063001247 /nfs/dbraw/zinc/00/12/47/1063001247.db2.gz JTKQBDOUXFVVDW-SFHVURJKSA-N 1 0 493.649 2.987 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1C[C@H](C)[NH+](C)C ZINC001291062919 1063002616 /nfs/dbraw/zinc/00/26/16/1063002616.db2.gz GZCZXMAEVFPOAS-PMPSAXMXSA-N 1 0 453.678 2.951 20 0 JFADRO NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001295182545 1063005322 /nfs/dbraw/zinc/00/53/22/1063005322.db2.gz CDNZTKCVVGICCK-HXUWFJFHSA-N 1 0 458.509 2.718 20 0 JFADRO C[C@H]1CCc2sc(-c3nnc(N4CC[NH+](C(C)(C)C)CC4)n3CCCNS(C)(=O)=O)cc2C1 ZINC001291064354 1063006731 /nfs/dbraw/zinc/00/67/31/1063006731.db2.gz HLBOLVBWPDABPN-KRWDZBQOSA-N 1 0 494.731 2.991 20 0 JFADRO C[C@H]1CCc2sc(-c3nnc(N4CCN(S(C)(=O)=O)CC4)n3CC(C)(C)C[NH+](C)C)cc2C1 ZINC001291064510 1063007222 /nfs/dbraw/zinc/00/72/22/1063007222.db2.gz JVIJZLQRXUZECJ-KRWDZBQOSA-N 1 0 494.731 2.801 20 0 JFADRO CC[NH+](CC)CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001295184538 1063007469 /nfs/dbraw/zinc/00/74/69/1063007469.db2.gz PGRUVGKHBLRXOX-KRWDZBQOSA-N 1 0 451.614 2.790 20 0 JFADRO CC(C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001287627562 1063008149 /nfs/dbraw/zinc/00/81/49/1063008149.db2.gz DJJMPQSSTMTZBZ-HXUWFJFHSA-N 1 0 458.582 2.785 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCOCC2)CC1 ZINC001287628761 1063009321 /nfs/dbraw/zinc/00/93/21/1063009321.db2.gz GGTKLPKDTFWBGD-UHFFFAOYSA-N 1 0 455.607 2.910 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291065484 1063010362 /nfs/dbraw/zinc/01/03/62/1063010362.db2.gz BJAOVRGMTXRXPG-YPCDYVTLSA-N 1 0 490.693 2.949 20 0 JFADRO C[C@H]1CCC[C@@](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCn2cccn2)([NH+](C)C)C1 ZINC001291065521 1063010628 /nfs/dbraw/zinc/01/06/28/1063010628.db2.gz BXODTZBAWPBBDS-YADARESESA-N 1 0 465.606 2.769 20 0 JFADRO CC(C)NC(=O)c1nnc(N(Cc2ccnn2C)C2CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291065846 1063011014 /nfs/dbraw/zinc/01/10/14/1063011014.db2.gz GTCSJZKDLZYJIS-HOYKHHGWSA-N 1 0 456.639 2.829 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291066194 1063011579 /nfs/dbraw/zinc/01/15/79/1063011579.db2.gz KNHXUOFRQJOMSX-CLOONOSVSA-N 1 0 468.650 2.987 20 0 JFADRO 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NHBZKANYINTTFZ-WOJBJXKFSA-N 1 0 485.658 2.732 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291128340 1063163045 /nfs/dbraw/zinc/16/30/45/1063163045.db2.gz VMIMQDDWGZROQF-PMACEKPBSA-N 1 0 470.666 2.788 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128771 1063166424 /nfs/dbraw/zinc/16/64/24/1063166424.db2.gz CHGKCHCYGNSZJC-URVUXULASA-N 1 0 460.667 2.891 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291129252 1063169943 /nfs/dbraw/zinc/16/99/43/1063169943.db2.gz LQCXEUGUNNLCLC-FQEVSTJZSA-N 1 0 453.635 2.737 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001291129935 1063174711 /nfs/dbraw/zinc/17/47/11/1063174711.db2.gz XJVXEYWYXZLMCI-UXHICEINSA-N 1 0 462.639 2.961 20 0 JFADRO C[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001291132746 1063180866 /nfs/dbraw/zinc/18/08/66/1063180866.db2.gz DJOQVQMNSQSZTL-GOSISDBHSA-N 1 0 460.627 2.904 20 0 JFADRO C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291134568 1063184675 /nfs/dbraw/zinc/18/46/75/1063184675.db2.gz KVSPENDRVIIPTK-RBBKRZOGSA-N 1 0 454.619 2.831 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001291135423 1063188023 /nfs/dbraw/zinc/18/80/23/1063188023.db2.gz BDWLAOBXOODMPJ-YLJYHZDGSA-N 1 0 461.010 2.961 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cc(F)ccc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291135906 1063189626 /nfs/dbraw/zinc/18/96/26/1063189626.db2.gz MEIPONAGFMPTTO-HUUCEWRRSA-N 1 0 479.398 2.998 20 0 JFADRO CCN(CC)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001295315582 1063190381 /nfs/dbraw/zinc/19/03/81/1063190381.db2.gz XNCGDBSMLUGNKU-HXUWFJFHSA-N 1 0 490.052 2.943 20 0 JFADRO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291136165 1063190961 /nfs/dbraw/zinc/19/09/61/1063190961.db2.gz RFHRBHJDRWRIOY-RTBURBONSA-N 1 0 488.658 2.599 20 0 JFADRO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291136163 1063191071 /nfs/dbraw/zinc/19/10/71/1063191071.db2.gz RFHRBHJDRWRIOY-OALUTQOASA-N 1 0 488.658 2.599 20 0 JFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@H]2CCCOC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291137324 1063194465 /nfs/dbraw/zinc/19/44/65/1063194465.db2.gz ORHFVHVEMOEFIU-GGPKGHCWSA-N 1 0 476.647 2.501 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001291137404 1063196731 /nfs/dbraw/zinc/19/67/31/1063196731.db2.gz QIHNAJBCXTXEOL-AZUAARDMSA-N 1 0 471.606 2.554 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccccc2Br)nnc1N(C)CCS(C)(=O)=O ZINC001291137710 1063197860 /nfs/dbraw/zinc/19/78/60/1063197860.db2.gz WFSAMBFATGIHNP-HNNXBMFYSA-N 1 0 470.437 2.673 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291137774 1063198953 /nfs/dbraw/zinc/19/89/53/1063198953.db2.gz XUKAKEKSTVDHKW-SLFFLAALSA-N 1 0 489.665 2.579 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291138378 1063200079 /nfs/dbraw/zinc/20/00/79/1063200079.db2.gz INXHAMRQOWUPFL-QUCCMNQESA-N 1 0 455.607 2.852 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291138376 1063200112 /nfs/dbraw/zinc/20/01/12/1063200112.db2.gz INXHAMRQOWUPFL-AZUAARDMSA-N 1 0 455.607 2.852 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291138377 1063200148 /nfs/dbraw/zinc/20/01/48/1063200148.db2.gz INXHAMRQOWUPFL-ICSRJNTNSA-N 1 0 455.607 2.852 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001291138631 1063201006 /nfs/dbraw/zinc/20/10/06/1063201006.db2.gz NKPDXFXRAGBYFW-NJDAHSKKSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291139102 1063202112 /nfs/dbraw/zinc/20/21/12/1063202112.db2.gz VWLQDJZKKWBYMR-ROUUACIJSA-N 1 0 477.654 2.577 20 0 JFADRO CC1CCN(C(=O)C2CCN(c3nnc(Cc4ccsc4)n3CCOCC[NH+](C)C)CC2)CC1 ZINC001291139396 1063203631 /nfs/dbraw/zinc/20/36/31/1063203631.db2.gz BCDWUBJHSKXUDX-UHFFFAOYSA-N 1 0 488.702 2.984 20 0 JFADRO CC(C)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001291139892 1063205927 /nfs/dbraw/zinc/20/59/27/1063205927.db2.gz MUAXANKFNMYIIX-QUCCMNQESA-N 1 0 472.638 2.855 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140477 1063208803 /nfs/dbraw/zinc/20/88/03/1063208803.db2.gz ZFURNDJGBDIEOO-ROUUACIJSA-N 1 0 450.628 2.790 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001291140605 1063210505 /nfs/dbraw/zinc/21/05/05/1063210505.db2.gz AWMJRNIFPCCHDT-VAMGGRTRSA-N 1 0 454.685 2.881 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141699 1063216145 /nfs/dbraw/zinc/21/61/45/1063216145.db2.gz RKUXUCMITOIJRD-UXHICEINSA-N 1 0 470.618 2.813 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326920 1063219154 /nfs/dbraw/zinc/21/91/54/1063219154.db2.gz GNPAKYPFZWDMSR-PKTZIBPZSA-N 1 0 498.720 2.785 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142285 1063219559 /nfs/dbraw/zinc/21/95/59/1063219559.db2.gz BFIRXWXGUVFVBB-NUJGCVRESA-N 1 0 455.529 2.955 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291142777 1063220025 /nfs/dbraw/zinc/22/00/25/1063220025.db2.gz LCKFETWRKVAKFT-ZWKOTPCHSA-N 1 0 468.572 2.872 20 0 JFADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142581 1063220186 /nfs/dbraw/zinc/22/01/86/1063220186.db2.gz HDLPKWYSXVKNBD-QYZOEREBSA-N 1 0 486.583 2.797 20 0 JFADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143092 1063221193 /nfs/dbraw/zinc/22/11/93/1063221193.db2.gz QNFWOPSYIDKFSU-PMACEKPBSA-N 1 0 492.665 2.970 20 0 JFADRO C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143670 1063222772 /nfs/dbraw/zinc/22/27/72/1063222772.db2.gz AIWRRHMZVSULJK-FCHUYYIVSA-N 1 0 494.750 2.859 20 0 JFADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143794 1063223436 /nfs/dbraw/zinc/22/34/36/1063223436.db2.gz CREBCPURUORSHV-HKBOAZHASA-N 1 0 492.665 2.632 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295327528 1063224249 /nfs/dbraw/zinc/22/42/49/1063224249.db2.gz WJFLPGUCEORJSN-UHFFFAOYSA-N 1 0 496.704 2.843 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144306 1063225001 /nfs/dbraw/zinc/22/50/01/1063225001.db2.gz MNXCCKIQJDRPTB-YDZRNGNQSA-N 1 0 455.694 2.631 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291144522 1063225421 /nfs/dbraw/zinc/22/54/21/1063225421.db2.gz PMZWFOCDGNLFJP-DBXWQHBBSA-N 1 0 456.591 2.611 20 0 JFADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291146069 1063230190 /nfs/dbraw/zinc/23/01/90/1063230190.db2.gz WKOWFQNHZZMWGH-XUVXKRRUSA-N 1 0 453.653 2.654 20 0 JFADRO C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001291152370 1063242150 /nfs/dbraw/zinc/24/21/50/1063242150.db2.gz MQEDZLQVCSJGHP-OALUTQOASA-N 1 0 461.632 2.696 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295335451 1063251912 /nfs/dbraw/zinc/25/19/12/1063251912.db2.gz YFZVDMVNSMGGIP-UHFFFAOYSA-N 1 0 481.689 2.840 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001295336177 1063256735 /nfs/dbraw/zinc/25/67/35/1063256735.db2.gz NPLNGMCASHNMKH-HSZRJFAPSA-N 1 0 496.635 2.706 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001291167916 1063257605 /nfs/dbraw/zinc/25/76/05/1063257605.db2.gz WTUCRDWCRGWRIU-HKBOAZHASA-N 1 0 492.665 2.670 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295336814 1063260016 /nfs/dbraw/zinc/26/00/16/1063260016.db2.gz WTSXKTRXNMGCAD-JOCHJYFZSA-N 1 0 467.662 2.728 20 0 JFADRO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001291171748 1063260531 /nfs/dbraw/zinc/26/05/31/1063260531.db2.gz QFUCIVYNLJJVTM-KCZVDYSFSA-N 1 0 453.635 2.689 20 0 JFADRO C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001291171874 1063260625 /nfs/dbraw/zinc/26/06/25/1063260625.db2.gz SHLPXFAFQCODAY-NRFANRHFSA-N 1 0 461.614 2.843 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295337791 1063263689 /nfs/dbraw/zinc/26/36/89/1063263689.db2.gz ICUKKJBMUYVFBL-QFIPXVFZSA-N 1 0 459.683 2.656 20 0 JFADRO CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179504 1063268179 /nfs/dbraw/zinc/26/81/79/1063268179.db2.gz FOWAVBZQFJZFMN-YADHBBJMSA-N 1 0 460.667 2.893 20 0 JFADRO CC1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001291179475 1063268251 /nfs/dbraw/zinc/26/82/51/1063268251.db2.gz FBQKSPPSXSWVMQ-HXUWFJFHSA-N 1 0 482.633 2.529 20 0 JFADRO CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179501 1063268300 /nfs/dbraw/zinc/26/83/00/1063268300.db2.gz FOWAVBZQFJZFMN-FCHUYYIVSA-N 1 0 460.667 2.893 20 0 JFADRO CC1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001291179474 1063268429 /nfs/dbraw/zinc/26/84/29/1063268429.db2.gz FBQKSPPSXSWVMQ-FQEVSTJZSA-N 1 0 482.633 2.529 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCOc1ncccc1F ZINC001291179597 1063268888 /nfs/dbraw/zinc/26/88/88/1063268888.db2.gz HPFNZNYLWZLNOD-FQEVSTJZSA-N 1 0 487.624 2.978 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001295340656 1063269174 /nfs/dbraw/zinc/26/91/74/1063269174.db2.gz YQFJFIZBUMGZMI-VXKWHMMOSA-N 1 0 473.710 2.904 20 0 JFADRO CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179853 1063269736 /nfs/dbraw/zinc/26/97/36/1063269736.db2.gz ONDORCOCOSQSBJ-FQEVSTJZSA-N 1 0 454.685 2.678 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180237 1063271899 /nfs/dbraw/zinc/27/18/99/1063271899.db2.gz XJICWJWOVIOFDZ-UHFFFAOYSA-N 1 0 487.693 2.910 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001291180845 1063273569 /nfs/dbraw/zinc/27/35/69/1063273569.db2.gz PJPBQBVUOZAENA-NRFANRHFSA-N 1 0 460.667 2.989 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001291181312 1063273988 /nfs/dbraw/zinc/27/39/88/1063273988.db2.gz DJAJIAJRAHKYNA-KRWDZBQOSA-N 1 0 492.466 2.835 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001291181158 1063274007 /nfs/dbraw/zinc/27/40/07/1063274007.db2.gz ZFYMRHGZEMFSEN-WOJBJXKFSA-N 1 0 467.680 2.696 20 0 JFADRO CC1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001291181161 1063274117 /nfs/dbraw/zinc/27/41/17/1063274117.db2.gz ZHAMAVWLJSGBCI-UHFFFAOYSA-N 1 0 461.699 2.589 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cc(F)ccc3Br)nnc2N2CCNC(=O)C2)CC1 ZINC001291181581 1063275664 /nfs/dbraw/zinc/27/56/64/1063275664.db2.gz MWXBKXXBXQHHBT-UHFFFAOYSA-N 1 0 479.398 2.905 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181789 1063276315 /nfs/dbraw/zinc/27/63/15/1063276315.db2.gz SMRLHKCZYLTGDX-QHCPKHFHSA-N 1 0 484.645 2.823 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001291182596 1063278015 /nfs/dbraw/zinc/27/80/15/1063278015.db2.gz RNPXUEUPTIMIPY-UHFFFAOYSA-N 1 0 454.623 2.552 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001291182836 1063278485 /nfs/dbraw/zinc/27/84/85/1063278485.db2.gz YREKWDNGVNIBHS-HXUWFJFHSA-N 1 0 493.649 2.957 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001291182835 1063278564 /nfs/dbraw/zinc/27/85/64/1063278564.db2.gz YREKWDNGVNIBHS-FQEVSTJZSA-N 1 0 493.649 2.957 20 0 JFADRO CC1CC[NH+](CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001291182976 1063279161 /nfs/dbraw/zinc/27/91/61/1063279161.db2.gz CBMNHPDWBTVRMG-XIFFEERXSA-N 1 0 472.659 2.620 20 0 JFADRO CC1CC[NH+](CCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001291182975 1063279246 /nfs/dbraw/zinc/27/92/46/1063279246.db2.gz CBMNHPDWBTVRMG-MGBGTMOVSA-N 1 0 472.659 2.620 20 0 JFADRO CC1CC[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001291183209 1063279777 /nfs/dbraw/zinc/27/97/77/1063279777.db2.gz KAQSZDFSTCIRDX-NRFANRHFSA-N 1 0 454.619 2.689 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001291183331 1063280393 /nfs/dbraw/zinc/28/03/93/1063280393.db2.gz OIYROYVUHMTXRZ-LJQANCHMSA-N 1 0 477.654 2.642 20 0 JFADRO CC1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001291183625 1063281077 /nfs/dbraw/zinc/28/10/77/1063281077.db2.gz ZIASIUMIXBEIJO-HXUWFJFHSA-N 1 0 493.578 2.891 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001291184175 1063282449 /nfs/dbraw/zinc/28/24/49/1063282449.db2.gz QEYDCBIDLAKPFI-KRWDZBQOSA-N 1 0 462.545 2.945 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001291184189 1063282493 /nfs/dbraw/zinc/28/24/93/1063282493.db2.gz QSDBGZZAHJEKLL-UUOWRZLLSA-N 1 0 458.582 2.991 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001291184593 1063283424 /nfs/dbraw/zinc/28/34/24/1063283424.db2.gz FFPJSDOAMONVMQ-VQTJNVASSA-N 1 0 478.638 2.544 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291184546 1063283504 /nfs/dbraw/zinc/28/35/04/1063283504.db2.gz DCYKMVGDYCTUSQ-HXUWFJFHSA-N 1 0 463.623 2.753 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCC(C)CC1 ZINC001291185123 1063285266 /nfs/dbraw/zinc/28/52/66/1063285266.db2.gz UWGPUWMBYXUTCF-SFHVURJKSA-N 1 0 451.612 2.609 20 0 JFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCC(C)CC1 ZINC001291185191 1063285306 /nfs/dbraw/zinc/28/53/06/1063285306.db2.gz WHBYXQNHNMRFIW-GOSISDBHSA-N 1 0 471.631 2.850 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001291185508 1063285869 /nfs/dbraw/zinc/28/58/69/1063285869.db2.gz HGGUUNNOAOILBP-QGZVFWFLSA-N 1 0 462.536 2.884 20 0 JFADRO CC1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001291185774 1063286398 /nfs/dbraw/zinc/28/63/98/1063286398.db2.gz PRNIKRGFODVFGW-LJQANCHMSA-N 1 0 460.648 2.864 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185931 1063287504 /nfs/dbraw/zinc/28/75/04/1063287504.db2.gz UPEGCSOPTCINIW-AREMUKBSSA-N 1 0 490.693 2.792 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C2CC2)C[C@@H](C)O1 ZINC001291186891 1063292594 /nfs/dbraw/zinc/29/25/94/1063292594.db2.gz LGSBEICRMKZJCA-QZTJIDSGSA-N 1 0 490.674 2.682 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C2CC2)C[C@H](C)O1 ZINC001291186890 1063292753 /nfs/dbraw/zinc/29/27/53/1063292753.db2.gz LGSBEICRMKZJCA-HDICACEKSA-N 1 0 490.674 2.682 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)C[C@@H](C)O1 ZINC001291187263 1063294925 /nfs/dbraw/zinc/29/49/25/1063294925.db2.gz RJXASNRCLKMMMS-KURKYZTESA-N 1 0 458.582 2.639 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187705 1063297415 /nfs/dbraw/zinc/29/74/15/1063297415.db2.gz YFUFARHZYLGFGX-OTWHNJEPSA-N 1 0 484.711 2.793 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001291187689 1063297564 /nfs/dbraw/zinc/29/75/64/1063297564.db2.gz YCONZFCCFYJKLP-IRXDYDNUSA-N 1 0 492.571 2.761 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001291187773 1063297973 /nfs/dbraw/zinc/29/79/73/1063297973.db2.gz ZGJNYHYKEQVXOB-AQNXPRMDSA-N 1 0 496.722 2.589 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC001291187999 1063299558 /nfs/dbraw/zinc/29/95/58/1063299558.db2.gz COGPKUBKOXCSFQ-QZTJIDSGSA-N 1 0 488.608 2.586 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291187998 1063299690 /nfs/dbraw/zinc/29/96/90/1063299690.db2.gz COGPKUBKOXCSFQ-HDICACEKSA-N 1 0 488.608 2.586 20 0 JFADRO COc1ccc(N(CCC(=O)NCC[NH+]2CCC2)S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC001295352099 1063300517 /nfs/dbraw/zinc/30/05/17/1063300517.db2.gz DIWCBWDAERZXJU-UHFFFAOYSA-N 1 0 451.976 2.756 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291188128 1063300648 /nfs/dbraw/zinc/30/06/48/1063300648.db2.gz FZHBHQCBMKUVJT-KDURUIRLSA-N 1 0 477.604 2.539 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295353397 1063303755 /nfs/dbraw/zinc/30/37/55/1063303755.db2.gz ADMYKIDAZIWNLJ-UHFFFAOYSA-N 1 0 468.650 2.724 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001291188514 1063304123 /nfs/dbraw/zinc/30/41/23/1063304123.db2.gz LKDXGPJEBDAIJE-QRVBRYPASA-N 1 0 488.608 2.586 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291188703 1063304779 /nfs/dbraw/zinc/30/47/79/1063304779.db2.gz PGLOJLQMNNFNFB-BGYRXZFFSA-N 1 0 498.672 2.979 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291188822 1063305331 /nfs/dbraw/zinc/30/53/31/1063305331.db2.gz RCMSYIIBPKGYCN-OALUTQOASA-N 1 0 450.672 2.963 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291188799 1063305525 /nfs/dbraw/zinc/30/55/25/1063305525.db2.gz QWDMXLKYRYPJRV-ONTIZHBOSA-N 1 0 468.646 2.653 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCC(N4CCCNC4=O)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001291188885 1063305824 /nfs/dbraw/zinc/30/58/24/1063305824.db2.gz RZFVLEJKJFZIKL-RTBURBONSA-N 1 0 475.682 2.848 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001291189051 1063306639 /nfs/dbraw/zinc/30/66/39/1063306639.db2.gz VCJJDWAOKZZZPA-SBHAEUEKSA-N 1 0 486.636 2.988 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCC2)CC1 ZINC001295354308 1063306736 /nfs/dbraw/zinc/30/67/36/1063306736.db2.gz GYWPFLWWCVQUOB-UHFFFAOYSA-N 1 0 457.598 2.688 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCS1 ZINC001291189197 1063307520 /nfs/dbraw/zinc/30/75/20/1063307520.db2.gz XBSHWVITXISKAT-VAMGGRTRSA-N 1 0 478.707 2.866 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001295355545 1063309395 /nfs/dbraw/zinc/30/93/95/1063309395.db2.gz MVFYOLMVBCPTCE-NRFANRHFSA-N 1 0 461.655 2.632 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295355641 1063310112 /nfs/dbraw/zinc/31/01/12/1063310112.db2.gz OZRPFEBLYOTRFZ-FGZHOGPDSA-N 1 0 482.677 2.968 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295356195 1063311561 /nfs/dbraw/zinc/31/15/61/1063311561.db2.gz ROPGZGLYHWLNNN-OYRHEFFESA-N 1 0 463.671 2.560 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001291190270 1063314647 /nfs/dbraw/zinc/31/46/47/1063314647.db2.gz SHWYUTBSCUYNRT-CQSZACIVSA-N 1 0 479.398 2.998 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCCC1 ZINC001291190551 1063316058 /nfs/dbraw/zinc/31/60/58/1063316058.db2.gz YYOYOCURIKLXBF-HNNXBMFYSA-N 1 0 464.412 2.579 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295358953 1063316742 /nfs/dbraw/zinc/31/67/42/1063316742.db2.gz RSEWRSUAYFSWOO-RBUKOAKNSA-N 1 0 479.670 2.982 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295359017 1063317818 /nfs/dbraw/zinc/31/78/18/1063317818.db2.gz TUMGUGBUFVCKCV-RTBURBONSA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001295359019 1063317888 /nfs/dbraw/zinc/31/78/88/1063317888.db2.gz TVLAXGUCJAWNDY-OAQYLSRUSA-N 1 0 453.635 2.961 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001291192075 1063318433 /nfs/dbraw/zinc/31/84/33/1063318433.db2.gz DNLQTYVXSVDQSH-SIKLNZKXSA-N 1 0 470.618 2.966 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001295359248 1063319120 /nfs/dbraw/zinc/31/91/20/1063319120.db2.gz WEHUESAIMNGTDO-GOSISDBHSA-N 1 0 477.617 2.679 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001295359804 1063320822 /nfs/dbraw/zinc/32/08/22/1063320822.db2.gz BFZWCKVHNAOAIB-IBGZPJMESA-N 1 0 460.598 2.999 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001291193274 1063322015 /nfs/dbraw/zinc/32/20/15/1063322015.db2.gz YBEZDORCBJNQNU-HXUWFJFHSA-N 1 0 460.667 2.816 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001295362916 1063323173 /nfs/dbraw/zinc/32/31/73/1063323173.db2.gz SGCHVFRCAJMVNF-GJZGRUSLSA-N 1 0 468.590 2.787 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001295364083 1063325459 /nfs/dbraw/zinc/32/54/59/1063325459.db2.gz DRXLYYIMTVFAKT-SFTDATJTSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295364084 1063325604 /nfs/dbraw/zinc/32/56/04/1063325604.db2.gz CAFXPBUPEZOIOU-IBGZPJMESA-N 1 0 452.607 2.744 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001295364125 1063325983 /nfs/dbraw/zinc/32/59/83/1063325983.db2.gz CNCVATGVHACCEC-SJORKVTESA-N 1 0 469.055 2.799 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295365631 1063328243 /nfs/dbraw/zinc/32/82/43/1063328243.db2.gz HZRQKTNVWJDPFE-MHECFPHRSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001295367473 1063332502 /nfs/dbraw/zinc/33/25/02/1063332502.db2.gz XVBIGKWDRQMECN-QGZVFWFLSA-N 1 0 499.081 2.809 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295367660 1063333037 /nfs/dbraw/zinc/33/30/37/1063333037.db2.gz ZFILHAWGLQKNPT-HRAATJIYSA-N 1 0 467.039 2.739 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001291195512 1063333716 /nfs/dbraw/zinc/33/37/16/1063333716.db2.gz SKPNATIJBLWOCU-FXAWDEMLSA-N 1 0 458.582 2.960 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001295369288 1063334106 /nfs/dbraw/zinc/33/41/06/1063334106.db2.gz CHHUAHPEHIKIJJ-QFIPXVFZSA-N 1 0 482.677 2.595 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001291195514 1063334196 /nfs/dbraw/zinc/33/41/96/1063334196.db2.gz SKPNATIJBLWOCU-XLIONFOSSA-N 1 0 458.582 2.960 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001295369558 1063334678 /nfs/dbraw/zinc/33/46/78/1063334678.db2.gz INFLZBLTFAJULM-QZTJIDSGSA-N 1 0 471.631 2.915 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001291195878 1063335767 /nfs/dbraw/zinc/33/57/67/1063335767.db2.gz ZXERTRAHVZNDBT-GOSISDBHSA-N 1 0 477.654 2.548 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001295371002 1063336710 /nfs/dbraw/zinc/33/67/10/1063336710.db2.gz OEBSJPGQSZVJDM-YZUZCNPQSA-N 1 0 497.688 2.673 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001295370986 1063336756 /nfs/dbraw/zinc/33/67/56/1063336756.db2.gz NTLIYVBNANAOOH-SFHVURJKSA-N 1 0 454.623 2.941 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001295371001 1063336927 /nfs/dbraw/zinc/33/69/27/1063336927.db2.gz OEBSJPGQSZVJDM-PQNGQFLHSA-N 1 0 497.688 2.673 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001295373289 1063340906 /nfs/dbraw/zinc/34/09/06/1063340906.db2.gz LSGDMCOGFSOWDS-ROUUACIJSA-N 1 0 487.649 2.867 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295373671 1063341986 /nfs/dbraw/zinc/34/19/86/1063341986.db2.gz RSONWXFTLOEEDO-LEWJYISDSA-N 1 0 468.650 2.961 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001291197386 1063342965 /nfs/dbraw/zinc/34/29/65/1063342965.db2.gz DCZCHOXIUMHCQQ-JKSUJKDBSA-N 1 0 469.512 2.812 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001295374285 1063343108 /nfs/dbraw/zinc/34/31/08/1063343108.db2.gz WMCZEGBCWZEGGW-AQNXPRMDSA-N 1 0 496.660 2.870 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001295376590 1063345292 /nfs/dbraw/zinc/34/52/92/1063345292.db2.gz OCKGXFFQIMLXAO-AABGKKOBSA-N 1 0 482.633 2.518 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CCCO1 ZINC001291198066 1063347105 /nfs/dbraw/zinc/34/71/05/1063347105.db2.gz PFAUMZQVVWQIMI-IAGOWNOFSA-N 1 0 455.588 2.905 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291198058 1063347272 /nfs/dbraw/zinc/34/72/72/1063347272.db2.gz OZTCCGVYZCAVMF-FFZYEISDSA-N 1 0 487.674 2.783 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001295378513 1063347986 /nfs/dbraw/zinc/34/79/86/1063347986.db2.gz GBJSFNXKSFJZIO-KNQAVFIVSA-N 1 0 472.609 2.566 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001295378514 1063348091 /nfs/dbraw/zinc/34/80/91/1063348091.db2.gz GBJSFNXKSFJZIO-SIKLNZKXSA-N 1 0 472.609 2.566 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295378564 1063348477 /nfs/dbraw/zinc/34/84/77/1063348477.db2.gz GWCBHTVWOAWHMJ-LEWJYISDSA-N 1 0 461.699 2.730 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001295379252 1063350400 /nfs/dbraw/zinc/35/04/00/1063350400.db2.gz LPXZGUFZPFPMCU-MOPGFXCFSA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001295379253 1063350540 /nfs/dbraw/zinc/35/05/40/1063350540.db2.gz LPXZGUFZPFPMCU-OALUTQOASA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295379551 1063351927 /nfs/dbraw/zinc/35/19/27/1063351927.db2.gz MXZIPFAJMOQTFE-QYZOEREBSA-N 1 0 450.628 2.958 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001295380027 1063352343 /nfs/dbraw/zinc/35/23/43/1063352343.db2.gz OLZFHSPHEPSWCW-GUDVDZBRSA-N 1 0 455.669 2.694 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001295380324 1063352631 /nfs/dbraw/zinc/35/26/31/1063352631.db2.gz PKZIDUMLIKBCPA-FGSXEWAUSA-N 1 0 455.669 2.552 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295382211 1063354824 /nfs/dbraw/zinc/35/48/24/1063354824.db2.gz ZGHPKEGILLSYAO-HOTGVXAUSA-N 1 0 455.575 2.501 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001295383453 1063356568 /nfs/dbraw/zinc/35/65/68/1063356568.db2.gz BNKXCGUVRXQZPT-NRFANRHFSA-N 1 0 487.693 2.750 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001295383700 1063357059 /nfs/dbraw/zinc/35/70/59/1063357059.db2.gz CCVBYTXRYRLYGR-LEWJYISDSA-N 1 0 459.639 2.644 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001295383959 1063357797 /nfs/dbraw/zinc/35/77/97/1063357797.db2.gz DHSTUUOKNKDRLN-RTBURBONSA-N 1 0 477.654 2.576 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001295385296 1063360860 /nfs/dbraw/zinc/36/08/60/1063360860.db2.gz LBVBFKWRRSYTFT-HSZRJFAPSA-N 1 0 497.688 2.758 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001295386239 1063362341 /nfs/dbraw/zinc/36/23/41/1063362341.db2.gz SJIDJOIZXLFWHE-NANJZHHASA-N 1 0 460.648 2.597 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295388684 1063365869 /nfs/dbraw/zinc/36/58/69/1063365869.db2.gz JRBNOHAIHVNDOW-SIKLNZKXSA-N 1 0 453.635 2.948 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295388739 1063365907 /nfs/dbraw/zinc/36/59/07/1063365907.db2.gz KBVCGSSPAJWHGZ-LJQANCHMSA-N 1 0 474.675 2.736 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295389086 1063366465 /nfs/dbraw/zinc/36/64/65/1063366465.db2.gz BFIPHFMDDDVSGA-PKOBYXMFSA-N 1 0 476.025 2.797 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001295388807 1063366675 /nfs/dbraw/zinc/36/66/75/1063366675.db2.gz KGTKCEYUASJBMQ-RBBKRZOGSA-N 1 0 463.634 2.889 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001295389678 1063367238 /nfs/dbraw/zinc/36/72/38/1063367238.db2.gz GIBPVDDYZTZWDQ-MOPGFXCFSA-N 1 0 458.582 2.928 20 0 JFADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C ZINC001291207038 1063373086 /nfs/dbraw/zinc/37/30/86/1063373086.db2.gz FKWALYNZXNIWQB-MOPGFXCFSA-N 1 0 478.663 2.795 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391016 1063373034 /nfs/dbraw/zinc/37/30/34/1063373034.db2.gz DALBWNPLEOWUNW-DOTOQJQBSA-N 1 0 472.706 2.586 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295391969 1063375776 /nfs/dbraw/zinc/37/57/76/1063375776.db2.gz ZUGRBOBOPSJPEW-FXAWDEMLSA-N 1 0 467.611 2.740 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295391854 1063375811 /nfs/dbraw/zinc/37/58/11/1063375811.db2.gz YTBVDORYZZZNIK-MFKWGIFDSA-N 1 0 462.639 2.862 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397421 1063384066 /nfs/dbraw/zinc/38/40/66/1063384066.db2.gz MYRNQNMIAINJNW-OALUTQOASA-N 1 0 462.595 2.993 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291209810 1063385538 /nfs/dbraw/zinc/38/55/38/1063385538.db2.gz RNEQDUMCOLKGKF-SFHLNBCPSA-N 1 0 488.608 2.725 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001295400790 1063387040 /nfs/dbraw/zinc/38/70/40/1063387040.db2.gz NLYJSGAXBFGGCB-UXHICEINSA-N 1 0 469.634 2.663 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 ZINC001295402398 1063387509 /nfs/dbraw/zinc/38/75/09/1063387509.db2.gz TXMYDEHZJSHYPV-NRFANRHFSA-N 1 0 460.648 2.757 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001295403583 1063388252 /nfs/dbraw/zinc/38/82/52/1063388252.db2.gz XEOSAHOVGPFXGE-IBGZPJMESA-N 1 0 466.677 2.772 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001295404257 1063390262 /nfs/dbraw/zinc/39/02/62/1063390262.db2.gz IZGXZKPMVXYUEB-JEEBJRHZSA-N 1 0 490.674 2.814 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405224 1063393093 /nfs/dbraw/zinc/39/30/93/1063393093.db2.gz FVJFPTNRUAUVBP-PZJWPPBQSA-N 1 0 458.607 2.905 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCCCC2)CC(=O)N1C ZINC001291211470 1063393836 /nfs/dbraw/zinc/39/38/36/1063393836.db2.gz VKVOOPKLOKJEEC-HNNXBMFYSA-N 1 0 478.439 2.967 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCC(O)CC2)CCCO1 ZINC001291211466 1063393994 /nfs/dbraw/zinc/39/39/94/1063393994.db2.gz VJUDYSZDBJIMGQ-MRXNPFEDSA-N 1 0 481.439 2.508 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccccc1 ZINC001295407139 1063398390 /nfs/dbraw/zinc/39/83/90/1063398390.db2.gz PUDWXOWMJAICMQ-SSGKUCQKSA-N 1 0 485.629 2.615 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407060 1063398521 /nfs/dbraw/zinc/39/85/21/1063398521.db2.gz PBCQIEDHCBPEDO-UYAOXDASSA-N 1 0 459.595 2.657 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC[NH+](C)C)CC(C)(C)O1 ZINC001291212171 1063398448 /nfs/dbraw/zinc/39/84/48/1063398448.db2.gz JRWGBJITSVTGBR-GOSISDBHSA-N 1 0 453.591 2.917 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291212453 1063399083 /nfs/dbraw/zinc/39/90/83/1063399083.db2.gz OJSRCHVJRYWIMN-GOSISDBHSA-N 1 0 496.077 2.970 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295407681 1063399078 /nfs/dbraw/zinc/39/90/78/1063399078.db2.gz XMNJUSKMVHOUAP-FQEVSTJZSA-N 1 0 453.616 2.735 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001295408368 1063401857 /nfs/dbraw/zinc/40/18/57/1063401857.db2.gz ZJMMXZZPOZYJRR-XZOQPEGZSA-N 1 0 482.654 2.970 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC001291214372 1063413419 /nfs/dbraw/zinc/41/34/19/1063413419.db2.gz VFPJYINZZJTXAY-WIYYLYMNSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291214440 1063414376 /nfs/dbraw/zinc/41/43/76/1063414376.db2.gz WQXDUKKVQGOWOO-UWVAXJGDSA-N 1 0 464.561 2.654 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCC[NH+](C)C)CCCO1 ZINC001291217529 1063438684 /nfs/dbraw/zinc/43/86/84/1063438684.db2.gz DFYBPQZBJCHCDU-CQSZACIVSA-N 1 0 458.426 2.963 20 0 JFADRO COc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001295441384 1063447619 /nfs/dbraw/zinc/44/76/19/1063447619.db2.gz RCRFKFSWJNFFAZ-QFIPXVFZSA-N 1 0 450.583 2.690 20 0 JFADRO CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001295449854 1063454531 /nfs/dbraw/zinc/45/45/31/1063454531.db2.gz XHZNRACUBPMXDQ-SFHVURJKSA-N 1 0 455.694 2.778 20 0 JFADRO C[NH+]1CCC(C)(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC1 ZINC001295454328 1063458717 /nfs/dbraw/zinc/45/87/17/1063458717.db2.gz QACQOHVVYQLXIH-UHFFFAOYSA-N 1 0 457.556 2.531 20 0 JFADRO CN(c1ccc(OCC(=O)NCC2(C)CC[NH+](C)CC2)cc1)S(=O)(=O)c1cccs1 ZINC001295455703 1063459764 /nfs/dbraw/zinc/45/97/64/1063459764.db2.gz ZNPLAUYMYNVJOQ-UHFFFAOYSA-N 1 0 451.614 2.800 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001291222792 1063460074 /nfs/dbraw/zinc/46/00/74/1063460074.db2.gz UINWGMXEJXQYCW-ACJLOTCBSA-N 1 0 479.398 2.854 20 0 JFADRO CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1CCN(C(=O)OC)CC1 ZINC001295458574 1063460552 /nfs/dbraw/zinc/46/05/52/1063460552.db2.gz ZCLPBIMFCQGDSV-UHFFFAOYSA-N 1 0 483.661 2.967 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)CC1 ZINC001295463001 1063462709 /nfs/dbraw/zinc/46/27/09/1063462709.db2.gz GYEJNXGJYNOWDX-SFHVURJKSA-N 1 0 487.674 2.923 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001295463641 1063464695 /nfs/dbraw/zinc/46/46/95/1063464695.db2.gz NXRINANRFIUBDI-XMMPIXPASA-N 1 0 497.688 2.628 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2occc2C)CC1 ZINC001295473644 1063478547 /nfs/dbraw/zinc/47/85/47/1063478547.db2.gz SIWTXNGHRNZUNA-IBGZPJMESA-N 1 0 458.607 2.814 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001295474567 1063481234 /nfs/dbraw/zinc/48/12/34/1063481234.db2.gz CMXPFEARRKZFIO-UHFFFAOYSA-N 1 0 468.646 2.656 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)nn(C)c2C)CC1 ZINC001295474758 1063482990 /nfs/dbraw/zinc/48/29/90/1063482990.db2.gz GVORVGZCMVPFDD-UHFFFAOYSA-N 1 0 453.639 2.849 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC(F)F)CC1 ZINC001295475055 1063483947 /nfs/dbraw/zinc/48/39/47/1063483947.db2.gz NIZNRKSGJAVNGA-UHFFFAOYSA-N 1 0 473.572 2.973 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001295479568 1063487510 /nfs/dbraw/zinc/48/75/10/1063487510.db2.gz FDUCGYWHODRXNE-HXUWFJFHSA-N 1 0 493.697 2.941 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(SC)c2)CC1 ZINC001295480033 1063489594 /nfs/dbraw/zinc/48/95/94/1063489594.db2.gz KNEKFWFDKARUNI-UHFFFAOYSA-N 1 0 459.664 2.731 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)CC1 ZINC001295480026 1063489628 /nfs/dbraw/zinc/48/96/28/1063489628.db2.gz KIUDTKIJEWOERD-HHHXNRCGSA-N 1 0 498.672 2.666 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)OC)CC1 ZINC001295482279 1063498967 /nfs/dbraw/zinc/49/89/67/1063498967.db2.gz HUBKGYFJQJAFTE-KRWDZBQOSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2Cc2snnc2C)CC1 ZINC001295482281 1063499055 /nfs/dbraw/zinc/49/90/55/1063499055.db2.gz HXLDPVAOXNPHER-UHFFFAOYSA-N 1 0 489.049 2.797 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1)C(C)C ZINC001291235231 1063499513 /nfs/dbraw/zinc/49/95/13/1063499513.db2.gz KQEJKFPLVRDFKN-RDPSFJRHSA-N 1 0 459.639 2.962 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@H]2C[C@@H]2C)CC1 ZINC001295482356 1063500203 /nfs/dbraw/zinc/50/02/03/1063500203.db2.gz LGJCDQJAQJKRPM-UWJYYQICSA-N 1 0 456.591 2.534 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@@H]2C[C@@H]2C)CC1 ZINC001295482354 1063500329 /nfs/dbraw/zinc/50/03/29/1063500329.db2.gz LGJCDQJAQJKRPM-LAUBAEHRSA-N 1 0 456.591 2.534 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001295482635 1063504147 /nfs/dbraw/zinc/50/41/47/1063504147.db2.gz VZRISKABHMVALB-UHFFFAOYSA-N 1 0 494.644 2.505 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001295482722 1063504871 /nfs/dbraw/zinc/50/48/71/1063504871.db2.gz YLIIXMKEJZQLGV-UHFFFAOYSA-N 1 0 495.672 2.775 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001295482717 1063505047 /nfs/dbraw/zinc/50/50/47/1063505047.db2.gz YJEONSHAEINALY-OALUTQOASA-N 1 0 470.618 2.609 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291238249 1063506343 /nfs/dbraw/zinc/50/63/43/1063506343.db2.gz MQQSALVYHYJHFP-PKOBYXMFSA-N 1 0 456.595 2.570 20 0 JFADRO C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291238902 1063508669 /nfs/dbraw/zinc/50/86/69/1063508669.db2.gz ZOIJHTLTPJLYNI-BZUAXINKSA-N 1 0 451.666 2.519 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)s2)CC1 ZINC001295483876 1063510010 /nfs/dbraw/zinc/51/00/10/1063510010.db2.gz JWOYQYNOERMARQ-HXUWFJFHSA-N 1 0 460.648 2.928 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001295484333 1063510041 /nfs/dbraw/zinc/51/00/41/1063510041.db2.gz MLYVMLJTVSWQBL-UHFFFAOYSA-N 1 0 495.550 2.530 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291240820 1063510417 /nfs/dbraw/zinc/51/04/17/1063510417.db2.gz GMKJIFGUVFEKDJ-RBUKOAKNSA-N 1 0 475.638 2.551 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001291241027 1063510667 /nfs/dbraw/zinc/51/06/67/1063510667.db2.gz JBNWLIQKFJXFGT-NCOADZHNSA-N 1 0 458.529 2.506 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@@H+](C2CCC2)C1 ZINC001291240858 1063510835 /nfs/dbraw/zinc/51/08/35/1063510835.db2.gz GYGPQMWEELCWBF-GXTWGEPZSA-N 1 0 461.355 2.528 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCC2CCC(OC)CC2)CC1 ZINC001295484410 1063511429 /nfs/dbraw/zinc/51/14/29/1063511429.db2.gz NEMXXIZMUYYUHI-KOENEWCDSA-N 1 0 490.693 2.758 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241234 1063511497 /nfs/dbraw/zinc/51/14/97/1063511497.db2.gz LSAPJHFJJKJLTG-MNEFBYGVSA-N 1 0 497.541 2.744 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C)n2)CC1 ZINC001295484616 1063512015 /nfs/dbraw/zinc/51/20/15/1063512015.db2.gz PMXPVSFKWXJQFP-UHFFFAOYSA-N 1 0 476.629 2.585 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](OC)c2ccccc2)CC1 ZINC001295484719 1063512443 /nfs/dbraw/zinc/51/24/43/1063512443.db2.gz QPHPITYQUYWXBC-XZOQPEGZSA-N 1 0 484.645 2.898 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291241366 1063512455 /nfs/dbraw/zinc/51/24/55/1063512455.db2.gz MYCXPBXERXCZFB-RTBURBONSA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295484748 1063513264 /nfs/dbraw/zinc/51/32/64/1063513264.db2.gz RAAQKNUQWRLTFX-NTKDMRAZSA-N 1 0 457.623 2.611 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241789 1063513877 /nfs/dbraw/zinc/51/38/77/1063513877.db2.gz SPDDECAXAMUECV-BHIYHBOVSA-N 1 0 479.551 2.605 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001295485493 1063514310 /nfs/dbraw/zinc/51/43/10/1063514310.db2.gz XKEYYAQDVFYAAG-UHFFFAOYSA-N 1 0 494.619 2.842 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001295490548 1063517087 /nfs/dbraw/zinc/51/70/87/1063517087.db2.gz USCZXCFRLRSIRF-UHFFFAOYSA-N 1 0 458.554 2.920 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2)CC1 ZINC001295490956 1063519942 /nfs/dbraw/zinc/51/99/42/1063519942.db2.gz KUMRPKFAGWZTGJ-OAQYLSRUSA-N 1 0 471.675 2.540 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(OC)c2)CC1 ZINC001295491035 1063520632 /nfs/dbraw/zinc/52/06/32/1063520632.db2.gz NMHCJRIAYNVFIH-UHFFFAOYSA-N 1 0 482.654 2.978 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(F)(F)F)CC1 ZINC001295491046 1063521081 /nfs/dbraw/zinc/52/10/81/1063521081.db2.gz NVQZCWVKROEZLL-UHFFFAOYSA-N 1 0 452.525 2.730 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001295491579 1063523029 /nfs/dbraw/zinc/52/30/29/1063523029.db2.gz VEWOWFIVAUGPEX-GOTSBHOMSA-N 1 0 498.672 2.971 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCOC(C)(C)C)CC1 ZINC001295491827 1063524341 /nfs/dbraw/zinc/52/43/41/1063524341.db2.gz WWIGHWMPUISNHW-UHFFFAOYSA-N 1 0 462.664 2.736 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295491882 1063524906 /nfs/dbraw/zinc/52/49/06/1063524906.db2.gz YKFJKBWBNSNHCI-VWLOTQADSA-N 1 0 489.064 2.782 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001295491883 1063524927 /nfs/dbraw/zinc/52/49/27/1063524927.db2.gz YMCBDBMMXICVLD-LEWJYISDSA-N 1 0 454.619 2.812 20 0 JFADRO CC(C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291249530 1063526494 /nfs/dbraw/zinc/52/64/94/1063526494.db2.gz GQTNCPXTCOYVLM-IBGZPJMESA-N 1 0 456.639 2.796 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C(N)=O)CC2)cc1 ZINC001295493295 1063526819 /nfs/dbraw/zinc/52/68/19/1063526819.db2.gz HCDRHHSOYGXVCJ-JOCHJYFZSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 ZINC001295493115 1063526905 /nfs/dbraw/zinc/52/69/05/1063526905.db2.gz LXLBTVNVEOQFEY-FGZHOGPDSA-N 1 0 454.619 2.982 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3cncn3)C2)c1 ZINC001295493377 1063527350 /nfs/dbraw/zinc/52/73/50/1063527350.db2.gz OGOFOHDCGFQBLP-QFIPXVFZSA-N 1 0 479.633 2.739 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 ZINC001295493789 1063528289 /nfs/dbraw/zinc/52/82/89/1063528289.db2.gz JFHBKXAZLVVXOE-IBGZPJMESA-N 1 0 474.675 2.906 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001295493915 1063528478 /nfs/dbraw/zinc/52/84/78/1063528478.db2.gz WFCIQAUSIWNYDB-UHFFFAOYSA-N 1 0 497.669 2.748 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCOC2)cc1 ZINC001295494291 1063528780 /nfs/dbraw/zinc/52/87/80/1063528780.db2.gz NDOSNIHSXBURRL-FCHUYYIVSA-N 1 0 475.659 2.543 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC001295499586 1063532319 /nfs/dbraw/zinc/53/23/19/1063532319.db2.gz BQFVBUBBRAUAIG-UHFFFAOYSA-N 1 0 488.702 2.983 20 0 JFADRO O=C(c1cc(C(F)(F)F)ccc1Br)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295498577 1063532338 /nfs/dbraw/zinc/53/23/38/1063532338.db2.gz WBGPNPSEGNUNCI-UHFFFAOYSA-N 1 0 451.283 2.767 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C3CCC3)nnc2N2CCN(C(=O)COC)CC2)c1 ZINC001295500490 1063533821 /nfs/dbraw/zinc/53/38/21/1063533821.db2.gz OJFMDANEBYGYOQ-UHFFFAOYSA-N 1 0 454.619 2.731 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(C)C)n3Cc3ccccc3C[NH+](CC)CC)CCN2C1=O ZINC001295500944 1063534740 /nfs/dbraw/zinc/53/47/40/1063534740.db2.gz ULEHXEOSVWMFMB-NRFANRHFSA-N 1 0 467.618 2.764 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc(C(C)C)n3Cc3ccccc3C[NH+](CC)CC)CCN2C1=O ZINC001295500945 1063534874 /nfs/dbraw/zinc/53/48/74/1063534874.db2.gz ULEHXEOSVWMFMB-OAQYLSRUSA-N 1 0 467.618 2.764 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001295500853 1063534910 /nfs/dbraw/zinc/53/49/10/1063534910.db2.gz SKYNBMFQQFRMEJ-DENIHFKCSA-N 1 0 454.619 2.729 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001295502172 1063536584 /nfs/dbraw/zinc/53/65/84/1063536584.db2.gz BDFBRYLBOSFJLU-QGZVFWFLSA-N 1 0 494.566 2.734 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)C1 ZINC001295502838 1063537573 /nfs/dbraw/zinc/53/75/73/1063537573.db2.gz IEOHVDBLRWNYBM-LJQANCHMSA-N 1 0 467.586 2.916 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@](C)(O)c2ccccc2)C1 ZINC001295503022 1063538024 /nfs/dbraw/zinc/53/80/24/1063538024.db2.gz IZUGDZZYSYAKHU-RLWLMLJZSA-N 1 0 468.646 2.980 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001295503656 1063538929 /nfs/dbraw/zinc/53/89/29/1063538929.db2.gz OKXAFZVOPCQRDW-HSZRJFAPSA-N 1 0 461.614 2.856 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001291254162 1063538981 /nfs/dbraw/zinc/53/89/81/1063538981.db2.gz QNVDXHFNXFAPQV-KZNAEPCWSA-N 1 0 493.596 2.602 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 ZINC001295505251 1063541205 /nfs/dbraw/zinc/54/12/05/1063541205.db2.gz ZVHNFYUXMUJONR-FUHWJXTLSA-N 1 0 469.055 2.758 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C1 ZINC001295509350 1063544800 /nfs/dbraw/zinc/54/48/00/1063544800.db2.gz VFZBJBHJTLGSET-ZWKOTPCHSA-N 1 0 494.482 2.925 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nncn2C)C1 ZINC001295510236 1063545346 /nfs/dbraw/zinc/54/53/46/1063545346.db2.gz XKEUISOSDRACDQ-INIZCTEOSA-N 1 0 460.533 2.891 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 ZINC001295511625 1063546302 /nfs/dbraw/zinc/54/63/02/1063546302.db2.gz MAJRDJBAIBBOQS-HNNXBMFYSA-N 1 0 456.488 2.931 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001295512388 1063547516 /nfs/dbraw/zinc/54/75/16/1063547516.db2.gz TXVSJYXZCJAVLH-HXUWFJFHSA-N 1 0 497.669 2.807 20 0 JFADRO C[C@@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001291256393 1063548094 /nfs/dbraw/zinc/54/80/94/1063548094.db2.gz UFILHPXREUFPDJ-PCCBWWKXSA-N 1 0 496.722 2.748 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001295516102 1063551467 /nfs/dbraw/zinc/55/14/67/1063551467.db2.gz IYGIBANLPQETJC-ZWKOTPCHSA-N 1 0 495.550 2.782 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001295516377 1063552471 /nfs/dbraw/zinc/55/24/71/1063552471.db2.gz HPHLHSFBFZWVKX-FCHUYYIVSA-N 1 0 459.660 2.981 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001295516379 1063552507 /nfs/dbraw/zinc/55/25/07/1063552507.db2.gz HPHLHSFBFZWVKX-VXKWHMMOSA-N 1 0 459.660 2.981 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)C1 ZINC001295517874 1063554429 /nfs/dbraw/zinc/55/44/29/1063554429.db2.gz NDADTMQNBANCRJ-ROUUACIJSA-N 1 0 451.662 2.767 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001295518590 1063555454 /nfs/dbraw/zinc/55/54/54/1063555454.db2.gz QJHKCDRENMVIKB-NHCUHLMSSA-N 1 0 455.607 2.742 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001295518663 1063555491 /nfs/dbraw/zinc/55/54/91/1063555491.db2.gz QNWPJGDRQTWAQO-SOLBZPMBSA-N 1 0 461.636 2.610 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001295519527 1063555859 /nfs/dbraw/zinc/55/58/59/1063555859.db2.gz SLQLETRDVNAGTG-GOSISDBHSA-N 1 0 458.611 2.770 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 ZINC001295520256 1063556362 /nfs/dbraw/zinc/55/63/62/1063556362.db2.gz UKUPFYNURVMEPW-IRLDBZIGSA-N 1 0 490.674 2.644 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001295520700 1063556770 /nfs/dbraw/zinc/55/67/70/1063556770.db2.gz UVJMPVJYUJTPAB-XMMPIXPASA-N 1 0 481.689 2.510 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001295520825 1063556877 /nfs/dbraw/zinc/55/68/77/1063556877.db2.gz VVSBWGAKMAINEV-JXFKEZNVSA-N 1 0 462.545 2.755 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001295521287 1063558187 /nfs/dbraw/zinc/55/81/87/1063558187.db2.gz AXEVJNBIPPUOQB-NRFANRHFSA-N 1 0 456.639 2.901 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 ZINC001295522697 1063559724 /nfs/dbraw/zinc/55/97/24/1063559724.db2.gz MIHIVZGBJSZPLU-INIZCTEOSA-N 1 0 476.054 2.964 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 ZINC001295523563 1063560452 /nfs/dbraw/zinc/56/04/52/1063560452.db2.gz WHFMAVVNSQEJOG-SLFFLAALSA-N 1 0 487.653 2.509 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)cc(OC)c2)C1 ZINC001295523651 1063560497 /nfs/dbraw/zinc/56/04/97/1063560497.db2.gz YCHITBSNQRHSDD-SFHVURJKSA-N 1 0 458.582 2.765 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001295524099 1063561789 /nfs/dbraw/zinc/56/17/89/1063561789.db2.gz DTBOVEPFHBGHBS-OAQYLSRUSA-N 1 0 494.438 2.809 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001295524098 1063561821 /nfs/dbraw/zinc/56/18/21/1063561821.db2.gz DTBOVEPFHBGHBS-NRFANRHFSA-N 1 0 494.438 2.809 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 ZINC001295524484 1063562626 /nfs/dbraw/zinc/56/26/26/1063562626.db2.gz LXRLCRLVAUIXQN-MRXNPFEDSA-N 1 0 474.622 2.636 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(NC(C)=O)CC1 ZINC001295524956 1063563074 /nfs/dbraw/zinc/56/30/74/1063563074.db2.gz RWJIONNLTYGUHZ-UHFFFAOYSA-N 1 0 469.634 2.984 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291265930 1063567222 /nfs/dbraw/zinc/56/72/22/1063567222.db2.gz DUPFKQYPKHYAJZ-FQEVSTJZSA-N 1 0 499.660 2.556 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CCN1CC(F)(F)F ZINC001291265971 1063567532 /nfs/dbraw/zinc/56/75/32/1063567532.db2.gz FHFQBKCXPUPOBU-QGZVFWFLSA-N 1 0 453.557 2.925 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001295531187 1063568256 /nfs/dbraw/zinc/56/82/56/1063568256.db2.gz SCEHHECVXJWZRO-IBGZPJMESA-N 1 0 478.638 2.820 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001295535072 1063571969 /nfs/dbraw/zinc/57/19/69/1063571969.db2.gz SLDFXCGAQRQJGX-UHFFFAOYSA-N 1 0 452.607 2.999 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001295535514 1063572465 /nfs/dbraw/zinc/57/24/65/1063572465.db2.gz WZSTXJGZMNASDA-NRFANRHFSA-N 1 0 473.666 2.580 20 0 JFADRO COc1cccc(C2=CCN(C(=O)c3cc(S(=O)(=O)NCCC[NH+](C)C)ccc3C)C2)c1 ZINC001295538167 1063573582 /nfs/dbraw/zinc/57/35/82/1063573582.db2.gz HXIGHXPVJYFHPE-UHFFFAOYSA-N 1 0 457.596 2.773 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001295538097 1063573635 /nfs/dbraw/zinc/57/36/35/1063573635.db2.gz BXWCRIPBUNCMRT-UHFFFAOYSA-N 1 0 451.575 2.551 20 0 JFADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001295540081 1063575084 /nfs/dbraw/zinc/57/50/84/1063575084.db2.gz UTTXNVSUVPQSCO-UHFFFAOYSA-N 1 0 457.598 2.598 20 0 JFADRO C[C@@H]1CN(c2nnc(CC3CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291270578 1063576340 /nfs/dbraw/zinc/57/63/40/1063576340.db2.gz KOTGQFHKPNKBQJ-MJGOQNOKSA-N 1 0 458.573 2.540 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001295542141 1063577116 /nfs/dbraw/zinc/57/71/16/1063577116.db2.gz RDEWJMJAGUSWLG-LJQANCHMSA-N 1 0 458.607 2.814 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001295544094 1063578829 /nfs/dbraw/zinc/57/88/29/1063578829.db2.gz MAGDBZMFDTYGMQ-FXAWDEMLSA-N 1 0 458.582 2.850 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001295543933 1063578931 /nfs/dbraw/zinc/57/89/31/1063578931.db2.gz JAAIHMACGDGZIA-QGZVFWFLSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCSC[C@@H]1C ZINC001295545118 1063580286 /nfs/dbraw/zinc/58/02/86/1063580286.db2.gz PYOJYMTWICSCHR-KRWDZBQOSA-N 1 0 471.631 2.894 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001295546357 1063581784 /nfs/dbraw/zinc/58/17/84/1063581784.db2.gz ZSOSTQCUZDAUND-LJQANCHMSA-N 1 0 453.591 2.825 20 0 JFADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001291275093 1063582446 /nfs/dbraw/zinc/58/24/46/1063582446.db2.gz MMXRFBJLXDWEPX-JTHBVZDNSA-N 1 0 470.662 2.644 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001295550398 1063583247 /nfs/dbraw/zinc/58/32/47/1063583247.db2.gz FNSLVGXDKQTWEE-GOSISDBHSA-N 1 0 487.674 2.705 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295551256 1063584158 /nfs/dbraw/zinc/58/41/58/1063584158.db2.gz RJXHSVXKTNYONG-VQTJNVASSA-N 1 0 480.654 2.586 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001295551800 1063585176 /nfs/dbraw/zinc/58/51/76/1063585176.db2.gz VQTGCJWKEMVDHT-IYWMVGAKSA-N 1 0 479.622 2.669 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291276347 1063585607 /nfs/dbraw/zinc/58/56/07/1063585607.db2.gz KNQMMTZOKONLFA-DJIMGWMZSA-N 1 0 486.564 2.921 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295553729 1063586448 /nfs/dbraw/zinc/58/64/48/1063586448.db2.gz JWPVSQCXLYOUMG-JPYJTQIMSA-N 1 0 461.632 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001295553889 1063587032 /nfs/dbraw/zinc/58/70/32/1063587032.db2.gz MSDGUCJAIHXEMG-OSPHWJPCSA-N 1 0 458.607 2.655 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295553962 1063587438 /nfs/dbraw/zinc/58/74/38/1063587438.db2.gz NXKXJDFQUJJMIN-QGZVFWFLSA-N 1 0 458.607 2.798 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001295554157 1063587920 /nfs/dbraw/zinc/58/79/20/1063587920.db2.gz RKMKUDVTJPDGIT-QGZVFWFLSA-N 1 0 466.627 2.675 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001295554150 1063588022 /nfs/dbraw/zinc/58/80/22/1063588022.db2.gz RUXJPLPOJKTONF-MRXNPFEDSA-N 1 0 469.055 2.847 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCS(=O)CC1 ZINC001295559025 1063590765 /nfs/dbraw/zinc/59/07/65/1063590765.db2.gz CVGPSXFZNZFFIJ-GOSISDBHSA-N 1 0 485.658 2.535 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCO1 ZINC001295559029 1063590815 /nfs/dbraw/zinc/59/08/15/1063590815.db2.gz DBQJHCIFVMZMTE-QZTJIDSGSA-N 1 0 453.591 2.538 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001295559264 1063591846 /nfs/dbraw/zinc/59/18/46/1063591846.db2.gz DYCHBFHHYXHRQS-IEBWSBKVSA-N 1 0 480.617 2.677 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001295560687 1063594074 /nfs/dbraw/zinc/59/40/74/1063594074.db2.gz XBZOYLLFSDRJOG-RTBURBONSA-N 1 0 483.617 2.954 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001295561561 1063594931 /nfs/dbraw/zinc/59/49/31/1063594931.db2.gz WDJQEVKVVWYXGY-RTBURBONSA-N 1 0 480.654 2.922 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2ncccn2)CC1 ZINC001295562498 1063595514 /nfs/dbraw/zinc/59/55/14/1063595514.db2.gz BOTQOSSYHUNYNU-HXUWFJFHSA-N 1 0 464.618 2.724 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295562920 1063595955 /nfs/dbraw/zinc/59/59/55/1063595955.db2.gz IOPSUWZSTJHGMY-GOSISDBHSA-N 1 0 472.588 2.938 20 0 JFADRO C[C@@H]1OCC[C@@]12CN(c1nnc(COc3ccc(Cl)cc3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291280168 1063601720 /nfs/dbraw/zinc/60/17/20/1063601720.db2.gz BBNPFGYBLOMUGM-YDIMBITNSA-N 1 0 494.036 2.861 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001295567056 1063601805 /nfs/dbraw/zinc/60/18/05/1063601805.db2.gz GDBXOUKGJJVFBD-HXUWFJFHSA-N 1 0 474.675 2.862 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295567048 1063601867 /nfs/dbraw/zinc/60/18/67/1063601867.db2.gz FWMDFAHRESHYKN-IEBWSBKVSA-N 1 0 458.632 2.704 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C[C@]2(CCOC2)O1 ZINC001291280280 1063602547 /nfs/dbraw/zinc/60/25/47/1063602547.db2.gz CWTFIKJRUNIOCV-UUOWRZLLSA-N 1 0 461.582 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001295567934 1063602510 /nfs/dbraw/zinc/60/25/10/1063602510.db2.gz LNVHLQDNAPQVED-FYYLOGMGSA-N 1 0 466.634 2.713 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC001291280601 1063604174 /nfs/dbraw/zinc/60/41/74/1063604174.db2.gz JGPMJNOFGINWEB-ROUUACIJSA-N 1 0 464.010 2.971 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001295569677 1063604240 /nfs/dbraw/zinc/60/42/40/1063604240.db2.gz VSTXZCDTCSMJRW-HXUWFJFHSA-N 1 0 453.635 2.833 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001295570123 1063604931 /nfs/dbraw/zinc/60/49/31/1063604931.db2.gz KMYNSUJKDSSBDY-XXBNENTESA-N 1 0 497.644 2.662 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001295570707 1063606930 /nfs/dbraw/zinc/60/69/30/1063606930.db2.gz UKWRLEYMTKQAMC-LJQANCHMSA-N 1 0 456.591 2.975 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291281720 1063609603 /nfs/dbraw/zinc/60/96/03/1063609603.db2.gz CJIVJSMZOXFYIE-SFHVURJKSA-N 1 0 458.582 2.785 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001295573113 1063611537 /nfs/dbraw/zinc/61/15/37/1063611537.db2.gz RWOHFUDEFGCYBV-UJWQCDCRSA-N 1 0 492.621 2.893 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC(=O)N1C ZINC001291282307 1063612467 /nfs/dbraw/zinc/61/24/67/1063612467.db2.gz NLPIFJCSPMBDKM-GOSISDBHSA-N 1 0 458.582 2.785 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001295578659 1063618961 /nfs/dbraw/zinc/61/89/61/1063618961.db2.gz NUTLXCBCTCEQLE-LJQANCHMSA-N 1 0 481.645 2.725 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001295582711 1063625811 /nfs/dbraw/zinc/62/58/11/1063625811.db2.gz CNHNAECPZDKXGG-IBGZPJMESA-N 1 0 464.618 2.891 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001291285323 1063625999 /nfs/dbraw/zinc/62/59/99/1063625999.db2.gz OXSCKSAYFJHBRA-GXRSIYKFSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001291285324 1063626058 /nfs/dbraw/zinc/62/60/58/1063626058.db2.gz OXSCKSAYFJHBRA-LNRXMEIDSA-N 1 0 490.693 2.755 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001295583503 1063627233 /nfs/dbraw/zinc/62/72/33/1063627233.db2.gz HVJSPOIWSWTRON-UGKGYDQZSA-N 1 0 481.645 2.689 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001291287210 1063638014 /nfs/dbraw/zinc/63/80/14/1063638014.db2.gz XECUEWQFVVNLTQ-CADBVGFASA-N 1 0 450.628 2.719 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC001291287776 1063643044 /nfs/dbraw/zinc/64/30/44/1063643044.db2.gz HPSKIXOVUOQVLB-IYBDPMFKSA-N 1 0 491.438 2.905 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 ZINC001291288120 1063646688 /nfs/dbraw/zinc/64/66/88/1063646688.db2.gz NGMSYKCDYSTNFP-OSPHWJPCSA-N 1 0 492.571 2.749 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001295603685 1063648194 /nfs/dbraw/zinc/64/81/94/1063648194.db2.gz MWHPPVXDKDOFKD-IBGZPJMESA-N 1 0 463.648 2.803 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@@H](C)O1 ZINC001291288416 1063648524 /nfs/dbraw/zinc/64/85/24/1063648524.db2.gz SCGKMEPMAHMJHQ-RCCFBDPRSA-N 1 0 461.010 2.765 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288555 1063650301 /nfs/dbraw/zinc/65/03/01/1063650301.db2.gz UNAVLOOACLVKFE-WEMPKCCASA-N 1 0 490.674 2.511 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288880 1063653247 /nfs/dbraw/zinc/65/32/47/1063653247.db2.gz ZSKZJNYNKZOERE-ZWKOTPCHSA-N 1 0 461.010 2.766 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCN1CC(F)(F)F ZINC001291289170 1063654769 /nfs/dbraw/zinc/65/47/69/1063654769.db2.gz FQIDZTGUBNZBOJ-RTBURBONSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)F)CC2)C[C@@H](C)O1 ZINC001291289182 1063654878 /nfs/dbraw/zinc/65/48/78/1063654878.db2.gz FWDFFOFMMPKQGT-IAGOWNOFSA-N 1 0 483.995 2.880 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291289073 1063654899 /nfs/dbraw/zinc/65/48/99/1063654899.db2.gz DERPTRWKKMNRSX-GUDVDZBRSA-N 1 0 473.622 2.876 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCN1CC(F)(F)F ZINC001291289167 1063654920 /nfs/dbraw/zinc/65/49/20/1063654920.db2.gz FQIDZTGUBNZBOJ-MOPGFXCFSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cccn3C)nnc2N(CCO)Cc2ccccc2)C[C@@H](C)O1 ZINC001291289692 1063657975 /nfs/dbraw/zinc/65/79/75/1063657975.db2.gz OCIZRFZZEFQBTN-NHCUHLMSSA-N 1 0 452.603 2.782 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291289977 1063661536 /nfs/dbraw/zinc/66/15/36/1063661536.db2.gz SNVLDIVNWIDDNF-NJYVYQBISA-N 1 0 471.650 2.524 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)CCCO1 ZINC001291290064 1063662334 /nfs/dbraw/zinc/66/23/34/1063662334.db2.gz URSKOJHYUJTHJS-SFHVURJKSA-N 1 0 484.066 2.970 20 0 JFADRO C[C@@H](N1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290166 1063663087 /nfs/dbraw/zinc/66/30/87/1063663087.db2.gz VRVCMHCPRSTGOB-RTBURBONSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291290344 1063663923 /nfs/dbraw/zinc/66/39/23/1063663923.db2.gz YPASRWRIPJDTOV-ZWKOTPCHSA-N 1 0 461.010 2.766 20 0 JFADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291110 1063666678 /nfs/dbraw/zinc/66/66/78/1063666678.db2.gz KFMUSMGHLILRCA-UGTOYMOASA-N 1 0 484.645 2.892 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(CCC(F)(F)F)CC2CC2)C[C@H](C)O1 ZINC001291291052 1063666752 /nfs/dbraw/zinc/66/67/52/1063666752.db2.gz JHWBKNNCFSPCRU-SOLBZPMBSA-N 1 0 472.556 2.897 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291326 1063670285 /nfs/dbraw/zinc/67/02/85/1063670285.db2.gz NCMQQDIYVNYUOB-MBDNFAEBSA-N 1 0 476.666 2.760 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291292120 1063673941 /nfs/dbraw/zinc/67/39/41/1063673941.db2.gz ZBMFQTQLDCNBML-SOLBZPMBSA-N 1 0 455.529 2.957 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291292410 1063675898 /nfs/dbraw/zinc/67/58/98/1063675898.db2.gz DBNXBXHMWJXXMH-MOPGFXCFSA-N 1 0 475.037 2.690 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 ZINC001291292675 1063677596 /nfs/dbraw/zinc/67/75/96/1063677596.db2.gz HRTAWPSUFIPAQQ-NHCUHLMSSA-N 1 0 468.646 2.654 20 0 JFADRO C[C@@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291293111 1063681954 /nfs/dbraw/zinc/68/19/54/1063681954.db2.gz PEEIEYMNSZLZQG-VQTJNVASSA-N 1 0 495.594 2.838 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001291293234 1063683730 /nfs/dbraw/zinc/68/37/30/1063683730.db2.gz RETLGLKTABTMOJ-HXUWFJFHSA-N 1 0 474.675 2.736 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CC3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291293338 1063684330 /nfs/dbraw/zinc/68/43/30/1063684330.db2.gz 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20 0 JFADRO CC[C@@H](C)c1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451369 1064020588 /nfs/dbraw/zinc/02/05/88/1064020588.db2.gz CITZBHDMCPHEOF-IFMALSPDSA-N 1 0 489.686 2.690 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@@H]1C ZINC001291456206 1064022144 /nfs/dbraw/zinc/02/21/44/1064022144.db2.gz LWFDAHDJDMXWIN-BPYKYCOYSA-N 1 0 456.635 2.590 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(C)O)c2)C[C@@H]1C ZINC001295977505 1064023921 /nfs/dbraw/zinc/02/39/21/1064023921.db2.gz LGUMVHGXRBPWIX-RBUKOAKNSA-N 1 0 454.619 2.709 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001295977860 1064024964 /nfs/dbraw/zinc/02/49/64/1064024964.db2.gz QGRKKPLZRVDKAD-IKGGRYGDSA-N 1 0 480.455 2.675 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001295977867 1064025060 /nfs/dbraw/zinc/02/50/60/1064025060.db2.gz QGRKKPLZRVDKAD-YESZJQIVSA-N 1 0 480.455 2.675 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1064049214 /nfs/dbraw/zinc/04/92/14/1064049214.db2.gz DBLDQAIIUXXABW-HKBOAZHASA-N 1 0 465.639 2.651 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@H]1C ZINC001295995778 1064051498 /nfs/dbraw/zinc/05/14/98/1064051498.db2.gz JKKFMJSHAIOOOT-RTBURBONSA-N 1 0 456.639 2.532 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996166 1064052330 /nfs/dbraw/zinc/05/23/30/1064052330.db2.gz MPDXMUYSAGJQJW-DLBZAZTESA-N 1 0 469.590 2.672 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001295996489 1064052670 /nfs/dbraw/zinc/05/26/70/1064052670.db2.gz LIUBDGWNSNAECO-ZIFCJYIRSA-N 1 0 459.591 2.775 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@H]1C ZINC001295996942 1064053197 /nfs/dbraw/zinc/05/31/97/1064053197.db2.gz NSYVTKFXVRWOEK-QZTJIDSGSA-N 1 0 450.628 2.958 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C 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CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@H]1C ZINC001295998989 1064056173 /nfs/dbraw/zinc/05/61/73/1064056173.db2.gz YHSDKEMYQPLPBA-MSOLQXFVSA-N 1 0 478.592 2.653 20 0 JFADRO CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001296000355 1064057133 /nfs/dbraw/zinc/05/71/33/1064057133.db2.gz CJKQGEBRDYVRMH-MOPGFXCFSA-N 1 0 480.654 2.599 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296002076 1064057825 /nfs/dbraw/zinc/05/78/25/1064057825.db2.gz KKXLXDSGDFOQBM-SJORKVTESA-N 1 0 468.005 2.983 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296002734 1064058050 /nfs/dbraw/zinc/05/80/50/1064058050.db2.gz NSDYXNNRXZPDMM-IRFCIJBXSA-N 1 0 495.594 2.836 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001296003267 1064058240 /nfs/dbraw/zinc/05/82/40/1064058240.db2.gz SKSVJNXYVORHSC-FDFHNCONSA-N 1 0 468.646 2.591 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001296003208 1064058426 /nfs/dbraw/zinc/05/84/26/1064058426.db2.gz SBEYPDWICQOKDO-ROUUACIJSA-N 1 0 454.550 2.836 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001291508021 1064059286 /nfs/dbraw/zinc/05/92/86/1064059286.db2.gz DZLMNPRSKYZMOY-NRFANRHFSA-N 1 0 459.683 2.801 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001291510317 1064061639 /nfs/dbraw/zinc/06/16/39/1064061639.db2.gz SUPNSOKPMVHKLB-CTNGQTDRSA-N 1 0 459.683 2.701 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510504 1064062275 /nfs/dbraw/zinc/06/22/75/1064062275.db2.gz XFRQMYRLLHLHHU-GGAORHGYSA-N 1 0 497.688 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296008825 1064062546 /nfs/dbraw/zinc/06/25/46/1064062546.db2.gz BPOZYDZWJKWIQU-PMACEKPBSA-N 1 0 454.619 2.919 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008903 1064063396 /nfs/dbraw/zinc/06/33/96/1064063396.db2.gz BWXFXPIODSSPDG-HUUCEWRRSA-N 1 0 470.952 2.811 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009388 1064064400 /nfs/dbraw/zinc/06/44/00/1064064400.db2.gz FURBZMCVJSUZTI-LEWJYISDSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296009657 1064065839 /nfs/dbraw/zinc/06/58/39/1064065839.db2.gz IBWHAZZNPDLWJA-NHCUHLMSSA-N 1 0 486.661 2.895 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291514021 1064066924 /nfs/dbraw/zinc/06/69/24/1064066924.db2.gz LBIOYIIGOMYZRB-IBGZPJMESA-N 1 0 456.639 2.898 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009917 1064067496 /nfs/dbraw/zinc/06/74/96/1064067496.db2.gz JEKZYPCQEDWJEN-SFTDATJTSA-N 1 0 484.645 2.675 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001296010378 1064068579 /nfs/dbraw/zinc/06/85/79/1064068579.db2.gz PUHVGICAJYMMSB-RBUKOAKNSA-N 1 0 454.619 2.517 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C[C@H]1C ZINC001296010710 1064069107 /nfs/dbraw/zinc/06/91/07/1064069107.db2.gz CTHCQUOVWYGQQT-HKBOAZHASA-N 1 0 472.634 2.505 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296011243 1064070625 /nfs/dbraw/zinc/07/06/25/1064070625.db2.gz UNQAELYSLMEFDD-AOIWGVFYSA-N 1 0 458.573 2.803 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291522062 1064073880 /nfs/dbraw/zinc/07/38/80/1064073880.db2.gz YBUONBCNZWGPFE-SFTDATJTSA-N 1 0 459.683 2.514 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@H]1C ZINC001296016989 1064078282 /nfs/dbraw/zinc/07/82/82/1064078282.db2.gz WNLYRBDTIFYIID-MSOLQXFVSA-N 1 0 470.574 2.967 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001296019527 1064081762 /nfs/dbraw/zinc/08/17/62/1064081762.db2.gz ZPVFOMLWVKRTBG-QHCPKHFHSA-N 1 0 468.646 2.986 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001296021431 1064081970 /nfs/dbraw/zinc/08/19/70/1064081970.db2.gz HHEHXDXFCHHDQL-ICSRJNTNSA-N 1 0 454.685 2.883 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001296021788 1064082638 /nfs/dbraw/zinc/08/26/38/1064082638.db2.gz LTYKLEZEJHYPPW-UHFFFAOYSA-N 1 0 471.650 2.615 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001296023921 1064083783 /nfs/dbraw/zinc/08/37/83/1064083783.db2.gz PVOZVYUCULDSOG-UHFFFAOYSA-N 1 0 495.672 2.549 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001296024141 1064083998 /nfs/dbraw/zinc/08/39/98/1064083998.db2.gz SZXCJYPPKMDZDO-NRFANRHFSA-N 1 0 474.675 2.833 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3F)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001296024131 1064084096 /nfs/dbraw/zinc/08/40/96/1064084096.db2.gz SRPLKZLLLVYVDR-UHFFFAOYSA-N 1 0 458.582 2.677 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCCCO3)nnc2N2CCC(C(=O)NCCOC)CC2)CC1 ZINC001296024752 1064085040 /nfs/dbraw/zinc/08/50/40/1064085040.db2.gz HWWCMTOLWVVGJJ-JOCHJYFZSA-N 1 0 476.666 2.621 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001291542346 1064085428 /nfs/dbraw/zinc/08/54/28/1064085428.db2.gz PWOXPZMTSWRBPY-IPJJNNNSSA-N 1 0 457.671 2.867 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001296025702 1064085703 /nfs/dbraw/zinc/08/57/03/1064085703.db2.gz VWPXQIAAZBSMTH-FGZHOGPDSA-N 1 0 460.667 2.893 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001296026352 1064086066 /nfs/dbraw/zinc/08/60/66/1064086066.db2.gz CFAOKUNWOMZAAX-UHFFFAOYSA-N 1 0 475.588 2.731 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296030641 1064087979 /nfs/dbraw/zinc/08/79/79/1064087979.db2.gz GQTJVBOHZWJHSO-UXHICEINSA-N 1 0 489.665 2.784 20 0 JFADRO CC[NH+]1CCC(CCn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC001296030517 1064088008 /nfs/dbraw/zinc/08/80/08/1064088008.db2.gz GABLVPIWIIGDPV-UHFFFAOYSA-N 1 0 486.646 2.795 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031093 1064089070 /nfs/dbraw/zinc/08/90/70/1064089070.db2.gz PUEMMBIBGSCABA-IRLDBZIGSA-N 1 0 453.635 2.863 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001291545217 1064089151 /nfs/dbraw/zinc/08/91/51/1064089151.db2.gz XCONTEVXFSZLLU-IFMALSPDSA-N 1 0 496.722 2.544 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(F)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296031324 1064089396 /nfs/dbraw/zinc/08/93/96/1064089396.db2.gz UWRCBLSHLDUSGW-UHFFFAOYSA-N 1 0 458.582 2.787 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccccc3OC)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296031567 1064089465 /nfs/dbraw/zinc/08/94/65/1064089465.db2.gz VVVXJVCIOGSGBT-IBGZPJMESA-N 1 0 470.618 2.655 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001296031636 1064089733 /nfs/dbraw/zinc/08/97/33/1064089733.db2.gz YPBCINUPBRWXGK-LJQANCHMSA-N 1 0 489.665 2.692 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001296031611 1064089803 /nfs/dbraw/zinc/08/98/03/1064089803.db2.gz XWOFGVGOTLLGLY-FQEVSTJZSA-N 1 0 479.622 2.742 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)C1 ZINC001296032691 1064090092 /nfs/dbraw/zinc/09/00/92/1064090092.db2.gz BQOGSDNHLXDDET-RZUBCFFCSA-N 1 0 470.618 2.729 20 0 JFADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[N@H+](CC)C1 ZINC001296033318 1064091742 /nfs/dbraw/zinc/09/17/42/1064091742.db2.gz KXQIMECKLDCKJG-GJZGRUSLSA-N 1 0 475.084 2.972 20 0 JFADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC[N@H+](CC)C1 ZINC001296033317 1064091836 /nfs/dbraw/zinc/09/18/36/1064091836.db2.gz KXQIMECKLDCKJG-CABCVRRESA-N 1 0 475.084 2.972 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001296034588 1064093098 /nfs/dbraw/zinc/09/30/98/1064093098.db2.gz VWUPJKSPNFLFAH-WBVHZDCISA-N 1 0 488.580 2.885 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001296035004 1064093843 /nfs/dbraw/zinc/09/38/43/1064093843.db2.gz ACBJPNBXXSHOKR-LSDHHAIUSA-N 1 0 479.398 2.855 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296035848 1064095070 /nfs/dbraw/zinc/09/50/70/1064095070.db2.gz GFKHHQRJIWZEPZ-FUHWJXTLSA-N 1 0 496.475 2.981 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001296036077 1064095396 /nfs/dbraw/zinc/09/53/96/1064095396.db2.gz HASUNPBRNKHMGF-CVEARBPZSA-N 1 0 455.028 2.595 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001296036211 1064095811 /nfs/dbraw/zinc/09/58/11/1064095811.db2.gz HKLULFMDWGZWPN-KRWDZBQOSA-N 1 0 461.408 2.718 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296036850 1064096823 /nfs/dbraw/zinc/09/68/23/1064096823.db2.gz MWXLZJDNYQOIGC-WOJBJXKFSA-N 1 0 470.618 2.657 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC[C@H](CNC(C)=O)C2)C1 ZINC001296036848 1064096958 /nfs/dbraw/zinc/09/69/58/1064096958.db2.gz MWXLZJDNYQOIGC-UXHICEINSA-N 1 0 470.618 2.657 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCS(=O)(=O)NC(C)C ZINC001291571186 1064097681 /nfs/dbraw/zinc/09/76/81/1064097681.db2.gz RBYXRJJVNVTQCU-HXUWFJFHSA-N 1 0 462.664 2.832 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001296037876 1064097833 /nfs/dbraw/zinc/09/78/33/1064097833.db2.gz MOQHPIBYJWNETH-IAGOWNOFSA-N 1 0 462.545 2.980 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291571721 1064098315 /nfs/dbraw/zinc/09/83/15/1064098315.db2.gz WMTDUWYRLRDFNO-OAQYLSRUSA-N 1 0 454.619 2.753 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037915 1064098302 /nfs/dbraw/zinc/09/83/02/1064098302.db2.gz MUZVXEHWWKAIDW-SFHVURJKSA-N 1 0 491.658 2.708 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)C1 ZINC001296039721 1064099338 /nfs/dbraw/zinc/09/93/38/1064099338.db2.gz SRZDGSBJAVTEIN-ROUUACIJSA-N 1 0 472.590 2.581 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291577037 1064100263 /nfs/dbraw/zinc/10/02/63/1064100263.db2.gz DPRKJEXJXCWXRA-LEWJYISDSA-N 1 0 484.645 2.779 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296041233 1064101340 /nfs/dbraw/zinc/10/13/40/1064101340.db2.gz YYXRAUSMACCUCN-IBGZPJMESA-N 1 0 470.618 2.751 20 0 JFADRO 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2.642 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 ZINC001296080443 1064147488 /nfs/dbraw/zinc/14/74/88/1064147488.db2.gz LKFNRHPUJRIMBK-QFIPXVFZSA-N 1 0 453.635 2.838 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001296080576 1064147499 /nfs/dbraw/zinc/14/74/99/1064147499.db2.gz MTGPNYKJLPWPGS-PXNSSMCTSA-N 1 0 461.010 2.961 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296080910 1064148243 /nfs/dbraw/zinc/14/82/43/1064148243.db2.gz OFIVXMUDWUKTTD-PZJWPPBQSA-N 1 0 467.618 2.689 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296081002 1064148279 /nfs/dbraw/zinc/14/82/79/1064148279.db2.gz OXNXPZXDBSPREQ-INIZCTEOSA-N 1 0 481.523 2.693 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296081455 1064149251 /nfs/dbraw/zinc/14/92/51/1064149251.db2.gz UQIJGGZKHLPBOT-IBGZPJMESA-N 1 0 492.571 2.716 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296081451 1064149263 /nfs/dbraw/zinc/14/92/63/1064149263.db2.gz UJCQDKJPJBNQPA-HTAPYJJXSA-N 1 0 492.466 2.883 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296082758 1064150318 /nfs/dbraw/zinc/15/03/18/1064150318.db2.gz AIBIIIFYEMFEOV-SFHVURJKSA-N 1 0 461.010 2.768 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001291613499 1064150905 /nfs/dbraw/zinc/15/09/05/1064150905.db2.gz FXAOHKRWPHQXLK-SIKLNZKXSA-N 1 0 470.666 2.762 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296083608 1064151301 /nfs/dbraw/zinc/15/13/01/1064151301.db2.gz GPFKRTYMEMWZHL-QGZVFWFLSA-N 1 0 452.529 2.684 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001296084698 1064151814 /nfs/dbraw/zinc/15/18/14/1064151814.db2.gz NYDLYVLBOQTYFU-LEWJYISDSA-N 1 0 474.675 2.894 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001296084702 1064151834 /nfs/dbraw/zinc/15/18/34/1064151834.db2.gz NYDLYVLBOQTYFU-RTWAWAEBSA-N 1 0 474.675 2.894 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296084802 1064152267 /nfs/dbraw/zinc/15/22/67/1064152267.db2.gz OVPGFNOZNHDZCM-VQTJNVASSA-N 1 0 489.665 2.939 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085213 1064153242 /nfs/dbraw/zinc/15/32/42/1064153242.db2.gz CYEFFLWUJYQEAY-RTBURBONSA-N 1 0 456.591 2.627 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084962 1064153348 /nfs/dbraw/zinc/15/33/48/1064153348.db2.gz BLIPIALLZVIYSH-UXHICEINSA-N 1 0 489.665 2.545 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001296086546 1064155028 /nfs/dbraw/zinc/15/50/28/1064155028.db2.gz ZFNLAOLMRPAAHX-WMZOPIPTSA-N 1 0 454.545 2.626 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001291619334 1064157247 /nfs/dbraw/zinc/15/72/47/1064157247.db2.gz CIMJNQVQXLCJRY-ACRUOGEOSA-N 1 0 461.699 2.758 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001291619620 1064157721 /nfs/dbraw/zinc/15/77/21/1064157721.db2.gz DIRUDYNQIQSJPI-JOCHJYFZSA-N 1 0 481.689 2.914 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296089346 1064160595 /nfs/dbraw/zinc/16/05/95/1064160595.db2.gz OPPYJOYLOBMHCM-OAQYLSRUSA-N 1 0 490.674 2.736 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621868 1064162368 /nfs/dbraw/zinc/16/23/68/1064162368.db2.gz PZDKPSHMYYMIIN-OALUTQOASA-N 1 0 454.619 2.823 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296091781 1064163028 /nfs/dbraw/zinc/16/30/28/1064163028.db2.gz BVGNLCYEDIGNMG-RTWAWAEBSA-N 1 0 454.619 2.648 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296092683 1064165027 /nfs/dbraw/zinc/16/50/27/1064165027.db2.gz JPMQSLUTFJIHHC-PZJWPPBQSA-N 1 0 454.619 2.613 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 ZINC001296093758 1064166033 /nfs/dbraw/zinc/16/60/33/1064166033.db2.gz RAMVZOPUCZDNJI-QHCPKHFHSA-N 1 0 455.651 2.685 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291627057 1064168424 /nfs/dbraw/zinc/16/84/24/1064168424.db2.gz CKQZPDHKLANEFD-VQTJNVASSA-N 1 0 472.609 2.748 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095392 1064168553 /nfs/dbraw/zinc/16/85/53/1064168553.db2.gz ITYDJXXUBMGUGN-RXVVDRJESA-N 1 0 458.582 2.928 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296095999 1064169213 /nfs/dbraw/zinc/16/92/13/1064169213.db2.gz KYASJDVZELECHH-FQEVSTJZSA-N 1 0 470.618 2.511 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296096025 1064169249 /nfs/dbraw/zinc/16/92/49/1064169249.db2.gz KYXACOWEQIGYFY-CYFREDJKSA-N 1 0 458.582 2.833 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291628835 1064172159 /nfs/dbraw/zinc/17/21/59/1064172159.db2.gz PMAKJFSEHBHAKR-OFVILXPXSA-N 1 0 491.750 2.754 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001291629022 1064172564 /nfs/dbraw/zinc/17/25/64/1064172564.db2.gz CKGNUDXLBZMXGR-SIKLNZKXSA-N 1 0 459.683 2.703 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)[NH+](C)C)CC1=O ZINC001296102409 1064178022 /nfs/dbraw/zinc/17/80/22/1064178022.db2.gz GBWBEXMVTYAZSO-CYBMUJFWSA-N 1 0 455.426 2.778 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC001296104009 1064183140 /nfs/dbraw/zinc/18/31/40/1064183140.db2.gz ZMTOJURJMVYHBH-LJQANCHMSA-N 1 0 482.585 2.917 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001291637706 1064184629 /nfs/dbraw/zinc/18/46/29/1064184629.db2.gz JNRSOPASEJRKAR-WOJBJXKFSA-N 1 0 454.619 2.784 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291638443 1064185720 /nfs/dbraw/zinc/18/57/20/1064185720.db2.gz MWTKQZLPGAFUNV-GHTZIAJQSA-N 1 0 461.680 2.726 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638872 1064186062 /nfs/dbraw/zinc/18/60/62/1064186062.db2.gz KBBVZVJYFXKBED-TZIWHRDSSA-N 1 0 454.619 2.552 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638993 1064186513 /nfs/dbraw/zinc/18/65/13/1064186513.db2.gz LBXOGSZIGLOETM-KNQAVFIVSA-N 1 0 475.659 2.543 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC001296108698 1064186727 /nfs/dbraw/zinc/18/67/27/1064186727.db2.gz LWSIRLVCMBVMPM-NRFANRHFSA-N 1 0 451.575 2.643 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](OC)C(C)C ZINC001291639054 1064186967 /nfs/dbraw/zinc/18/69/67/1064186967.db2.gz LFXHMJMKPFFHBJ-FKBYEOEOSA-N 1 0 450.672 2.694 20 0 JFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)c2)CC1 ZINC001291640192 1064189001 /nfs/dbraw/zinc/18/90/01/1064189001.db2.gz BBBBFBYEFJJQTL-KRWDZBQOSA-N 1 0 456.493 2.654 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCO[C@H](C)C1 ZINC001291640268 1064189527 /nfs/dbraw/zinc/18/95/27/1064189527.db2.gz QVFANMJFNDOIGH-GSPCLOLRSA-N 1 0 462.683 2.838 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001291643397 1064193839 /nfs/dbraw/zinc/19/38/39/1064193839.db2.gz OPLLMMQJIQCFAE-ACRUOGEOSA-N 1 0 480.723 2.754 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291643440 1064194603 /nfs/dbraw/zinc/19/46/03/1064194603.db2.gz PDVMRWKMZDGSGB-GBESFXJTSA-N 1 0 476.588 2.602 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291644298 1064197358 /nfs/dbraw/zinc/19/73/58/1064197358.db2.gz WFRGQLDHDFEGBG-CBPXPLCBSA-N 1 0 480.723 2.611 20 0 JFADRO CCN1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(F)F)CC1=O ZINC001296117191 1064197878 /nfs/dbraw/zinc/19/78/78/1064197878.db2.gz MMLNAZBRSIQLAO-UHFFFAOYSA-N 1 0 489.615 2.747 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291644988 1064200557 /nfs/dbraw/zinc/20/05/57/1064200557.db2.gz XWICYOYGAKPVJQ-IBGZPJMESA-N 1 0 493.678 2.554 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[NH+]1CCCCCC1 ZINC001291645062 1064200591 /nfs/dbraw/zinc/20/05/91/1064200591.db2.gz ZATAVXHOCUJBCH-GOSISDBHSA-N 1 0 495.719 2.943 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC001296118736 1064201827 /nfs/dbraw/zinc/20/18/27/1064201827.db2.gz IYXTZONRVMUMEQ-FGZHOGPDSA-N 1 0 473.710 2.725 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291649902 1064203225 /nfs/dbraw/zinc/20/32/25/1064203225.db2.gz JRJXNWIGUWIMOG-FDFHNCONSA-N 1 0 475.682 2.875 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](C)[NH+](C)C)CC2)CC1 ZINC001296119098 1064203524 /nfs/dbraw/zinc/20/35/24/1064203524.db2.gz OQUWYJYTOKHMSX-LJQANCHMSA-N 1 0 471.650 2.567 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C)n4)n3CC[N@H+](C)C(C)C)CC2)CC1 ZINC001296119253 1064203928 /nfs/dbraw/zinc/20/39/28/1064203928.db2.gz QGEYOMWQTJDMHD-UHFFFAOYSA-N 1 0 496.704 2.759 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001296119466 1064204813 /nfs/dbraw/zinc/20/48/13/1064204813.db2.gz DTXNRTHMIGPUOK-QHCPKHFHSA-N 1 0 484.645 2.581 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001296119525 1064205211 /nfs/dbraw/zinc/20/52/11/1064205211.db2.gz FTGYYOZUTLZOOT-FQEVSTJZSA-N 1 0 470.618 2.656 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001291652174 1064205458 /nfs/dbraw/zinc/20/54/58/1064205458.db2.gz RIQQOAZCKOQIMZ-FPOVZHCZSA-N 1 0 467.618 2.786 20 0 JFADRO O=C(Cc1csc(NC(=O)c2cccc(O)c2)n1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001291653926 1064205890 /nfs/dbraw/zinc/20/58/90/1064205890.db2.gz OKJDQLNHWFRNBX-UHFFFAOYSA-N 1 0 451.552 2.819 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291654315 1064206709 /nfs/dbraw/zinc/20/67/09/1064206709.db2.gz GTEMDJVSSHFTMN-WIYYLYMNSA-N 1 0 454.619 2.580 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120083 1064207797 /nfs/dbraw/zinc/20/77/97/1064207797.db2.gz DJRZTKJWUAXVKU-PKOBYXMFSA-N 1 0 464.561 2.798 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296120133 1064208263 /nfs/dbraw/zinc/20/82/63/1064208263.db2.gz FGNDXUBEDXIDPO-QGZVFWFLSA-N 1 0 464.561 2.834 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296120117 1064208354 /nfs/dbraw/zinc/20/83/54/1064208354.db2.gz FDPFJNAHVSPNBC-PMACEKPBSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001296120231 1064208691 /nfs/dbraw/zinc/20/86/91/1064208691.db2.gz GJRLNVDAUJTJAH-UXHICEINSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001296120712 1064211047 /nfs/dbraw/zinc/21/10/47/1064211047.db2.gz KJAVTSPQGQTRSN-PXDATVDWSA-N 1 0 457.667 2.769 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296122565 1064215136 /nfs/dbraw/zinc/21/51/36/1064215136.db2.gz XTMPBYDRNBDXNL-REHUZNOOSA-N 1 0 486.661 2.850 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124156 1064216566 /nfs/dbraw/zinc/21/65/66/1064216566.db2.gz FRBGFPTUDYEOBB-KRWDZBQOSA-N 1 0 492.043 2.726 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291682312 1064216716 /nfs/dbraw/zinc/21/67/16/1064216716.db2.gz LFCVUTDIUGHELV-HXUWFJFHSA-N 1 0 480.723 2.755 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@H]2C)CC1 ZINC001296124347 1064217085 /nfs/dbraw/zinc/21/70/85/1064217085.db2.gz GXUIYTIBGPDURG-RBUKOAKNSA-N 1 0 474.675 2.930 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296125298 1064218630 /nfs/dbraw/zinc/21/86/30/1064218630.db2.gz LUCNMUNAFYDOBO-RBUKOAKNSA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296125569 1064219183 /nfs/dbraw/zinc/21/91/83/1064219183.db2.gz MUSHGNSEPDCKJD-HKUYNNGSSA-N 1 0 462.042 2.881 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001296126455 1064220386 /nfs/dbraw/zinc/22/03/86/1064220386.db2.gz QHRWTYSHVMHQPH-OALUTQOASA-N 1 0 467.618 2.536 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001296126443 1064220510 /nfs/dbraw/zinc/22/05/10/1064220510.db2.gz QEPXHEXPZGGYCT-PCCBWWKXSA-N 1 0 488.702 2.857 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296127361 1064221636 /nfs/dbraw/zinc/22/16/36/1064221636.db2.gz UXZYBVLBDKKSBI-NFQMXDRXSA-N 1 0 481.689 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128045 1064222062 /nfs/dbraw/zinc/22/20/62/1064222062.db2.gz XJDOERKBFNNASU-NHCUHLMSSA-N 1 0 498.676 2.812 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296130718 1064224099 /nfs/dbraw/zinc/22/40/99/1064224099.db2.gz GGBKBTWZAUOMGN-LJQANCHMSA-N 1 0 491.084 2.994 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131187 1064224968 /nfs/dbraw/zinc/22/49/68/1064224968.db2.gz HZBKQZPBYQEOET-RBUKOAKNSA-N 1 0 488.633 2.602 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131347 1064225029 /nfs/dbraw/zinc/22/50/29/1064225029.db2.gz JKDXLXBANAYMBN-MSOLQXFVSA-N 1 0 467.456 2.687 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296131352 1064225459 /nfs/dbraw/zinc/22/54/59/1064225459.db2.gz JVHITCFGRUROKN-FQEVSTJZSA-N 1 0 494.688 2.890 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131729 1064226484 /nfs/dbraw/zinc/22/64/84/1064226484.db2.gz LRABRJZOWDRNAV-CVEARBPZSA-N 1 0 487.596 2.920 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296131916 1064227473 /nfs/dbraw/zinc/22/74/73/1064227473.db2.gz NAZGQJGAFHXTEQ-VAMGGRTRSA-N 1 0 488.599 2.746 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296132098 1064228328 /nfs/dbraw/zinc/22/83/28/1064228328.db2.gz QXKCWYGJIZHFTN-OKZBNKHCSA-N 1 0 463.721 2.990 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132221 1064228860 /nfs/dbraw/zinc/22/88/60/1064228860.db2.gz PSAWOOKZAUQXGK-WZONZLPQSA-N 1 0 495.594 2.896 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291723647 1064229433 /nfs/dbraw/zinc/22/94/33/1064229433.db2.gz XVLIXGHIKSYJNM-PCCBWWKXSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)C[C@@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132584 1064230802 /nfs/dbraw/zinc/23/08/02/1064230802.db2.gz BRRZUPZOBFSKFK-YADHBBJMSA-N 1 0 481.689 2.592 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132788 1064231583 /nfs/dbraw/zinc/23/15/83/1064231583.db2.gz RTODUPXOLJHQKH-OXQOHEQNSA-N 1 0 478.016 2.684 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296133548 1064233502 /nfs/dbraw/zinc/23/35/02/1064233502.db2.gz IKDFAHXIQPHKER-KSEOMHKRSA-N 1 0 490.693 2.612 20 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CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291759418 1064239256 /nfs/dbraw/zinc/23/92/56/1064239256.db2.gz DYIDNKMNKXETLV-SXWKCWPCSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296135472 1064239587 /nfs/dbraw/zinc/23/95/87/1064239587.db2.gz YYGUDOZQDVQKRL-CDJZJNNCSA-N 1 0 462.683 2.836 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001291759455 1064239687 /nfs/dbraw/zinc/23/96/87/1064239687.db2.gz FRALZYGOYJYRFV-KGLIPLIRSA-N 1 0 454.417 2.584 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)OC)CC1 ZINC001291759753 1064240154 /nfs/dbraw/zinc/24/01/54/1064240154.db2.gz HYNTZEUYWYDALS-CQSZACIVSA-N 1 0 468.400 2.654 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759747 1064240497 /nfs/dbraw/zinc/24/04/97/1064240497.db2.gz JXGUBZUPLMHAQO-FHWLQOOXSA-N 1 0 496.653 2.758 20 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CC[NH+]1CCN(c2ccc(Cn3c(N(C)CCN4CCOC(C)(C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001296137882 1064244285 /nfs/dbraw/zinc/24/42/85/1064244285.db2.gz SKPOSHPULWWAQV-UHFFFAOYSA-N 1 0 498.720 2.708 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)C[C@@H]1C ZINC001296137862 1064244410 /nfs/dbraw/zinc/24/44/10/1064244410.db2.gz RYJXLNUHHYVQDJ-INIZCTEOSA-N 1 0 468.524 2.936 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 ZINC001291763797 1064244678 /nfs/dbraw/zinc/24/46/78/1064244678.db2.gz XJZCGAAVNZKYHH-INIZCTEOSA-N 1 0 468.444 2.534 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291763862 1064244782 /nfs/dbraw/zinc/24/47/82/1064244782.db2.gz YCGWGDKOQCRLNP-QGZVFWFLSA-N 1 0 493.450 2.733 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 ZINC001291764430 1064245113 /nfs/dbraw/zinc/24/51/13/1064245113.db2.gz CUZIGGQKSPMLMC-SFHVURJKSA-N 1 0 458.607 2.751 20 0 JFADRO 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O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001291769518 1064251857 /nfs/dbraw/zinc/25/18/57/1064251857.db2.gz YBQSFGTUDFWSCH-GOSISDBHSA-N 1 0 456.978 2.519 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC001296143412 1064252574 /nfs/dbraw/zinc/25/25/74/1064252574.db2.gz PZMXAPBEEVPJDN-RBUKOAKNSA-N 1 0 459.591 2.546 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291771257 1064252987 /nfs/dbraw/zinc/25/29/87/1064252987.db2.gz HJHKFLGKQPPLAO-IBGZPJMESA-N 1 0 454.623 2.694 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001291771266 1064253106 /nfs/dbraw/zinc/25/31/06/1064253106.db2.gz HLYRJKKYTURGIK-NVXWUHKLSA-N 1 0 453.513 2.575 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001291771268 1064253444 /nfs/dbraw/zinc/25/34/44/1064253444.db2.gz HLYRJKKYTURGIK-WBVHZDCISA-N 1 0 453.513 2.575 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291771391 1064253757 /nfs/dbraw/zinc/25/37/57/1064253757.db2.gz DNSZFLABLHHVAD-JXFKEZNVSA-N 1 0 461.561 2.564 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291771963 1064254751 /nfs/dbraw/zinc/25/47/51/1064254751.db2.gz MLARBPGRGDDSLW-GOSISDBHSA-N 1 0 466.565 2.567 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2c(C)coc2C)C[C@@H]1C ZINC001296144963 1064254861 /nfs/dbraw/zinc/25/48/61/1064254861.db2.gz BPTIKXRDCGZFTG-SFHVURJKSA-N 1 0 486.642 2.984 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001291772015 1064255117 /nfs/dbraw/zinc/25/51/17/1064255117.db2.gz NHNYMVFKPFXJAF-MOPGFXCFSA-N 1 0 458.655 2.786 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296145114 1064255360 /nfs/dbraw/zinc/25/53/60/1064255360.db2.gz DAVBRQWCWYJSBM-OAHLLOKOSA-N 1 0 491.434 2.773 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001296145095 1064255518 /nfs/dbraw/zinc/25/55/18/1064255518.db2.gz CYXDMIMETUHLJD-GOSISDBHSA-N 1 0 462.664 2.712 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cn2)C[C@@H]1C ZINC001296145148 1064255536 /nfs/dbraw/zinc/25/55/36/1064255536.db2.gz MBBUDJHQDLYSFP-INIZCTEOSA-N 1 0 470.965 2.583 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 ZINC001291772480 1064255766 /nfs/dbraw/zinc/25/57/66/1064255766.db2.gz OVJNEEILLCOJBM-ZWKOTPCHSA-N 1 0 463.652 2.584 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001291772349 1064255785 /nfs/dbraw/zinc/25/57/85/1064255785.db2.gz POCPDOPLWNZYCZ-IBGZPJMESA-N 1 0 480.592 2.957 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](OC)C1 ZINC001291772487 1064256257 /nfs/dbraw/zinc/25/62/57/1064256257.db2.gz PCLFLZANVZATGV-MSOLQXFVSA-N 1 0 453.591 2.538 20 0 JFADRO 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JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001296147896 1064258858 /nfs/dbraw/zinc/25/88/58/1064258858.db2.gz UIBYYDOUZDAXGS-MOPGFXCFSA-N 1 0 478.663 2.502 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001296147897 1064258965 /nfs/dbraw/zinc/25/89/65/1064258965.db2.gz UIBYYDOUZDAXGS-OALUTQOASA-N 1 0 478.663 2.502 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)C[C@@H]1C ZINC001296148538 1064260352 /nfs/dbraw/zinc/26/03/52/1064260352.db2.gz XRHIRNZGLFXGEQ-GOEBONIOSA-N 1 0 478.594 2.661 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291774095 1064261663 /nfs/dbraw/zinc/26/16/63/1064261663.db2.gz LMIGPADECMAJCS-CNNODRBYSA-N 1 0 491.658 2.924 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCCN2CCOC2=O)C[C@@H]1C ZINC001296151239 1064263008 /nfs/dbraw/zinc/26/30/08/1064263008.db2.gz WEOBACGPGWQEEC-INIZCTEOSA-N 1 0 462.982 2.980 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001291775235 1064264006 /nfs/dbraw/zinc/26/40/06/1064264006.db2.gz VRTSTSQIBBJEDQ-AZUAARDMSA-N 1 0 452.669 2.670 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@](C)(O)CCC(C)C)C[C@@H]1C ZINC001296154438 1064264934 /nfs/dbraw/zinc/26/49/34/1064264934.db2.gz FLSGLURCUCLIPT-AFMDSPMNSA-N 1 0 481.645 2.910 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@](C)(O)CC)C[C@H]1C ZINC001296154450 1064265585 /nfs/dbraw/zinc/26/55/85/1064265585.db2.gz FOCWSCSVKFFGLB-CJAUYULYSA-N 1 0 467.618 2.927 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001291778940 1064266760 /nfs/dbraw/zinc/26/67/60/1064266760.db2.gz MYZQNERAHVCDTG-NRFANRHFSA-N 1 0 483.661 2.946 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 ZINC001291778961 1064266844 /nfs/dbraw/zinc/26/68/44/1064266844.db2.gz NENMPBZCPGOKPN-IBGZPJMESA-N 1 0 452.582 2.855 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001296155307 1064267086 /nfs/dbraw/zinc/26/70/86/1064267086.db2.gz NWTJZTSGPQINCW-ZDUSSCGKSA-N 1 0 452.510 2.984 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001291778994 1064267374 /nfs/dbraw/zinc/26/73/74/1064267374.db2.gz NPROQJLEDATSDW-HXUWFJFHSA-N 1 0 466.634 2.668 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291781759 1064268897 /nfs/dbraw/zinc/26/88/97/1064268897.db2.gz HSDQRIPATVUEFS-FQEVSTJZSA-N 1 0 463.630 2.840 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001296156854 1064269234 /nfs/dbraw/zinc/26/92/34/1064269234.db2.gz WACLUPMYIUYQPI-IBGZPJMESA-N 1 0 451.575 2.647 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001291782291 1064270517 /nfs/dbraw/zinc/27/05/17/1064270517.db2.gz CKIPCUPATMQJRM-VQIMIIECSA-N 1 0 470.039 2.864 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296157507 1064270661 /nfs/dbraw/zinc/27/06/61/1064270661.db2.gz YJSPLBRSCLVYOI-WSTZPKSXSA-N 1 0 470.622 2.911 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001296158185 1064271221 /nfs/dbraw/zinc/27/12/21/1064271221.db2.gz GQVZYQWZQPBGHX-KNOQFWTLSA-N 1 0 492.665 2.932 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001296159507 1064273637 /nfs/dbraw/zinc/27/36/37/1064273637.db2.gz MHGCNPNLWVFYES-SJLPKXTDSA-N 1 0 468.524 2.891 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCc2ccccn2)C[C@@H]1C ZINC001296162153 1064275645 /nfs/dbraw/zinc/27/56/45/1064275645.db2.gz SOIADGGAFNAEPD-PZJWPPBQSA-N 1 0 485.633 2.755 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291783918 1064277830 /nfs/dbraw/zinc/27/78/30/1064277830.db2.gz PITWTXQHMXABGQ-PMACEKPBSA-N 1 0 463.648 2.828 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001291783842 1064277854 /nfs/dbraw/zinc/27/78/54/1064277854.db2.gz CDSSESHXVZWONB-DENIHFKCSA-N 1 0 488.608 2.727 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291783920 1064277868 /nfs/dbraw/zinc/27/78/68/1064277868.db2.gz PITWTXQHMXABGQ-VQTJNVASSA-N 1 0 463.648 2.828 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001291784379 1064278979 /nfs/dbraw/zinc/27/89/79/1064278979.db2.gz GYSZBWNYEDTRFI-IAGOWNOFSA-N 1 0 462.599 2.794 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001291784435 1064279413 /nfs/dbraw/zinc/27/94/13/1064279413.db2.gz RASJLXZAPHOVFO-YKSBVNFPSA-N 1 0 475.659 2.911 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291784853 1064279594 /nfs/dbraw/zinc/27/95/94/1064279594.db2.gz SJUAFCQMPNHZGV-FQEVSTJZSA-N 1 0 479.629 2.861 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC=CO2)C[C@@H]1C ZINC001296163716 1064279712 /nfs/dbraw/zinc/27/97/12/1064279712.db2.gz YGYCWIZAMWSVGR-ZCNNSNEGSA-N 1 0 476.622 2.810 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296163935 1064280720 /nfs/dbraw/zinc/28/07/20/1064280720.db2.gz ZNXQAJDJCSCNAN-HKUYNNGSSA-N 1 0 458.573 2.977 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296164677 1064281648 /nfs/dbraw/zinc/28/16/48/1064281648.db2.gz ARDLNIVBKIVEAA-FQEVSTJZSA-N 1 0 450.587 2.751 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296164738 1064282243 /nfs/dbraw/zinc/28/22/43/1064282243.db2.gz BNHYMCPODQFRBH-YLJYHZDGSA-N 1 0 474.654 2.831 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 ZINC001291786298 1064283010 /nfs/dbraw/zinc/28/30/10/1064283010.db2.gz SCMXLRLKONOIKX-DYXWJJEUSA-N 1 0 475.613 2.593 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001291786790 1064283659 /nfs/dbraw/zinc/28/36/59/1064283659.db2.gz VKCHBNOZYWOMMH-PUHATCMVSA-N 1 0 490.693 2.961 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001296166145 1064286298 /nfs/dbraw/zinc/28/62/98/1064286298.db2.gz LREJEAQJURUKDD-GOSISDBHSA-N 1 0 484.626 2.888 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001296166213 1064286811 /nfs/dbraw/zinc/28/68/11/1064286811.db2.gz NAGLIBDIGQEAIZ-UPCLLVRISA-N 1 0 486.642 2.918 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001296166574 1064287676 /nfs/dbraw/zinc/28/76/76/1064287676.db2.gz CKXHZLFBKIXBOV-INIZCTEOSA-N 1 0 460.508 2.846 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296166224 1064287716 /nfs/dbraw/zinc/28/77/16/1064287716.db2.gz NHBGFRHKKJANAT-YADHBBJMSA-N 1 0 456.635 2.664 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3cccnc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001296166576 1064287794 /nfs/dbraw/zinc/28/77/94/1064287794.db2.gz CKXHZLFBKIXBOV-MRXNPFEDSA-N 1 0 460.508 2.846 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296167124 1064290113 /nfs/dbraw/zinc/29/01/13/1064290113.db2.gz QSPJYRGWMDCYJW-NRFANRHFSA-N 1 0 456.635 2.807 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cccc(Cl)c3C)C2)CC1 ZINC001296173048 1064294894 /nfs/dbraw/zinc/29/48/94/1064294894.db2.gz ASLNVXWWKRHLBK-HXUWFJFHSA-N 1 0 474.053 2.643 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296173920 1064299481 /nfs/dbraw/zinc/29/94/81/1064299481.db2.gz MREYACWEZDVLKU-SFHVURJKSA-N 1 0 454.550 2.582 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001291795802 1064301038 /nfs/dbraw/zinc/30/10/38/1064301038.db2.gz IFSWOWHRYIXHPM-SFHVURJKSA-N 1 0 470.618 2.942 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296174442 1064302067 /nfs/dbraw/zinc/30/20/67/1064302067.db2.gz QPILIONQBQCFGA-CVDCTZTESA-N 1 0 483.661 2.646 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001296175288 1064304358 /nfs/dbraw/zinc/30/43/58/1064304358.db2.gz WLALWWWMCXQBLY-IBGZPJMESA-N 1 0 470.647 2.583 20 0 JFADRO CCN1CCN(C2CCN(c3nnc([C@@H]4CCCCO4)n3CC[N@H+](CC)C(C)C)CC2)C1=O ZINC001296178617 1064305679 /nfs/dbraw/zinc/30/56/79/1064305679.db2.gz BMDSTERPERJIGT-NRFANRHFSA-N 1 0 461.655 2.976 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178938 1064307279 /nfs/dbraw/zinc/30/72/79/1064307279.db2.gz CPZWLYCHIKIPQR-GBXCKJPGSA-N 1 0 480.723 2.677 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CC[S@@](=O)C(C)(C)C)C2)CC1 ZINC001296179576 1064309186 /nfs/dbraw/zinc/30/91/86/1064309186.db2.gz HHYMJDSLJKKJAI-PLTNMMHCSA-N 1 0 450.697 2.699 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296180742 1064312325 /nfs/dbraw/zinc/31/23/25/1064312325.db2.gz QSKUEZKPDGECHH-CVDCTZTESA-N 1 0 462.042 2.617 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001291802818 1064313321 /nfs/dbraw/zinc/31/33/21/1064313321.db2.gz FQXPCZSYGOJEIP-WOJBJXKFSA-N 1 0 479.629 2.955 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](C)[NH+](C)C)CC2)C1=O ZINC001296181487 1064315545 /nfs/dbraw/zinc/31/55/45/1064315545.db2.gz YSQSDRWJCSSSTD-MRXNPFEDSA-N 1 0 461.014 2.670 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181640 1064317114 /nfs/dbraw/zinc/31/71/14/1064317114.db2.gz AEQMEWKSKVWEFU-TZIWHRDSSA-N 1 0 475.682 2.702 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181936 1064319882 /nfs/dbraw/zinc/31/98/82/1064319882.db2.gz HVKDEAONHHKDSZ-HSZRJFAPSA-N 1 0 497.688 2.918 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296182595 1064323935 /nfs/dbraw/zinc/32/39/35/1064323935.db2.gz UYIXTYHISNISGJ-IBGZPJMESA-N 1 0 473.691 2.794 20 0 JFADRO CN1CC[NH+](CC2(C)CCN(C(=O)Cc3ccccc3I)CC2)CC1 ZINC001296182498 1064323965 /nfs/dbraw/zinc/32/39/65/1064323965.db2.gz GEEBLFVBEYZNQV-UHFFFAOYSA-N 1 0 455.384 2.710 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001296182881 1064325426 /nfs/dbraw/zinc/32/54/26/1064325426.db2.gz ALKAOAQHQOCAHV-WMZHIEFXSA-N 1 0 488.080 2.977 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296182991 1064326004 /nfs/dbraw/zinc/32/60/04/1064326004.db2.gz XJQHYVHXWYFYFU-OFNKIYASSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(c3ccccc3)C2)CC1 ZINC001296183511 1064328909 /nfs/dbraw/zinc/32/89/09/1064328909.db2.gz DRLXOKLIYLPPQP-QFIPXVFZSA-N 1 0 479.673 2.984 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001296183826 1064329754 /nfs/dbraw/zinc/32/97/54/1064329754.db2.gz GOTYKQPMBCBULV-LEWJYISDSA-N 1 0 456.635 2.700 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296183858 1064330254 /nfs/dbraw/zinc/33/02/54/1064330254.db2.gz HHKFMABKQMQDAC-IBGZPJMESA-N 1 0 476.069 2.833 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001296184088 1064331177 /nfs/dbraw/zinc/33/11/77/1064331177.db2.gz IVGBQCJRGDWXBC-ZWKOTPCHSA-N 1 0 492.043 2.678 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296184991 1064332982 /nfs/dbraw/zinc/33/29/82/1064332982.db2.gz NCWCPUMQBGMPAB-SFHVURJKSA-N 1 0 483.583 2.804 20 0 JFADRO CCn1cc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cn1 ZINC001296185683 1064333659 /nfs/dbraw/zinc/33/36/59/1064333659.db2.gz QNQAZHLYKWEBMU-LJQANCHMSA-N 1 0 454.623 2.973 20 0 JFADRO CC[C@@H]1CN(C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001296188529 1064334861 /nfs/dbraw/zinc/33/48/61/1064334861.db2.gz LELYRVHKURNMOB-GOSISDBHSA-N 1 0 450.539 2.687 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001291810656 1064336747 /nfs/dbraw/zinc/33/67/47/1064336747.db2.gz YMUOMHOHRMFWHY-GOSISDBHSA-N 1 0 480.617 2.677 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001296190031 1064336899 /nfs/dbraw/zinc/33/68/99/1064336899.db2.gz AZXBNHKRGSTMNH-GMAHTHKFSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)CC1 ZINC001296190364 1064337847 /nfs/dbraw/zinc/33/78/47/1064337847.db2.gz CODHTXQTMQDVFV-LJQANCHMSA-N 1 0 479.670 2.664 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296191607 1064342609 /nfs/dbraw/zinc/34/26/09/1064342609.db2.gz KEBKARGLMFEBNW-HXUWFJFHSA-N 1 0 464.699 2.976 20 0 JFADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001291814378 1064342708 /nfs/dbraw/zinc/34/27/08/1064342708.db2.gz IAPXPSBGIJVQRF-SFTDATJTSA-N 1 0 451.633 2.933 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001291814997 1064343427 /nfs/dbraw/zinc/34/34/27/1064343427.db2.gz BIQRQUIISQKQCR-UXHICEINSA-N 1 0 453.635 2.879 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001291815615 1064344560 /nfs/dbraw/zinc/34/45/60/1064344560.db2.gz ABCSETFBYPVQFY-PZJWPPBQSA-N 1 0 472.609 2.938 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)CC1 ZINC001296192407 1064345306 /nfs/dbraw/zinc/34/53/06/1064345306.db2.gz DWKIPBROKMVGBT-FYYLOGMGSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@H]2C)CC1 ZINC001296192410 1064345461 /nfs/dbraw/zinc/34/54/61/1064345461.db2.gz DWKIPBROKMVGBT-JTHBVZDNSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC(Nc4cccnn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296192420 1064345942 /nfs/dbraw/zinc/34/59/42/1064345942.db2.gz FBBYUAJJKVHUGM-FQEVSTJZSA-N 1 0 469.682 2.720 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296192801 1064347361 /nfs/dbraw/zinc/34/73/61/1064347361.db2.gz GPNLFARUOWHYJW-NHCUHLMSSA-N 1 0 456.635 2.986 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(F)(F)C2)CC1 ZINC001296192796 1064347391 /nfs/dbraw/zinc/34/73/91/1064347391.db2.gz NSKNGJDNKUATDF-IBGZPJMESA-N 1 0 462.589 2.997 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193156 1064348742 /nfs/dbraw/zinc/34/87/42/1064348742.db2.gz HQCRARZZSUJHMY-FPOVZHCZSA-N 1 0 475.682 2.923 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001296193254 1064349453 /nfs/dbraw/zinc/34/94/53/1064349453.db2.gz ORFJHGFJTMQDMX-IBGZPJMESA-N 1 0 455.582 2.906 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193355 1064350231 /nfs/dbraw/zinc/35/02/31/1064350231.db2.gz IKEMZKDDJBZGJZ-QUCCMNQESA-N 1 0 458.655 2.925 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296193557 1064351752 /nfs/dbraw/zinc/35/17/52/1064351752.db2.gz JSAQNECAAJNSPA-PMACEKPBSA-N 1 0 488.080 2.929 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291818211 1064353340 /nfs/dbraw/zinc/35/33/40/1064353340.db2.gz RGRRZBOPKIKTCI-VSKRKVRLSA-N 1 0 497.688 2.894 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296194338 1064354617 /nfs/dbraw/zinc/35/46/17/1064354617.db2.gz RIFHOEZOSIXMOO-NHCUHLMSSA-N 1 0 489.709 2.950 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001296194419 1064356120 /nfs/dbraw/zinc/35/61/20/1064356120.db2.gz SGTTXFKQCDTGDN-FGZHOGPDSA-N 1 0 464.699 2.771 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296194537 1064356866 /nfs/dbraw/zinc/35/68/66/1064356866.db2.gz MKIOJVNCFNEHIF-VWLOTQADSA-N 1 0 468.650 2.970 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC001296194870 1064358197 /nfs/dbraw/zinc/35/81/97/1064358197.db2.gz HCYULTDIGAHUPV-UHFFFAOYSA-N 1 0 469.682 2.553 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001296194979 1064358316 /nfs/dbraw/zinc/35/83/16/1064358316.db2.gz UIDDZFKJCZZNNS-PMACEKPBSA-N 1 0 473.691 2.933 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195041 1064359096 /nfs/dbraw/zinc/35/90/96/1064359096.db2.gz UUXXRGFCLBJBNJ-FGZHOGPDSA-N 1 0 456.683 2.553 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195642 1064359896 /nfs/dbraw/zinc/35/98/96/1064359896.db2.gz PRWHKFYQBJRPTH-RBBKRZOGSA-N 1 0 498.676 2.717 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)CC1 ZINC001296195280 1064360305 /nfs/dbraw/zinc/36/03/05/1064360305.db2.gz NVTXNSSJGKROFN-UHFFFAOYSA-N 1 0 492.043 2.759 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195330 1064360339 /nfs/dbraw/zinc/36/03/39/1064360339.db2.gz OTBBKGBCJFBJPI-HZLPDVBGSA-N 1 0 492.709 2.671 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCCN(c4nc(C)ns4)CC3)nnc2C(C)(C)C)CC1 ZINC001296195281 1064360402 /nfs/dbraw/zinc/36/04/02/1064360402.db2.gz NVUWAKUJESLYSO-IBGZPJMESA-N 1 0 489.738 2.726 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001296195284 1064360427 /nfs/dbraw/zinc/36/04/27/1064360427.db2.gz NWZONYCDCVMVHZ-NRFANRHFSA-N 1 0 486.709 2.807 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)cn3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296195395 1064360953 /nfs/dbraw/zinc/36/09/53/1064360953.db2.gz JFVVMERVGHAWRY-UHFFFAOYSA-N 1 0 494.482 2.689 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296195693 1064363259 /nfs/dbraw/zinc/36/32/59/1064363259.db2.gz QHSGFGMZCAXMRG-WOJBJXKFSA-N 1 0 488.080 2.964 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195871 1064364156 /nfs/dbraw/zinc/36/41/56/1064364156.db2.gz RIMDIMVJLVGEMM-LVXARBLLSA-N 1 0 486.709 2.809 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296196490 1064366331 /nfs/dbraw/zinc/36/63/31/1064366331.db2.gz TYUHMXAYGBBLSX-JOCHJYFZSA-N 1 0 473.710 2.904 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296196492 1064366401 /nfs/dbraw/zinc/36/64/01/1064366401.db2.gz TYUHMXAYGBBLSX-QFIPXVFZSA-N 1 0 473.710 2.904 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(OC)c3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296196675 1064369599 /nfs/dbraw/zinc/36/95/99/1064369599.db2.gz RMJKDPCKPWPYKB-UHFFFAOYSA-N 1 0 456.635 2.987 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001291824112 1064369875 /nfs/dbraw/zinc/36/98/75/1064369875.db2.gz VFBDMSBMBRXNOW-GIWBLDEGSA-N 1 0 485.652 2.742 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296197075 1064372760 /nfs/dbraw/zinc/37/27/60/1064372760.db2.gz SQAXSBBXIRAVII-NRFANRHFSA-N 1 0 458.680 2.731 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296197131 1064373544 /nfs/dbraw/zinc/37/35/44/1064373544.db2.gz UXDULILSNQZYES-FQEVSTJZSA-N 1 0 472.634 2.605 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296197453 1064374103 /nfs/dbraw/zinc/37/41/03/1064374103.db2.gz WBJGQAMKSGIFSL-FQEVSTJZSA-N 1 0 474.053 2.718 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296202220 1064376975 /nfs/dbraw/zinc/37/69/75/1064376975.db2.gz GLDBLYJJSVZZCR-HXUWFJFHSA-N 1 0 460.598 2.639 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001296202173 1064377059 /nfs/dbraw/zinc/37/70/59/1064377059.db2.gz FZHKULGGLWBUFS-OAQYLSRUSA-N 1 0 474.053 2.937 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3csc(C)n3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296202754 1064379103 /nfs/dbraw/zinc/37/91/03/1064379103.db2.gz HUOKYHZVCBRWAS-UHFFFAOYSA-N 1 0 453.607 2.897 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CSc3ccc(C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001296202947 1064379248 /nfs/dbraw/zinc/37/92/48/1064379248.db2.gz IXIVPNSSBCWOSD-UHFFFAOYSA-N 1 0 485.702 2.623 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291828529 1064380512 /nfs/dbraw/zinc/38/05/12/1064380512.db2.gz PYUODTBGPFQIFI-AQNXPRMDSA-N 1 0 491.681 2.884 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296203539 1064381171 /nfs/dbraw/zinc/38/11/71/1064381171.db2.gz AWHLSKHUWRJVFQ-CTNGQTDRSA-N 1 0 492.665 2.544 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296203541 1064382021 /nfs/dbraw/zinc/38/20/21/1064382021.db2.gz AWHLSKHUWRJVFQ-PZJWPPBQSA-N 1 0 492.665 2.544 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296203759 1064382777 /nfs/dbraw/zinc/38/27/77/1064382777.db2.gz PAKJQLHVRVURME-FQEVSTJZSA-N 1 0 463.671 2.875 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203946 1064384140 /nfs/dbraw/zinc/38/41/40/1064384140.db2.gz DXOUDJLXTXRLLA-UHFFFAOYSA-N 1 0 458.561 2.621 20 0 JFADRO CCN1CC[NH+](CCCCn2c(N3CCC[C@@H](C(=O)NCC4CC4)C3)nnc2C(C)(C)C)CC1 ZINC001296204106 1064384988 /nfs/dbraw/zinc/38/49/88/1064384988.db2.gz SASCNGXWKDKMKY-JOCHJYFZSA-N 1 0 473.710 2.736 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001296204385 1064385627 /nfs/dbraw/zinc/38/56/27/1064385627.db2.gz VBNQMBWVCNVBLL-UHFFFAOYSA-N 1 0 480.617 2.799 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296205200 1064389436 /nfs/dbraw/zinc/38/94/36/1064389436.db2.gz YHNSSNPBZBYRHF-PZJWPPBQSA-N 1 0 475.682 2.923 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205567 1064390984 /nfs/dbraw/zinc/39/09/84/1064390984.db2.gz WPAAZGRLZPGGLA-RXVVDRJESA-N 1 0 457.598 2.593 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296205288 1064391107 /nfs/dbraw/zinc/39/11/07/1064391107.db2.gz RTZPKXMIKDUDIS-QFIPXVFZSA-N 1 0 483.661 2.583 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291832080 1064394605 /nfs/dbraw/zinc/39/46/05/1064394605.db2.gz FVYFXUSGQLWIBW-FCHUYYIVSA-N 1 0 496.704 2.887 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296206360 1064395310 /nfs/dbraw/zinc/39/53/10/1064395310.db2.gz OIIQBBFQMUXLJY-UHFFFAOYSA-N 1 0 463.424 2.572 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296206446 1064396202 /nfs/dbraw/zinc/39/62/02/1064396202.db2.gz RDEMSVAAEZERBK-GOSISDBHSA-N 1 0 463.026 2.860 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296207577 1064397892 /nfs/dbraw/zinc/39/78/92/1064397892.db2.gz YLVRSWXAXLBZRC-NFBKMPQASA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296209913 1064400119 /nfs/dbraw/zinc/40/01/19/1064400119.db2.gz BLONBJFFQNJFIG-FQEVSTJZSA-N 1 0 484.542 2.803 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3csc(C)n3)nnc2N2CCC(COC)CC2)CC1 ZINC001296211347 1064402688 /nfs/dbraw/zinc/40/26/88/1064402688.db2.gz NSQNUGHKKHLLEG-UHFFFAOYSA-N 1 0 461.680 2.524 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001296211785 1064402818 /nfs/dbraw/zinc/40/28/18/1064402818.db2.gz PQQZWKQXWXYLKL-UHFFFAOYSA-N 1 0 476.714 2.524 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296212393 1064403760 /nfs/dbraw/zinc/40/37/60/1064403760.db2.gz YBHVNOVLAITKGP-NRFANRHFSA-N 1 0 456.635 2.520 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296212965 1064405092 /nfs/dbraw/zinc/40/50/92/1064405092.db2.gz DBEBAKWCUZZCTC-LEWJYISDSA-N 1 0 491.681 2.603 20 0 JFADRO CCn1nc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001296212985 1064405170 /nfs/dbraw/zinc/40/51/70/1064405170.db2.gz DKDVELLCWHJVEX-GOSISDBHSA-N 1 0 494.644 2.640 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CSc3ccccc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296213054 1064406600 /nfs/dbraw/zinc/40/66/00/1064406600.db2.gz FTSMSGWFGSNSSX-FQEVSTJZSA-N 1 0 474.675 2.832 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001291834338 1064409574 /nfs/dbraw/zinc/40/95/74/1064409574.db2.gz VXHIKAZPCYYGAC-LJQANCHMSA-N 1 0 476.069 2.975 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001291834465 1064410765 /nfs/dbraw/zinc/41/07/65/1064410765.db2.gz YVCZKMRNCRXDIQ-XMSQKQJNSA-N 1 0 488.080 2.975 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001291837220 1064420078 /nfs/dbraw/zinc/42/00/78/1064420078.db2.gz UOXLFOHIGJVBFK-OAQYLSRUSA-N 1 0 496.704 2.807 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@@H](C)CC[C@@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296215809 1064420073 /nfs/dbraw/zinc/42/00/73/1064420073.db2.gz FZMJMNPTISIWFK-OALUTQOASA-N 1 0 467.618 2.878 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001296221778 1064441915 /nfs/dbraw/zinc/44/19/15/1064441915.db2.gz ISSKPHZNJLZCBV-FQEVSTJZSA-N 1 0 475.682 2.527 20 0 JFADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[NH+]1CCOCC1)c1ccccc1 ZINC001291864395 1064476539 /nfs/dbraw/zinc/47/65/39/1064476539.db2.gz TVNWUGICPPXXGC-QHCPKHFHSA-N 1 0 468.646 2.895 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001296240751 1064491646 /nfs/dbraw/zinc/49/16/46/1064491646.db2.gz WVOJJMPOJASQEQ-AZUAARDMSA-N 1 0 456.639 2.571 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291874488 1064491740 /nfs/dbraw/zinc/49/17/40/1064491740.db2.gz OTYMZTWCKOZTEA-BWKNWUBXSA-N 1 0 486.686 2.728 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882890 1064505385 /nfs/dbraw/zinc/50/53/85/1064505385.db2.gz QDEXMZZSUYGZFK-UKRRQHHQSA-N 1 0 454.522 2.612 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291889142 1064513644 /nfs/dbraw/zinc/51/36/44/1064513644.db2.gz RNCJWXFTAHKRRG-DRLORSAXSA-N 1 0 468.646 2.724 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001291891294 1064517109 /nfs/dbraw/zinc/51/71/09/1064517109.db2.gz FCGIUYFUNYEGMJ-PZJWPPBQSA-N 1 0 476.629 2.591 20 0 JFADRO CCNC(=O)C1(Cn2c(C(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)CCC1 ZINC001296255838 1064518548 /nfs/dbraw/zinc/51/85/48/1064518548.db2.gz TZFOGJIEMOONBN-UHFFFAOYSA-N 1 0 456.639 2.505 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291892803 1064520400 /nfs/dbraw/zinc/52/04/00/1064520400.db2.gz NCVQXDJBOPTWCJ-YMPZKCBVSA-N 1 0 468.646 2.724 20 0 JFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC001296256610 1064520902 /nfs/dbraw/zinc/52/09/02/1064520902.db2.gz FEIHAIGTMKPZNU-UHFFFAOYSA-N 1 0 450.539 2.520 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893008 1064520965 /nfs/dbraw/zinc/52/09/65/1064520965.db2.gz JLIPKRZHKRVIGS-DRLORSAXSA-N 1 0 468.646 2.845 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893009 1064520993 /nfs/dbraw/zinc/52/09/93/1064520993.db2.gz JLIPKRZHKRVIGS-VRUMLPLGSA-N 1 0 468.646 2.845 20 0 JFADRO COc1ccc(CN2C[C@H](C(=O)Nc3cccc4c3CC[N@H+](CC(C)(C)O)C4)CC2=O)cc1 ZINC001296258379 1064523896 /nfs/dbraw/zinc/52/38/96/1064523896.db2.gz QOXNFNHJCCMPNG-HXUWFJFHSA-N 1 0 451.567 2.811 20 0 JFADRO CCNC(=O)C1(Cn2c(CCOc3ccccc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CCC1 ZINC001296265631 1064532618 /nfs/dbraw/zinc/53/26/18/1064532618.db2.gz UHXUKKWOESKEAM-FQEVSTJZSA-N 1 0 454.619 2.736 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291902065 1064532942 /nfs/dbraw/zinc/53/29/42/1064532942.db2.gz AZSAGWNIPAUBCD-JMJGKCIBSA-N 1 0 469.630 2.912 20 0 JFADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001296268663 1064535676 /nfs/dbraw/zinc/53/56/76/1064535676.db2.gz PGUOPFKBRRZJEE-LJQANCHMSA-N 1 0 457.987 2.770 20 0 JFADRO CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)SC ZINC001291912749 1064538787 /nfs/dbraw/zinc/53/87/87/1064538787.db2.gz SFCVTTXUAGGTNG-QGZVFWFLSA-N 1 0 472.725 2.875 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC001296271142 1064539429 /nfs/dbraw/zinc/53/94/29/1064539429.db2.gz CBFWFNLTCBJNOY-SFHVURJKSA-N 1 0 466.586 2.801 20 0 JFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001291919629 1064541268 /nfs/dbraw/zinc/54/12/68/1064541268.db2.gz MDFXDHJAGTYENV-MRXNPFEDSA-N 1 0 455.563 2.533 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001296273154 1064542042 /nfs/dbraw/zinc/54/20/42/1064542042.db2.gz LXXIQVIDJHENRD-DEOSSOPVSA-N 1 0 481.689 2.879 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)SC ZINC001291925236 1064545760 /nfs/dbraw/zinc/54/57/60/1064545760.db2.gz GDUYRCHBFFDZRN-IBGZPJMESA-N 1 0 464.680 2.700 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC001296277739 1064547554 /nfs/dbraw/zinc/54/75/54/1064547554.db2.gz JPFMQSLETJNKQK-XMSQKQJNSA-N 1 0 481.645 2.667 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001296278250 1064548958 /nfs/dbraw/zinc/54/89/58/1064548958.db2.gz XZZJISNEXJYAGU-UHFFFAOYSA-N 1 0 490.612 2.690 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)c1 ZINC001296280445 1064551081 /nfs/dbraw/zinc/55/10/81/1064551081.db2.gz QVGBMWACRSAELH-FQEVSTJZSA-N 1 0 464.618 2.645 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001296281107 1064552141 /nfs/dbraw/zinc/55/21/41/1064552141.db2.gz SPKRBIVWCFNYAV-QFIPXVFZSA-N 1 0 452.530 2.577 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291940744 1064556237 /nfs/dbraw/zinc/55/62/37/1064556237.db2.gz ISFJGDQUFPALJU-CEMLEFRQSA-N 1 0 476.666 2.714 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296287254 1064559511 /nfs/dbraw/zinc/55/95/11/1064559511.db2.gz SGOBKGFRTDJXFI-VWNXMTODSA-N 1 0 481.689 2.810 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001291950505 1064561288 /nfs/dbraw/zinc/56/12/88/1064561288.db2.gz AEPVSIAGOLNPCA-IWFBPKFRSA-N 1 0 484.711 2.650 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001291950565 1064561389 /nfs/dbraw/zinc/56/13/89/1064561389.db2.gz ARMUFXUJDWJLBR-FGZHOGPDSA-N 1 0 459.639 2.850 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001296289060 1064563260 /nfs/dbraw/zinc/56/32/60/1064563260.db2.gz NDRBDMLUTBAKPA-QFIPXVFZSA-N 1 0 481.670 2.876 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001291951858 1064564094 /nfs/dbraw/zinc/56/40/94/1064564094.db2.gz IQNIPYGXARYMTJ-FCHUYYIVSA-N 1 0 497.692 2.776 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)[NH+]1CCOCC1 ZINC001291952298 1064565339 /nfs/dbraw/zinc/56/53/39/1064565339.db2.gz KBIOARVBMJLCMX-RTWAWAEBSA-N 1 0 473.618 2.794 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001291954045 1064567086 /nfs/dbraw/zinc/56/70/86/1064567086.db2.gz PHQKOPJCWODKPX-HXUWFJFHSA-N 1 0 453.591 2.869 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001291954043 1064567154 /nfs/dbraw/zinc/56/71/54/1064567154.db2.gz PHQKOPJCWODKPX-FQEVSTJZSA-N 1 0 453.591 2.869 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001296291099 1064567444 /nfs/dbraw/zinc/56/74/44/1064567444.db2.gz OBOINXOKOGKCBU-OAQYLSRUSA-N 1 0 494.688 2.671 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC)[NH+]1CCOCC1 ZINC001291956202 1064571293 /nfs/dbraw/zinc/57/12/93/1064571293.db2.gz ZMPJXWYTGLHIRR-PKTZIBPZSA-N 1 0 484.645 2.806 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291961317 1064573499 /nfs/dbraw/zinc/57/34/99/1064573499.db2.gz GQLASJGEDGFTAR-UGKGYDQZSA-N 1 0 485.633 2.754 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001296297396 1064574333 /nfs/dbraw/zinc/57/43/33/1064574333.db2.gz IAZQOUYZTPQPJU-QHCPKHFHSA-N 1 0 497.688 2.544 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291961844 1064574773 /nfs/dbraw/zinc/57/47/73/1064574773.db2.gz NKFZWLKXZAEXAS-HSZRJFAPSA-N 1 0 484.645 2.759 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001291961765 1064574798 /nfs/dbraw/zinc/57/47/98/1064574798.db2.gz BZRYBKWDDBVVOI-HRTMPFAESA-N 1 0 458.655 2.929 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001296298048 1064575406 /nfs/dbraw/zinc/57/54/06/1064575406.db2.gz DLKGSCUOXMCCPI-OAQYLSRUSA-N 1 0 485.702 2.621 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CCN(C)C2=O)CC1)[NH+](C)C ZINC001291962928 1064576354 /nfs/dbraw/zinc/57/63/54/1064576354.db2.gz IAAXNHHVIQSQPG-FQEVSTJZSA-N 1 0 454.623 2.550 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC001291966389 1064580147 /nfs/dbraw/zinc/58/01/47/1064580147.db2.gz BZVJNLLZTQSJCQ-CMOCDZPBSA-N 1 0 496.722 2.746 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC001296302257 1064581842 /nfs/dbraw/zinc/58/18/42/1064581842.db2.gz QDAIOIJBZJCXHF-UHFFFAOYSA-N 1 0 475.682 2.851 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291967125 1064581967 /nfs/dbraw/zinc/58/19/67/1064581967.db2.gz GUSLJOHNIFEXTR-MOPGFXCFSA-N 1 0 489.583 2.813 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC001291967290 1064582439 /nfs/dbraw/zinc/58/24/39/1064582439.db2.gz HMWOIGRLKZHXEP-NHCUHLMSSA-N 1 0 460.667 2.815 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001291967969 1064583564 /nfs/dbraw/zinc/58/35/64/1064583564.db2.gz SEEDAHQPSPAJCT-FDFHNCONSA-N 1 0 496.722 2.890 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001291968488 1064584068 /nfs/dbraw/zinc/58/40/68/1064584068.db2.gz PWGHRBVVONFSQX-SFHVURJKSA-N 1 0 461.655 2.754 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCOCC1 ZINC001291968537 1064584767 /nfs/dbraw/zinc/58/47/67/1064584767.db2.gz QJYWHLFDYVGDIA-NRFANRHFSA-N 1 0 462.683 2.966 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001291969522 1064585547 /nfs/dbraw/zinc/58/55/47/1064585547.db2.gz WLUAZPCNISQRDR-ZWCUEREDSA-N 1 0 470.618 2.824 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001296307149 1064587125 /nfs/dbraw/zinc/58/71/25/1064587125.db2.gz BUOQUPLLUUNSHU-UHFFFAOYSA-N 1 0 487.649 2.933 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291973028 1064587463 /nfs/dbraw/zinc/58/74/63/1064587463.db2.gz DTYSXJLGRKTIOT-QPPBQGQZSA-N 1 0 491.706 2.521 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001291974066 1064588553 /nfs/dbraw/zinc/58/85/53/1064588553.db2.gz KZLSMSCDCQHBJC-VABKMULXSA-N 1 0 473.666 2.890 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291973996 1064588665 /nfs/dbraw/zinc/58/86/65/1064588665.db2.gz KNUUCZGCOUWLCM-HSZRJFAPSA-N 1 0 465.650 2.690 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001296307854 1064588926 /nfs/dbraw/zinc/58/89/26/1064588926.db2.gz QDVXCYUOOFORQF-FQEVSTJZSA-N 1 0 485.633 2.688 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+](C)C ZINC001291974681 1064589393 /nfs/dbraw/zinc/58/93/93/1064589393.db2.gz NNXOPXMGSQZTQY-GOTSBHOMSA-N 1 0 481.645 2.668 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975386 1064590042 /nfs/dbraw/zinc/59/00/42/1064590042.db2.gz SJAXOOBZGJAELK-XZOQPEGZSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975384 1064590071 /nfs/dbraw/zinc/59/00/71/1064590071.db2.gz SJAXOOBZGJAELK-GOTSBHOMSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291975640 1064590978 /nfs/dbraw/zinc/59/09/78/1064590978.db2.gz WVJCEQLHUQOMLB-UNMCSNQZSA-N 1 0 469.634 2.746 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296312796 1064593107 /nfs/dbraw/zinc/59/31/07/1064593107.db2.gz ZVFNDURTXHKPLA-FQEVSTJZSA-N 1 0 454.623 2.704 20 0 JFADRO CCC(CC)[C@H](Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291977399 1064593183 /nfs/dbraw/zinc/59/31/83/1064593183.db2.gz IYRPFLDXPCLCRF-ICSRJNTNSA-N 1 0 473.597 2.576 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001296315331 1064594062 /nfs/dbraw/zinc/59/40/62/1064594062.db2.gz OZSHUQXKYIPAAZ-FGZHOGPDSA-N 1 0 469.634 2.717 20 0 JFADRO CCC(CC)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291979627 1064594828 /nfs/dbraw/zinc/59/48/28/1064594828.db2.gz SXETUPIQJRIGPF-OAQYLSRUSA-N 1 0 491.036 2.584 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291985584 1064597557 /nfs/dbraw/zinc/59/75/57/1064597557.db2.gz ALKUMYHHBXEDEQ-XTWGIRIWSA-N 1 0 475.682 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001291986094 1064597913 /nfs/dbraw/zinc/59/79/13/1064597913.db2.gz JRNFYLZEQYVVLC-UHFFFAOYSA-N 1 0 475.682 2.954 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001296317468 1064600625 /nfs/dbraw/zinc/60/06/25/1064600625.db2.gz PPYZDGFRNDFZBV-UHFFFAOYSA-N 1 0 482.658 2.617 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001296324191 1064607381 /nfs/dbraw/zinc/60/73/81/1064607381.db2.gz FDEUSELZOVRZHW-GOSISDBHSA-N 1 0 461.586 2.578 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CSc3ccccc3OC)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001296324253 1064608770 /nfs/dbraw/zinc/60/87/70/1064608770.db2.gz HQYFGPBZDVTVPW-SFHVURJKSA-N 1 0 487.674 2.913 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291996207 1064613077 /nfs/dbraw/zinc/61/30/77/1064613077.db2.gz YCUNLMPBUPGETN-HXUWFJFHSA-N 1 0 499.479 2.724 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001296325470 1064616332 /nfs/dbraw/zinc/61/63/32/1064616332.db2.gz XDLNXEAMMBZVNU-FQEVSTJZSA-N 1 0 457.623 2.747 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccn2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001291999517 1064618476 /nfs/dbraw/zinc/61/84/76/1064618476.db2.gz OGZIUYXRQFLDRT-UHFFFAOYSA-N 1 0 469.634 2.873 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC001296325913 1064618998 /nfs/dbraw/zinc/61/89/98/1064618998.db2.gz NDXLECSTWLTMHN-MSOLQXFVSA-N 1 0 466.652 2.770 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC001296325916 1064619038 /nfs/dbraw/zinc/61/90/38/1064619038.db2.gz NDXLECSTWLTMHN-ZWKOTPCHSA-N 1 0 466.652 2.770 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC001296325915 1064619063 /nfs/dbraw/zinc/61/90/63/1064619063.db2.gz NDXLECSTWLTMHN-ROUUACIJSA-N 1 0 466.652 2.770 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC001296325914 1064619078 /nfs/dbraw/zinc/61/90/78/1064619078.db2.gz NDXLECSTWLTMHN-QZTJIDSGSA-N 1 0 466.652 2.770 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001296327833 1064622168 /nfs/dbraw/zinc/62/21/68/1064622168.db2.gz ZHHUWLKDOKKVDE-RTWAWAEBSA-N 1 0 460.648 2.584 20 0 JFADRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC001292003861 1064623612 /nfs/dbraw/zinc/62/36/12/1064623612.db2.gz DTIIDFDUMNCAMA-OAQYLSRUSA-N 1 0 450.649 2.930 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(CC)CC1 ZINC001292016181 1064648516 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/nfs/dbraw/zinc/73/42/47/1064734247.db2.gz GRJQHQYCCXHIBE-HSZRJFAPSA-N 1 0 487.693 2.884 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001292063033 1064735466 /nfs/dbraw/zinc/73/54/66/1064735466.db2.gz LNPHTKQWSGNKPL-OAQYLSRUSA-N 1 0 485.633 2.732 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1Cc1cccc(F)c1 ZINC001292063015 1064735499 /nfs/dbraw/zinc/73/54/99/1064735499.db2.gz KVGZKWLPWOVZPK-QFIPXVFZSA-N 1 0 471.625 2.600 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCCc1nc(C)no1 ZINC001292063243 1064735894 /nfs/dbraw/zinc/73/58/94/1064735894.db2.gz PLQDHWJMZDSGLB-UHFFFAOYSA-N 1 0 472.638 2.975 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC1(C)CCCC1 ZINC001292063286 1064736298 /nfs/dbraw/zinc/73/62/98/1064736298.db2.gz QKTIDTHFOKFLHA-OAQYLSRUSA-N 1 0 459.683 2.993 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC1(C)CCC1 ZINC001292063514 1064737389 /nfs/dbraw/zinc/73/73/89/1064737389.db2.gz VTWGRYXTZDGHIV-NRFANRHFSA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCCN1CCCCC1=O ZINC001292063484 1064737476 /nfs/dbraw/zinc/73/74/76/1064737476.db2.gz VAZKACPPHQUDNN-NRFANRHFSA-N 1 0 473.666 2.664 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001292070556 1064749740 /nfs/dbraw/zinc/74/97/40/1064749740.db2.gz OCCVOSLDBYJBLF-VQTJNVASSA-N 1 0 487.693 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292074097 1064753376 /nfs/dbraw/zinc/75/33/76/1064753376.db2.gz LLMPCDLULVSIOH-HXUWFJFHSA-N 1 0 469.634 2.980 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292074094 1064753445 /nfs/dbraw/zinc/75/34/45/1064753445.db2.gz LLMPCDLULVSIOH-FQEVSTJZSA-N 1 0 469.634 2.980 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CC[NH+]1CCCC1 ZINC001292077126 1064758661 /nfs/dbraw/zinc/75/86/61/1064758661.db2.gz WGDVUHHWKIZNLC-UHFFFAOYSA-N 1 0 484.645 2.915 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292077475 1064759542 /nfs/dbraw/zinc/75/95/42/1064759542.db2.gz YLLOODPHRQUYED-FGZHOGPDSA-N 1 0 466.721 2.967 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292086423 1064769100 /nfs/dbraw/zinc/76/91/00/1064769100.db2.gz SEYWXQZLZNJWJI-GHTZIAJQSA-N 1 0 487.693 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001292086816 1064770186 /nfs/dbraw/zinc/77/01/86/1064770186.db2.gz WUGWMLUJECUXNW-IBGZPJMESA-N 1 0 487.693 2.956 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCC1CC[NH+](CC)CC1 ZINC001292088126 1064771612 /nfs/dbraw/zinc/77/16/12/1064771612.db2.gz CECFZUNARWYKDI-QFIPXVFZSA-N 1 0 487.693 2.910 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001292089657 1064774393 /nfs/dbraw/zinc/77/43/93/1064774393.db2.gz LWXJFPXKPWCDIG-HXUWFJFHSA-N 1 0 494.706 2.619 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292090533 1064776047 /nfs/dbraw/zinc/77/60/47/1064776047.db2.gz PXGDOFGGYRYBSS-RTWAWAEBSA-N 1 0 487.693 2.908 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001292092639 1064780976 /nfs/dbraw/zinc/78/09/76/1064780976.db2.gz YQOAOJOUAPAEQV-SFTDATJTSA-N 1 0 461.655 2.566 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292093046 1064781640 /nfs/dbraw/zinc/78/16/40/1064781640.db2.gz DDXQGLMSYHMSDN-NHCUHLMSSA-N 1 0 485.681 2.663 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@]1(O)CCO[C@H]1C ZINC001292093598 1064782944 /nfs/dbraw/zinc/78/29/44/1064782944.db2.gz GIHJNGJISDEPCH-UZINWLIJSA-N 1 0 490.693 2.685 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292101255 1064792041 /nfs/dbraw/zinc/79/20/41/1064792041.db2.gz MAKXQCJLJYZNKS-ONTIZHBOSA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292102466 1064793379 /nfs/dbraw/zinc/79/33/79/1064793379.db2.gz RQAKQQNYBZWSGG-SELNLUPBSA-N 1 0 464.680 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CC[C@@H](F)C1 ZINC001292104422 1064796902 /nfs/dbraw/zinc/79/69/02/1064796902.db2.gz FICNDGAMJYCEBS-UYAOXDASSA-N 1 0 474.629 2.781 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCn1ccnc1C ZINC001292104879 1064797723 /nfs/dbraw/zinc/79/77/23/1064797723.db2.gz KGILMIBXMRIHSK-UHFFFAOYSA-N 1 0 456.639 2.856 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1Cc1cccn(CC)c1=O ZINC001292105590 1064799492 /nfs/dbraw/zinc/79/94/92/1064799492.db2.gz MJEMKLQUMWGVBN-UHFFFAOYSA-N 1 0 471.650 2.737 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccc(C)cc1C ZINC001292109872 1064810185 /nfs/dbraw/zinc/81/01/85/1064810185.db2.gz DQDWZWVMZQLUTB-UHFFFAOYSA-N 1 0 495.672 2.606 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292110962 1064817609 /nfs/dbraw/zinc/81/76/09/1064817609.db2.gz OKTZUZNJQPQMDP-LJQANCHMSA-N 1 0 499.635 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292114737 1064830051 /nfs/dbraw/zinc/83/00/51/1064830051.db2.gz HTUWXWGPGHRHOS-QRVBRYPASA-N 1 0 475.682 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292115166 1064831978 /nfs/dbraw/zinc/83/19/78/1064831978.db2.gz LEWVOYGWGBNGFJ-DEOSSOPVSA-N 1 0 495.672 2.702 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292117228 1064843264 /nfs/dbraw/zinc/84/32/64/1064843264.db2.gz ZGMBEBWJUSSLQI-HXUWFJFHSA-N 1 0 483.661 2.874 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292122803 1064859329 /nfs/dbraw/zinc/85/93/29/1064859329.db2.gz XPUSDKLHXMEJQV-RTBURBONSA-N 1 0 487.693 2.764 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1c(C)noc1C ZINC001292124037 1064863999 /nfs/dbraw/zinc/86/39/99/1064863999.db2.gz DHVLCXCEHSEQJZ-MRXNPFEDSA-N 1 0 473.622 2.539 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@@H]1CCOC1 ZINC001292124700 1064866531 /nfs/dbraw/zinc/86/65/31/1064866531.db2.gz OSSVOWBPDVTXMN-CTNGQTDRSA-N 1 0 454.619 2.944 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1C[C@@H]1C ZINC001292125920 1064872285 /nfs/dbraw/zinc/87/22/85/1064872285.db2.gz MZEZRCAPVNUCBD-PMACEKPBSA-N 1 0 459.683 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1(C(N)=O)CCCC1 ZINC001292126229 1064875073 /nfs/dbraw/zinc/87/50/73/1064875073.db2.gz ZKSYUZZVNPYFQN-HXUWFJFHSA-N 1 0 495.672 2.953 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001292126250 1064875168 /nfs/dbraw/zinc/87/51/68/1064875168.db2.gz ZWHGJBKGWNJFEP-OAHLLOKOSA-N 1 0 465.549 2.772 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H]1CSCCS1 ZINC001292132142 1064884421 /nfs/dbraw/zinc/88/44/21/1064884421.db2.gz DVXVBKMDMFMJFT-MSOLQXFVSA-N 1 0 452.694 2.720 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001292132358 1064885130 /nfs/dbraw/zinc/88/51/30/1064885130.db2.gz FROFMLRGCTUBBJ-RXVVDRJESA-N 1 0 496.660 2.540 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001292133383 1064887580 /nfs/dbraw/zinc/88/75/80/1064887580.db2.gz JDOFQZMPEQUYCS-RUZDIDTESA-N 1 0 489.665 2.882 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001292133575 1064888955 /nfs/dbraw/zinc/88/89/55/1064888955.db2.gz IGQGGWUYRAPAAD-SFTDATJTSA-N 1 0 469.634 2.523 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[C@@H](OC)C(F)(F)F ZINC001292134534 1064894600 /nfs/dbraw/zinc/89/46/00/1064894600.db2.gz SZTJFHFWRZJJHX-DLBZAZTESA-N 1 0 460.545 2.838 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001292135493 1064900711 /nfs/dbraw/zinc/90/07/11/1064900711.db2.gz LYUVBMOLPISNHH-OFVILXPXSA-N 1 0 486.665 2.556 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001292151888 1064931145 /nfs/dbraw/zinc/93/11/45/1064931145.db2.gz VPTQMWBRLUMYKY-FUHWJXTLSA-N 1 0 477.654 2.783 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001292151936 1064931569 /nfs/dbraw/zinc/93/15/69/1064931569.db2.gz WZWFGDGMCCSRGA-UHFFFAOYSA-N 1 0 456.660 2.849 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292153146 1064931973 /nfs/dbraw/zinc/93/19/73/1064931973.db2.gz CLPBDUHEVBURQI-SJLPKXTDSA-N 1 0 487.615 2.857 20 0 JFADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001292158733 1064939575 /nfs/dbraw/zinc/93/95/75/1064939575.db2.gz FJKFHEPFWBDPJZ-PMACEKPBSA-N 1 0 489.665 2.882 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1C)[N@@H+]1CCc2ccccc2C1 ZINC001292160121 1064942050 /nfs/dbraw/zinc/94/20/50/1064942050.db2.gz NFYRQZDKRIRJFP-QHCPKHFHSA-N 1 0 478.645 2.932 20 0 JFADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1)[NH+]1CCCC1 ZINC001292160789 1064943852 /nfs/dbraw/zinc/94/38/52/1064943852.db2.gz UPSZLDUFCQRJRN-NRFANRHFSA-N 1 0 467.618 2.772 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292160764 1064943864 /nfs/dbraw/zinc/94/38/64/1064943864.db2.gz UDKRLWVHFZHVAC-ZCNNSNEGSA-N 1 0 489.665 2.738 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292160762 1064943877 /nfs/dbraw/zinc/94/38/77/1064943877.db2.gz UDKRLWVHFZHVAC-XUVXKRRUSA-N 1 0 489.665 2.738 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)[NH+]1CCCC1 ZINC001292162189 1064947044 /nfs/dbraw/zinc/94/70/44/1064947044.db2.gz IGOLRJKQBGSLDH-RTWAWAEBSA-N 1 0 456.639 2.946 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292162277 1064947519 /nfs/dbraw/zinc/94/75/19/1064947519.db2.gz KEKIZQIABIBGQA-MOPGFXCFSA-N 1 0 477.654 2.736 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)[NH+]1CCCC1 ZINC001292163771 1064949918 /nfs/dbraw/zinc/94/99/18/1064949918.db2.gz NZKHDBAERLREPQ-KRWDZBQOSA-N 1 0 491.040 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001292164290 1064950786 /nfs/dbraw/zinc/95/07/86/1064950786.db2.gz NPHJYZXODVZCKK-UHFFFAOYSA-N 1 0 476.666 2.847 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1)[NH+]1CCCC1 ZINC001292164695 1064951140 /nfs/dbraw/zinc/95/11/40/1064951140.db2.gz RMWGHVRABTULMQ-LJQANCHMSA-N 1 0 475.588 2.896 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1)[NH+]1CCCC1 ZINC001292165478 1064952259 /nfs/dbraw/zinc/95/22/59/1064952259.db2.gz VNLFLLRWXIUUOX-MHECFPHRSA-N 1 0 458.582 2.528 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001292165669 1064953060 /nfs/dbraw/zinc/95/30/60/1064953060.db2.gz PAKJOFAZAXTEAF-NLFFAJNJSA-N 1 0 476.666 2.847 20 0 JFADRO CNS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)Cc2ccc(Cl)c(Cl)c2)cn1 ZINC001292166625 1064954379 /nfs/dbraw/zinc/95/43/79/1064954379.db2.gz QOBJTNZMVPXMAG-UHFFFAOYSA-N 1 0 459.399 2.891 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001292168616 1064955537 /nfs/dbraw/zinc/95/55/37/1064955537.db2.gz ZRVIRVOOAJGKEK-MFSJNOQSSA-N 1 0 464.655 2.557 20 0 JFADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170372 1064955999 /nfs/dbraw/zinc/95/59/99/1064955999.db2.gz CELKNNAWRJZEIJ-ICSRJNTNSA-N 1 0 496.653 2.806 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(F)c2)C1)[NH+]1CCCC1 ZINC001292170813 1064956367 /nfs/dbraw/zinc/95/63/67/1064956367.db2.gz DSKAETSCRWGAGZ-HFSMHLIXSA-N 1 0 478.638 2.896 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001292172153 1064958252 /nfs/dbraw/zinc/95/82/52/1064958252.db2.gz JFHVYFAHLLYYCK-AQNXPRMDSA-N 1 0 491.681 2.838 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001292172154 1064958294 /nfs/dbraw/zinc/95/82/94/1064958294.db2.gz JFHVYFAHLLYYCK-VAMGGRTRSA-N 1 0 491.681 2.838 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292173589 1064962234 /nfs/dbraw/zinc/96/22/34/1064962234.db2.gz NNDWZFRLVYKJOE-LVCYWYKZSA-N 1 0 460.648 2.571 20 0 JFADRO CC[C@@H](Cn1c(C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001292174825 1064964424 /nfs/dbraw/zinc/96/44/24/1064964424.db2.gz YYXIHPNUXFJAQZ-NRFANRHFSA-N 1 0 491.681 2.708 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001292180989 1064970893 /nfs/dbraw/zinc/97/08/93/1064970893.db2.gz RHEDDPDLRKPNGJ-GOEBONIOSA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)OC ZINC001292181240 1064971401 /nfs/dbraw/zinc/97/14/01/1064971401.db2.gz SEXNDNTXMBFDTN-DOTOQJQBSA-N 1 0 467.412 2.619 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001292186100 1064977441 /nfs/dbraw/zinc/97/74/41/1064977441.db2.gz PKESYIDRXWMRHL-PMACEKPBSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292186402 1064977811 /nfs/dbraw/zinc/97/78/11/1064977811.db2.gz UUBMOLKOKIOXDU-AWEZNQCLSA-N 1 0 488.477 2.878 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292192828 1064985367 /nfs/dbraw/zinc/98/53/67/1064985367.db2.gz NOJHOSQZXUBNHD-UXHICEINSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C)[NH+]1CCCC1 ZINC001292212193 1065002824 /nfs/dbraw/zinc/00/28/24/1065002824.db2.gz RELNWITWIFIYOX-BHIFYINESA-N 1 0 483.661 2.890 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC001292222437 1065008761 /nfs/dbraw/zinc/00/87/61/1065008761.db2.gz BODXDXIBZYFPGX-VQTJNVASSA-N 1 0 491.658 2.708 20 0 JFADRO CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC001292222435 1065008919 /nfs/dbraw/zinc/00/89/19/1065008919.db2.gz BODXDXIBZYFPGX-PMACEKPBSA-N 1 0 491.658 2.708 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)OC ZINC001292225257 1065012603 /nfs/dbraw/zinc/01/26/03/1065012603.db2.gz QICHHXABLIKTSK-WTGUMLROSA-N 1 0 480.654 2.930 20 0 JFADRO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292226995 1065014684 /nfs/dbraw/zinc/01/46/84/1065014684.db2.gz VCCGNSWGDXNQAU-VXKWHMMOSA-N 1 0 454.619 2.581 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001292237053 1065021538 /nfs/dbraw/zinc/02/15/38/1065021538.db2.gz SAGQVLSNWYBZEF-MJGOQNOKSA-N 1 0 479.551 2.643 20 0 JFADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292244097 1065027937 /nfs/dbraw/zinc/02/79/37/1065027937.db2.gz XHIFGPMUYYJHIF-RTWAWAEBSA-N 1 0 466.696 2.651 20 0 JFADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292252193 1065034554 /nfs/dbraw/zinc/03/45/54/1065034554.db2.gz OBGVFLOQQLYKOV-UPVQGACJSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292252220 1065034611 /nfs/dbraw/zinc/03/46/11/1065034611.db2.gz OPOXEVRVMJCJOQ-FPOVZHCZSA-N 1 0 461.632 2.663 20 0 JFADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292255412 1065037903 /nfs/dbraw/zinc/03/79/03/1065037903.db2.gz NHIBJNBJBXQUMI-YSTOQKLRSA-N 1 0 489.665 2.625 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001292271652 1065049264 /nfs/dbraw/zinc/04/92/64/1065049264.db2.gz GEXDNRIIHPQTRR-PKOBYXMFSA-N 1 0 461.632 2.573 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001292274168 1065051560 /nfs/dbraw/zinc/05/15/60/1065051560.db2.gz ZIAQMKWHOGTOOE-FQEVSTJZSA-N 1 0 475.659 2.964 20 0 JFADRO CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001292283775 1065057202 /nfs/dbraw/zinc/05/72/02/1065057202.db2.gz JXOYKPWCOSOAKY-NRFANRHFSA-N 1 0 462.683 2.718 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001292286459 1065060278 /nfs/dbraw/zinc/06/02/78/1065060278.db2.gz ZIZSMBWIKDRQAW-HSZRJFAPSA-N 1 0 464.614 2.671 20 0 JFADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001292292514 1065064478 /nfs/dbraw/zinc/06/44/78/1065064478.db2.gz FEHICBINYPKOTN-QCSYZSNVSA-N 1 0 453.461 2.551 20 0 JFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC001292305289 1065075642 /nfs/dbraw/zinc/07/56/42/1065075642.db2.gz UOWWSVABZGGQKQ-QGZVFWFLSA-N 1 0 450.580 2.615 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001292325713 1065086035 /nfs/dbraw/zinc/08/60/35/1065086035.db2.gz JKFXTPOKICGUFT-QZTJIDSGSA-N 1 0 458.525 2.765 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001292334016 1065090058 /nfs/dbraw/zinc/09/00/58/1065090058.db2.gz ZAOCSBIVUTXRAH-AWRGLXIESA-N 1 0 490.674 2.540 20 0 JFADRO CC[C@@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001292344876 1065092812 /nfs/dbraw/zinc/09/28/12/1065092812.db2.gz BYAXKVCYCOYPFP-CVDCTZTESA-N 1 0 484.711 2.652 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001292347905 1065095359 /nfs/dbraw/zinc/09/53/59/1065095359.db2.gz XSQBHHYIYHKPNM-QPXQOZNCSA-N 1 0 484.711 2.650 20 0 JFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC001292351221 1065095642 /nfs/dbraw/zinc/09/56/42/1065095642.db2.gz LRUOBIDFMNXCHW-UHFFFAOYSA-N 1 0 455.360 2.712 20 0 JFADRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001292352061 1065096573 /nfs/dbraw/zinc/09/65/73/1065096573.db2.gz VTJJRRBPSVZVRV-QFIPXVFZSA-N 1 0 453.587 2.791 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001292379285 1065123267 /nfs/dbraw/zinc/12/32/67/1065123267.db2.gz KAZGSEVJPMGNTI-DVECYGJZSA-N 1 0 461.582 2.848 20 0 JFADRO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOCC1 ZINC001292408944 1065143091 /nfs/dbraw/zinc/14/30/91/1065143091.db2.gz ZETMLQLYFSOKCJ-UHFFFAOYSA-N 1 0 489.709 2.618 20 0 JFADRO C[C@H](NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454324 1065176188 /nfs/dbraw/zinc/17/61/88/1065176188.db2.gz MPLFQMIXMDVIEI-RXFWQSSRSA-N 1 0 450.583 2.757 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001292455923 1065176616 /nfs/dbraw/zinc/17/66/16/1065176616.db2.gz ATUQKLOKPMDDKK-HSZRJFAPSA-N 1 0 478.645 2.849 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)NC)CC2)[NH+](C)C)cc1 ZINC001292456953 1065178347 /nfs/dbraw/zinc/17/83/47/1065178347.db2.gz HXYRAZHBULORSC-QFIPXVFZSA-N 1 0 462.602 2.667 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)[NH+](C)C)cc1 ZINC001292458308 1065180858 /nfs/dbraw/zinc/18/08/58/1065180858.db2.gz OOCYJXSOPGCPMK-QFIPXVFZSA-N 1 0 477.613 2.945 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC001292458452 1065182301 /nfs/dbraw/zinc/18/23/01/1065182301.db2.gz OYSVKEHNWMLQAQ-YADHBBJMSA-N 1 0 464.618 2.855 20 0 JFADRO CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)[NH+](C)C)cc1 ZINC001292458647 1065182347 /nfs/dbraw/zinc/18/23/47/1065182347.db2.gz AGQAGZAXRICUQE-ATIYNZHBSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC001292458905 1065183617 /nfs/dbraw/zinc/18/36/17/1065183617.db2.gz RIVFEMHTLCPJLM-JOCHJYFZSA-N 1 0 474.675 2.883 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292459707 1065185352 /nfs/dbraw/zinc/18/53/52/1065185352.db2.gz FPVBFVTYOMUDDI-JOCHJYFZSA-N 1 0 494.644 2.763 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459717 1065185469 /nfs/dbraw/zinc/18/54/69/1065185469.db2.gz FUFFBCYDXXQRIM-SGNDLWITSA-N 1 0 484.645 2.726 20 0 JFADRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001292459803 1065186034 /nfs/dbraw/zinc/18/60/34/1065186034.db2.gz DZSFBASJYRYJHD-JTSKRJEESA-N 1 0 465.689 2.814 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292460539 1065189164 /nfs/dbraw/zinc/18/91/64/1065189164.db2.gz IHBQDVFWEBPPBP-YPAWHYETSA-N 1 0 454.619 2.957 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292462122 1065191609 /nfs/dbraw/zinc/19/16/09/1065191609.db2.gz QZNNYCMQYYPMQP-NBCVKUGOSA-N 1 0 498.672 2.830 20 0 JFADRO CCc1ccc(-c2nnc(N(C)CCS(=O)(=O)CC)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292474249 1065199175 /nfs/dbraw/zinc/19/91/75/1065199175.db2.gz NTOREGQYSPYIPS-UHFFFAOYSA-N 1 0 477.675 2.614 20 0 JFADRO CCc1ccc(-c2nnc(N(CC)[C@@H]3CCS(=O)(=O)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001292475792 1065200259 /nfs/dbraw/zinc/20/02/59/1065200259.db2.gz DOEOXKHSDLOMBJ-JOCHJYFZSA-N 1 0 488.702 2.547 20 0 JFADRO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001292478651 1065202767 /nfs/dbraw/zinc/20/27/67/1065202767.db2.gz IHGLQABMMOPCJI-VQTJNVASSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@H]([N@@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CC(C)(C)O)cc1 ZINC001292479739 1065203598 /nfs/dbraw/zinc/20/35/98/1065203598.db2.gz TUJZQIJOTOBXCQ-CVDCTZTESA-N 1 0 468.646 2.657 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484736 1065206417 /nfs/dbraw/zinc/20/64/17/1065206417.db2.gz GLCOERADXDGBHO-NNMXDRDESA-N 1 0 474.675 2.850 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001292488935 1065210605 /nfs/dbraw/zinc/21/06/05/1065210605.db2.gz UXDNFIUJXFNMTB-KBMIEXCESA-N 1 0 454.619 2.710 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CCC(=O)NC)cc1 ZINC001292497397 1065216771 /nfs/dbraw/zinc/21/67/71/1065216771.db2.gz FZIPLDHDVVVMMC-UHFFFAOYSA-N 1 0 467.662 2.638 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCC[NH+]2CCN(CC)CC2)cc1 ZINC001292498280 1065218208 /nfs/dbraw/zinc/21/82/08/1065218208.db2.gz QRDKVQOEELCCPW-QHCPKHFHSA-N 1 0 488.702 2.549 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001292506014 1065223378 /nfs/dbraw/zinc/22/33/78/1065223378.db2.gz CPIOSKVAMMKDIO-IFMALSPDSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2C[C@H](F)COC)cc1 ZINC001292512219 1065229777 /nfs/dbraw/zinc/22/97/77/1065229777.db2.gz DLLYPQNVDQZWSW-QFIPXVFZSA-N 1 0 455.582 2.938 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)n2CCNC(=O)C(C)C)cc1 ZINC001292512336 1065230153 /nfs/dbraw/zinc/23/01/53/1065230153.db2.gz IIBQZECIRYHRAH-UHFFFAOYSA-N 1 0 478.645 2.726 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CC[N@@H+](C)[C@@H](C)CC)cc1 ZINC001292512997 1065231605 /nfs/dbraw/zinc/23/16/05/1065231605.db2.gz ZPHDUDZYYBEPDW-NRFANRHFSA-N 1 0 495.672 2.509 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292512932 1065231678 /nfs/dbraw/zinc/23/16/78/1065231678.db2.gz XPSQVDGQFNITGH-JTHBVZDNSA-N 1 0 457.619 2.718 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCC(=O)N[C@H](C)CC)cc1 ZINC001292513204 1065232047 /nfs/dbraw/zinc/23/20/47/1065232047.db2.gz AGZRBOAYPRXGAY-OFNKIYASSA-N 1 0 495.672 2.555 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520802 1065246472 /nfs/dbraw/zinc/24/64/72/1065246472.db2.gz UPWCYVIBHREUNG-SHQCIBLASA-N 1 0 484.689 2.900 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001292524402 1065249505 /nfs/dbraw/zinc/24/95/05/1065249505.db2.gz FKAOTCGPLCLQJP-JQVVWYNYSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2CC[N@H+](C)CCCOC)cc1 ZINC001292525262 1065251245 /nfs/dbraw/zinc/25/12/45/1065251245.db2.gz QXZVPMPGSGHCQC-XMMPIXPASA-N 1 0 456.591 2.507 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001292526482 1065252864 /nfs/dbraw/zinc/25/28/64/1065252864.db2.gz LLHWNJZERHUCMJ-XMMPIXPASA-N 1 0 468.646 2.971 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC2([NH+](C)C)CCCCC2)cc1 ZINC001292526622 1065252903 /nfs/dbraw/zinc/25/29/03/1065252903.db2.gz YLCSWDXNYGFMKG-OAQYLSRUSA-N 1 0 454.619 2.723 20 0 JFADRO C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)C2=O ZINC001292541764 1065263877 /nfs/dbraw/zinc/26/38/77/1065263877.db2.gz WZJBKTRNDDXYND-NHCUHLMSSA-N 1 0 454.615 2.900 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)NC)CC2)n1CCC[NH+]1CCCC1 ZINC001292594819 1065315540 /nfs/dbraw/zinc/31/55/40/1065315540.db2.gz UZNWBCVNIZLWIG-UHFFFAOYSA-N 1 0 454.619 2.868 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCCCCC1 ZINC001292595893 1065316503 /nfs/dbraw/zinc/31/65/03/1065316503.db2.gz CXIYPDDRFRQECM-VWLOTQADSA-N 1 0 454.619 2.997 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292597847 1065318009 /nfs/dbraw/zinc/31/80/09/1065318009.db2.gz ZAQCVGBGSIFCMF-DFBJGRDBSA-N 1 0 454.619 2.866 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292597797 1065318042 /nfs/dbraw/zinc/31/80/42/1065318042.db2.gz YDSDLIJVTQIQLC-KBMIEXCESA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292598602 1065319626 /nfs/dbraw/zinc/31/96/26/1065319626.db2.gz LGVQOVKMXDSTOV-VWLOTQADSA-N 1 0 486.686 2.949 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC([NH+](CC)CC)CC2)n1Cc1cnnn1C ZINC001292601010 1065323366 /nfs/dbraw/zinc/32/33/66/1065323366.db2.gz ODSKFMMSCFJTNF-UHFFFAOYSA-N 1 0 452.607 2.907 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292603792 1065327274 /nfs/dbraw/zinc/32/72/74/1065327274.db2.gz NWJCEINXJGGJTE-OAQYLSRUSA-N 1 0 497.688 2.537 20 0 JFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCNC(=O)c1cccc(Br)c1 ZINC001292605596 1065331065 /nfs/dbraw/zinc/33/10/65/1065331065.db2.gz IGVSBYNTMZQGRT-UHFFFAOYSA-N 1 0 459.388 2.507 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292608506 1065334522 /nfs/dbraw/zinc/33/45/22/1065334522.db2.gz CZMHCJSPCQOYSQ-QFIPXVFZSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292609423 1065335374 /nfs/dbraw/zinc/33/53/74/1065335374.db2.gz CEUQVDKTFAOSRO-HXUWFJFHSA-N 1 0 481.601 2.777 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001292609577 1065335965 /nfs/dbraw/zinc/33/59/65/1065335965.db2.gz DTQCXHWDNRPBTJ-HXUWFJFHSA-N 1 0 454.619 2.818 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001292609856 1065336926 /nfs/dbraw/zinc/33/69/26/1065336926.db2.gz OXCKSRUAQGFRFI-UNMCSNQZSA-N 1 0 484.645 2.622 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001292610450 1065338033 /nfs/dbraw/zinc/33/80/33/1065338033.db2.gz PWQWMPDFKOABHA-UHFFFAOYSA-N 1 0 469.634 2.755 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001292611001 1065340400 /nfs/dbraw/zinc/34/04/00/1065340400.db2.gz ZPQOFBHHIAAXIH-QHCPKHFHSA-N 1 0 498.672 2.835 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)COC ZINC001292610984 1065340431 /nfs/dbraw/zinc/34/04/31/1065340431.db2.gz ZEJNGWDBGOBJMB-QFIPXVFZSA-N 1 0 498.672 2.835 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292615622 1065349116 /nfs/dbraw/zinc/34/91/16/1065349116.db2.gz UWXZKYQTOQKVCD-IBGZPJMESA-N 1 0 452.559 2.642 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3CCOC[C@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001292616047 1065350127 /nfs/dbraw/zinc/35/01/27/1065350127.db2.gz XTAGRIXMDYXSGV-JOCHJYFZSA-N 1 0 456.635 2.671 20 0 JFADRO CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC001292621921 1065358250 /nfs/dbraw/zinc/35/82/50/1065358250.db2.gz KFHTVRACBQFRSF-UHFFFAOYSA-N 1 0 452.393 2.985 20 0 JFADRO CCc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292623867 1065359702 /nfs/dbraw/zinc/35/97/02/1065359702.db2.gz GKGLZLRSTDKBIC-IBGZPJMESA-N 1 0 452.607 2.923 20 0 JFADRO CCc1cnc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC001292638588 1065374557 /nfs/dbraw/zinc/37/45/57/1065374557.db2.gz IFIIKPSHEWTWQI-HXUWFJFHSA-N 1 0 482.658 2.938 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC001292660243 1065395862 /nfs/dbraw/zinc/39/58/62/1065395862.db2.gz FETUBQXOPOWGTB-ROUUACIJSA-N 1 0 454.537 2.971 20 0 JFADRO CCc1cnc(Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)s1 ZINC001292660552 1065396553 /nfs/dbraw/zinc/39/65/53/1065396553.db2.gz PUDQGLAAZOZRLR-UHFFFAOYSA-N 1 0 487.699 2.988 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](C)C)s1 ZINC001292675601 1065415612 /nfs/dbraw/zinc/41/56/12/1065415612.db2.gz YACCCYLASMLAFR-BPUTZDHNSA-N 1 0 454.666 2.655 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)s1 ZINC001292678510 1065417754 /nfs/dbraw/zinc/41/77/54/1065417754.db2.gz NPMUKFNBXPJDAT-SBUREZEXSA-N 1 0 455.632 2.855 20 0 JFADRO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)no1 ZINC001292696567 1065446508 /nfs/dbraw/zinc/44/65/08/1065446508.db2.gz SJDSZNUDMOPBTL-MOPGFXCFSA-N 1 0 472.638 2.695 20 0 JFADRO C[NH+](C)CCn1c2cc(C(=O)NCc3ccc(NC(=O)c4cccnc4)cc3)ccc2[nH]c1=O ZINC001292697406 1065447888 /nfs/dbraw/zinc/44/78/88/1065447888.db2.gz XLCHDVHUQSXPEA-UHFFFAOYSA-N 1 0 458.522 2.881 20 0 JFADRO C[N@H+](CCOc1cccc(CNC(=O)c2cn(Cc3cccs3)nn2)c1)C1CCOCC1 ZINC001292707046 1065462738 /nfs/dbraw/zinc/46/27/38/1065462738.db2.gz WMXJXRACSLHPFX-UHFFFAOYSA-N 1 0 455.584 2.808 20 0 JFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC001292742667 1065502746 /nfs/dbraw/zinc/50/27/46/1065502746.db2.gz XWNXLVDUTYVIHS-UHFFFAOYSA-N 1 0 452.580 2.866 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001292768659 1065523427 /nfs/dbraw/zinc/52/34/27/1065523427.db2.gz DMTAPZSCNPYBJK-OALUTQOASA-N 1 0 493.100 2.784 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c([C@@H](C)CC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001292775322 1065533671 /nfs/dbraw/zinc/53/36/71/1065533671.db2.gz WXQCLDIZWNIIGO-ROUUACIJSA-N 1 0 459.639 2.834 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001292780358 1065539583 /nfs/dbraw/zinc/53/95/83/1065539583.db2.gz BXRQUOGTLVXTNA-ROUUACIJSA-N 1 0 452.607 2.536 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001292780355 1065539688 /nfs/dbraw/zinc/53/96/88/1065539688.db2.gz BXRQUOGTLVXTNA-QZTJIDSGSA-N 1 0 452.607 2.536 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292802941 1065560402 /nfs/dbraw/zinc/56/04/02/1065560402.db2.gz RRJZGYKXIJZIBR-RBUKOAKNSA-N 1 0 456.591 2.963 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292803039 1065560926 /nfs/dbraw/zinc/56/09/26/1065560926.db2.gz SJEWMSOUZSSYOX-OKZBNKHCSA-N 1 0 478.663 2.573 20 0 JFADRO CCc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292813116 1065563714 /nfs/dbraw/zinc/56/37/14/1065563714.db2.gz DIEOBUSXSIEFBK-HSALFYBXSA-N 1 0 456.639 2.624 20 0 JFADRO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001292817123 1065566169 /nfs/dbraw/zinc/56/61/69/1065566169.db2.gz ORECWGNQVMJBFA-QFIPXVFZSA-N 1 0 490.674 2.546 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)cc2F)CC1 ZINC001292855297 1065576388 /nfs/dbraw/zinc/57/63/88/1065576388.db2.gz KSXPCNLGNJGZDZ-DEOSSOPVSA-N 1 0 453.518 2.663 20 0 JFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)c2)C[C@H](C)O1 ZINC001292872687 1065581208 /nfs/dbraw/zinc/58/12/08/1065581208.db2.gz VQQJKHGIFQOQAL-KDURUIRLSA-N 1 0 451.633 2.821 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892390 1065589753 /nfs/dbraw/zinc/58/97/53/1065589753.db2.gz CTKSBHYUTTZFJP-RBBKRZOGSA-N 1 0 454.619 2.607 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001292893220 1065593095 /nfs/dbraw/zinc/59/30/95/1065593095.db2.gz MKZGMOZFCNPVTQ-YCRNBWNJSA-N 1 0 472.609 2.826 20 0 JFADRO CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292922622 1065609950 /nfs/dbraw/zinc/60/99/50/1065609950.db2.gz FGIANYOTVDNROJ-WBVHZDCISA-N 1 0 456.488 2.787 20 0 JFADRO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292934163 1065624058 /nfs/dbraw/zinc/62/40/58/1065624058.db2.gz LFXNSINSMLCXHK-XMMPIXPASA-N 1 0 458.626 2.957 20 0 JFADRO COc1cc(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)ccc1OCC[NH+](C)C ZINC001292942232 1065626826 /nfs/dbraw/zinc/62/68/26/1065626826.db2.gz METJHPRLEUAYSR-UHFFFAOYSA-N 1 0 453.495 2.992 20 0 JFADRO CCN1CC[NH+](CCCCNC(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC001292957245 1065634592 /nfs/dbraw/zinc/63/45/92/1065634592.db2.gz CFCFVAYETISGGT-HXUWFJFHSA-N 1 0 453.425 2.550 20 0 JFADRO Cc1nn(CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001292959054 1065637151 /nfs/dbraw/zinc/63/71/51/1065637151.db2.gz QJHIOKSNJDJCBZ-HNNXBMFYSA-N 1 0 454.541 2.882 20 0 JFADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC001292959319 1065637802 /nfs/dbraw/zinc/63/78/02/1065637802.db2.gz UQSQQORJLQLYTJ-HXUWFJFHSA-N 1 0 458.628 2.515 20 0 JFADRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)ccc2C)c1 ZINC001292959325 1065637845 /nfs/dbraw/zinc/63/78/45/1065637845.db2.gz UTOWFSJJUDMWBN-IBGZPJMESA-N 1 0 458.628 2.718 20 0 JFADRO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001292971122 1065652451 /nfs/dbraw/zinc/65/24/51/1065652451.db2.gz QLIBHTOHFQGVOF-IBGZPJMESA-N 1 0 454.685 2.745 20 0 JFADRO CC[N@H+](CCNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1)C(C)C ZINC001292978113 1065658367 /nfs/dbraw/zinc/65/83/67/1065658367.db2.gz PCYXMBMXVMWPNU-UHFFFAOYSA-N 1 0 451.567 2.829 20 0 JFADRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC001292985128 1065668657 /nfs/dbraw/zinc/66/86/57/1065668657.db2.gz CLKOTEUBTMJAFV-QPPBQGQZSA-N 1 0 452.599 2.666 20 0 JFADRO CN(C)[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1c(F)cccc1Cl ZINC001292985066 1065668777 /nfs/dbraw/zinc/66/87/77/1065668777.db2.gz BSXALXWUSRLDLE-OAQYLSRUSA-N 1 0 453.002 2.923 20 0 JFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986389 1065670979 /nfs/dbraw/zinc/67/09/79/1065670979.db2.gz KQGAEABUBJOYPE-WMZHIEFXSA-N 1 0 453.587 2.721 20 0 JFADRO CCc1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cnn1Cc1ccccc1 ZINC001292986990 1065672478 /nfs/dbraw/zinc/67/24/78/1065672478.db2.gz OEBQBNGVDKSUTG-UHFFFAOYSA-N 1 0 451.615 2.948 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC001292987202 1065673253 /nfs/dbraw/zinc/67/32/53/1065673253.db2.gz UFKGFHGAKHNNPF-UHFFFAOYSA-N 1 0 453.539 2.952 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC001292988122 1065674721 /nfs/dbraw/zinc/67/47/21/1065674721.db2.gz YOZVKNDECJNZJI-FQEVSTJZSA-N 1 0 451.995 2.876 20 0 JFADRO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001292991081 1065677627 /nfs/dbraw/zinc/67/76/27/1065677627.db2.gz GXCYSMXJIHEVQX-GOSISDBHSA-N 1 0 455.607 2.503 20 0 JFADRO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292991480 1065678472 /nfs/dbraw/zinc/67/84/72/1065678472.db2.gz MSFKYEVACUDUQF-SFHVURJKSA-N 1 0 464.014 2.689 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC001292993470 1065680869 /nfs/dbraw/zinc/68/08/69/1065680869.db2.gz PMHZWCAOSOCUHW-XMMPIXPASA-N 1 0 458.628 2.702 20 0 JFADRO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292995919 1065684188 /nfs/dbraw/zinc/68/41/88/1065684188.db2.gz YDQOGWIRFIINQE-FPOVZHCZSA-N 1 0 454.619 2.612 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293026359 1065698829 /nfs/dbraw/zinc/69/88/29/1065698829.db2.gz BAZQBFSHRWWVFV-UXHICEINSA-N 1 0 464.655 2.892 20 0 JFADRO CCc1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293036143 1065705332 /nfs/dbraw/zinc/70/53/32/1065705332.db2.gz HFEMBDXPHAUICK-IFMALSPDSA-N 1 0 464.618 2.849 20 0 JFADRO CCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001293066383 1065717615 /nfs/dbraw/zinc/71/76/15/1065717615.db2.gz JRXIQMABDDZNIK-UHFFFAOYSA-N 1 0 460.574 2.991 20 0 JFADRO CCc1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293066922 1065718860 /nfs/dbraw/zinc/71/88/60/1065718860.db2.gz VUWRLJLUICWEAM-RTBURBONSA-N 1 0 459.614 2.979 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001293072643 1065724868 /nfs/dbraw/zinc/72/48/68/1065724868.db2.gz QQAUTAJRRPKPAA-UHFFFAOYSA-N 1 0 485.946 2.740 20 0 JFADRO CCc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001293073158 1065725766 /nfs/dbraw/zinc/72/57/66/1065725766.db2.gz SFPKAAIXDRNZBF-UHFFFAOYSA-N 1 0 474.675 2.864 20 0 JFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293073854 1065726144 /nfs/dbraw/zinc/72/61/44/1065726144.db2.gz ZAPXIEJRFSGIRW-IRLDBZIGSA-N 1 0 468.646 2.966 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001293075262 1065727169 /nfs/dbraw/zinc/72/71/69/1065727169.db2.gz HZZYVKAVCBUVOA-HXUWFJFHSA-N 1 0 455.607 2.531 20 0 JFADRO CCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293082891 1065732798 /nfs/dbraw/zinc/73/27/98/1065732798.db2.gz AMEBPPHSBKLXOY-FGZHOGPDSA-N 1 0 482.673 2.928 20 0 JFADRO CCOc1ccc([C@]2(C(=O)N3CCN(C(=O)C[NH+](CC)CC)CC3)CC2(Cl)Cl)cc1 ZINC001293082809 1065732918 /nfs/dbraw/zinc/73/29/18/1065732918.db2.gz XIHNXGHJHSSEFO-NRFANRHFSA-N 1 0 456.414 2.913 20 0 JFADRO CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293083323 1065733977 /nfs/dbraw/zinc/73/39/77/1065733977.db2.gz NRMBJPKAUKQAQC-SFTDATJTSA-N 1 0 498.672 2.628 20 0 JFADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293084993 1065735219 /nfs/dbraw/zinc/73/52/19/1065735219.db2.gz AAAXUSAHHGYBIJ-SFTDATJTSA-N 1 0 460.667 2.959 20 0 JFADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293087793 1065737356 /nfs/dbraw/zinc/73/73/56/1065737356.db2.gz ZLSCQOMEDKRIQP-JOCHJYFZSA-N 1 0 473.710 2.733 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293093739 1065742663 /nfs/dbraw/zinc/74/26/63/1065742663.db2.gz IXLNUMQSLRGZNJ-UNMCSNQZSA-N 1 0 456.635 2.579 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293096516 1065746768 /nfs/dbraw/zinc/74/67/68/1065746768.db2.gz UAEJGJXUXOULSY-AZUAARDMSA-N 1 0 462.589 2.849 20 0 JFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001293110145 1065756041 /nfs/dbraw/zinc/75/60/41/1065756041.db2.gz WZBBUPGHXACQFC-XMMPIXPASA-N 1 0 457.018 2.869 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293115957 1065762017 /nfs/dbraw/zinc/76/20/17/1065762017.db2.gz IHQBRHNNZNGNTA-XPWALMASSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001293116288 1065763135 /nfs/dbraw/zinc/76/31/35/1065763135.db2.gz KQOGDYOYDXVPJN-GPJHCHHRSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001293117290 1065765193 /nfs/dbraw/zinc/76/51/93/1065765193.db2.gz ZYUKRCMESJBWGJ-DNVJHFABSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001293118894 1065766297 /nfs/dbraw/zinc/76/62/97/1065766297.db2.gz FYKKGNZVMFEZBE-DNVJHFABSA-N 1 0 473.710 2.732 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001293118899 1065766336 /nfs/dbraw/zinc/76/63/36/1065766336.db2.gz FYKKGNZVMFEZBE-ZLNRFVROSA-N 1 0 473.710 2.732 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001293119529 1065767120 /nfs/dbraw/zinc/76/71/20/1065767120.db2.gz KJXDUHYDBZBBKP-NHCUHLMSSA-N 1 0 471.650 2.697 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001293119610 1065767683 /nfs/dbraw/zinc/76/76/83/1065767683.db2.gz LMICBISDVOIRTL-GGAORHGYSA-N 1 0 467.662 2.666 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001293120328 1065769771 /nfs/dbraw/zinc/76/97/71/1065769771.db2.gz QPEILJPNDFKPCU-QHCPKHFHSA-N 1 0 473.710 2.877 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293121166 1065771474 /nfs/dbraw/zinc/77/14/74/1065771474.db2.gz YEYMPOPJRUNQLJ-VXKWHMMOSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001293121206 1065771795 /nfs/dbraw/zinc/77/17/95/1065771795.db2.gz MRYRKGVPJQFYSD-UHFFFAOYSA-N 1 0 467.662 2.950 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001293121226 1065771811 /nfs/dbraw/zinc/77/18/11/1065771811.db2.gz MZDJDUITXSARRH-JTHBVZDNSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001293121948 1065774501 /nfs/dbraw/zinc/77/45/01/1065774501.db2.gz ZYXISUJNSQAWKT-FQEVSTJZSA-N 1 0 455.651 2.948 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001293129628 1065779861 /nfs/dbraw/zinc/77/98/61/1065779861.db2.gz BPVRYWTYDOXKFP-QGZVFWFLSA-N 1 0 453.509 2.988 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001293129968 1065780364 /nfs/dbraw/zinc/78/03/64/1065780364.db2.gz CROFBXMZBZEPBH-NBGIEHNGSA-N 1 0 491.080 2.633 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC001293130527 1065781768 /nfs/dbraw/zinc/78/17/68/1065781768.db2.gz HVUFDGQTPUQYEI-ZDXQCDESSA-N 1 0 476.710 2.913 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCO[C@H]1CCCC[C@H]1C ZINC001293131557 1065783572 /nfs/dbraw/zinc/78/35/72/1065783572.db2.gz OUVHJXNXJBFMGU-ZLNRFVROSA-N 1 0 462.683 2.667 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001293131589 1065784043 /nfs/dbraw/zinc/78/40/43/1065784043.db2.gz PKBJPQDHANNMKG-RTBURBONSA-N 1 0 450.628 2.645 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001293132688 1065785070 /nfs/dbraw/zinc/78/50/70/1065785070.db2.gz YNGSWHJNXUGVGO-PMACEKPBSA-N 1 0 454.610 2.897 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001293132712 1065785551 /nfs/dbraw/zinc/78/55/51/1065785551.db2.gz ZBXNPXQOROJGAR-UHFFFAOYSA-N 1 0 472.581 2.549 20 0 JFADRO CCc1nnc(N2CCN(Cc3cscn3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293132829 1065785685 /nfs/dbraw/zinc/78/56/85/1065785685.db2.gz ZTQWLILIXUVRPA-UHFFFAOYSA-N 1 0 455.632 2.608 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001293139740 1065790547 /nfs/dbraw/zinc/79/05/47/1065790547.db2.gz URQIHPPKJWHTTL-UHFFFAOYSA-N 1 0 474.675 2.924 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001293184097 1065806039 /nfs/dbraw/zinc/80/60/39/1065806039.db2.gz BSEPAUGMCUMMOG-HOTGVXAUSA-N 1 0 474.013 2.772 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCCO4)n3C[C@H](C)[NH+](CC)CC)CC2)n1 ZINC001293208502 1065839372 /nfs/dbraw/zinc/83/93/72/1065839372.db2.gz PASPMMSTBQQMKJ-ZWKOTPCHSA-N 1 0 462.668 2.991 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@H](C)[NH+](CC)CC)CC2)n1 ZINC001293208500 1065839391 /nfs/dbraw/zinc/83/93/91/1065839391.db2.gz PASPMMSTBQQMKJ-ROUUACIJSA-N 1 0 462.668 2.991 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293209119 1065842446 /nfs/dbraw/zinc/84/24/46/1065842446.db2.gz VFXZTVWGKCQZHW-RTBURBONSA-N 1 0 476.695 2.889 20 0 JFADRO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214188 1065847150 /nfs/dbraw/zinc/84/71/50/1065847150.db2.gz FALLMMDWHCPLDD-FXAWDEMLSA-N 1 0 458.603 2.503 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001293214578 1065848192 /nfs/dbraw/zinc/84/81/92/1065848192.db2.gz ABMLLMORUNVGFE-LAUBAEHRSA-N 1 0 467.618 2.594 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001293215333 1065851663 /nfs/dbraw/zinc/85/16/63/1065851663.db2.gz CZLGYVAHIWNSDQ-OAQYLSRUSA-N 1 0 466.586 2.940 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293216166 1065854369 /nfs/dbraw/zinc/85/43/69/1065854369.db2.gz BIAZPMYRKPKOJF-HXUWFJFHSA-N 1 0 488.658 2.505 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[NH+](CC)CC ZINC001293217565 1065859416 /nfs/dbraw/zinc/85/94/16/1065859416.db2.gz GZWKYVRZWMUKNP-OAQYLSRUSA-N 1 0 450.591 2.782 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293219199 1065865039 /nfs/dbraw/zinc/86/50/39/1065865039.db2.gz UZCIVPPTMGWJAB-GHTZIAJQSA-N 1 0 474.053 2.587 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(COc4cccc(C)c4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001293219476 1065865992 /nfs/dbraw/zinc/86/59/92/1065865992.db2.gz QFXBITRMZBVTDO-SFHVURJKSA-N 1 0 470.647 2.856 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293220124 1065869263 /nfs/dbraw/zinc/86/92/63/1065869263.db2.gz QUQLHMFGJSUKJD-WIYYLYMNSA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001293220976 1065873576 /nfs/dbraw/zinc/87/35/76/1065873576.db2.gz VYOYWCSWQZONLS-ROUUACIJSA-N 1 0 461.408 2.907 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293221352 1065875402 /nfs/dbraw/zinc/87/54/02/1065875402.db2.gz YKJWSSWMWWSNNJ-QAPCUYQASA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001293226529 1065878670 /nfs/dbraw/zinc/87/86/70/1065878670.db2.gz AUPJHMJVRIWZFB-PMACEKPBSA-N 1 0 470.618 2.940 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001293226760 1065879395 /nfs/dbraw/zinc/87/93/95/1065879395.db2.gz CKOONKUEDQATDZ-GOSISDBHSA-N 1 0 491.434 2.533 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293243360 1065905871 /nfs/dbraw/zinc/90/58/71/1065905871.db2.gz SBXCUCNUKASLAI-PMACEKPBSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293243296 1065905912 /nfs/dbraw/zinc/90/59/12/1065905912.db2.gz QQGAMNTVQRMEGU-VQTJNVASSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293243624 1065906689 /nfs/dbraw/zinc/90/66/89/1065906689.db2.gz AFGAGUUAXJUAIN-AVRDEDQJSA-N 1 0 479.050 2.663 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@@H+]1CCC[C@@H]1C ZINC001293248404 1065914413 /nfs/dbraw/zinc/91/44/13/1065914413.db2.gz ZZRNONPQYBRCCC-ZWKOTPCHSA-N 1 0 458.632 2.778 20 0 JFADRO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CC[NH+](CC)CC1 ZINC001293250075 1065915261 /nfs/dbraw/zinc/91/52/61/1065915261.db2.gz FTGHBTREXHLSGL-PMACEKPBSA-N 1 0 454.623 2.578 20 0 JFADRO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293254543 1065918444 /nfs/dbraw/zinc/91/84/44/1065918444.db2.gz ZCGDQCUDSNIEND-OALUTQOASA-N 1 0 454.623 2.576 20 0 JFADRO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293272338 1065928994 /nfs/dbraw/zinc/92/89/94/1065928994.db2.gz LOGFSPLBDBFRPI-ZCNNSNEGSA-N 1 0 482.695 2.500 20 0 JFADRO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001293272887 1065929475 /nfs/dbraw/zinc/92/94/75/1065929475.db2.gz NIOSNGZXZRQBAS-CEWLAPEOSA-N 1 0 482.695 2.500 20 0 JFADRO CN1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001293294867 1065937450 /nfs/dbraw/zinc/93/74/50/1065937450.db2.gz HNBXDGSVRZRNGC-NRFANRHFSA-N 1 0 458.603 2.757 20 0 JFADRO CC[C@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293292670 1065937476 /nfs/dbraw/zinc/93/74/76/1065937476.db2.gz KSUCAFXVSSIFJB-OALUTQOASA-N 1 0 455.607 2.786 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001293358956 1065963511 /nfs/dbraw/zinc/96/35/11/1065963511.db2.gz JWYJIUPMECGOIJ-SFHVURJKSA-N 1 0 480.617 2.966 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001293358955 1065963557 /nfs/dbraw/zinc/96/35/57/1065963557.db2.gz JWYJIUPMECGOIJ-GOSISDBHSA-N 1 0 480.617 2.966 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001293359143 1065963864 /nfs/dbraw/zinc/96/38/64/1065963864.db2.gz LNVKOLYTCINGRA-RPWUZVMVSA-N 1 0 497.688 2.536 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293360745 1065964625 /nfs/dbraw/zinc/96/46/25/1065964625.db2.gz SUAXIWOHWSNNLY-OAQYLSRUSA-N 1 0 496.660 2.885 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 ZINC001293361660 1065965636 /nfs/dbraw/zinc/96/56/36/1065965636.db2.gz AYSOAGNHNSJCAT-INIZCTEOSA-N 1 0 464.412 2.627 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293362526 1065965867 /nfs/dbraw/zinc/96/58/67/1065965867.db2.gz DRXTWSNKXMMLMT-PMACEKPBSA-N 1 0 478.663 2.877 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293363787 1065967509 /nfs/dbraw/zinc/96/75/09/1065967509.db2.gz AFQWMNDJVDANCS-MDNUFGMLSA-N 1 0 483.661 2.972 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001293364186 1065968322 /nfs/dbraw/zinc/96/83/22/1065968322.db2.gz DFPHUGDWTXDZAL-ROUUACIJSA-N 1 0 456.591 2.538 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001293364185 1065968433 /nfs/dbraw/zinc/96/84/33/1065968433.db2.gz DFPHUGDWTXDZAL-QZTJIDSGSA-N 1 0 456.591 2.538 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O ZINC001293364439 1065969327 /nfs/dbraw/zinc/96/93/27/1065969327.db2.gz NOXKZIMHFLSXDG-LJQANCHMSA-N 1 0 469.055 2.848 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001293364433 1065969479 /nfs/dbraw/zinc/96/94/79/1065969479.db2.gz NNDHQBMRBHWVBB-GBESFXJTSA-N 1 0 464.636 2.740 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O ZINC001293365113 1065969608 /nfs/dbraw/zinc/96/96/08/1065969608.db2.gz JVGOVYZPXOAGFE-HXUWFJFHSA-N 1 0 491.658 2.852 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293365712 1065970838 /nfs/dbraw/zinc/97/08/38/1065970838.db2.gz VZAZNLRFFZENNW-IRXDYDNUSA-N 1 0 499.479 2.924 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O ZINC001293365988 1065971319 /nfs/dbraw/zinc/97/13/19/1065971319.db2.gz RBYIUGUOXYZUJE-KRWDZBQOSA-N 1 0 455.028 2.739 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001293366624 1065972096 /nfs/dbraw/zinc/97/20/96/1065972096.db2.gz XAQPKOCMHAKSFU-QHAWAJNXSA-N 1 0 471.650 2.905 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001293369251 1065972512 /nfs/dbraw/zinc/97/25/12/1065972512.db2.gz CJDMFJNKBSETIJ-FGTMMUONSA-N 1 0 472.556 2.551 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001293371009 1065973935 /nfs/dbraw/zinc/97/39/35/1065973935.db2.gz DSUMSYRTZGTLDU-UXHICEINSA-N 1 0 480.704 2.912 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001293373421 1065977488 /nfs/dbraw/zinc/97/74/88/1065977488.db2.gz PZLULYLXQBKZSH-AZUAARDMSA-N 1 0 452.669 2.528 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293373736 1065978322 /nfs/dbraw/zinc/97/83/22/1065978322.db2.gz RFBUDIHRMRHSRS-UNMCSNQZSA-N 1 0 475.659 2.787 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293373847 1065978930 /nfs/dbraw/zinc/97/89/30/1065978930.db2.gz SIBBFTPZKNTQHY-HXUWFJFHSA-N 1 0 489.665 2.722 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001293374135 1065979744 /nfs/dbraw/zinc/97/97/44/1065979744.db2.gz UGBISLAQJICUPS-BDTNDASRSA-N 1 0 496.722 2.748 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293374612 1065980162 /nfs/dbraw/zinc/98/01/62/1065980162.db2.gz YMGXSUCHJOUSHQ-FCHUYYIVSA-N 1 0 491.706 2.808 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293374617 1065980656 /nfs/dbraw/zinc/98/06/56/1065980656.db2.gz YMGXSUCHJOUSHQ-VXKWHMMOSA-N 1 0 491.706 2.808 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293374893 1065980868 /nfs/dbraw/zinc/98/08/68/1065980868.db2.gz YNUFCDPAXOEUFF-HBMCJLEFSA-N 1 0 482.695 2.550 20 0 JFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@@H](C)C1 ZINC001293377339 1065981895 /nfs/dbraw/zinc/98/18/95/1065981895.db2.gz SVDPFKWMSVEHKS-WMZOPIPTSA-N 1 0 459.591 2.507 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293379861 1065984498 /nfs/dbraw/zinc/98/44/98/1065984498.db2.gz VBFLACCMIASPMA-BKMJKUGQSA-N 1 0 490.693 2.936 20 0 JFADRO O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001293383615 1065985362 /nfs/dbraw/zinc/98/53/62/1065985362.db2.gz QEYAZLPWUMKHSE-UHFFFAOYSA-N 1 0 451.523 2.885 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001293398631 1065992180 /nfs/dbraw/zinc/99/21/80/1065992180.db2.gz DBWPGKMNTIFZKV-HKBOAZHASA-N 1 0 482.695 2.502 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001293398632 1065992230 /nfs/dbraw/zinc/99/22/30/1065992230.db2.gz DBWPGKMNTIFZKV-NJDAHSKKSA-N 1 0 482.695 2.502 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407935 1065997358 /nfs/dbraw/zinc/99/73/58/1065997358.db2.gz PVCMXVGHSHDGKB-ILZDJORESA-N 1 0 452.521 2.733 20 0 JFADRO CC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293430137 1066003634 /nfs/dbraw/zinc/00/36/34/1066003634.db2.gz MLSYJUIWXXQTLG-LEWJYISDSA-N 1 0 475.659 2.742 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293461292 1066014938 /nfs/dbraw/zinc/01/49/38/1066014938.db2.gz CZDUMNQXKNCZMP-UXHICEINSA-N 1 0 474.675 2.611 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001293485619 1066022709 /nfs/dbraw/zinc/02/27/09/1066022709.db2.gz SHWAADXWJWKFII-UXHICEINSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H]([NH2+]C1(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCCC1)c1ccccc1 ZINC001293486425 1066023734 /nfs/dbraw/zinc/02/37/34/1066023734.db2.gz HVHUDBDLOWXCAD-GOSISDBHSA-N 1 0 457.596 2.775 20 0 JFADRO COCCn1cc(N2C[C@@H](C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)CC2=O)cn1 ZINC001293487026 1066024083 /nfs/dbraw/zinc/02/40/83/1066024083.db2.gz ZOVCXQHPPXVBOT-FPOVZHCZSA-N 1 0 453.587 2.662 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001293505556 1066029104 /nfs/dbraw/zinc/02/91/04/1066029104.db2.gz HCSCKEYXQOXZIR-HKUYNNGSSA-N 1 0 475.663 2.630 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)CC[N@@H+]1CCOC ZINC001293506146 1066029751 /nfs/dbraw/zinc/02/97/51/1066029751.db2.gz BDKLMKBOERZXEQ-RTBURBONSA-N 1 0 464.680 2.593 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(CCCCC3)O2)CC[N@@H+]1CCOC ZINC001293506701 1066030830 /nfs/dbraw/zinc/03/08/30/1066030830.db2.gz FVHQRXZGVTUOPP-LEWJYISDSA-N 1 0 476.666 2.845 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CC[N@@H+]1CCOC ZINC001293507718 1066031749 /nfs/dbraw/zinc/03/17/49/1066031749.db2.gz CDUVFZJEZRREFS-LJQANCHMSA-N 1 0 467.549 2.660 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C)ccc2OC)CC[N@@H+]1CCOC ZINC001293509770 1066034314 /nfs/dbraw/zinc/03/43/14/1066034314.db2.gz ORXVIQZJCKHJMN-JOCHJYFZSA-N 1 0 484.645 2.621 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cc(C)ccc2OC)CC[N@@H+]1CCOC ZINC001293509772 1066034436 /nfs/dbraw/zinc/03/44/36/1066034436.db2.gz ORXVIQZJCKHJMN-QFIPXVFZSA-N 1 0 484.645 2.621 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC001293510538 1066035849 /nfs/dbraw/zinc/03/58/49/1066035849.db2.gz POTGVTHGFSGNAU-QFIPXVFZSA-N 1 0 485.702 2.566 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC2Cc3ccccc3C2)CC[N@@H+]1CCOC ZINC001293512043 1066038537 /nfs/dbraw/zinc/03/85/37/1066038537.db2.gz ZDJGARYUCWRCPO-HSZRJFAPSA-N 1 0 468.646 2.768 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@@H+]1CCOC ZINC001293522997 1066044299 /nfs/dbraw/zinc/04/42/99/1066044299.db2.gz HJNRVRJTSRXAKQ-HKUYNNGSSA-N 1 0 489.024 2.795 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001293524072 1066045197 /nfs/dbraw/zinc/04/51/97/1066045197.db2.gz KRVIPQRSEXHCOS-MFSJNOQSSA-N 1 0 493.649 2.972 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC001293530697 1066050138 /nfs/dbraw/zinc/05/01/38/1066050138.db2.gz HBXCXTWVQAGYGF-IBGZPJMESA-N 1 0 493.450 2.733 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCSCC2)CCS1 ZINC001293530617 1066050251 /nfs/dbraw/zinc/05/02/51/1066050251.db2.gz GFHLCCDJXVQCSN-GHTZIAJQSA-N 1 0 455.694 2.699 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001293531081 1066051027 /nfs/dbraw/zinc/05/10/27/1066051027.db2.gz KENUBWZSNZPEFQ-DENIHFKCSA-N 1 0 471.593 2.911 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOC2=O)CC[N@@H+]1CCOC ZINC001293540081 1066058270 /nfs/dbraw/zinc/05/82/70/1066058270.db2.gz LEYSJZYSYITLQD-FQEVSTJZSA-N 1 0 477.009 2.988 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H](C)O1 ZINC001293540973 1066060436 /nfs/dbraw/zinc/06/04/36/1066060436.db2.gz RVBWWYQPWPBQRM-QWFCFKBJSA-N 1 0 461.632 2.837 20 0 JFADRO C[C@H](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC001293543252 1066063181 /nfs/dbraw/zinc/06/31/81/1066063181.db2.gz XPVGPTRKZOTOJK-KZNAEPCWSA-N 1 0 457.040 2.905 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)nc2)CC[N@@H+]1CCOC ZINC001293549244 1066065392 /nfs/dbraw/zinc/06/53/92/1066065392.db2.gz IXYHVXVACUMUQG-HXUWFJFHSA-N 1 0 453.591 2.903 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@@H](CC)C1 ZINC001293555112 1066068870 /nfs/dbraw/zinc/06/88/70/1066068870.db2.gz IRYQISWKEFWGCC-PXNSSMCTSA-N 1 0 455.636 2.983 20 0 JFADRO 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CCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293824951 1066333255 /nfs/dbraw/zinc/33/32/55/1066333255.db2.gz YJBIMMKSICNDQS-DFBJGRDBSA-N 1 0 476.616 2.914 20 0 JFADRO CCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293824952 1066333792 /nfs/dbraw/zinc/33/37/92/1066333792.db2.gz YJBIMMKSICNDQS-KBMIEXCESA-N 1 0 476.616 2.914 20 0 JFADRO CCC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001293840347 1066343880 /nfs/dbraw/zinc/34/38/80/1066343880.db2.gz YWLZAZYHMIUTJU-HSZRJFAPSA-N 1 0 457.648 2.927 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001293850063 1066354752 /nfs/dbraw/zinc/35/47/52/1066354752.db2.gz MYGDEXWOAUZUQJ-UYAOXDASSA-N 1 0 458.607 2.557 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001293856480 1066363819 /nfs/dbraw/zinc/36/38/19/1066363819.db2.gz MQXIKWJKDWAZNJ-OAQYLSRUSA-N 1 0 476.629 2.918 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001293856973 1066364151 /nfs/dbraw/zinc/36/41/51/1066364151.db2.gz OZSFQGMZLCZGGP-RTWAWAEBSA-N 1 0 478.645 2.942 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001293856971 1066364327 /nfs/dbraw/zinc/36/43/27/1066364327.db2.gz OZSFQGMZLCZGGP-LEWJYISDSA-N 1 0 478.645 2.942 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001293861551 1066370493 /nfs/dbraw/zinc/37/04/93/1066370493.db2.gz UNLFNCNFMDJHAX-HXUWFJFHSA-N 1 0 450.624 2.567 20 0 JFADRO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1=O ZINC001293881797 1066387949 /nfs/dbraw/zinc/38/79/49/1066387949.db2.gz VMJKBNLRWHWKEE-JOCHJYFZSA-N 1 0 450.942 2.723 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001293890219 1066392059 /nfs/dbraw/zinc/39/20/59/1066392059.db2.gz XSFAEIDJYBOSDR-BURNTYAHSA-N 1 0 484.711 2.604 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001293920979 1066401501 /nfs/dbraw/zinc/40/15/01/1066401501.db2.gz BRXBVMJWSKUJII-WIYYLYMNSA-N 1 0 459.660 2.904 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001293924337 1066404904 /nfs/dbraw/zinc/40/49/04/1066404904.db2.gz PETZQASPWMLKBZ-SLFFLAALSA-N 1 0 484.711 2.746 20 0 JFADRO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c(OC)c1 ZINC001293924494 1066404979 /nfs/dbraw/zinc/40/49/79/1066404979.db2.gz JBZTXNRACRRIPF-JOCHJYFZSA-N 1 0 451.567 2.524 20 0 JFADRO O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCCC[NH+]1CCC(O)CC1 ZINC001293927480 1066407575 /nfs/dbraw/zinc/40/75/75/1066407575.db2.gz AFTOHHYCZLPGBN-UHFFFAOYSA-N 1 0 455.584 2.642 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001293930571 1066408956 /nfs/dbraw/zinc/40/89/56/1066408956.db2.gz CTFXRFYFLALXSC-HBMCJLEFSA-N 1 0 475.682 2.812 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001293933794 1066413441 /nfs/dbraw/zinc/41/34/41/1066413441.db2.gz TWTQKHCXYMFUKO-ACRUOGEOSA-N 1 0 473.666 2.520 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)C1 ZINC001293945397 1066436985 /nfs/dbraw/zinc/43/69/85/1066436985.db2.gz LULXSAGZXUHINZ-VXKWHMMOSA-N 1 0 487.693 2.798 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)C1 ZINC001293945395 1066437002 /nfs/dbraw/zinc/43/70/02/1066437002.db2.gz LULXSAGZXUHINZ-FCHUYYIVSA-N 1 0 487.693 2.798 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967952 1066467321 /nfs/dbraw/zinc/46/73/21/1066467321.db2.gz YWOYXEJMUWSHID-XYJFISCASA-N 1 0 452.393 2.665 20 0 JFADRO CCCC(O)(CCC)Cn1c(-c2cnccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001294003082 1066502149 /nfs/dbraw/zinc/50/21/49/1066502149.db2.gz DVFXEFZEWBDZSI-LJQANCHMSA-N 1 0 457.623 2.756 20 0 JFADRO CCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC001294016171 1066510381 /nfs/dbraw/zinc/51/03/81/1066510381.db2.gz NXYRRLHMISOSDF-SFHVURJKSA-N 1 0 452.669 2.923 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001294054644 1066526776 /nfs/dbraw/zinc/52/67/76/1066526776.db2.gz LFYPSMZSXNDBPQ-AVRDEDQJSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)nc2OC)CC[N@@H+]1CCOC ZINC001294054802 1066527593 /nfs/dbraw/zinc/52/75/93/1066527593.db2.gz OHAPAOKFHWFZNM-IBGZPJMESA-N 1 0 460.623 2.973 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC001294055325 1066528900 /nfs/dbraw/zinc/52/89/00/1066528900.db2.gz USWLRDWDRPQFJX-OAQYLSRUSA-N 1 0 470.618 2.508 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC)CC[N@@H+]1CCOC ZINC001294056183 1066530407 /nfs/dbraw/zinc/53/04/07/1066530407.db2.gz ZWNITBLQMCVYSS-OAQYLSRUSA-N 1 0 470.618 2.508 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294058583 1066531238 /nfs/dbraw/zinc/53/12/38/1066531238.db2.gz SCWOPYQNHYTEHM-VSKRKVRLSA-N 1 0 496.722 2.543 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294058584 1066531265 /nfs/dbraw/zinc/53/12/65/1066531265.db2.gz SCWOPYQNHYTEHM-YPAWHYETSA-N 1 0 496.722 2.543 20 0 JFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001294064022 1066534536 /nfs/dbraw/zinc/53/45/36/1066534536.db2.gz FOJYPYXJUWNJEB-OAQYLSRUSA-N 1 0 451.489 2.874 20 0 JFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)cc2)CC1 ZINC001294064319 1066534966 /nfs/dbraw/zinc/53/49/66/1066534966.db2.gz JVVHOOQAVNNINQ-UHFFFAOYSA-N 1 0 453.518 2.573 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294065676 1066536513 /nfs/dbraw/zinc/53/65/13/1066536513.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 1 0 456.635 2.603 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294066832 1066536668 /nfs/dbraw/zinc/53/66/68/1066536668.db2.gz FFRMPNHIQLALKG-PXDATVDWSA-N 1 0 473.618 2.696 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCc2n[nH]c(C)n2)CC[N@@H+]1CCOC ZINC001294072246 1066541177 /nfs/dbraw/zinc/54/11/77/1066541177.db2.gz FBYPYBXTMZQLOF-HXUWFJFHSA-N 1 0 452.607 2.860 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294074580 1066543566 /nfs/dbraw/zinc/54/35/66/1066543566.db2.gz TZDFAYXOLVONJK-CYFREDJKSA-N 1 0 461.582 2.827 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CC[N@@H+]1CCOC ZINC001294075509 1066544613 /nfs/dbraw/zinc/54/46/13/1066544613.db2.gz AFRTUXWLQOTQPB-NRFANRHFSA-N 1 0 459.639 2.823 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CC[N@@H+]1CCOC ZINC001294076110 1066545079 /nfs/dbraw/zinc/54/50/79/1066545079.db2.gz FPSGDPSQLHOYBY-SFHVURJKSA-N 1 0 463.652 2.585 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC[N@@H+]1CCOC ZINC001294076295 1066545111 /nfs/dbraw/zinc/54/51/11/1066545111.db2.gz HLZQSBHAHIPJGR-JOCHJYFZSA-N 1 0 494.644 2.871 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001294077885 1066547377 /nfs/dbraw/zinc/54/73/77/1066547377.db2.gz TYQRNSJPIILTTC-DVECYGJZSA-N 1 0 457.623 2.613 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CC[N@@H+]1CCOC ZINC001294077877 1066547520 /nfs/dbraw/zinc/54/75/20/1066547520.db2.gz SZYHRQLURPAIKV-OAQYLSRUSA-N 1 0 451.575 2.729 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@@H+]1CCOC ZINC001294078607 1066548363 /nfs/dbraw/zinc/54/83/63/1066548363.db2.gz BKCZSBXOLXZFKD-SFTDATJTSA-N 1 0 471.650 2.619 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294080188 1066548775 /nfs/dbraw/zinc/54/87/75/1066548775.db2.gz COKZGOSHHSHSRN-IEBWSBKVSA-N 1 0 458.573 2.977 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001294082980 1066552385 /nfs/dbraw/zinc/55/23/85/1066552385.db2.gz UJKMTNSUXJNHKD-YYDVJCTNSA-N 1 0 463.648 2.688 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294084150 1066553591 /nfs/dbraw/zinc/55/35/91/1066553591.db2.gz ZACUMUHIYILXBP-YADHBBJMSA-N 1 0 472.634 2.687 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001294085283 1066555151 /nfs/dbraw/zinc/55/51/51/1066555151.db2.gz DPTLDAPPESKFOB-UWHLTILDSA-N 1 0 467.680 2.554 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)[NH+](CC)CC)CCO1 ZINC001294086039 1066556790 /nfs/dbraw/zinc/55/67/90/1066556790.db2.gz VXJPJIFSJMBIJG-RTBURBONSA-N 1 0 477.679 2.974 20 0 JFADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC[N@@H+]1CCOC ZINC001294087839 1066559947 /nfs/dbraw/zinc/55/99/47/1066559947.db2.gz XYNBOVXTOJMORS-NBGIEHNGSA-N 1 0 460.667 2.815 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294092216 1066562969 /nfs/dbraw/zinc/56/29/69/1066562969.db2.gz UVZDTXUJGGLALM-HOYKHHGWSA-N 1 0 495.640 2.952 20 0 JFADRO C[NH+](C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccccc1 ZINC000016599037 563013142 /nfs/dbraw/zinc/01/31/42/563013142.db2.gz WFRDPVULDZOQDH-JOCHJYFZSA-N 1 0 479.562 2.690 20 0 JFADRO O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccc(C(F)(F)N2CCOCC23C[NH2+]C3)c1 ZINC001164404894 718860652 /nfs/dbraw/zinc/86/06/52/718860652.db2.gz QSEJKAFYHJQEAP-UHFFFAOYSA-N 1 0 495.939 2.808 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001164416063 718884873 /nfs/dbraw/zinc/88/48/73/718884873.db2.gz RLEWXOQVBQRFCN-UHFFFAOYSA-N 1 0 489.914 2.722 20 0 JFADRO CN1CCN(Cc2cc3nc(N4CCCC[C@@H]4C4CC[NH2+]CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417324 718892472 /nfs/dbraw/zinc/89/24/72/718892472.db2.gz JNTQXWOFZJNHPB-HSZRJFAPSA-N 1 0 499.729 2.634 20 0 JFADRO 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CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164615963 719007775 /nfs/dbraw/zinc/00/77/75/719007775.db2.gz KEJGGLPUSIEWJY-ZHRRBRCNSA-N 1 0 499.990 2.661 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164617374 719010556 /nfs/dbraw/zinc/01/05/56/719010556.db2.gz NSNJXLPKGMNWFV-BLVKFPJESA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164617375 719010722 /nfs/dbraw/zinc/01/07/22/719010722.db2.gz NSNJXLPKGMNWFV-BUXKBTBVSA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)C1CCN(c2ccc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)nn2)CC1 ZINC001164618006 719029319 /nfs/dbraw/zinc/02/93/19/719029319.db2.gz UJJWAJODBKMUPD-UHFFFAOYSA-N 1 0 473.618 2.500 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)NC(CC)CC)cn3)CC2)CC1 ZINC001164617061 719032913 /nfs/dbraw/zinc/03/29/13/719032913.db2.gz GACWVVZQIOZTGZ-UHFFFAOYSA-N 1 0 466.648 2.792 20 0 JFADRO COC(=O)c1cc2ccc(N3CC[NH+](CC(C)C)CC3)nc2n1S(=O)(=O)c1ccccc1 ZINC001164654718 719334673 /nfs/dbraw/zinc/33/46/73/719334673.db2.gz VCLVULRRRVRESR-UHFFFAOYSA-N 1 0 456.568 2.838 20 0 JFADRO CC(C)N(c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1)c1ncnc2c1CC[NH2+]CC2 ZINC001164663215 719345090 /nfs/dbraw/zinc/34/50/90/719345090.db2.gz WVOYUBISJOLNHT-LJQANCHMSA-N 1 0 495.672 2.905 20 0 JFADRO CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164664548 719357855 /nfs/dbraw/zinc/35/78/55/719357855.db2.gz OFFOUSNVUVDAJB-RUZDIDTESA-N 1 0 451.619 2.657 20 0 JFADRO CCOC(=O)c1cncnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680971 719655416 /nfs/dbraw/zinc/65/54/16/719655416.db2.gz KHVKCSBIAWOGSF-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO CCOC(=O)c1cncc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683264 719667054 /nfs/dbraw/zinc/66/70/54/719667054.db2.gz RFBBYXZCMVJXAI-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccnc(-n4ccccc4=O)n3)CC2)c2ccccc21 ZINC001164682725 719678665 /nfs/dbraw/zinc/67/86/65/719678665.db2.gz PMURWIIKTSUJRK-OAQYLSRUSA-N 1 0 486.620 2.721 20 0 JFADRO COCc1nc(OC)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683197 719682883 /nfs/dbraw/zinc/68/28/83/719682883.db2.gz FIMNLCVHJBKWBF-IBGZPJMESA-N 1 0 467.614 2.725 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)CC2 ZINC001164690294 719737012 /nfs/dbraw/zinc/73/70/12/719737012.db2.gz YUMCPTASZBGDRP-UHFFFAOYSA-N 1 0 450.921 2.918 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691236 719811955 /nfs/dbraw/zinc/81/19/55/719811955.db2.gz BLEJWNUDDZLBSR-UHFFFAOYSA-N 1 0 486.642 2.890 20 0 JFADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164697059 719894549 /nfs/dbraw/zinc/89/45/49/719894549.db2.gz JBAZOLPAIOBTKQ-UHFFFAOYSA-N 1 0 491.017 2.976 20 0 JFADRO 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COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164716981 720125102 /nfs/dbraw/zinc/12/51/02/720125102.db2.gz MTFQQXCCIYENFS-LJQANCHMSA-N 1 0 462.554 2.714 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)CC2 ZINC001164714248 720127086 /nfs/dbraw/zinc/12/70/86/720127086.db2.gz BEKWNBQFLWTTHD-QHCPKHFHSA-N 1 0 494.640 2.769 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812564 720129222 /nfs/dbraw/zinc/12/92/22/720129222.db2.gz PHVJDLONOMEZJJ-IERDGZPVSA-N 1 0 456.418 2.805 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164713100 720150449 /nfs/dbraw/zinc/15/04/49/720150449.db2.gz QVOMSVDZLXYISC-OAQYLSRUSA-N 1 0 454.644 2.932 20 0 JFADRO CCOC(=O)c1cnc(Cl)c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1Cl ZINC001164717059 720173135 /nfs/dbraw/zinc/17/31/35/720173135.db2.gz KAKDISVUEGGKGG-MRXNPFEDSA-N 1 0 483.400 2.910 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717719 720174255 /nfs/dbraw/zinc/17/42/55/720174255.db2.gz LUMLIIIQQXTJBJ-LBPRGKRZSA-N 1 0 498.806 2.725 20 0 JFADRO COc1ccc2nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c(Cl)nc2c1 ZINC001164717116 720177903 /nfs/dbraw/zinc/17/79/03/720177903.db2.gz KWVBYGDHPFCGDA-LJQANCHMSA-N 1 0 457.966 2.637 20 0 JFADRO Cn1nnc2c1CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713824 720194273 /nfs/dbraw/zinc/19/42/73/720194273.db2.gz DZHLZEHYFCADER-LJQANCHMSA-N 1 0 466.590 2.774 20 0 JFADRO Cn1nnc2c1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164713307 720194865 /nfs/dbraw/zinc/19/48/65/720194865.db2.gz ATJZUDNFIFYZIS-SFHVURJKSA-N 1 0 497.604 2.650 20 0 JFADRO Cn1nnc2c1CCN(c1ncccc1C(=O)N1CCc3ccccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717762 720196436 /nfs/dbraw/zinc/19/64/36/720196436.db2.gz WUUDKEAYLHJDPN-XMMPIXPASA-N 1 0 487.608 2.629 20 0 JFADRO CCOc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714516 720200963 /nfs/dbraw/zinc/20/09/63/720200963.db2.gz GCSUZAXETSTZBZ-QHCPKHFHSA-N 1 0 463.586 2.887 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716026 720203484 /nfs/dbraw/zinc/20/34/84/720203484.db2.gz OQDPUEMOYBFQDT-QGZVFWFLSA-N 1 0 499.950 2.717 20 0 JFADRO COC(=O)c1cc2c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)[nH]c(Cl)cc-2n1 ZINC001164814555 720231097 /nfs/dbraw/zinc/23/10/97/720231097.db2.gz YFAQTSXQKPJYNH-UHFFFAOYSA-N 1 0 458.950 2.810 20 0 JFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164812968 720237355 /nfs/dbraw/zinc/23/73/55/720237355.db2.gz LGUMYSKQGDQZPD-UHFFFAOYSA-N 1 0 469.920 2.874 20 0 JFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164820855 720289198 /nfs/dbraw/zinc/28/91/98/720289198.db2.gz YEXPTEZNPJRSQY-WOJBJXKFSA-N 1 0 490.608 2.971 20 0 JFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164820853 720289629 /nfs/dbraw/zinc/28/96/29/720289629.db2.gz YEXPTEZNPJRSQY-UXHICEINSA-N 1 0 490.608 2.971 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820958 720291844 /nfs/dbraw/zinc/29/18/44/720291844.db2.gz IHWOADOQGWFYTA-SJORKVTESA-N 1 0 485.963 2.763 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164820154 720306044 /nfs/dbraw/zinc/30/60/44/720306044.db2.gz GXYOACVHXTYJST-IAGOWNOFSA-N 1 0 470.948 2.978 20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819666 720315451 /nfs/dbraw/zinc/31/54/51/720315451.db2.gz FQTUHSVTMKCFFH-IRXDYDNUSA-N 1 0 470.948 2.978 20 0 JFADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828417 720318005 /nfs/dbraw/zinc/31/80/05/720318005.db2.gz JHSLCQARSCECFI-CVEARBPZSA-N 1 0 482.050 2.940 20 0 JFADRO 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C[N@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)nc1)C1CC1 ZINC001164900189 721495649 /nfs/dbraw/zinc/49/56/49/721495649.db2.gz NDAJCVWISHXLKC-HMXCVIKNSA-N 1 0 450.616 2.898 20 0 JFADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164795459 721502289 /nfs/dbraw/zinc/50/22/89/721502289.db2.gz HSUKNOQRHOHUGX-UHFFFAOYSA-N 1 0 450.587 2.661 20 0 JFADRO C[C@H]1CCCCN1c1nc2ccccc2nc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799209 721518400 /nfs/dbraw/zinc/51/84/00/721518400.db2.gz YURUVNOLRNJCSC-FQEVSTJZSA-N 1 0 460.630 2.973 20 0 JFADRO COc1ccc(Oc2nc(Cl)ncc2N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc1 ZINC001164795198 721522156 /nfs/dbraw/zinc/52/21/56/721522156.db2.gz LVNORLFGMDGNRI-UHFFFAOYSA-N 1 0 469.977 2.895 20 0 JFADRO O=S(=O)(c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164907594 721553350 /nfs/dbraw/zinc/55/33/50/721553350.db2.gz OURHHYRQGJPOLV-PZJWPPBQSA-N 1 0 460.575 2.737 20 0 JFADRO O=S(=O)(c1ccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164907592 721553692 /nfs/dbraw/zinc/55/36/92/721553692.db2.gz OURHHYRQGJPOLV-FPOVZHCZSA-N 1 0 460.575 2.737 20 0 JFADRO O=C(c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906865 721555906 /nfs/dbraw/zinc/55/59/06/721555906.db2.gz LGNGVNVQOKYDJB-AZUAARDMSA-N 1 0 460.937 2.688 20 0 JFADRO O=C(c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906874 721556030 /nfs/dbraw/zinc/55/60/30/721556030.db2.gz LGNGVNVQOKYDJB-UYAOXDASSA-N 1 0 460.937 2.688 20 0 JFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164908708 721568204 /nfs/dbraw/zinc/56/82/04/721568204.db2.gz RSTPKKBRYMEBJJ-MJGOQNOKSA-N 1 0 457.502 2.916 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c2cc1OC(C)=O ZINC001164805400 721569108 /nfs/dbraw/zinc/56/91/08/721569108.db2.gz NNPSUJFGSGUJDY-WRALFONMSA-N 1 0 491.548 2.744 20 0 JFADRO CCOC[C@@H]1c2c(cnn2CC2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164902244 721578165 /nfs/dbraw/zinc/57/81/65/721578165.db2.gz DQNZXLIZDGLJBW-JOCHJYFZSA-N 1 0 454.619 2.597 20 0 JFADRO Cc1cccc(CN2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2=O)n1 ZINC001164797590 721602823 /nfs/dbraw/zinc/60/28/23/721602823.db2.gz CEDXLONDUSPLQY-DHIUTWEWSA-N 1 0 465.598 2.514 20 0 JFADRO COC(=O)C1CCN(c2nccnc2N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)CC1 ZINC001164907650 721714657 /nfs/dbraw/zinc/71/46/57/721714657.db2.gz SGYYPYGASTYDHU-DEOSSOPVSA-N 1 0 486.567 2.999 20 0 JFADRO O=S(=O)(c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1)N1CCCC1 ZINC001164906133 721715860 /nfs/dbraw/zinc/71/58/60/721715860.db2.gz KELDMQFBRCRLBY-JOCHJYFZSA-N 1 0 477.581 2.999 20 0 JFADRO O=S(=O)(c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1)N1CCCC1 ZINC001164913861 721724223 /nfs/dbraw/zinc/72/42/23/721724223.db2.gz YZWHGAKTBQOBJJ-QFIPXVFZSA-N 1 0 477.581 2.999 20 0 JFADRO O=C(NC1CCOCC1)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913431 721730129 /nfs/dbraw/zinc/73/01/29/721730129.db2.gz VRUZERLACJCQEK-HSZRJFAPSA-N 1 0 472.540 2.518 20 0 JFADRO O=S(=O)(c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1)N1CCCC1 ZINC001164909768 721730255 /nfs/dbraw/zinc/73/02/55/721730255.db2.gz DMTJIBYPAZHFPA-JOCHJYFZSA-N 1 0 477.581 2.999 20 0 JFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c(Cl)nc(Cl)nc32)CC1 ZINC001165010675 721733694 /nfs/dbraw/zinc/73/36/94/721733694.db2.gz KEBZKWVJMWAUIV-UHFFFAOYSA-N 1 0 458.781 2.903 20 0 JFADRO C[NH+]1CCN(c2ccc(N3C[C@H](c4ccccc4)[C@]4(CCN(c5cccnc5)C4=O)C3)nn2)CC1 ZINC001164912831 721739820 /nfs/dbraw/zinc/73/98/20/721739820.db2.gz QLMMXMNWPDDSCF-KCWPFWIISA-N 1 0 469.593 2.651 20 0 JFADRO Cn1cc(C(=O)N[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@@H]23)cn1 ZINC001165012691 721756011 /nfs/dbraw/zinc/75/60/11/721756011.db2.gz GQPNJIONRLEFBD-MZKUHISZSA-N 1 0 472.593 2.540 20 0 JFADRO Cn1cc(C(=O)N[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)[C@@H]3CCCO[C@H]23)cn1 ZINC001165012690 721756206 /nfs/dbraw/zinc/75/62/06/721756206.db2.gz GQPNJIONRLEFBD-DGWZTRNLSA-N 1 0 472.593 2.540 20 0 JFADRO c1nc(CN(c2ncccn2)c2ncnc3c2CCN(Cc2ccccc2)C3)c2n1CCC[NH2+]C2 ZINC001165016752 721767040 /nfs/dbraw/zinc/76/70/40/721767040.db2.gz YFAOFHNYOFJJBH-UHFFFAOYSA-N 1 0 467.581 2.853 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024240 721819312 /nfs/dbraw/zinc/81/93/12/721819312.db2.gz KAYPQADBSKVWJP-PMOQBDJRSA-N 1 0 480.613 2.622 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165024244 721819375 /nfs/dbraw/zinc/81/93/75/721819375.db2.gz KAYPQADBSKVWJP-WWPVKYPJSA-N 1 0 480.613 2.622 20 0 JFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc(N5CCOCC5)n4)CC3)C2)cc1 ZINC001164939759 721923734 /nfs/dbraw/zinc/92/37/34/721923734.db2.gz MSGCLRXKCWNEQL-UHFFFAOYSA-N 1 0 458.994 2.541 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCC(C[NH+](C)C)CC3)c2c1C ZINC001165044803 721948915 /nfs/dbraw/zinc/94/89/15/721948915.db2.gz IUNMVSKMCBXCRF-UHFFFAOYSA-N 1 0 461.632 2.787 20 0 JFADRO O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1nc(Cl)ccc1CN1CCCC1 ZINC001164947380 721991384 /nfs/dbraw/zinc/99/13/84/721991384.db2.gz CLCXPROLJCACMA-XMSQKQJNSA-N 1 0 469.051 2.931 20 0 JFADRO c1ccc(CC[NH+]2CCN(c3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)CC2)nc1 ZINC001165055157 722016958 /nfs/dbraw/zinc/01/69/58/722016958.db2.gz KHHFVNHQPGLHOI-UHFFFAOYSA-N 1 0 464.639 2.772 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164960305 722047780 /nfs/dbraw/zinc/04/77/80/722047780.db2.gz UWTJFXZNWFOYAW-CNNODRBYSA-N 1 0 495.624 2.824 20 0 JFADRO COC(=O)c1cc2c(OC)[nH]c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc-2n1 ZINC001164962260 722055661 /nfs/dbraw/zinc/05/56/61/722055661.db2.gz BYZGLAPKCDCHBC-UHFFFAOYSA-N 1 0 465.554 2.872 20 0 JFADRO O=C1NCCc2[nH]c(-c3ccnc(N4CCC5(CC4)COCC[N@H+](Cc4ccncc4)C5)c3)cc21 ZINC001164964982 722055792 /nfs/dbraw/zinc/05/57/92/722055792.db2.gz ZOTHIPSLOGRQLA-UHFFFAOYSA-N 1 0 472.593 2.877 20 0 JFADRO CCOC(=O)C1CCN(c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)CC1 ZINC001164960040 722057698 /nfs/dbraw/zinc/05/76/98/722057698.db2.gz FFLYVSQATQFKIK-UHFFFAOYSA-N 1 0 494.640 2.770 20 0 JFADRO COc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(N2CCCCCC2)n1 ZINC001164962511 722059552 /nfs/dbraw/zinc/05/95/52/722059552.db2.gz SWWMRQUDIUSCEU-UHFFFAOYSA-N 1 0 467.618 2.775 20 0 JFADRO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)cc2C1 ZINC001164962219 722059819 /nfs/dbraw/zinc/05/98/19/722059819.db2.gz QJXSLXXJWJOVBV-UHFFFAOYSA-N 1 0 466.586 2.505 20 0 JFADRO Cn1ccnc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2CCCO[C@H]12 ZINC001164974473 722093854 /nfs/dbraw/zinc/09/38/54/722093854.db2.gz DNMLSJCNFZPPLK-CEXWTWQISA-N 1 0 492.958 2.556 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982723 722101552 /nfs/dbraw/zinc/10/15/52/722101552.db2.gz OCISFHDGSSMFEO-WMZOPIPTSA-N 1 0 481.931 2.974 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164972552 722137653 /nfs/dbraw/zinc/13/76/53/722137653.db2.gz ACCONUIYEWHKGI-LPHOPBHVSA-N 1 0 470.961 2.531 20 0 JFADRO O=C(Nc1nncs1)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982111 722145619 /nfs/dbraw/zinc/14/56/19/722145619.db2.gz RDQIEKHXINRYAY-LPHOPBHVSA-N 1 0 486.001 2.961 20 0 JFADRO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164973014 722159192 /nfs/dbraw/zinc/15/91/92/722159192.db2.gz JXLPUHJPQMHYJG-SJLPKXTDSA-N 1 0 486.972 2.806 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CCC2 ZINC001165000562 722251250 /nfs/dbraw/zinc/25/12/50/722251250.db2.gz RYGIJHSVYAICEB-UHFFFAOYSA-N 1 0 469.968 2.960 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001165004700 722270124 /nfs/dbraw/zinc/27/01/24/722270124.db2.gz CCJMWMXAUQPSJP-RUZDIDTESA-N 1 0 453.562 2.621 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109363 1059520426 /nfs/dbraw/zinc/52/04/26/1059520426.db2.gz OPSPPYTWCWSNGR-YADHBBJMSA-N 1 0 459.616 2.515 20 0 JFADRO CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)CC2)cc1 ZINC001264436271 1059592489 /nfs/dbraw/zinc/59/24/89/1059592489.db2.gz OFYHUECXGPBULH-GOSISDBHSA-N 1 0 453.568 2.928 20 0 JFADRO O=C(NCCS(=O)(=O)NCc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC001264583252 1059619579 /nfs/dbraw/zinc/61/95/79/1059619579.db2.gz CQSXEHQQMJHKRT-LOSJGSFVSA-N 1 0 478.618 2.533 20 0 JFADRO CN(c1ccc(NC(=O)c2nn(C)cc2I)cc1)C1CC[NH+](C)CC1 ZINC001264730384 1059659348 /nfs/dbraw/zinc/65/93/48/1059659348.db2.gz ZNPCVNBUGVRUFZ-UHFFFAOYSA-N 1 0 453.328 2.807 20 0 JFADRO COc1cc(I)ccc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC001264759035 1059665702 /nfs/dbraw/zinc/66/57/02/1059665702.db2.gz IGLQQTHFMYZJKR-UHFFFAOYSA-N 1 0 452.296 2.699 20 0 JFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843109 1059703106 /nfs/dbraw/zinc/70/31/06/1059703106.db2.gz GBEVUCOCZJAWRX-RDTXWAMCSA-N 1 0 450.511 2.690 20 0 JFADRO Cc1cc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1-c1nc(C)cc(C)n1 ZINC001264891021 1059718849 /nfs/dbraw/zinc/71/88/49/1059718849.db2.gz OLYOCESDBYWYJU-SFHVURJKSA-N 1 0 451.550 2.969 20 0 JFADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001265131962 1059775412 /nfs/dbraw/zinc/77/54/12/1059775412.db2.gz PXBRRAPCADBZME-UHFFFAOYSA-N 1 0 451.502 2.773 20 0 JFADRO Cc1sc2ncn(CC(=O)Nc3ccc(C(=O)NCC[NH+]4CCCC4)cc3)c(=O)c2c1C ZINC001265132216 1059775599 /nfs/dbraw/zinc/77/55/99/1059775599.db2.gz YLDXKGWTJXYQBH-UHFFFAOYSA-N 1 0 453.568 2.539 20 0 JFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC001265161997 1059785142 /nfs/dbraw/zinc/78/51/42/1059785142.db2.gz IKGCZFJYTRPKJR-FQEVSTJZSA-N 1 0 456.568 2.802 20 0 JFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CSc3nnnn3C3CCCC3)cc2)CC1 ZINC001265161975 1059785163 /nfs/dbraw/zinc/78/51/63/1059785163.db2.gz HUVQLZYRYQZDLY-UHFFFAOYSA-N 1 0 458.592 2.735 20 0 JFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC001265212240 1059795866 /nfs/dbraw/zinc/79/58/66/1059795866.db2.gz TYRKYFZQYMYKGB-FQEVSTJZSA-N 1 0 455.624 2.872 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001265247167 1059805683 /nfs/dbraw/zinc/80/56/83/1059805683.db2.gz LPEQLLWMIYWCPW-IRLDBZIGSA-N 1 0 455.603 2.719 20 0 JFADRO CC(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)Oc2ccccc21 ZINC001265247642 1059806052 /nfs/dbraw/zinc/80/60/52/1059806052.db2.gz PALQDRQWCGSUSK-NZQKXSOJSA-N 1 0 450.539 2.605 20 0 JFADRO CCOC(=O)N1CCC[C@@H](C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C1 ZINC001265255287 1059808846 /nfs/dbraw/zinc/80/88/46/1059808846.db2.gz MZUCXZPYGPIOSB-MRXNPFEDSA-N 1 0 456.509 2.942 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3([NH+](C)C)Cc4ccccc4C3)CC2)cc1 ZINC001265432050 1059858419 /nfs/dbraw/zinc/85/84/19/1059858419.db2.gz XJACBJOMFAIYQZ-UHFFFAOYSA-N 1 0 455.624 2.611 20 0 JFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001265437102 1059859989 /nfs/dbraw/zinc/85/99/89/1059859989.db2.gz VZDDAHOINOLADW-HNNXBMFYSA-N 1 0 459.344 2.601 20 0 JFADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001265498302 1059873044 /nfs/dbraw/zinc/87/30/44/1059873044.db2.gz VDAABIWKXBKHOL-CTNGQTDRSA-N 1 0 458.603 2.750 20 0 JFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc2ncc(Br)cn2n1 ZINC001265524901 1059879233 /nfs/dbraw/zinc/87/92/33/1059879233.db2.gz KCIOYGCHGACKMU-UHFFFAOYSA-N 1 0 459.348 2.895 20 0 JFADRO CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2S1(=O)=O ZINC001265829029 1059931421 /nfs/dbraw/zinc/93/14/21/1059931421.db2.gz XUIPZGWSQPCAIK-HXUWFJFHSA-N 1 0 455.580 2.976 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)C1 ZINC001299748513 1059974386 /nfs/dbraw/zinc/97/43/86/1059974386.db2.gz DJIJLAPAUIIONB-HSZRJFAPSA-N 1 0 461.632 2.840 20 0 JFADRO COc1ccc(-n2c(C)nnc2SCC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)cc1 ZINC001279601491 1059985769 /nfs/dbraw/zinc/98/57/69/1059985769.db2.gz MNXFIKZHJBVCSX-LJQANCHMSA-N 1 0 459.616 2.778 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2-n2cncn2)cc1 ZINC001279640999 1059987541 /nfs/dbraw/zinc/98/75/41/1059987541.db2.gz PFJOCDQWINSPSZ-UHFFFAOYSA-N 1 0 457.332 2.574 20 0 JFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192486 1060000998 /nfs/dbraw/zinc/00/09/98/1060000998.db2.gz BABVGJBPKDDZFA-IAGOWNOFSA-N 1 0 454.017 2.945 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286840342 1061099962 /nfs/dbraw/zinc/09/99/62/1061099962.db2.gz CZZPNFIIYZKQGV-UHFFFAOYSA-N 1 0 477.613 2.776 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286843282 1061121079 /nfs/dbraw/zinc/12/10/79/1061121079.db2.gz MOJKANDBFLOJQO-NRFANRHFSA-N 1 0 495.672 2.758 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001286843503 1061122945 /nfs/dbraw/zinc/12/29/45/1061122945.db2.gz VNCNMCATNVRPKP-UHFFFAOYSA-N 1 0 487.693 2.606 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001286843637 1061123838 /nfs/dbraw/zinc/12/38/38/1061123838.db2.gz AMPHAFXJJFDAPK-SFHVURJKSA-N 1 0 458.582 2.928 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286844275 1061130857 /nfs/dbraw/zinc/13/08/57/1061130857.db2.gz DTZBFNVVTXZHAA-MJGOQNOKSA-N 1 0 450.591 2.590 20 0 JFADRO 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467.643 2.933 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001286849737 1061174258 /nfs/dbraw/zinc/17/42/58/1061174258.db2.gz XVZFJYJTJWNVMU-NRFANRHFSA-N 1 0 464.618 2.776 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001286854841 1061205776 /nfs/dbraw/zinc/20/57/76/1061205776.db2.gz SWERVMVQEJWDOA-NRFANRHFSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC001289577011 1061222882 /nfs/dbraw/zinc/22/28/82/1061222882.db2.gz MKGGJKFPDNEEOJ-UHFFFAOYSA-N 1 0 490.605 2.636 20 0 JFADRO CC(=O)N1CCC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001286860150 1061226296 /nfs/dbraw/zinc/22/62/96/1061226296.db2.gz MCEOJAGQIORKLW-JOCHJYFZSA-N 1 0 453.635 2.833 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)o1 ZINC001289585291 1061228649 /nfs/dbraw/zinc/22/86/49/1061228649.db2.gz LVQDYKCCLWJYMH-ICSRJNTNSA-N 1 0 478.663 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CC(=O)NC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001286916105 1061497445 /nfs/dbraw/zinc/49/74/45/1061497445.db2.gz FQDZVGQDNIKQNS-SANMLTNESA-N 1 0 484.645 2.534 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCOCC[NH+](C)C)cc1 ZINC001289826850 1061502571 /nfs/dbraw/zinc/50/25/71/1061502571.db2.gz BEPATODEDDXVMF-GOSISDBHSA-N 1 0 457.497 2.511 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCO[C@@H](C(C)C)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001289827764 1061503516 /nfs/dbraw/zinc/50/35/16/1061503516.db2.gz KMZBATBUKZREDD-HSZRJFAPSA-N 1 0 457.619 2.874 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286918796 1061507392 /nfs/dbraw/zinc/50/73/92/1061507392.db2.gz KTGXIKJOEVTHBN-OYRHEFFESA-N 1 0 468.646 2.782 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCOC[C@@H]3C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001289832443 1061508238 /nfs/dbraw/zinc/50/82/38/1061508238.db2.gz WOVZGSMXLVDPRI-NRFANRHFSA-N 1 0 456.635 2.725 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286919784 1061511158 /nfs/dbraw/zinc/51/11/58/1061511158.db2.gz WGKCMYITPICFEI-KBMIEXCESA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286919792 1061511770 /nfs/dbraw/zinc/51/17/70/1061511770.db2.gz WKDZNUQCYOXOLJ-JOCHJYFZSA-N 1 0 466.634 2.598 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCOc1ccc(C)cc1 ZINC001289840600 1061515326 /nfs/dbraw/zinc/51/53/26/1061515326.db2.gz FOAGRDVWVOCMEV-DEOSSOPVSA-N 1 0 456.635 2.595 20 0 JFADRO Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001289842584 1061517843 /nfs/dbraw/zinc/51/78/43/1061517843.db2.gz SMOXSLVZMOEOLT-SFTDATJTSA-N 1 0 490.674 2.730 20 0 JFADRO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001289846494 1061520330 /nfs/dbraw/zinc/52/03/30/1061520330.db2.gz MXWXBQPKKBXQRS-QHCPKHFHSA-N 1 0 467.618 2.859 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001286923659 1061527123 /nfs/dbraw/zinc/52/71/23/1061527123.db2.gz PGPLGAZPGGUPAC-OAQYLSRUSA-N 1 0 465.577 2.964 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001289855064 1061527247 /nfs/dbraw/zinc/52/72/47/1061527247.db2.gz UPHVWKJLUYZVEN-HXUWFJFHSA-N 1 0 462.664 2.857 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924318 1061530020 /nfs/dbraw/zinc/53/00/20/1061530020.db2.gz XVRFCLTUVFOYRI-ISKFKSNPSA-N 1 0 468.646 2.963 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286924888 1061532497 /nfs/dbraw/zinc/53/24/97/1061532497.db2.gz AODYQHGBIGHGQM-QFIPXVFZSA-N 1 0 480.661 2.988 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286926046 1061537689 /nfs/dbraw/zinc/53/76/89/1061537689.db2.gz HWMNVAXGBKFQSB-MXNKGDRCSA-N 1 0 476.666 2.760 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001289861976 1061543975 /nfs/dbraw/zinc/54/39/75/1061543975.db2.gz AJBUOVRFPLBDDC-MBSDFSHPSA-N 1 0 474.700 2.983 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001286928369 1061548173 /nfs/dbraw/zinc/54/81/73/1061548173.db2.gz KLPSLALQLNHRTD-NZQKXSOJSA-N 1 0 453.635 2.881 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286928534 1061548896 /nfs/dbraw/zinc/54/88/96/1061548896.db2.gz PWWOZMKAHUAFCJ-NFBKMPQASA-N 1 0 470.618 2.873 20 0 JFADRO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868207 1061549947 /nfs/dbraw/zinc/54/99/47/1061549947.db2.gz PKJROHKNWHXQIZ-VQTJNVASSA-N 1 0 493.699 2.613 20 0 JFADRO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868205 1061550171 /nfs/dbraw/zinc/55/01/71/1061550171.db2.gz PKJROHKNWHXQIZ-UXHICEINSA-N 1 0 493.699 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286929660 1061551827 /nfs/dbraw/zinc/55/18/27/1061551827.db2.gz QAZUNEQPWLHHRI-GGAORHGYSA-N 1 0 468.646 2.984 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001286930680 1061555917 /nfs/dbraw/zinc/55/59/17/1061555917.db2.gz SUGXNPZKVUWXJD-GGAORHGYSA-N 1 0 470.666 2.613 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286932229 1061560847 /nfs/dbraw/zinc/56/08/47/1061560847.db2.gz PBHFEQYNEUAJQW-NVQXNPDNSA-N 1 0 490.693 2.792 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286933315 1061564975 /nfs/dbraw/zinc/56/49/75/1061564975.db2.gz BUEXXQOFPHJUJE-GOSISDBHSA-N 1 0 494.644 2.539 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286933721 1061566542 /nfs/dbraw/zinc/56/65/42/1061566542.db2.gz MEGQGGMRCBOEBG-IBGZPJMESA-N 1 0 462.602 2.608 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001286933890 1061567056 /nfs/dbraw/zinc/56/70/56/1061567056.db2.gz BPFAIKIMEFEQGC-HXUWFJFHSA-N 1 0 454.619 2.736 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294097185 1061575754 /nfs/dbraw/zinc/57/57/54/1061575754.db2.gz YHOILGXHYSUFMV-OFNKIYASSA-N 1 0 463.648 2.673 20 0 JFADRO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2F)CC[N@@H+]1CCOC ZINC001294097706 1061577034 /nfs/dbraw/zinc/57/70/34/1061577034.db2.gz OPHDSKJDKLDVLV-FQEVSTJZSA-N 1 0 458.582 2.525 20 0 JFADRO CN(C(=O)OC(C)(C)C)[C@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1cnn(C)c1 ZINC001294100993 1061581580 /nfs/dbraw/zinc/58/15/80/1061581580.db2.gz MKGZIUBHCMJBGP-NRFANRHFSA-N 1 0 457.575 2.924 20 0 JFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)CC1 ZINC001294101043 1061581720 /nfs/dbraw/zinc/58/17/20/1061581720.db2.gz OQVPLNRBKOOLPO-UHFFFAOYSA-N 1 0 453.465 2.505 20 0 JFADRO Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001289901111 1061586496 /nfs/dbraw/zinc/58/64/96/1061586496.db2.gz CAOOTPVXCKSDFF-QHCPKHFHSA-N 1 0 497.688 2.717 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001286941805 1061591796 /nfs/dbraw/zinc/59/17/96/1061591796.db2.gz DKZFZALQGYODOV-XZOQPEGZSA-N 1 0 476.666 2.619 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCCCC2)CCO1 ZINC001286941952 1061592397 /nfs/dbraw/zinc/59/23/97/1061592397.db2.gz MLDCXRFINKKBPM-OAQYLSRUSA-N 1 0 454.619 2.859 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)Cc2ccccc2)n1 ZINC001289909188 1061597963 /nfs/dbraw/zinc/59/79/63/1061597963.db2.gz IGNBVSFZOHQBMN-NRFANRHFSA-N 1 0 468.627 2.794 20 0 JFADRO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294117351 1061599411 /nfs/dbraw/zinc/59/94/11/1061599411.db2.gz WOJVKSQAILLYCX-SIKLNZKXSA-N 1 0 475.682 2.766 20 0 JFADRO Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001294120662 1061600323 /nfs/dbraw/zinc/60/03/23/1061600323.db2.gz AERYOFZTDPJSGM-UHFFFAOYSA-N 1 0 452.580 2.812 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286943597 1061604076 /nfs/dbraw/zinc/60/40/76/1061604076.db2.gz VAAGDCLWXXHHHJ-WSTZPKSXSA-N 1 0 458.582 2.546 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001286943969 1061606274 /nfs/dbraw/zinc/60/62/74/1061606274.db2.gz DCVSNISCDJSLKN-URXFXBBRSA-N 1 0 468.646 2.783 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001286943852 1061606290 /nfs/dbraw/zinc/60/62/90/1061606290.db2.gz DMRIUQTVXIMIDP-HSZRJFAPSA-N 1 0 498.672 2.937 20 0 JFADRO CC(=O)NCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286944976 1061618060 /nfs/dbraw/zinc/61/80/60/1061618060.db2.gz FSZRPBIPTGJMMQ-SFHVURJKSA-N 1 0 491.036 2.899 20 0 JFADRO CC(=O)NCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286944975 1061618090 /nfs/dbraw/zinc/61/80/90/1061618090.db2.gz FSZRPBIPTGJMMQ-GOSISDBHSA-N 1 0 491.036 2.899 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289930973 1061620654 /nfs/dbraw/zinc/62/06/54/1061620654.db2.gz FLEIZTYTDZOSIY-BGYRXZFFSA-N 1 0 452.607 2.869 20 0 JFADRO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001294137343 1061621904 /nfs/dbraw/zinc/62/19/04/1061621904.db2.gz LYQHQDSKDSIXLC-UNMCSNQZSA-N 1 0 490.674 2.512 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001286945971 1061630144 /nfs/dbraw/zinc/63/01/44/1061630144.db2.gz OBIROICGTZYUET-XMMPIXPASA-N 1 0 468.646 2.671 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001286946558 1061636206 /nfs/dbraw/zinc/63/62/06/1061636206.db2.gz QPMYDYSEQBCTEZ-HSZRJFAPSA-N 1 0 468.646 2.669 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946769 1061638797 /nfs/dbraw/zinc/63/87/97/1061638797.db2.gz KJJWZBVRCRKEII-UYAOXDASSA-N 1 0 490.599 2.610 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286946907 1061640013 /nfs/dbraw/zinc/64/00/13/1061640013.db2.gz RPNJSRDQBUIGDH-XZOQPEGZSA-N 1 0 460.667 2.863 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289950539 1061643666 /nfs/dbraw/zinc/64/36/66/1061643666.db2.gz GYPUZUYUODCYPC-YADHBBJMSA-N 1 0 455.651 2.783 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)CS(=O)(=O)c3cccc(Br)c3)cc2)CC1 ZINC001289958568 1061658590 /nfs/dbraw/zinc/65/85/90/1061658590.db2.gz YBQYGQLDHCCIHY-UHFFFAOYSA-N 1 0 452.374 2.613 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948578 1061661747 /nfs/dbraw/zinc/66/17/47/1061661747.db2.gz SUECKZZGWZLOFV-QHCPKHFHSA-N 1 0 468.646 2.641 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001289959504 1061664237 /nfs/dbraw/zinc/66/42/37/1061664237.db2.gz JOJCJFKAMGVKRK-UHFFFAOYSA-N 1 0 469.634 2.774 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001294171860 1061671797 /nfs/dbraw/zinc/67/17/97/1061671797.db2.gz BZSFLIYXQHPSGE-UHFFFAOYSA-N 1 0 458.655 2.741 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001294173817 1061680814 /nfs/dbraw/zinc/68/08/14/1061680814.db2.gz LDMWBCYFJYDSHR-JOCHJYFZSA-N 1 0 487.693 2.826 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001289973604 1061685368 /nfs/dbraw/zinc/68/53/68/1061685368.db2.gz ITVXQBKPWVMWHX-KNQAVFIVSA-N 1 0 453.635 2.977 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCCC2)CC1 ZINC001294175864 1061687867 /nfs/dbraw/zinc/68/78/67/1061687867.db2.gz GKIFKPFSAATYEM-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC001289982962 1061705452 /nfs/dbraw/zinc/70/54/52/1061705452.db2.gz IJLHHUGIZUTVKS-IBGZPJMESA-N 1 0 481.567 2.834 20 0 JFADRO C[C@@H]1C[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@@H+]1C ZINC001294202032 1061708165 /nfs/dbraw/zinc/70/81/65/1061708165.db2.gz PQVTWTYKWPDQML-APWZRJJASA-N 1 0 459.568 2.861 20 0 JFADRO CC(=O)NCCCn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001286955291 1061708808 /nfs/dbraw/zinc/70/88/08/1061708808.db2.gz VIXVUCCOIJNSFL-UHFFFAOYSA-N 1 0 491.434 2.678 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)C[NH+](C)C)CC2)no1 ZINC001289985405 1061709744 /nfs/dbraw/zinc/70/97/44/1061709744.db2.gz KQNVENYOHWXINU-UHFFFAOYSA-N 1 0 452.607 2.855 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)CC1 ZINC001294205532 1061710329 /nfs/dbraw/zinc/71/03/29/1061710329.db2.gz CWGGRLZBKJXUGG-UHFFFAOYSA-N 1 0 458.655 2.763 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294205966 1061710379 /nfs/dbraw/zinc/71/03/79/1061710379.db2.gz JFJUCOBZAAATCG-UHFFFAOYSA-N 1 0 487.693 2.721 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001294206973 1061711036 /nfs/dbraw/zinc/71/10/36/1061711036.db2.gz VEXIQIALOFPRNB-UHFFFAOYSA-N 1 0 491.681 2.987 20 0 JFADRO CC(=O)NCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286955924 1061711836 /nfs/dbraw/zinc/71/18/36/1061711836.db2.gz UVWQHBFESXZKCL-UHFFFAOYSA-N 1 0 497.688 2.687 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001294209617 1061712657 /nfs/dbraw/zinc/71/26/57/1061712657.db2.gz WWWLSZNSHLUODA-UHFFFAOYSA-N 1 0 458.655 2.932 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289987975 1061713018 /nfs/dbraw/zinc/71/30/18/1061713018.db2.gz FNLHSRJVCKSIRM-MOPGFXCFSA-N 1 0 468.524 2.773 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001294209798 1061713264 /nfs/dbraw/zinc/71/32/64/1061713264.db2.gz AIBUPVQRYJRYNB-QGZVFWFLSA-N 1 0 460.545 2.756 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001289991513 1061715616 /nfs/dbraw/zinc/71/56/16/1061715616.db2.gz FYJRWXVGENDUAO-HSZRJFAPSA-N 1 0 485.677 2.552 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001289991516 1061717031 /nfs/dbraw/zinc/71/70/31/1061717031.db2.gz FYJRWXVGENDUAO-QHCPKHFHSA-N 1 0 485.677 2.552 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001294212169 1061717872 /nfs/dbraw/zinc/71/78/72/1061717872.db2.gz ZNQRGDUFCGHDOQ-UHFFFAOYSA-N 1 0 473.666 2.617 20 0 JFADRO Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001289997492 1061720939 /nfs/dbraw/zinc/72/09/39/1061720939.db2.gz FVVOTPNCNLRBLL-VXKWHMMOSA-N 1 0 454.619 2.913 20 0 JFADRO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)c1 ZINC001290000640 1061724435 /nfs/dbraw/zinc/72/44/35/1061724435.db2.gz GDCCJYRKEHUVHK-XZOQPEGZSA-N 1 0 495.672 2.661 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001294217109 1061727288 /nfs/dbraw/zinc/72/72/88/1061727288.db2.gz ARZIXEWBISCYGF-OAQYLSRUSA-N 1 0 460.648 2.681 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294217346 1061728040 /nfs/dbraw/zinc/72/80/40/1061728040.db2.gz RRNPOMCAVZDAGA-UHFFFAOYSA-N 1 0 499.081 2.811 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294217397 1061728130 /nfs/dbraw/zinc/72/81/30/1061728130.db2.gz GTCLOMCUVSQLOJ-QUCCMNQESA-N 1 0 459.547 2.808 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294218799 1061729907 /nfs/dbraw/zinc/72/99/07/1061729907.db2.gz FTONPPCTLUOZBL-LJQANCHMSA-N 1 0 451.575 2.862 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294219065 1061730460 /nfs/dbraw/zinc/73/04/60/1061730460.db2.gz VXLSWGSSSHYVBI-LEWJYISDSA-N 1 0 470.618 2.942 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001294219591 1061730993 /nfs/dbraw/zinc/73/09/93/1061730993.db2.gz JWIIPFKCNDBUDN-SFHVURJKSA-N 1 0 453.595 2.647 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294221434 1061732048 /nfs/dbraw/zinc/73/20/48/1061732048.db2.gz SRUMCCSHRPPQBY-IBGZPJMESA-N 1 0 450.591 2.564 20 0 JFADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294226565 1061739518 /nfs/dbraw/zinc/73/95/18/1061739518.db2.gz WLDYSEUAMSJYBM-LJQANCHMSA-N 1 0 491.681 2.791 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001294227132 1061741352 /nfs/dbraw/zinc/74/13/52/1061741352.db2.gz ATHBPKYSESIIEI-NQIIRXRSSA-N 1 0 461.680 2.523 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001294227133 1061741460 /nfs/dbraw/zinc/74/14/60/1061741460.db2.gz ATHBPKYSESIIEI-RXVVDRJESA-N 1 0 461.680 2.523 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001294228009 1061742225 /nfs/dbraw/zinc/74/22/25/1061742225.db2.gz KDXGBXPUWCBANM-QHCPKHFHSA-N 1 0 472.663 2.851 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294228999 1061744711 /nfs/dbraw/zinc/74/47/11/1061744711.db2.gz KVBBIMJSRUOZPX-IBGZPJMESA-N 1 0 477.654 2.578 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294228982 1061744843 /nfs/dbraw/zinc/74/48/43/1061744843.db2.gz KCQGIQKLXOGHNR-XMMPIXPASA-N 1 0 497.706 2.600 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001294229000 1061745012 /nfs/dbraw/zinc/74/50/12/1061745012.db2.gz KVBBIMJSRUOZPX-LJQANCHMSA-N 1 0 477.654 2.578 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccnn2C)CC1 ZINC001294230416 1061747958 /nfs/dbraw/zinc/74/79/58/1061747958.db2.gz VZBHGEJQQKZVPL-UHFFFAOYSA-N 1 0 453.639 2.989 20 0 JFADRO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286971336 1061748937 /nfs/dbraw/zinc/74/89/37/1061748937.db2.gz HYGFCHNQCRZXAQ-UGKGYDQZSA-N 1 0 473.710 2.875 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCCCCO)CC2)c1 ZINC001290033141 1061749268 /nfs/dbraw/zinc/74/92/68/1061749268.db2.gz BJZGFLWBUYFILB-UHFFFAOYSA-N 1 0 463.586 2.719 20 0 JFADRO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001290034572 1061750371 /nfs/dbraw/zinc/75/03/71/1061750371.db2.gz UEDZAOVMMDIDIK-LJQANCHMSA-N 1 0 486.642 2.777 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[C@H](O)C3)CC2)c1 ZINC001290034434 1061750527 /nfs/dbraw/zinc/75/05/27/1061750527.db2.gz SIMTVNDNCFVMEO-YADHBBJMSA-N 1 0 454.619 2.598 20 0 JFADRO CCCCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001294242129 1061751863 /nfs/dbraw/zinc/75/18/63/1061751863.db2.gz CSOXFOMAVLXDMT-VWLOTQADSA-N 1 0 467.618 2.758 20 0 JFADRO C[C@@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001286972322 1061753031 /nfs/dbraw/zinc/75/30/31/1061753031.db2.gz QRCDGZGVVUQKGZ-NRFANRHFSA-N 1 0 473.710 2.973 20 0 JFADRO Cc1cccc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)CC2)c1C ZINC001290037339 1061753799 /nfs/dbraw/zinc/75/37/99/1061753799.db2.gz LCDUQCNOQIRNJK-OAQYLSRUSA-N 1 0 491.706 2.562 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001290041539 1061757183 /nfs/dbraw/zinc/75/71/83/1061757183.db2.gz GLPLLPJORGHAJP-IBGZPJMESA-N 1 0 453.635 2.696 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286973168 1061759074 /nfs/dbraw/zinc/75/90/74/1061759074.db2.gz ZYQDFZXGTHTRKD-JOCHJYFZSA-N 1 0 484.693 2.915 20 0 JFADRO CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001294255524 1061760071 /nfs/dbraw/zinc/76/00/71/1061760071.db2.gz KIWKVFBTIXXTTN-BGYRXZFFSA-N 1 0 454.623 2.720 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001290045915 1061763263 /nfs/dbraw/zinc/76/32/63/1061763263.db2.gz AFRVHCIYMZHTAE-IRLDBZIGSA-N 1 0 475.659 2.909 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001290045919 1061764099 /nfs/dbraw/zinc/76/40/99/1061764099.db2.gz AFRVHCIYMZHTAE-UNMCSNQZSA-N 1 0 475.659 2.909 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001286974260 1061767584 /nfs/dbraw/zinc/76/75/84/1061767584.db2.gz CNBPTQDKTZSQGN-IRXDYDNUSA-N 1 0 499.628 2.516 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290053095 1061770842 /nfs/dbraw/zinc/77/08/42/1061770842.db2.gz VRAWHPJINPFCRA-GMAHTHKFSA-N 1 0 457.619 2.995 20 0 JFADRO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)[NH+](C)C ZINC001290057771 1061776581 /nfs/dbraw/zinc/77/65/81/1061776581.db2.gz FFVSFLXCOLYJTR-MRXNPFEDSA-N 1 0 455.930 2.778 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286976412 1061783128 /nfs/dbraw/zinc/78/31/28/1061783128.db2.gz ONVYZUMMXDRMKK-HBFSDRIKSA-N 1 0 462.664 2.642 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286976414 1061783988 /nfs/dbraw/zinc/78/39/88/1061783988.db2.gz ONVYZUMMXDRMKK-QWFCFKBJSA-N 1 0 462.664 2.642 20 0 JFADRO CCCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH+](CC)CC)CC2)c(C)n1 ZINC001294300073 1061788394 /nfs/dbraw/zinc/78/83/94/1061788394.db2.gz VFNOCNYVTMIQOI-HXUWFJFHSA-N 1 0 491.706 2.844 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001290066647 1061790995 /nfs/dbraw/zinc/79/09/95/1061790995.db2.gz OHRHPXSVJBHDCB-KNQAVFIVSA-N 1 0 483.535 2.780 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001294306293 1061794265 /nfs/dbraw/zinc/79/42/65/1061794265.db2.gz HXWMYYCBAQQPNH-JOCHJYFZSA-N 1 0 487.693 2.863 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)c1 ZINC001290069635 1061794849 /nfs/dbraw/zinc/79/48/49/1061794849.db2.gz OOGZUNKXSMUVLA-UHFFFAOYSA-N 1 0 463.586 2.628 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCCC1 ZINC001286978149 1061795841 /nfs/dbraw/zinc/79/58/41/1061795841.db2.gz UYOHZEDAQKYJSA-IRXDYDNUSA-N 1 0 469.602 2.891 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294308780 1061797140 /nfs/dbraw/zinc/79/71/40/1061797140.db2.gz VAAOUBVHZSSUSV-MSOLQXFVSA-N 1 0 472.556 2.936 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294309171 1061798666 /nfs/dbraw/zinc/79/86/66/1061798666.db2.gz ZXXMNDOADQDIEV-UYAOXDASSA-N 1 0 461.655 2.518 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CC[NH+]2CCCC2)c1 ZINC001290072451 1061800496 /nfs/dbraw/zinc/80/04/96/1061800496.db2.gz AEOCBEJXYJBKAA-OAQYLSRUSA-N 1 0 454.619 2.954 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311041 1061801634 /nfs/dbraw/zinc/80/16/34/1061801634.db2.gz JWOUXVPUZVGCRV-FQEVSTJZSA-N 1 0 452.669 2.718 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311800 1061802317 /nfs/dbraw/zinc/80/23/17/1061802317.db2.gz OSDAYWAZBVOMET-IFMALSPDSA-N 1 0 496.722 2.735 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001294312039 1061803123 /nfs/dbraw/zinc/80/31/23/1061803123.db2.gz SBSKTEPKLVZLNS-IPMKNSEASA-N 1 0 485.599 2.957 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290075510 1061804605 /nfs/dbraw/zinc/80/46/05/1061804605.db2.gz YERGWOPBAXMWBR-QFIPXVFZSA-N 1 0 492.615 2.909 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294313211 1061805330 /nfs/dbraw/zinc/80/53/30/1061805330.db2.gz BLDXXNKWNFHHET-DHIUTWEWSA-N 1 0 468.646 2.783 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001294315528 1061807524 /nfs/dbraw/zinc/80/75/24/1061807524.db2.gz KCEATAXXNZNBKU-DOIPELPJSA-N 1 0 467.680 2.839 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001290078043 1061807904 /nfs/dbraw/zinc/80/79/04/1061807904.db2.gz QDURBRXDYWKQJW-NRFANRHFSA-N 1 0 461.632 2.521 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001294315672 1061808171 /nfs/dbraw/zinc/80/81/71/1061808171.db2.gz COUPAPPLOSJJAL-BHIFYINESA-N 1 0 487.693 2.767 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294316300 1061809729 /nfs/dbraw/zinc/80/97/29/1061809729.db2.gz FGFUFSNKTSLROW-VQTJNVASSA-N 1 0 455.669 2.873 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294316298 1061809800 /nfs/dbraw/zinc/80/98/00/1061809800.db2.gz FGFUFSNKTSLROW-PMACEKPBSA-N 1 0 455.669 2.873 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 ZINC001294316328 1061810518 /nfs/dbraw/zinc/81/05/18/1061810518.db2.gz FWBFGXLTLLEKSB-FQEVSTJZSA-N 1 0 470.618 2.847 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294316301 1061810601 /nfs/dbraw/zinc/81/06/01/1061810601.db2.gz FGFUFSNKTSLROW-WOJBJXKFSA-N 1 0 455.669 2.873 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 ZINC001294318454 1061817519 /nfs/dbraw/zinc/81/75/19/1061817519.db2.gz SAPMIJVSOXYKFH-FQEVSTJZSA-N 1 0 470.618 2.799 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294318607 1061818340 /nfs/dbraw/zinc/81/83/40/1061818340.db2.gz URKOWOXRWJTDDI-FGZHOGPDSA-N 1 0 491.706 2.808 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294322031 1061825731 /nfs/dbraw/zinc/82/57/31/1061825731.db2.gz PKLOMPFNKVBPCP-PDOGEWKWSA-N 1 0 490.052 2.581 20 0 JFADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001294322684 1061826522 /nfs/dbraw/zinc/82/65/22/1061826522.db2.gz UEAJOQPTLXMEDW-DHLKQENFSA-N 1 0 481.689 2.926 20 0 JFADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290095184 1061826678 /nfs/dbraw/zinc/82/66/78/1061826678.db2.gz MBIJFMGYJCUDSK-VQTJNVASSA-N 1 0 475.659 2.797 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294325096 1061832539 /nfs/dbraw/zinc/83/25/39/1061832539.db2.gz JDHINGUNHXVERT-YPAWHYETSA-N 1 0 498.676 2.613 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CCn2cccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290106738 1061834713 /nfs/dbraw/zinc/83/47/13/1061834713.db2.gz DFJAESYVEXMVPK-QFIPXVFZSA-N 1 0 464.618 2.529 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294327485 1061842763 /nfs/dbraw/zinc/84/27/63/1061842763.db2.gz VNQYRFUFOOKAOO-MQSCRBSSSA-N 1 0 498.676 2.613 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001294328444 1061845243 /nfs/dbraw/zinc/84/52/43/1061845243.db2.gz DBFUOKZRJCUIJG-FNAHDJPLSA-N 1 0 487.693 2.871 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001294328719 1061846809 /nfs/dbraw/zinc/84/68/09/1061846809.db2.gz GKIYEDYPPAVPQL-MBDNFAEBSA-N 1 0 487.693 2.872 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290118141 1061847051 /nfs/dbraw/zinc/84/70/51/1061847051.db2.gz IWMQEZXBEWEMKN-OAQYLSRUSA-N 1 0 476.691 2.995 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294329294 1061849313 /nfs/dbraw/zinc/84/93/13/1061849313.db2.gz LGYTVBHJZCRAPT-VSKRKVRLSA-N 1 0 490.693 2.539 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290120222 1061850101 /nfs/dbraw/zinc/85/01/01/1061850101.db2.gz HYSRFPGSTYKBNJ-QUCCMNQESA-N 1 0 454.619 2.845 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001290125107 1061855829 /nfs/dbraw/zinc/85/58/29/1061855829.db2.gz XXJYEMZFKVPWKJ-NRFANRHFSA-N 1 0 474.675 2.846 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC001294332831 1061861481 /nfs/dbraw/zinc/86/14/81/1061861481.db2.gz VBKQQIFOWUMTOH-UHFFFAOYSA-N 1 0 459.566 2.941 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294332911 1061862472 /nfs/dbraw/zinc/86/24/72/1061862472.db2.gz LGRZWQSSJMFMEG-VHFRWLAGSA-N 1 0 498.672 2.753 20 0 JFADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001286987567 1061871428 /nfs/dbraw/zinc/87/14/28/1061871428.db2.gz WZFVBQAFUQLUFN-FPOVZHCZSA-N 1 0 460.667 2.771 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)[NH+](C)C)C1 ZINC001294336036 1061873790 /nfs/dbraw/zinc/87/37/90/1061873790.db2.gz HBSPONGTNYWEHG-ICSRJNTNSA-N 1 0 470.618 2.799 20 0 JFADRO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001286988674 1061877928 /nfs/dbraw/zinc/87/79/28/1061877928.db2.gz CNVXSXWGVXRIPI-BWKNWUBXSA-N 1 0 456.635 2.752 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001286988656 1061878102 /nfs/dbraw/zinc/87/81/02/1061878102.db2.gz HCGXIZLMPVRURA-UHFFFAOYSA-N 1 0 472.659 2.586 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC(N)=O)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290144596 1061879741 /nfs/dbraw/zinc/87/97/41/1061879741.db2.gz BYNVVKPHMRCSBZ-AABGKKOBSA-N 1 0 456.635 2.765 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001294341775 1061890706 /nfs/dbraw/zinc/89/07/06/1061890706.db2.gz JZVAMEUGQYSRPE-TZIWHRDSSA-N 1 0 456.639 2.686 20 0 JFADRO CC(C)(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001286991850 1061891601 /nfs/dbraw/zinc/89/16/01/1061891601.db2.gz NMVAJCBPZSPTSD-WOJBJXKFSA-N 1 0 460.667 2.891 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)C1 ZINC001294343698 1061896501 /nfs/dbraw/zinc/89/65/01/1061896501.db2.gz FHDAYNZLVUFHFR-FRIYVGAWSA-N 1 0 453.649 2.879 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(C)(C)O ZINC001290163952 1061903247 /nfs/dbraw/zinc/90/32/47/1061903247.db2.gz CSNIHMVUNRCXPR-UHFFFAOYSA-N 1 0 454.663 2.943 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001290164022 1061903479 /nfs/dbraw/zinc/90/34/79/1061903479.db2.gz GHXCWIGMAXCTAV-UHFFFAOYSA-N 1 0 488.702 2.819 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001290166829 1061910458 /nfs/dbraw/zinc/91/04/58/1061910458.db2.gz LBPRUGKSSHWTIE-VXKWHMMOSA-N 1 0 488.702 2.769 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001286998484 1061911663 /nfs/dbraw/zinc/91/16/63/1061911663.db2.gz QSPHOJUSSJWTMG-OAQYLSRUSA-N 1 0 481.707 2.729 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001294349148 1061913302 /nfs/dbraw/zinc/91/33/02/1061913302.db2.gz NBTMUBAQSYBLSJ-FGZHOGPDSA-N 1 0 453.635 2.738 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001287001214 1061916744 /nfs/dbraw/zinc/91/67/44/1061916744.db2.gz NSFCASRAAGNCRR-SFHVURJKSA-N 1 0 464.636 2.524 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290173241 1061918364 /nfs/dbraw/zinc/91/83/64/1061918364.db2.gz CXUSSAVRIFJHAK-RUZDIDTESA-N 1 0 495.716 2.898 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290174369 1061920195 /nfs/dbraw/zinc/92/01/95/1061920195.db2.gz MOKBRRYSXWMEMR-XMMPIXPASA-N 1 0 495.716 2.944 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001290175367 1061922859 /nfs/dbraw/zinc/92/28/59/1061922859.db2.gz YVFLPVMZWGUZQH-JOCHJYFZSA-N 1 0 481.689 2.556 20 0 JFADRO Cc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001290179841 1061926704 /nfs/dbraw/zinc/92/67/04/1061926704.db2.gz HCQZINCJCCVNMU-FQEVSTJZSA-N 1 0 454.619 2.657 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001290184058 1061928969 /nfs/dbraw/zinc/92/89/69/1061928969.db2.gz WPWHDPXAHVBFBP-HXUWFJFHSA-N 1 0 459.660 2.924 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001294359354 1061930932 /nfs/dbraw/zinc/93/09/32/1061930932.db2.gz OVAJCBMDGKSXLQ-HXUWFJFHSA-N 1 0 462.683 2.968 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001287007873 1061932785 /nfs/dbraw/zinc/93/27/85/1061932785.db2.gz KBGSHVBMWNLLCY-RTBURBONSA-N 1 0 466.696 2.700 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCCO[C@@H]1CCOC1 ZINC001287009749 1061939620 /nfs/dbraw/zinc/93/96/20/1061939620.db2.gz WFUGULMNMCYMMG-FGZHOGPDSA-N 1 0 457.619 2.627 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287010495 1061940704 /nfs/dbraw/zinc/94/07/04/1061940704.db2.gz KJONYGDVICNSDA-HXUWFJFHSA-N 1 0 466.696 2.559 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC001294373232 1061945443 /nfs/dbraw/zinc/94/54/43/1061945443.db2.gz ZLXLJTSMPQNOQW-DEOSSOPVSA-N 1 0 488.658 2.506 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1OC ZINC001294373233 1061945506 /nfs/dbraw/zinc/94/55/06/1061945506.db2.gz ZLXLJTSMPQNOQW-XMMPIXPASA-N 1 0 488.658 2.506 20 0 JFADRO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001290204725 1061948303 /nfs/dbraw/zinc/94/83/03/1061948303.db2.gz NNGHMNFQJCLDFP-VXKWHMMOSA-N 1 0 468.646 2.995 20 0 JFADRO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294375744 1061948885 /nfs/dbraw/zinc/94/88/85/1061948885.db2.gz BPYHCBNXBFLWEP-CVDCTZTESA-N 1 0 469.634 2.588 20 0 JFADRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCC([NH+](C)C)CC3)cc2)cc1 ZINC001294376201 1061949553 /nfs/dbraw/zinc/94/95/53/1061949553.db2.gz JUGMSLAAVFSEIJ-UHFFFAOYSA-N 1 0 458.628 2.576 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287019618 1061958407 /nfs/dbraw/zinc/95/84/07/1061958407.db2.gz AIKFRKVLIVVASH-UHFFFAOYSA-N 1 0 460.667 2.552 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001290217132 1061962132 /nfs/dbraw/zinc/96/21/32/1061962132.db2.gz FRPYZUQFTHBGQI-LJQANCHMSA-N 1 0 474.675 2.878 20 0 JFADRO COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001294407845 1061974091 /nfs/dbraw/zinc/97/40/91/1061974091.db2.gz YBNAJARXJFYMHN-HYBUGGRVSA-N 1 0 456.587 2.918 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001287028766 1061976596 /nfs/dbraw/zinc/97/65/96/1061976596.db2.gz KLRBPYOIOJGZDZ-HXUWFJFHSA-N 1 0 460.667 2.994 20 0 JFADRO C[NH+](C)CCCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)[C@H]1CCS(=O)(=O)C1 ZINC001294414267 1061979298 /nfs/dbraw/zinc/97/92/98/1061979298.db2.gz JHAHGTPZDTUCJC-AWEZNQCLSA-N 1 0 459.490 2.941 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001287030995 1061982798 /nfs/dbraw/zinc/98/27/98/1061982798.db2.gz DFDQKMRMQILLCC-UHFFFAOYSA-N 1 0 495.672 2.585 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCNC(=O)C1CCC1 ZINC001287031082 1061983479 /nfs/dbraw/zinc/98/34/79/1061983479.db2.gz WJCJGAPLYCSFMW-HXUWFJFHSA-N 1 0 460.667 2.722 20 0 JFADRO CC1=CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001290244974 1061985569 /nfs/dbraw/zinc/98/55/69/1061985569.db2.gz LBMBEZJIHYQGTO-OAQYLSRUSA-N 1 0 490.649 2.590 20 0 JFADRO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001294434576 1061988102 /nfs/dbraw/zinc/98/81/02/1061988102.db2.gz GRNJMOCNGYWJKV-SFHVURJKSA-N 1 0 463.652 2.585 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC[NH+]1CCSCC1 ZINC001287033731 1061992661 /nfs/dbraw/zinc/99/26/61/1061992661.db2.gz JXIMBZGIKYPTSQ-UHFFFAOYSA-N 1 0 460.623 2.908 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)C1 ZINC001294453914 1061999289 /nfs/dbraw/zinc/99/92/89/1061999289.db2.gz JRLYTKDHRSIBNB-GOSISDBHSA-N 1 0 452.563 2.747 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294454770 1062000560 /nfs/dbraw/zinc/00/05/60/1062000560.db2.gz RTLHPGXHUMNYDD-LJQANCHMSA-N 1 0 491.600 2.632 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 ZINC001294455069 1062001171 /nfs/dbraw/zinc/00/11/71/1062001171.db2.gz CBTUTHUNRWDPGZ-RDJZCZTQSA-N 1 0 467.412 2.619 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455081 1062001218 /nfs/dbraw/zinc/00/12/18/1062001218.db2.gz CDCYYZHIVMTZFS-BVAGGSTKSA-N 1 0 490.693 2.745 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC001290271685 1062001299 /nfs/dbraw/zinc/00/12/99/1062001299.db2.gz KTBPXURNJNVRSV-NRFANRHFSA-N 1 0 470.666 2.960 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294455088 1062001831 /nfs/dbraw/zinc/00/18/31/1062001831.db2.gz CGOYNWHCGHMEHO-LJQANCHMSA-N 1 0 462.664 2.868 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457560 1062005032 /nfs/dbraw/zinc/00/50/32/1062005032.db2.gz NZMPLLDDJCHAHX-ROUUACIJSA-N 1 0 456.570 2.902 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCOC2)CC1 ZINC001287039527 1062006532 /nfs/dbraw/zinc/00/65/32/1062006532.db2.gz IVIYGMLOUZIKIQ-IBGZPJMESA-N 1 0 475.659 2.943 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287039697 1062006577 /nfs/dbraw/zinc/00/65/77/1062006577.db2.gz MDMUGFIMYMJSTI-IBGZPJMESA-N 1 0 492.665 2.924 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCc2ccco2)CC1 ZINC001287040346 1062006839 /nfs/dbraw/zinc/00/68/39/1062006839.db2.gz ZXUYWOOXOKEQHX-UHFFFAOYSA-N 1 0 451.575 2.808 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040885 1062007922 /nfs/dbraw/zinc/00/79/22/1062007922.db2.gz AWDYBGFTKKJOAM-RBUKOAKNSA-N 1 0 488.599 2.603 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCC2(O)CCOCC2)CC1 ZINC001287042070 1062010930 /nfs/dbraw/zinc/01/09/30/1062010930.db2.gz YCIGMTSZIVZTMN-UHFFFAOYSA-N 1 0 456.635 2.754 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)C1 ZINC001294461751 1062011209 /nfs/dbraw/zinc/01/12/09/1062011209.db2.gz DAIXWENWQOOPPL-SFHVURJKSA-N 1 0 454.623 2.805 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(=O)C2CCC2)CC1 ZINC001287042425 1062012216 /nfs/dbraw/zinc/01/22/16/1062012216.db2.gz NIUGILGWDTWIIO-UHFFFAOYSA-N 1 0 482.633 2.542 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCCCO)CC1 ZINC001287042451 1062012467 /nfs/dbraw/zinc/01/24/67/1062012467.db2.gz OBPCYFOFMXKBFX-UHFFFAOYSA-N 1 0 463.648 2.822 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294463065 1062013183 /nfs/dbraw/zinc/01/31/83/1062013183.db2.gz OIBDHQFLWYFDTB-OALUTQOASA-N 1 0 461.632 2.557 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294463064 1062013453 /nfs/dbraw/zinc/01/34/53/1062013453.db2.gz OIBDHQFLWYFDTB-MOPGFXCFSA-N 1 0 461.632 2.557 20 0 JFADRO Cc1cnn(CCn2c(CC[NH+]3CCN(c4ccccc4)CC3)nnc2N(C)CC(C)C)c1 ZINC001290285640 1062013496 /nfs/dbraw/zinc/01/34/96/1062013496.db2.gz IEEGZSNRHNDEAF-UHFFFAOYSA-N 1 0 450.635 2.940 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)NCC(F)F)CC1 ZINC001287042724 1062013676 /nfs/dbraw/zinc/01/36/76/1062013676.db2.gz VMMIDOMYMYVLNI-UHFFFAOYSA-N 1 0 486.571 2.823 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001294464159 1062014184 /nfs/dbraw/zinc/01/41/84/1062014184.db2.gz VBAWOOLGNQEMSG-FQEVSTJZSA-N 1 0 468.627 2.982 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCSCCCO)CC1 ZINC001287043273 1062014812 /nfs/dbraw/zinc/01/48/12/1062014812.db2.gz WLNBPHBRERTRSF-UHFFFAOYSA-N 1 0 495.093 2.898 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCCC2=O)CC1 ZINC001287043458 1062015049 /nfs/dbraw/zinc/01/50/49/1062015049.db2.gz DLULBPSYLWESNB-UHFFFAOYSA-N 1 0 453.635 2.977 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001287043516 1062015940 /nfs/dbraw/zinc/01/59/40/1062015940.db2.gz GDFGKDYBQDTESI-ROUUACIJSA-N 1 0 460.648 2.741 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(F)cc2)C1 ZINC001294467357 1062016083 /nfs/dbraw/zinc/01/60/83/1062016083.db2.gz FPKYKGNNZUVXIF-IOMROCGXSA-N 1 0 458.582 2.924 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001287044064 1062018314 /nfs/dbraw/zinc/01/83/14/1062018314.db2.gz OJPQQAIYMGPFQJ-UHFFFAOYSA-N 1 0 461.614 2.891 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(F)(F)F)C1 ZINC001294468117 1062018437 /nfs/dbraw/zinc/01/84/37/1062018437.db2.gz KUYYVRBGWQXMEK-LSDHHAIUSA-N 1 0 469.599 2.601 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001294468801 1062019250 /nfs/dbraw/zinc/01/92/50/1062019250.db2.gz QDUHYEVAFDTLCX-UXPWSPDFSA-N 1 0 478.663 2.757 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468768 1062019397 /nfs/dbraw/zinc/01/93/97/1062019397.db2.gz PUDHIOJYRNDOBS-OALUTQOASA-N 1 0 478.688 2.514 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)c2c(C)noc2C)C1 ZINC001294468799 1062019589 /nfs/dbraw/zinc/01/95/89/1062019589.db2.gz QDUHYEVAFDTLCX-FFZOFVMBSA-N 1 0 478.663 2.757 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468980 1062019995 /nfs/dbraw/zinc/01/99/95/1062019995.db2.gz SHCHATGCRKOMKC-IRLDBZIGSA-N 1 0 454.619 2.748 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 ZINC001294469409 1062021903 /nfs/dbraw/zinc/02/19/03/1062021903.db2.gz YSSAAYYLSWZIIF-DFIYOIEZSA-N 1 0 494.681 2.916 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294469722 1062023011 /nfs/dbraw/zinc/02/30/11/1062023011.db2.gz GBSQKETZZDJDKV-OALUTQOASA-N 1 0 479.622 2.599 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294469724 1062023228 /nfs/dbraw/zinc/02/32/28/1062023228.db2.gz GBSQKETZZDJDKV-RTBURBONSA-N 1 0 479.622 2.599 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H]2COCCO2)C1 ZINC001294469923 1062023412 /nfs/dbraw/zinc/02/34/12/1062023412.db2.gz ILMJTXDHHYYRIZ-HKBOAZHASA-N 1 0 492.665 2.934 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCOCC2)C1 ZINC001294470646 1062024969 /nfs/dbraw/zinc/02/49/69/1062024969.db2.gz DGLPQXIMHOQMKE-LJQANCHMSA-N 1 0 462.664 2.734 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001287045789 1062025428 /nfs/dbraw/zinc/02/54/28/1062025428.db2.gz NVSROGOYPXMNMN-UHFFFAOYSA-N 1 0 462.664 2.788 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294474227 1062026543 /nfs/dbraw/zinc/02/65/43/1062026543.db2.gz PCKNOWZBJYDNIT-IFMALSPDSA-N 1 0 492.665 2.600 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294474160 1062026805 /nfs/dbraw/zinc/02/68/05/1062026805.db2.gz NLKRJIBAEHIHRJ-ZWKOTPCHSA-N 1 0 481.613 2.750 20 0 JFADRO Cc1cnc([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC001290297702 1062027187 /nfs/dbraw/zinc/02/71/87/1062027187.db2.gz XGRMPGZLMUFLCF-KBAYOESNSA-N 1 0 481.692 2.522 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046481 1062027537 /nfs/dbraw/zinc/02/75/37/1062027537.db2.gz RQBKKKQRHXPWGW-FQEVSTJZSA-N 1 0 495.594 2.838 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046535 1062029044 /nfs/dbraw/zinc/02/90/44/1062029044.db2.gz STHDZWWJUGEZJU-QZTJIDSGSA-N 1 0 474.572 2.703 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)CC1 ZINC001287046597 1062029653 /nfs/dbraw/zinc/02/96/53/1062029653.db2.gz VJCJVQVBUREQSG-KRWDZBQOSA-N 1 0 452.694 2.560 20 0 JFADRO Cc1cnc(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)CC2)s1 ZINC001290301176 1062030115 /nfs/dbraw/zinc/03/01/15/1062030115.db2.gz NIVBHIUHPFVJTD-QGZVFWFLSA-N 1 0 483.708 2.768 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001287046845 1062030507 /nfs/dbraw/zinc/03/05/07/1062030507.db2.gz WKUXPRXEYGSYTJ-NRFANRHFSA-N 1 0 490.674 2.809 20 0 JFADRO CCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001294489286 1062032791 /nfs/dbraw/zinc/03/27/91/1062032791.db2.gz PQPKLKFAYBVYAE-IBGZPJMESA-N 1 0 477.679 2.831 20 0 JFADRO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC001290306342 1062033550 /nfs/dbraw/zinc/03/35/50/1062033550.db2.gz OTQCPDPHUTVRIP-SFTDATJTSA-N 1 0 452.555 2.743 20 0 JFADRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001290310935 1062036353 /nfs/dbraw/zinc/03/63/53/1062036353.db2.gz NVIQWFVZRWZBEF-UHFFFAOYSA-N 1 0 455.502 2.528 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC001294505198 1062040147 /nfs/dbraw/zinc/04/01/47/1062040147.db2.gz IITYATBBGOFOMB-FQEVSTJZSA-N 1 0 462.561 2.678 20 0 JFADRO Cc1csc([C@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@H+](C)C3CCCC3)C2)n1 ZINC001290318981 1062043599 /nfs/dbraw/zinc/04/35/99/1062043599.db2.gz PQEFELHNMUXBOR-ROUUACIJSA-N 1 0 495.719 2.912 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294506744 1062044666 /nfs/dbraw/zinc/04/46/66/1062044666.db2.gz VHUKZWPDCPSAGD-UHFFFAOYSA-N 1 0 469.512 2.551 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294508170 1062046147 /nfs/dbraw/zinc/04/61/47/1062046147.db2.gz ZICDMLVNTAYMDV-UHFFFAOYSA-N 1 0 469.055 2.848 20 0 JFADRO COc1cc(C(=O)NCC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC001294508809 1062046723 /nfs/dbraw/zinc/04/67/23/1062046723.db2.gz AEVNTBMSMYLLFB-HXUWFJFHSA-N 1 0 455.555 2.565 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294514257 1062049242 /nfs/dbraw/zinc/04/92/42/1062049242.db2.gz PQVNTXUDRVMASX-QHCPKHFHSA-N 1 0 461.632 2.701 20 0 JFADRO Cc1csc([C@@H]2CN(c3nnc(CN4CCCC4=O)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)n1 ZINC001290323617 1062049329 /nfs/dbraw/zinc/04/93/29/1062049329.db2.gz VGBWQZRRHYCIGG-MOPGFXCFSA-N 1 0 475.663 2.720 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294514766 1062049637 /nfs/dbraw/zinc/04/96/37/1062049637.db2.gz CBGINJXCXSUGBC-UHFFFAOYSA-N 1 0 450.591 2.531 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001294514738 1062049958 /nfs/dbraw/zinc/04/99/58/1062049958.db2.gz BQIVTWZYIJNLJO-QFIPXVFZSA-N 1 0 481.645 2.702 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC001294514818 1062050372 /nfs/dbraw/zinc/05/03/72/1062050372.db2.gz CNGHVYUGYGHUSR-OAQYLSRUSA-N 1 0 473.666 2.626 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294515461 1062051572 /nfs/dbraw/zinc/05/15/72/1062051572.db2.gz GURIFXZYYIQZJX-IBGZPJMESA-N 1 0 494.644 2.635 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001294515868 1062052936 /nfs/dbraw/zinc/05/29/36/1062052936.db2.gz KHLJPJBDLUIDGU-OAQYLSRUSA-N 1 0 473.666 2.580 20 0 JFADRO Cc1csc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290335780 1062055046 /nfs/dbraw/zinc/05/50/46/1062055046.db2.gz BVLDIUNAYARIFY-AEFFLSMTSA-N 1 0 451.662 2.918 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294519381 1062056131 /nfs/dbraw/zinc/05/61/31/1062056131.db2.gz DJUOIJQJGXCKOU-JOCHJYFZSA-N 1 0 488.702 2.856 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2(O)CC2)C1 ZINC001287052771 1062056981 /nfs/dbraw/zinc/05/69/81/1062056981.db2.gz JRHNMGATBLQSRJ-SFHVURJKSA-N 1 0 462.639 2.838 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001294522880 1062058593 /nfs/dbraw/zinc/05/85/93/1062058593.db2.gz WGHLZCLUXWSZRR-DXIQSLLYSA-N 1 0 459.591 2.763 20 0 JFADRO CCC[N@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@H]1CC ZINC001294523362 1062060189 /nfs/dbraw/zinc/06/01/89/1062060189.db2.gz YKICXLUPXBYUFE-HXUWFJFHSA-N 1 0 491.681 2.839 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294523790 1062060950 /nfs/dbraw/zinc/06/09/50/1062060950.db2.gz YENIMLMLFKAUHK-UHFFFAOYSA-N 1 0 463.577 2.731 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294524801 1062061481 /nfs/dbraw/zinc/06/14/81/1062061481.db2.gz RCTWGEZIBZWQJV-ZJSXRUAMSA-N 1 0 467.662 2.666 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001294528089 1062065060 /nfs/dbraw/zinc/06/50/60/1062065060.db2.gz RZFCNJVAMDYSAB-UHFFFAOYSA-N 1 0 471.679 2.963 20 0 JFADRO CCC[N@H+](CC)CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294528843 1062065680 /nfs/dbraw/zinc/06/56/80/1062065680.db2.gz GPQDSVCOOAWIHQ-OAQYLSRUSA-N 1 0 455.651 2.656 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294529953 1062066278 /nfs/dbraw/zinc/06/62/78/1062066278.db2.gz SNPYOCDWBJJQQV-QGZVFWFLSA-N 1 0 460.545 2.756 20 0 JFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372391 1062076474 /nfs/dbraw/zinc/07/64/74/1062076474.db2.gz MHEPTDZWSXKZBE-IRXDYDNUSA-N 1 0 454.017 2.945 20 0 JFADRO CCOC(Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1N)OCC ZINC001294554965 1062077344 /nfs/dbraw/zinc/07/73/44/1062077344.db2.gz SSFWCSSKRJBZFM-UNMCSNQZSA-N 1 0 455.603 2.991 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001287056755 1062078101 /nfs/dbraw/zinc/07/81/01/1062078101.db2.gz HCAJGQMNYAGWAI-NHCUHLMSSA-N 1 0 492.665 2.778 20 0 JFADRO CCC[NH+](CCC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 ZINC001294570151 1062083418 /nfs/dbraw/zinc/08/34/18/1062083418.db2.gz IJIFNDBJUSTROV-UHFFFAOYSA-N 1 0 480.455 2.885 20 0 JFADRO CCC[NH+](CCC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 ZINC001294571880 1062085073 /nfs/dbraw/zinc/08/50/73/1062085073.db2.gz FVVMBTNKHWBSAH-HXUWFJFHSA-N 1 0 480.654 2.935 20 0 JFADRO Cc1nc([C@@H]2CN(c3nnc(-c4cccc(Br)c4)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001290383761 1062086389 /nfs/dbraw/zinc/08/63/89/1062086389.db2.gz RJXDBHXQBRUMAC-GUYCJALGSA-N 1 0 476.379 2.927 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)cs1 ZINC001290385406 1062089401 /nfs/dbraw/zinc/08/94/01/1062089401.db2.gz JNXGHUNTECUPAO-FQEVSTJZSA-N 1 0 480.704 2.913 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)cs1 ZINC001290385407 1062089502 /nfs/dbraw/zinc/08/95/02/1062089502.db2.gz JNXGHUNTECUPAO-HXUWFJFHSA-N 1 0 480.704 2.913 20 0 JFADRO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(C2CC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287060461 1062093384 /nfs/dbraw/zinc/09/33/84/1062093384.db2.gz ISHXLQCGYPKRPG-KRWDZBQOSA-N 1 0 484.592 2.864 20 0 JFADRO Cc1nc(Cc2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001290393204 1062095940 /nfs/dbraw/zinc/09/59/40/1062095940.db2.gz XEXOBERIASWJHJ-MRXNPFEDSA-N 1 0 453.616 2.853 20 0 JFADRO CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001294588784 1062101167 /nfs/dbraw/zinc/10/11/67/1062101167.db2.gz JODIGQBLNAHQOU-KRWDZBQOSA-N 1 0 461.010 2.961 20 0 JFADRO Cc1nc(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290400627 1062103155 /nfs/dbraw/zinc/10/31/55/1062103155.db2.gz HOROQZXBGNYVNC-UHFFFAOYSA-N 1 0 463.696 2.769 20 0 JFADRO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001290404340 1062114169 /nfs/dbraw/zinc/11/41/69/1062114169.db2.gz ICUBBQRPUIXROE-QZTJIDSGSA-N 1 0 459.664 2.955 20 0 JFADRO CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC001294617080 1062126338 /nfs/dbraw/zinc/12/63/38/1062126338.db2.gz NIPDQWFIQAPKKK-VQTJNVASSA-N 1 0 480.654 2.934 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001290410478 1062127142 /nfs/dbraw/zinc/12/71/42/1062127142.db2.gz DUSBQKWAIJFJEC-GDBMZVCRSA-N 1 0 485.580 2.623 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCSCC2)C1 ZINC001287064921 1062131020 /nfs/dbraw/zinc/13/10/20/1062131020.db2.gz JLJNPGFRGFSOQF-QZTJIDSGSA-N 1 0 466.652 2.529 20 0 JFADRO Cc1nc(-c2ccn(C)n2)sc1CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001290415594 1062135376 /nfs/dbraw/zinc/13/53/76/1062135376.db2.gz HRLNQHRYPLWBJI-UHFFFAOYSA-N 1 0 452.628 2.719 20 0 JFADRO CCOC(=O)c1cc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)on1 ZINC001290416317 1062137678 /nfs/dbraw/zinc/13/76/78/1062137678.db2.gz SAZDIYCWUGPKDC-UHFFFAOYSA-N 1 0 454.449 2.812 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](c3nccs3)C2)C1 ZINC001294633152 1062142192 /nfs/dbraw/zinc/14/21/92/1062142192.db2.gz NKZCPDYVRFJNTM-HKUYNNGSSA-N 1 0 475.663 2.963 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417406 1062144581 /nfs/dbraw/zinc/14/45/81/1062144581.db2.gz NKYKSOKNPQYJJY-PMACEKPBSA-N 1 0 459.664 2.811 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001294637484 1062152089 /nfs/dbraw/zinc/15/20/89/1062152089.db2.gz IZLIYANZLMPLOP-WOJBJXKFSA-N 1 0 459.683 2.703 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(CC3CC3)n2CCCC[NH+]2CCOCC2)C1 ZINC001287067033 1062155030 /nfs/dbraw/zinc/15/50/30/1062155030.db2.gz ZDINWZLBVBBHLV-HXUWFJFHSA-N 1 0 462.639 2.694 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001294639420 1062155453 /nfs/dbraw/zinc/15/54/53/1062155453.db2.gz UWYRURIVLMOQOG-KURKYZTESA-N 1 0 464.636 2.523 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001294639850 1062156410 /nfs/dbraw/zinc/15/64/10/1062156410.db2.gz XXSLHAYYMDFUOM-GOSISDBHSA-N 1 0 454.685 2.822 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294640509 1062157418 /nfs/dbraw/zinc/15/74/18/1062157418.db2.gz AXYSZPWSLHCNCC-CEXWTWQISA-N 1 0 458.582 2.991 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](CC)c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294640632 1062157434 /nfs/dbraw/zinc/15/74/34/1062157434.db2.gz DSPRXPCNNDQAQW-GMAHTHKFSA-N 1 0 468.646 2.847 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(=O)NCC4CC4)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290422076 1062160214 /nfs/dbraw/zinc/16/02/14/1062160214.db2.gz VRXDRZBICTYNCJ-IBGZPJMESA-N 1 0 473.691 2.964 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001290422219 1062161464 /nfs/dbraw/zinc/16/14/64/1062161464.db2.gz WNYSFSIUXKVETK-QFBILLFUSA-N 1 0 480.704 2.768 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]3CCC[C@H]32)CC1 ZINC001294643305 1062167756 /nfs/dbraw/zinc/16/77/56/1062167756.db2.gz ZQVSSCAOOCCCHV-DFQSSKMNSA-N 1 0 452.669 2.779 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290425245 1062171588 /nfs/dbraw/zinc/17/15/88/1062171588.db2.gz XFVIOPDVYXHKIG-SCTDSRPQSA-N 1 0 489.690 2.613 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)CC1 ZINC001294645310 1062171634 /nfs/dbraw/zinc/17/16/34/1062171634.db2.gz BQTHEADJQWYZLW-IBGZPJMESA-N 1 0 496.081 2.634 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)CC1 ZINC001294645311 1062171857 /nfs/dbraw/zinc/17/18/57/1062171857.db2.gz BQTHEADJQWYZLW-LJQANCHMSA-N 1 0 496.081 2.634 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001290425246 1062172875 /nfs/dbraw/zinc/17/28/75/1062172875.db2.gz XFVIOPDVYXHKIG-ZHALLVOQSA-N 1 0 489.690 2.613 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001294645698 1062174064 /nfs/dbraw/zinc/17/40/64/1062174064.db2.gz FHEWSUXEFPZHKX-SFHVURJKSA-N 1 0 470.618 2.751 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001294645697 1062174322 /nfs/dbraw/zinc/17/43/22/1062174322.db2.gz FHEWSUXEFPZHKX-GOSISDBHSA-N 1 0 470.618 2.751 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646667 1062177372 /nfs/dbraw/zinc/17/73/72/1062177372.db2.gz NJANAYVORCTGRH-NRFANRHFSA-N 1 0 474.675 2.711 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294646727 1062178567 /nfs/dbraw/zinc/17/85/67/1062178567.db2.gz NWUWDLMEUHRVOD-ICSRJNTNSA-N 1 0 470.618 2.751 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001294646772 1062178705 /nfs/dbraw/zinc/17/87/05/1062178705.db2.gz OQADYIGSRBSMSF-UHFFFAOYSA-N 1 0 461.014 2.577 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001294647010 1062180720 /nfs/dbraw/zinc/18/07/20/1062180720.db2.gz QTSMHHKLHNGSTM-NHCUHLMSSA-N 1 0 454.619 2.990 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294647492 1062183907 /nfs/dbraw/zinc/18/39/07/1062183907.db2.gz DLJDKGHIRQTXQN-MRXNPFEDSA-N 1 0 478.439 2.873 20 0 JFADRO CC(C)(C)OC(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287069711 1062184246 /nfs/dbraw/zinc/18/42/46/1062184246.db2.gz XBCHEWZPGJQUFZ-NRFANRHFSA-N 1 0 481.601 2.654 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290431320 1062190734 /nfs/dbraw/zinc/19/07/34/1062190734.db2.gz HOARXFBMYSEJST-SFHVURJKSA-N 1 0 471.606 2.607 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001294649394 1062191108 /nfs/dbraw/zinc/19/11/08/1062191108.db2.gz BAAZLSJBTHKCOJ-HNNXBMFYSA-N 1 0 451.497 2.815 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCSCC2)C1 ZINC001287070722 1062193241 /nfs/dbraw/zinc/19/32/41/1062193241.db2.gz DMTNAKHLBHBURF-RBUKOAKNSA-N 1 0 480.679 2.714 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001294651511 1062197026 /nfs/dbraw/zinc/19/70/26/1062197026.db2.gz ZLJIFUQGCXSKQQ-UHFFFAOYSA-N 1 0 486.617 2.973 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cccnc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001294652255 1062198021 /nfs/dbraw/zinc/19/80/21/1062198021.db2.gz YZLCGTBXXMQKCY-NRFANRHFSA-N 1 0 460.648 2.866 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cccnc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001294652256 1062198945 /nfs/dbraw/zinc/19/89/45/1062198945.db2.gz YZLCGTBXXMQKCY-OAQYLSRUSA-N 1 0 460.648 2.866 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001294655359 1062200153 /nfs/dbraw/zinc/20/01/53/1062200153.db2.gz AVJSGDIFILYNRY-FCEUIQTBSA-N 1 0 496.722 2.748 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cs1 ZINC001290434938 1062201517 /nfs/dbraw/zinc/20/15/17/1062201517.db2.gz AFLZPWKVBNIBFL-UZUQRXQVSA-N 1 0 462.664 2.732 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(Cc4c(C)nn(C)c4C)CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290434980 1062201909 /nfs/dbraw/zinc/20/19/09/1062201909.db2.gz BQJPLXLEBYMEIA-UHFFFAOYSA-N 1 0 499.733 2.894 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001294657998 1062203153 /nfs/dbraw/zinc/20/31/53/1062203153.db2.gz NGPIAPLVTSEPAH-PCCBWWKXSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001294657965 1062203342 /nfs/dbraw/zinc/20/33/42/1062203342.db2.gz PAXSQUVYZDTWLR-UXHICEINSA-N 1 0 453.653 2.655 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC001294658382 1062204523 /nfs/dbraw/zinc/20/45/23/1062204523.db2.gz PIWRXNWPUBEMJL-MDNUFGMLSA-N 1 0 490.693 2.662 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001294658385 1062204751 /nfs/dbraw/zinc/20/47/51/1062204751.db2.gz PIWRXNWPUBEMJL-YMPZKCBVSA-N 1 0 490.693 2.662 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001294658738 1062205800 /nfs/dbraw/zinc/20/58/00/1062205800.db2.gz QWOAFDDPHYKUAB-NHCUHLMSSA-N 1 0 492.665 2.934 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC001290439812 1062207954 /nfs/dbraw/zinc/20/79/54/1062207954.db2.gz JFLNAKMZYVOHQG-QGZVFWFLSA-N 1 0 463.721 2.849 20 0 JFADRO Cc1nc(Cc2nnc(N3CCO[C@@H](c4cnn(C)c4)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290440252 1062208135 /nfs/dbraw/zinc/20/81/35/1062208135.db2.gz ACNZWNHKSASLJU-LJQANCHMSA-N 1 0 458.636 2.533 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001294659825 1062208214 /nfs/dbraw/zinc/20/82/14/1062208214.db2.gz YEYBTISLWWJFFL-IBGZPJMESA-N 1 0 455.669 2.554 20 0 JFADRO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001290440471 1062208407 /nfs/dbraw/zinc/20/84/07/1062208407.db2.gz CFMOXMJGRBAWRQ-IPJJNNNSSA-N 1 0 492.690 2.763 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC001294659954 1062209124 /nfs/dbraw/zinc/20/91/24/1062209124.db2.gz ZFEXXZLYSHHGSH-JOCHJYFZSA-N 1 0 496.722 2.892 20 0 JFADRO Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C2)no1 ZINC001290441428 1062212769 /nfs/dbraw/zinc/21/27/69/1062212769.db2.gz GUBFFNIQDZIIAB-WOJBJXKFSA-N 1 0 472.638 2.687 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001294661925 1062213566 /nfs/dbraw/zinc/21/35/66/1062213566.db2.gz CNNURWAIYXRRHD-GOTSBHOMSA-N 1 0 467.662 2.984 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001294662668 1062215289 /nfs/dbraw/zinc/21/52/89/1062215289.db2.gz PDYJKEODJADOMS-NRFANRHFSA-N 1 0 475.659 2.623 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001294663773 1062216593 /nfs/dbraw/zinc/21/65/93/1062216593.db2.gz SIDNILSIKZAIRT-OAQYLSRUSA-N 1 0 453.635 2.737 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294663819 1062217147 /nfs/dbraw/zinc/21/71/47/1062217147.db2.gz TUSIZUCDIOYINM-JOCHJYFZSA-N 1 0 453.635 2.691 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001294666533 1062219241 /nfs/dbraw/zinc/21/92/41/1062219241.db2.gz FUOITVMKEWDCCV-UHFFFAOYSA-N 1 0 474.572 2.832 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001294666608 1062219833 /nfs/dbraw/zinc/21/98/33/1062219833.db2.gz HNNGOSPLWCDZKU-FQEVSTJZSA-N 1 0 461.582 2.970 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001294668808 1062225208 /nfs/dbraw/zinc/22/52/08/1062225208.db2.gz DEJPMMDXGPPYHE-NLFFAJNJSA-N 1 0 492.665 2.719 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@H](CNC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001294670207 1062226730 /nfs/dbraw/zinc/22/67/30/1062226730.db2.gz PRUYTNPQSFDETH-JYFHCDHNSA-N 1 0 490.693 2.793 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294670302 1062227435 /nfs/dbraw/zinc/22/74/35/1062227435.db2.gz RGJSOQRNZGRDEW-RTWAWAEBSA-N 1 0 454.619 2.873 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294670635 1062227845 /nfs/dbraw/zinc/22/78/45/1062227845.db2.gz SWAZFTPEVKMLFY-OAQYLSRUSA-N 1 0 459.660 2.809 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294670350 1062228159 /nfs/dbraw/zinc/22/81/59/1062228159.db2.gz SMKLCANDIYSGOB-NHCUHLMSSA-N 1 0 475.659 2.829 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001294670920 1062229125 /nfs/dbraw/zinc/22/91/25/1062229125.db2.gz UKTNGCRCVTYLJM-DNVJHFABSA-N 1 0 490.693 2.660 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001294671401 1062229402 /nfs/dbraw/zinc/22/94/02/1062229402.db2.gz WWRQEJKNVHZSNY-DHLKQENFSA-N 1 0 476.666 2.546 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001294671410 1062230261 /nfs/dbraw/zinc/23/02/61/1062230261.db2.gz WWRQEJKNVHZSNY-WIOPSUGQSA-N 1 0 476.666 2.546 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCCN(CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671505 1062230325 /nfs/dbraw/zinc/23/03/25/1062230325.db2.gz XSYFWOACOQTOLN-NRFANRHFSA-N 1 0 461.699 2.688 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC)c2)CC1 ZINC001294674454 1062233853 /nfs/dbraw/zinc/23/38/53/1062233853.db2.gz HVPVARWWIAAFAQ-UHFFFAOYSA-N 1 0 458.607 2.792 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294675013 1062234944 /nfs/dbraw/zinc/23/49/44/1062234944.db2.gz DJSGGMNGXZMRAG-IANOAQMISA-N 1 0 481.707 2.931 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001294675378 1062236291 /nfs/dbraw/zinc/23/62/91/1062236291.db2.gz WRNUIPNNZNKAOD-UHFFFAOYSA-N 1 0 455.607 2.734 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)CC1 ZINC001294675657 1062236914 /nfs/dbraw/zinc/23/69/14/1062236914.db2.gz MIHNFCWSAGGKTI-QGZVFWFLSA-N 1 0 484.617 2.991 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(CO)c2)CC1 ZINC001294675959 1062237359 /nfs/dbraw/zinc/23/73/59/1062237359.db2.gz VEMYDYCOGMLULW-RUZDIDTESA-N 1 0 457.619 2.781 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCO2)CC1 ZINC001294677826 1062238930 /nfs/dbraw/zinc/23/89/30/1062238930.db2.gz PDFGCNRNADELCM-NRFANRHFSA-N 1 0 490.674 2.685 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001294679549 1062239393 /nfs/dbraw/zinc/23/93/93/1062239393.db2.gz ZZUOBVSIYUZFHI-UHFFFAOYSA-N 1 0 468.524 2.943 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCn2cccn2)CC1 ZINC001294679516 1062239442 /nfs/dbraw/zinc/23/94/42/1062239442.db2.gz ZLRUEXVSCCXMNU-UHFFFAOYSA-N 1 0 485.658 2.946 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC001294683526 1062242239 /nfs/dbraw/zinc/24/22/39/1062242239.db2.gz IDGXGPXUQBGODU-KRWDZBQOSA-N 1 0 466.556 2.930 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001294683222 1062242338 /nfs/dbraw/zinc/24/23/38/1062242338.db2.gz FVHJBKLVAWRXJX-QGZVFWFLSA-N 1 0 463.533 2.585 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)CC1 ZINC001294683943 1062243658 /nfs/dbraw/zinc/24/36/58/1062243658.db2.gz MTPDPFBYWDPPSQ-FQEVSTJZSA-N 1 0 469.590 2.766 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)CC1 ZINC001294684650 1062245365 /nfs/dbraw/zinc/24/53/65/1062245365.db2.gz VZWIUKAKQNUVPO-OAQYLSRUSA-N 1 0 456.591 2.580 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2OC)CC1 ZINC001294685148 1062245757 /nfs/dbraw/zinc/24/57/57/1062245757.db2.gz BBMRFDCAVDQCIR-UHFFFAOYSA-N 1 0 470.618 2.777 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001294686133 1062246827 /nfs/dbraw/zinc/24/68/27/1062246827.db2.gz NLMPMIBOJGEJFI-QFIPXVFZSA-N 1 0 470.666 2.709 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001294686314 1062246898 /nfs/dbraw/zinc/24/68/98/1062246898.db2.gz GYSBGCWIDLGTJK-FCHUYYIVSA-N 1 0 457.619 2.728 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294692375 1062251704 /nfs/dbraw/zinc/25/17/04/1062251704.db2.gz ARVQTCNRGFEJPB-NHCUHLMSSA-N 1 0 482.633 2.542 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001294694169 1062253874 /nfs/dbraw/zinc/25/38/74/1062253874.db2.gz JKMHRBADMPPCLT-QFIPXVFZSA-N 1 0 460.648 2.503 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001294694488 1062254519 /nfs/dbraw/zinc/25/45/19/1062254519.db2.gz UPCXCXUCZUVBMK-PMACEKPBSA-N 1 0 456.639 2.798 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001294696261 1062258068 /nfs/dbraw/zinc/25/80/68/1062258068.db2.gz DMQNQEYWDKAVTQ-HSZRJFAPSA-N 1 0 482.677 2.595 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC001294696555 1062258899 /nfs/dbraw/zinc/25/88/99/1062258899.db2.gz SITOXCUBHASIQP-FQEVSTJZSA-N 1 0 472.638 2.723 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697611 1062259436 /nfs/dbraw/zinc/25/94/36/1062259436.db2.gz VCGZRQWBYBWNAX-LTIDMASMSA-N 1 0 480.601 2.787 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294698389 1062260670 /nfs/dbraw/zinc/26/06/70/1062260670.db2.gz IHTPLDRSVBJEMH-QGZVFWFLSA-N 1 0 491.434 2.917 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698839 1062262422 /nfs/dbraw/zinc/26/24/22/1062262422.db2.gz ZOTFLGZVUGYOLK-PXNSSMCTSA-N 1 0 466.627 2.928 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699269 1062262549 /nfs/dbraw/zinc/26/25/49/1062262549.db2.gz NXVGUVJABBOYQZ-FQEVSTJZSA-N 1 0 452.669 2.576 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294699401 1062263351 /nfs/dbraw/zinc/26/33/51/1062263351.db2.gz PKXJJJSOSBGKMP-RBUKOAKNSA-N 1 0 478.638 2.819 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001294699663 1062264151 /nfs/dbraw/zinc/26/41/51/1062264151.db2.gz RGTIPCXDHWJHOI-NRFANRHFSA-N 1 0 456.639 2.684 20 0 JFADRO Cc1nc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290474418 1062264874 /nfs/dbraw/zinc/26/48/74/1062264874.db2.gz KXTWYTBBWPMTNE-FUHWJXTLSA-N 1 0 452.650 2.627 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001294699886 1062265013 /nfs/dbraw/zinc/26/50/13/1062265013.db2.gz UIORHDONPJVHSM-HSZRJFAPSA-N 1 0 498.720 2.929 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294701140 1062267084 /nfs/dbraw/zinc/26/70/84/1062267084.db2.gz WVCBTNKVODCGOZ-RTBURBONSA-N 1 0 470.618 2.894 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001294706710 1062270448 /nfs/dbraw/zinc/27/04/48/1062270448.db2.gz CROMTXIFAQKWMD-PMACEKPBSA-N 1 0 487.674 2.639 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708574 1062275364 /nfs/dbraw/zinc/27/53/64/1062275364.db2.gz SEPWKUORRGGTND-PMACEKPBSA-N 1 0 496.703 2.573 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 ZINC001294708980 1062276153 /nfs/dbraw/zinc/27/61/53/1062276153.db2.gz UBVMGWUWQMQJFN-LJQANCHMSA-N 1 0 490.599 2.707 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709375 1062277098 /nfs/dbraw/zinc/27/70/98/1062277098.db2.gz VGCFGCOAYBURDM-RTWAWAEBSA-N 1 0 462.639 2.961 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294709502 1062277455 /nfs/dbraw/zinc/27/74/55/1062277455.db2.gz MTCWKBOVQAIESD-FQEVSTJZSA-N 1 0 461.632 2.665 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712116 1062280758 /nfs/dbraw/zinc/28/07/58/1062280758.db2.gz PSSAOSBNDXJLQX-BDTNDASRSA-N 1 0 476.666 2.571 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294712175 1062281461 /nfs/dbraw/zinc/28/14/61/1062281461.db2.gz QEVJXXGXOIKKGT-RCCFBDPRSA-N 1 0 472.556 2.899 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294712169 1062281551 /nfs/dbraw/zinc/28/15/51/1062281551.db2.gz QEVJXXGXOIKKGT-KZNAEPCWSA-N 1 0 472.556 2.899 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294712975 1062284890 /nfs/dbraw/zinc/28/48/90/1062284890.db2.gz WTHSIEVGNWGJNQ-SFTDATJTSA-N 1 0 494.731 2.961 20 0 JFADRO CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(F)(F)F ZINC001287091409 1062284973 /nfs/dbraw/zinc/28/49/73/1062284973.db2.gz ZHNBAERBPKNSON-MRXNPFEDSA-N 1 0 481.523 2.672 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1C(C)(C)C ZINC001294713630 1062287118 /nfs/dbraw/zinc/28/71/18/1062287118.db2.gz XVLAWIYWHQFVOL-IBGZPJMESA-N 1 0 456.639 2.965 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294713734 1062288323 /nfs/dbraw/zinc/28/83/23/1062288323.db2.gz ZRBAUSCPEPXHJW-SQJMNOBHSA-N 1 0 476.666 2.642 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001294718556 1062290074 /nfs/dbraw/zinc/29/00/74/1062290074.db2.gz BBGPOYROPOTACG-RUZDIDTESA-N 1 0 476.666 2.642 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001290498807 1062290487 /nfs/dbraw/zinc/29/04/87/1062290487.db2.gz WTRZHNYHJYWDSM-UHFFFAOYSA-N 1 0 496.685 2.635 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001287093758 1062292788 /nfs/dbraw/zinc/29/27/88/1062292788.db2.gz DYJNONDFGCCNAQ-UHFFFAOYSA-N 1 0 468.646 2.987 20 0 JFADRO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001290501761 1062294614 /nfs/dbraw/zinc/29/46/14/1062294614.db2.gz RMBWWRWANSLNMK-FQEVSTJZSA-N 1 0 470.666 2.793 20 0 JFADRO Cc1nccc(N2CCN(c3nnc(Cc4c(F)cccc4F)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001290502191 1062297576 /nfs/dbraw/zinc/29/75/76/1062297576.db2.gz XRXHPSZXFNYGAL-UHFFFAOYSA-N 1 0 470.572 2.912 20 0 JFADRO CC(C)(Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001287095706 1062299028 /nfs/dbraw/zinc/29/90/28/1062299028.db2.gz ZJOFKCYRMKGHMC-SFHVURJKSA-N 1 0 493.578 2.891 20 0 JFADRO CC(C)(O)CCn1c(Cc2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001287097503 1062303227 /nfs/dbraw/zinc/30/32/27/1062303227.db2.gz QFELUCYBJMJQJT-UHFFFAOYSA-N 1 0 456.635 2.754 20 0 JFADRO Nc1cn(Cc2ccc(C(=O)N3CC[C@H](OCC[NH+]4CCCC4)C3)cc2)nc1C(F)(F)F ZINC001294724071 1062303458 /nfs/dbraw/zinc/30/34/58/1062303458.db2.gz XYLNVAHNTNCQIZ-SFHVURJKSA-N 1 0 451.493 2.859 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287099320 1062307923 /nfs/dbraw/zinc/30/79/23/1062307923.db2.gz XMTPICFOIWOYRJ-CQSZACIVSA-N 1 0 470.437 2.699 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001294731479 1062311913 /nfs/dbraw/zinc/31/19/13/1062311913.db2.gz SEGLHXWQLDOUJL-QFIPXVFZSA-N 1 0 462.602 2.795 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001294731550 1062312371 /nfs/dbraw/zinc/31/23/71/1062312371.db2.gz VRSCCWBGJRUUBM-WOJBJXKFSA-N 1 0 454.623 2.552 20 0 JFADRO CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001287102331 1062312923 /nfs/dbraw/zinc/31/29/23/1062312923.db2.gz KJGQXMJMPJDSMW-PMACEKPBSA-N 1 0 492.665 2.670 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001294733025 1062314375 /nfs/dbraw/zinc/31/43/75/1062314375.db2.gz JYOPKBNJDOLWJM-FCHUYYIVSA-N 1 0 460.667 2.989 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001294734092 1062316848 /nfs/dbraw/zinc/31/68/48/1062316848.db2.gz OKHPLARXXCHHSO-NRFANRHFSA-N 1 0 486.636 2.958 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001294734263 1062317433 /nfs/dbraw/zinc/31/74/33/1062317433.db2.gz RDSFVUNWPXBJBW-QFIPXVFZSA-N 1 0 486.636 2.814 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+](CC)CCC(F)(F)F)CC1=O ZINC001294734335 1062317984 /nfs/dbraw/zinc/31/79/84/1062317984.db2.gz UKXFXLHUYBCAQO-SFHVURJKSA-N 1 0 474.572 2.895 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[N@H+](CC)C2)CC1=O ZINC001294734493 1062318349 /nfs/dbraw/zinc/31/83/49/1062318349.db2.gz WLRDIWXANKUDCR-SFHVURJKSA-N 1 0 460.573 2.938 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccccc2)CC1=O ZINC001294735124 1062319201 /nfs/dbraw/zinc/31/92/01/1062319201.db2.gz JAHQURAMGIOVRF-UHFFFAOYSA-N 1 0 461.614 2.845 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001287109127 1062321653 /nfs/dbraw/zinc/32/16/53/1062321653.db2.gz GZRTVWPHRLFRHU-UHFFFAOYSA-N 1 0 454.623 2.552 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001287109134 1062321696 /nfs/dbraw/zinc/32/16/96/1062321696.db2.gz HCAOBEQIUHCXAI-UHFFFAOYSA-N 1 0 462.602 2.540 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287111059 1062326119 /nfs/dbraw/zinc/32/61/19/1062326119.db2.gz ZCNRUOGPBFLVOR-JOCHJYFZSA-N 1 0 470.618 2.826 20 0 JFADRO C[C@H](NC(=O)c1cnc(CC2CCN(C(=O)OC(C)(C)C)CC2)s1)[C@H]1CN(C)CCO1 ZINC001294741997 1062328369 /nfs/dbraw/zinc/32/83/69/1062328369.db2.gz NSTCKNZLVYIRHB-DOTOQJQBSA-N 1 0 452.621 2.782 20 0 JFADRO Cc1nccnc1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001290530183 1062332305 /nfs/dbraw/zinc/33/23/05/1062332305.db2.gz ORJJOKNLQXQARO-UHFFFAOYSA-N 1 0 483.642 2.610 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001287113664 1062333681 /nfs/dbraw/zinc/33/36/81/1062333681.db2.gz KSRHQBBTDGTUJS-UHFFFAOYSA-N 1 0 456.639 2.639 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001294743939 1062333915 /nfs/dbraw/zinc/33/39/15/1062333915.db2.gz HUALFGRYNIZEPI-LMNJBCLMSA-N 1 0 478.638 2.896 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCCC2)CC1 ZINC001287114128 1062335607 /nfs/dbraw/zinc/33/56/07/1062335607.db2.gz RHECJTINKZEOMD-UHFFFAOYSA-N 1 0 478.439 2.826 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001294744241 1062335674 /nfs/dbraw/zinc/33/56/74/1062335674.db2.gz PMEQTQXAIPVWCB-INIZCTEOSA-N 1 0 470.544 2.679 20 0 JFADRO 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CCCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001294821788 1062504470 /nfs/dbraw/zinc/50/44/70/1062504470.db2.gz GBYNCDCDROBOIE-UHFFFAOYSA-N 1 0 458.010 2.998 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290631900 1062507877 /nfs/dbraw/zinc/50/78/77/1062507877.db2.gz SGPLUUHCOFILFL-XPWALMASSA-N 1 0 473.666 2.890 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001294822802 1062508697 /nfs/dbraw/zinc/50/86/97/1062508697.db2.gz QQADDLODJXQKDQ-FQEVSTJZSA-N 1 0 471.650 2.527 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001294822821 1062509250 /nfs/dbraw/zinc/50/92/50/1062509250.db2.gz RIPUSKZJAFYCHI-NRFANRHFSA-N 1 0 483.661 2.892 20 0 JFADRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001294823430 1062511500 /nfs/dbraw/zinc/51/15/00/1062511500.db2.gz ALVKVEMPVJKUIB-UHFFFAOYSA-N 1 0 459.568 2.669 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001287150495 1062520683 /nfs/dbraw/zinc/52/06/83/1062520683.db2.gz LCABQTWBPDTEGF-VWLOTQADSA-N 1 0 456.635 2.752 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC001290638329 1062521430 /nfs/dbraw/zinc/52/14/30/1062521430.db2.gz BICKMAXQZRLMJQ-UGKGYDQZSA-N 1 0 491.706 2.665 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2Cc2c(C)nn(C)c2C)n1 ZINC001290639031 1062522890 /nfs/dbraw/zinc/52/28/90/1062522890.db2.gz GHDDDIFCWYNRFC-UHFFFAOYSA-N 1 0 453.639 2.849 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001287151873 1062524112 /nfs/dbraw/zinc/52/41/12/1062524112.db2.gz WSBRAVRBSPQLKP-KHMOSXFSSA-N 1 0 480.661 2.924 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001287152752 1062527365 /nfs/dbraw/zinc/52/73/65/1062527365.db2.gz JOPQFYYFYKPARW-FQEVSTJZSA-N 1 0 473.710 2.806 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290640791 1062527455 /nfs/dbraw/zinc/52/74/55/1062527455.db2.gz LNXKJNZBWAXNQL-NRFANRHFSA-N 1 0 484.693 2.955 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)CC1 ZINC001287153064 1062528435 /nfs/dbraw/zinc/52/84/35/1062528435.db2.gz LMUUEDAALAOWHL-ROUUACIJSA-N 1 0 494.644 2.921 20 0 JFADRO CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001294839991 1062533227 /nfs/dbraw/zinc/53/32/27/1062533227.db2.gz ZCKAMHTZEXXJMW-HXUWFJFHSA-N 1 0 490.612 2.552 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](Cn4nc(C)cc4C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290647396 1062540889 /nfs/dbraw/zinc/54/08/89/1062540889.db2.gz DPOSKTIAQFQLPZ-DEOSSOPVSA-N 1 0 497.692 2.977 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](Cn4nc(C)cc4C)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290647397 1062540935 /nfs/dbraw/zinc/54/09/35/1062540935.db2.gz DPOSKTIAQFQLPZ-XMMPIXPASA-N 1 0 497.692 2.977 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294846534 1062542946 /nfs/dbraw/zinc/54/29/46/1062542946.db2.gz RXNHGPUTTVLFIW-UHFFFAOYSA-N 1 0 497.688 2.865 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(Cc4csc(C)n4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001290647754 1062542858 /nfs/dbraw/zinc/54/28/58/1062542858.db2.gz PHORQBLHDRVAON-UHFFFAOYSA-N 1 0 485.706 2.957 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294846756 1062543538 /nfs/dbraw/zinc/54/35/38/1062543538.db2.gz ISHWSEGYJSJBJZ-UHFFFAOYSA-N 1 0 458.607 2.799 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@H]2CCCOC2)n1 ZINC001290648324 1062544194 /nfs/dbraw/zinc/54/41/94/1062544194.db2.gz RZSIMUNFQVWNAD-HXUWFJFHSA-N 1 0 499.582 2.657 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290648311 1062544481 /nfs/dbraw/zinc/54/44/81/1062544481.db2.gz JIOPLXJFSLKMJG-BHIFYINESA-N 1 0 473.666 2.889 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001294847683 1062546783 /nfs/dbraw/zinc/54/67/83/1062546783.db2.gz WNAKTHZCTWQYPI-QZTJIDSGSA-N 1 0 456.591 2.552 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001287157301 1062546918 /nfs/dbraw/zinc/54/69/18/1062546918.db2.gz MJLCEZRSZCIINB-MJGOQNOKSA-N 1 0 456.591 2.537 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[NH+]2CCCCCC2)n1 ZINC001290649585 1062547729 /nfs/dbraw/zinc/54/77/29/1062547729.db2.gz RYHFRCRBJMPBJG-QFIPXVFZSA-N 1 0 459.639 2.646 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001287157737 1062548561 /nfs/dbraw/zinc/54/85/61/1062548561.db2.gz OUKHDAXZLJXBBF-LJQANCHMSA-N 1 0 491.438 2.725 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](F)[C@@H](c4ccccc4)C3)n2CCOCC[NH+](C)C)n1 ZINC001290651339 1062550155 /nfs/dbraw/zinc/55/01/55/1062550155.db2.gz BEYWPNLBPCDOED-FGZHOGPDSA-N 1 0 455.582 2.660 20 0 JFADRO 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CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001287163663 1062570889 /nfs/dbraw/zinc/57/08/89/1062570889.db2.gz SKTSCLYSNYJLGX-MJGOQNOKSA-N 1 0 466.556 2.928 20 0 JFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868062 1062572762 /nfs/dbraw/zinc/57/27/62/1062572762.db2.gz PKCSPWGNQYMESR-WMTXJRDZSA-N 1 0 453.558 2.677 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287165976 1062576775 /nfs/dbraw/zinc/57/67/75/1062576775.db2.gz XLFHSNOKRVBCSD-AABGKKOBSA-N 1 0 489.665 2.782 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001287166462 1062578236 /nfs/dbraw/zinc/57/82/36/1062578236.db2.gz IHLDACKUAFRBKD-UFYCRDLUSA-N 1 0 490.674 2.764 20 0 JFADRO Cc1nc2n(n1)CCN(c1nnc(C(C)(C)C)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C2 ZINC001290671207 1062580230 /nfs/dbraw/zinc/58/02/30/1062580230.db2.gz GKATVKHGIKHDBF-UHFFFAOYSA-N 1 0 489.669 2.732 20 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Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC001290693245 1062619364 /nfs/dbraw/zinc/61/93/64/1062619364.db2.gz YAVHJTOWADEFAP-WMZOPIPTSA-N 1 0 460.652 2.715 20 0 JFADRO CC(C)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287193389 1062622549 /nfs/dbraw/zinc/62/25/49/1062622549.db2.gz PFUSBKSBUMKEMV-IRLDBZIGSA-N 1 0 474.675 2.784 20 0 JFADRO CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001294895201 1062623350 /nfs/dbraw/zinc/62/33/50/1062623350.db2.gz LCJUERWSNBXVHU-LJQANCHMSA-N 1 0 463.586 2.758 20 0 JFADRO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287198982 1062634838 /nfs/dbraw/zinc/63/48/38/1062634838.db2.gz FFHHGDUZABGZCW-GOSISDBHSA-N 1 0 454.666 2.626 20 0 JFADRO CCCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294899943 1062636204 /nfs/dbraw/zinc/63/62/04/1062636204.db2.gz XNJDPZLIYIRACY-UHFFFAOYSA-N 1 0 494.644 2.683 20 0 JFADRO 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CC(C)c1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287205246 1062650143 /nfs/dbraw/zinc/65/01/43/1062650143.db2.gz BCLXJSXESOLLAF-FSSWDIPSSA-N 1 0 460.667 2.987 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287205248 1062650212 /nfs/dbraw/zinc/65/02/12/1062650212.db2.gz BCLXJSXESOLLAF-YPAWHYETSA-N 1 0 460.667 2.987 20 0 JFADRO CC(C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001287206551 1062652737 /nfs/dbraw/zinc/65/27/37/1062652737.db2.gz CPAZNKYLMGHXOJ-UHFFFAOYSA-N 1 0 456.639 2.638 20 0 JFADRO Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCOc1ccc(Cl)cn1 ZINC001290737266 1062659221 /nfs/dbraw/zinc/65/92/21/1062659221.db2.gz IAEOXOBPIJVDOR-LAUBAEHRSA-N 1 0 458.998 2.967 20 0 JFADRO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)n1CCOCC[NH+](C)C ZINC001287212234 1062666228 /nfs/dbraw/zinc/66/62/28/1062666228.db2.gz NGIVRXFYNHCJKD-UHFFFAOYSA-N 1 0 463.026 2.986 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001287212774 1062668242 /nfs/dbraw/zinc/66/82/42/1062668242.db2.gz SQGSLIMJYZOIBT-GAJHUEQPSA-N 1 0 486.608 2.939 20 0 JFADRO CC(C)c1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287212874 1062669384 /nfs/dbraw/zinc/66/93/84/1062669384.db2.gz XRTXELXKFRHENF-NRFANRHFSA-N 1 0 463.648 2.794 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287213060 1062670384 /nfs/dbraw/zinc/67/03/84/1062670384.db2.gz WMPZAGVWEIWXCV-RTBURBONSA-N 1 0 466.677 2.770 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001287214670 1062680859 /nfs/dbraw/zinc/68/08/59/1062680859.db2.gz PBHFMDTVWFQFDP-UNMCSNQZSA-N 1 0 453.635 2.669 20 0 JFADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287215916 1062689337 /nfs/dbraw/zinc/68/93/37/1062689337.db2.gz MBEVKIKZNKTRNI-FXAWDEMLSA-N 1 0 459.664 2.555 20 0 JFADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001290771544 1062689519 /nfs/dbraw/zinc/68/95/19/1062689519.db2.gz HJKYZVCJXCAKEP-FYSMJZIKSA-N 1 0 453.591 2.530 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924568 1062693506 /nfs/dbraw/zinc/69/35/06/1062693506.db2.gz ISDRCHQXSZMTDZ-QUCCMNQESA-N 1 0 470.618 2.894 20 0 JFADRO CC(C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287218616 1062700035 /nfs/dbraw/zinc/70/00/35/1062700035.db2.gz DBEWVQHMGGHYHD-QHCPKHFHSA-N 1 0 460.623 2.827 20 0 JFADRO Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290793636 1062700682 /nfs/dbraw/zinc/70/06/82/1062700682.db2.gz JZCWWJHKSOJMGZ-LNLFQRSKSA-N 1 0 450.628 2.920 20 0 JFADRO Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001290797547 1062702335 /nfs/dbraw/zinc/70/23/35/1062702335.db2.gz IWCUHBXNMVJWST-SFHVURJKSA-N 1 0 455.529 2.880 20 0 JFADRO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001290799227 1062703598 /nfs/dbraw/zinc/70/35/98/1062703598.db2.gz GZMIGVMYDCLZMU-ILBGXUMGSA-N 1 0 450.583 2.543 20 0 JFADRO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001290799228 1062704046 /nfs/dbraw/zinc/70/40/46/1062704046.db2.gz GZMIGVMYDCLZMU-NOZRDPDXSA-N 1 0 450.583 2.543 20 0 JFADRO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)CC(=O)N2C)cc1 ZINC001290799230 1062704116 /nfs/dbraw/zinc/70/41/16/1062704116.db2.gz GZMIGVMYDCLZMU-UKILVPOCSA-N 1 0 450.583 2.543 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290801569 1062705890 /nfs/dbraw/zinc/70/58/90/1062705890.db2.gz NXSWUZGLGLLXSU-ROUUACIJSA-N 1 0 458.582 2.624 20 0 JFADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001290802653 1062706590 /nfs/dbraw/zinc/70/65/90/1062706590.db2.gz WIXNRRNFRKQPQM-YTTGMZPUSA-N 1 0 458.676 2.508 20 0 JFADRO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001287222252 1062708115 /nfs/dbraw/zinc/70/81/15/1062708115.db2.gz CXOUPZLKSVGNDK-ROUUACIJSA-N 1 0 466.677 2.770 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001287222428 1062708761 /nfs/dbraw/zinc/70/87/61/1062708761.db2.gz FAMVAIVTZZMQLX-OAQYLSRUSA-N 1 0 454.619 2.505 20 0 JFADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290808005 1062709805 /nfs/dbraw/zinc/70/98/05/1062709805.db2.gz AQDAAUIIUUZJJV-QFIPXVFZSA-N 1 0 467.549 2.570 20 0 JFADRO Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290828220 1062721561 /nfs/dbraw/zinc/72/15/61/1062721561.db2.gz JNSBVQDUTCEYPD-FYYLOGMGSA-N 1 0 454.619 2.590 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001294939732 1062722203 /nfs/dbraw/zinc/72/22/03/1062722203.db2.gz YXKDLTVBMXAWDQ-QUCCMNQESA-N 1 0 470.618 2.894 20 0 JFADRO Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CCCCC[NH+]1CCCC1 ZINC001290833999 1062726526 /nfs/dbraw/zinc/72/65/26/1062726526.db2.gz SRICLGAJEZDMHY-OAQYLSRUSA-N 1 0 452.669 2.683 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287235371 1062727730 /nfs/dbraw/zinc/72/77/30/1062727730.db2.gz ZNMHDPVGQFCFFN-FSSWDIPSSA-N 1 0 496.722 2.604 20 0 JFADRO Cc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001290846612 1062733101 /nfs/dbraw/zinc/73/31/01/1062733101.db2.gz DXMLFBPNVIKAKS-HSZRJFAPSA-N 1 0 483.661 2.898 20 0 JFADRO Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001290851699 1062735676 /nfs/dbraw/zinc/73/56/76/1062735676.db2.gz MBJRXMAGWMBOSV-UHFFFAOYSA-N 1 0 452.559 2.521 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287252976 1062735755 /nfs/dbraw/zinc/73/57/55/1062735755.db2.gz NLVAGOMGGWBQJF-NHCUHLMSSA-N 1 0 475.659 2.678 20 0 JFADRO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001290853181 1062737911 /nfs/dbraw/zinc/73/79/11/1062737911.db2.gz ZHRKWMLXDDKOJN-IBGZPJMESA-N 1 0 458.582 2.718 20 0 JFADRO CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)cc1 ZINC001294959056 1062741893 /nfs/dbraw/zinc/74/18/93/1062741893.db2.gz YFOKCLDXFWODHJ-LJQANCHMSA-N 1 0 453.591 2.673 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287265832 1062742788 /nfs/dbraw/zinc/74/27/88/1062742788.db2.gz WLVLSRLSHRMIDE-FGZHOGPDSA-N 1 0 489.686 2.846 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC001290859876 1062744183 /nfs/dbraw/zinc/74/41/83/1062744183.db2.gz LBKUZPLBGGXPPA-SANMLTNESA-N 1 0 450.627 2.638 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001287273862 1062747307 /nfs/dbraw/zinc/74/73/07/1062747307.db2.gz GJJCBYAQJFUNKN-RTBURBONSA-N 1 0 455.607 2.907 20 0 JFADRO Cc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290864314 1062747581 /nfs/dbraw/zinc/74/75/81/1062747581.db2.gz SHMVALYBZWJGMX-UHFFFAOYSA-N 1 0 487.649 2.855 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001290867656 1062750038 /nfs/dbraw/zinc/75/00/38/1062750038.db2.gz QGRCQTVMIKAUIN-ZLNRFVROSA-N 1 0 473.710 2.725 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290869614 1062753748 /nfs/dbraw/zinc/75/37/48/1062753748.db2.gz KFFZOYKJCKIXFJ-KSEOMHKRSA-N 1 0 459.683 2.524 20 0 JFADRO CCCOc1ccc(Cn2c(N3CC[N@H+](CC)[C@H](C)C3)nnc2[C@@]2(OCC)CCOC2)cn1 ZINC001294971980 1062754247 /nfs/dbraw/zinc/75/42/47/1062754247.db2.gz QCQLOHRQJMIOQR-NTKDMRAZSA-N 1 0 458.607 2.693 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290870017 1062755031 /nfs/dbraw/zinc/75/50/31/1062755031.db2.gz OSSOFRPEIZKCBO-ZLNRFVROSA-N 1 0 473.710 2.868 20 0 JFADRO Cc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001290871784 1062757606 /nfs/dbraw/zinc/75/76/06/1062757606.db2.gz JICGNZHVDAKOLO-RXVVDRJESA-N 1 0 458.607 2.698 20 0 JFADRO Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001290871785 1062757752 /nfs/dbraw/zinc/75/77/52/1062757752.db2.gz JICGNZHVDAKOLO-WIYYLYMNSA-N 1 0 458.607 2.698 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001287284436 1062759409 /nfs/dbraw/zinc/75/94/09/1062759409.db2.gz XMSUIPJZHNGNDX-VQTJNVASSA-N 1 0 459.664 2.794 20 0 JFADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001294975317 1062759613 /nfs/dbraw/zinc/75/96/13/1062759613.db2.gz ZXGKICKUGYVINL-IBGZPJMESA-N 1 0 469.634 2.959 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287286714 1062760519 /nfs/dbraw/zinc/76/05/19/1062760519.db2.gz IGJBGCWMSWAXOX-UFYCRDLUSA-N 1 0 469.721 2.878 20 0 JFADRO Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1cccc(Cn2ccnc2)c1 ZINC001290877163 1062761655 /nfs/dbraw/zinc/76/16/55/1062761655.db2.gz SIECXGRXOOLZNY-UHFFFAOYSA-N 1 0 477.535 2.971 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290879486 1062763479 /nfs/dbraw/zinc/76/34/79/1062763479.db2.gz RFTOPYLHSBNOSS-QHCPKHFHSA-N 1 0 474.675 2.607 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3cccc(Br)c3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001290881712 1062764368 /nfs/dbraw/zinc/76/43/68/1062764368.db2.gz CJYAOCJYUMHRCA-FQEVSTJZSA-N 1 0 477.451 2.953 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC[NH+](C)C)CCS1 ZINC001287295983 1062768592 /nfs/dbraw/zinc/76/85/92/1062768592.db2.gz NYTMGEYGSRNXBU-HXUWFJFHSA-N 1 0 457.648 2.673 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC001287296172 1062769058 /nfs/dbraw/zinc/76/90/58/1062769058.db2.gz RBCAGNLINVZSQH-RTWAWAEBSA-N 1 0 458.582 2.704 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287298455 1062770418 /nfs/dbraw/zinc/77/04/18/1062770418.db2.gz BXLBATFBNGEDMN-YUMYIRISSA-N 1 0 463.667 2.905 20 0 JFADRO CCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294985770 1062772123 /nfs/dbraw/zinc/77/21/23/1062772123.db2.gz WKAZOBJTKBCZNY-FPOVZHCZSA-N 1 0 458.607 2.561 20 0 JFADRO Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001290900638 1062772674 /nfs/dbraw/zinc/77/26/74/1062772674.db2.gz RSVRAESURAMPOO-FCHUYYIVSA-N 1 0 475.682 2.600 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001294986231 1062773265 /nfs/dbraw/zinc/77/32/65/1062773265.db2.gz DTFOXXBNJPAKAX-WMZHIEFXSA-N 1 0 464.680 2.737 20 0 JFADRO CC(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001287306040 1062776732 /nfs/dbraw/zinc/77/67/32/1062776732.db2.gz IPSFEHUBDRDBEE-VWPQPMDRSA-N 1 0 460.667 2.671 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001294997382 1062783886 /nfs/dbraw/zinc/78/38/86/1062783886.db2.gz RGKFXXIQBWTBOT-VAMGGRTRSA-N 1 0 470.684 2.548 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC001287318433 1062789277 /nfs/dbraw/zinc/78/92/77/1062789277.db2.gz APSVFWZNUPTIMZ-OAQYLSRUSA-N 1 0 456.635 2.881 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295002690 1062790048 /nfs/dbraw/zinc/79/00/48/1062790048.db2.gz QYQKGBLTTHQXBP-RTWAWAEBSA-N 1 0 467.680 2.842 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001287319082 1062791464 /nfs/dbraw/zinc/79/14/64/1062791464.db2.gz HETNMGULUAWZSO-UVPKRVSESA-N 1 0 485.633 2.674 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1)[NH+](C)C ZINC001287319223 1062791949 /nfs/dbraw/zinc/79/19/49/1062791949.db2.gz IAYPEVYRNZGFBA-INIZCTEOSA-N 1 0 482.555 2.726 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001287319670 1062793004 /nfs/dbraw/zinc/79/30/04/1062793004.db2.gz NABSICOSNKYWGH-OAQYLSRUSA-N 1 0 496.660 2.741 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001295008822 1062796320 /nfs/dbraw/zinc/79/63/20/1062796320.db2.gz PNWPGEMYBVBDES-FKBYEOEOSA-N 1 0 479.666 2.898 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001287321468 1062798557 /nfs/dbraw/zinc/79/85/57/1062798557.db2.gz HRCFRUBJKKMBKP-XLIONFOSSA-N 1 0 455.636 2.839 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001287321467 1062798653 /nfs/dbraw/zinc/79/86/53/1062798653.db2.gz HRCFRUBJKKMBKP-PXNSSMCTSA-N 1 0 455.636 2.839 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001287321576 1062799299 /nfs/dbraw/zinc/79/92/99/1062799299.db2.gz JQVNKWFWGIYXKU-ROUUACIJSA-N 1 0 469.055 2.983 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001287321637 1062799328 /nfs/dbraw/zinc/79/93/28/1062799328.db2.gz KQOYMEYYDGGTBA-QFIPXVFZSA-N 1 0 461.699 2.949 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+](C)C ZINC001287322125 1062799955 /nfs/dbraw/zinc/79/99/55/1062799955.db2.gz NKMOFKNSEXCWGX-FOIQADDNSA-N 1 0 466.428 2.714 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001287322493 1062800783 /nfs/dbraw/zinc/80/07/83/1062800783.db2.gz PUJFJRWAQSDJFD-RCCFBDPRSA-N 1 0 452.625 2.799 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287322621 1062800828 /nfs/dbraw/zinc/80/08/28/1062800828.db2.gz QRYHPYHRJMKOIT-ZVDOUQERSA-N 1 0 492.690 2.785 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001287327892 1062801608 /nfs/dbraw/zinc/80/16/08/1062801608.db2.gz CPNXKFNQMZVIPV-PMACEKPBSA-N 1 0 458.655 2.786 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001287327867 1062801882 /nfs/dbraw/zinc/80/18/82/1062801882.db2.gz CDMRZEWHSLNSJD-ZWKOTPCHSA-N 1 0 466.627 2.531 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328398 1062802307 /nfs/dbraw/zinc/80/23/07/1062802307.db2.gz GYDKAELDEWZDDH-CJAUYULYSA-N 1 0 485.608 2.875 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328797 1062803678 /nfs/dbraw/zinc/80/36/78/1062803678.db2.gz MLFRWVGMJJYYIN-SFTDATJTSA-N 1 0 467.618 2.688 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001287328789 1062803839 /nfs/dbraw/zinc/80/38/39/1062803839.db2.gz MIQNNQHHDNFEKU-QGZVFWFLSA-N 1 0 482.555 2.606 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1)[NH+](C)C ZINC001287329145 1062804680 /nfs/dbraw/zinc/80/46/80/1062804680.db2.gz BMBRQGOPZSLYNN-PMACEKPBSA-N 1 0 460.602 2.752 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)[NH+](C)C ZINC001287329528 1062805858 /nfs/dbraw/zinc/80/58/58/1062805858.db2.gz FRTVTPOQPHZBDY-HXUWFJFHSA-N 1 0 478.649 2.951 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001287329577 1062806229 /nfs/dbraw/zinc/80/62/29/1062806229.db2.gz GGIWLCHYXAKOKC-HXUWFJFHSA-N 1 0 480.661 2.613 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CCCO)CC1)[NH+](C)C ZINC001287329563 1062806260 /nfs/dbraw/zinc/80/62/60/1062806260.db2.gz GFSXGSUFGZEETH-IBGZPJMESA-N 1 0 460.623 2.971 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001287330085 1062806839 /nfs/dbraw/zinc/80/68/39/1062806839.db2.gz JZXOIBQMWUFSNJ-OALUTQOASA-N 1 0 463.030 2.897 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287331023 1062808026 /nfs/dbraw/zinc/80/80/26/1062808026.db2.gz DGTJYAGOSPHPRS-HXUWFJFHSA-N 1 0 487.674 2.506 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1)[NH+](C)C ZINC001287331028 1062808234 /nfs/dbraw/zinc/80/82/34/1062808234.db2.gz DJGCLVZEXQEQHZ-APWZRJJASA-N 1 0 481.613 2.997 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287333316 1062810757 /nfs/dbraw/zinc/81/07/57/1062810757.db2.gz UCXSMEXCXVWHPE-HSALFYBXSA-N 1 0 489.665 2.528 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001287333826 1062811302 /nfs/dbraw/zinc/81/13/02/1062811302.db2.gz VMEWHSIJWHRJGO-MOPGFXCFSA-N 1 0 451.575 2.888 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001287333829 1062811322 /nfs/dbraw/zinc/81/13/22/1062811322.db2.gz VMEWHSIJWHRJGO-RTBURBONSA-N 1 0 451.575 2.888 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCn1cccn1)[NH+](C)C ZINC001287334446 1062812049 /nfs/dbraw/zinc/81/20/49/1062812049.db2.gz XCIBDWHNRKLIGR-LJQANCHMSA-N 1 0 477.617 2.501 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001287335034 1062813186 /nfs/dbraw/zinc/81/31/86/1062813186.db2.gz YQFKMFTWYPLQHQ-WCIQWLHISA-N 1 0 489.665 2.509 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287335650 1062814265 /nfs/dbraw/zinc/81/42/65/1062814265.db2.gz WESOWHMWPXVPNN-DNVJHFABSA-N 1 0 489.686 2.604 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287338456 1062815597 /nfs/dbraw/zinc/81/55/97/1062815597.db2.gz HZUKVRXVGPDVRT-GMAHTHKFSA-N 1 0 473.710 2.730 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287338580 1062815688 /nfs/dbraw/zinc/81/56/88/1062815688.db2.gz KINABNQJBIVMDZ-HSZRJFAPSA-N 1 0 483.705 2.990 20 0 JFADRO CC(C)C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001287339060 1062816531 /nfs/dbraw/zinc/81/65/31/1062816531.db2.gz RIHBYZGHTMRXKD-FGZHOGPDSA-N 1 0 480.723 2.991 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001287339062 1062816590 /nfs/dbraw/zinc/81/65/90/1062816590.db2.gz RIHBYZGHTMRXKD-YADHBBJMSA-N 1 0 480.723 2.991 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC001287338976 1062816619 /nfs/dbraw/zinc/81/66/19/1062816619.db2.gz QUBGSPMOWDMGRD-JOCHJYFZSA-N 1 0 468.646 2.865 20 0 JFADRO CC(C)C[C@@H](Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339380 1062816954 /nfs/dbraw/zinc/81/69/54/1062816954.db2.gz UWJDZSFYOLHHJZ-SFTDATJTSA-N 1 0 461.699 2.685 20 0 JFADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1)[NH+](C)C ZINC001287339536 1062817679 /nfs/dbraw/zinc/81/76/79/1062817679.db2.gz WVDRZEICYRAAEE-KHCICDEESA-N 1 0 490.674 2.630 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287341369 1062818693 /nfs/dbraw/zinc/81/86/93/1062818693.db2.gz OFJRHVNKZNCUCB-SLFFLAALSA-N 1 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C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001290975657 1062853369 /nfs/dbraw/zinc/85/33/69/1062853369.db2.gz BIAGGEYKXCNLSE-LHSJRXKWSA-N 1 0 467.014 2.842 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001290975659 1062853398 /nfs/dbraw/zinc/85/33/98/1062853398.db2.gz BIAGGEYKXCNLSE-SPLOXXLWSA-N 1 0 467.014 2.842 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287418141 1062856364 /nfs/dbraw/zinc/85/63/64/1062856364.db2.gz LPSHALYQWOMYMT-HSZRJFAPSA-N 1 0 497.688 2.607 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001290976738 1062858391 /nfs/dbraw/zinc/85/83/91/1062858391.db2.gz UJYZKXBPFUWWQH-QVKFZJNVSA-N 1 0 493.475 2.812 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287420783 1062860612 /nfs/dbraw/zinc/86/06/12/1062860612.db2.gz LLNZFJSIIOQOBF-HSZRJFAPSA-N 1 0 468.646 2.722 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287422257 1062862285 /nfs/dbraw/zinc/86/22/85/1062862285.db2.gz VVEOOWGUGWPUFF-NHCUHLMSSA-N 1 0 457.598 2.959 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C[NH+](C)C ZINC001290980248 1062864842 /nfs/dbraw/zinc/86/48/42/1062864842.db2.gz LLIMVSBKFCGVRZ-SFHVURJKSA-N 1 0 491.681 2.647 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(C)(C)C[NH+](C)C ZINC001290980247 1062864900 /nfs/dbraw/zinc/86/49/00/1062864900.db2.gz LLIMVSBKFCGVRZ-GOSISDBHSA-N 1 0 491.681 2.647 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001290981383 1062867403 /nfs/dbraw/zinc/86/74/03/1062867403.db2.gz URUNVLJQZKAXLB-RBUKOAKNSA-N 1 0 491.681 2.647 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001290984888 1062870122 /nfs/dbraw/zinc/87/01/22/1062870122.db2.gz BVXGMVDHHKXZGU-WMZOPIPTSA-N 1 0 456.522 2.559 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001290986821 1062874886 /nfs/dbraw/zinc/87/48/86/1062874886.db2.gz XBENSHOSQVMFEC-SFHVURJKSA-N 1 0 458.582 2.928 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287442143 1062875295 /nfs/dbraw/zinc/87/52/95/1062875295.db2.gz DEUYRFMMKOBVHC-WMZHIEFXSA-N 1 0 450.697 2.903 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001287442531 1062876573 /nfs/dbraw/zinc/87/65/73/1062876573.db2.gz KPKIJPHWSNVXPT-NRFANRHFSA-N 1 0 468.712 2.706 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001295062692 1062878126 /nfs/dbraw/zinc/87/81/26/1062878126.db2.gz XRGKUULGZHUGQM-INIZCTEOSA-N 1 0 479.000 2.905 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290988517 1062877902 /nfs/dbraw/zinc/87/79/02/1062877902.db2.gz IUDVRBGXLXYRFR-QZTJIDSGSA-N 1 0 463.671 2.524 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001287448848 1062885506 /nfs/dbraw/zinc/88/55/06/1062885506.db2.gz XSUMVCNQZGXTGH-FGZHOGPDSA-N 1 0 492.665 2.923 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998753 1062892259 /nfs/dbraw/zinc/89/22/59/1062892259.db2.gz PZWIQEDYIHMRBJ-IYWMVGAKSA-N 1 0 484.711 2.506 20 0 JFADRO C[C@@H]1C[C@@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001291008247 1062905469 /nfs/dbraw/zinc/90/54/69/1062905469.db2.gz MKARWHLBIDOQKB-QZTJIDSGSA-N 1 0 460.648 2.863 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001291009259 1062906278 /nfs/dbraw/zinc/90/62/78/1062906278.db2.gz CJRWQTUHFJFCPT-PMACEKPBSA-N 1 0 496.660 2.775 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009351 1062906425 /nfs/dbraw/zinc/90/64/25/1062906425.db2.gz DPZQRBAJQRNQHR-FCGDIQPGSA-N 1 0 472.725 2.588 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009531 1062906832 /nfs/dbraw/zinc/90/68/32/1062906832.db2.gz HORFCWYEJJGFNV-MESAYYPLSA-N 1 0 486.709 2.982 20 0 JFADRO CCN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001295079029 1062909169 /nfs/dbraw/zinc/90/91/69/1062909169.db2.gz YZQLBZIDNDBKAC-UHFFFAOYSA-N 1 0 460.667 2.818 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291010785 1062909660 /nfs/dbraw/zinc/90/96/60/1062909660.db2.gz AJHVAQWUWVCDBN-VXKWHMMOSA-N 1 0 487.693 2.577 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291010847 1062910459 /nfs/dbraw/zinc/91/04/59/1062910459.db2.gz BRFNQFANAJUAQA-PLACYPQZSA-N 1 0 467.680 2.554 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)Oc1cccc(F)c1 ZINC001287465093 1062910297 /nfs/dbraw/zinc/91/02/97/1062910297.db2.gz VGVRUIOHLXSFDP-HXUWFJFHSA-N 1 0 472.609 2.828 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291011181 1062911121 /nfs/dbraw/zinc/91/11/21/1062911121.db2.gz GURBGXARDRVJLS-YPAWHYETSA-N 1 0 496.722 2.750 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291011285 1062911624 /nfs/dbraw/zinc/91/16/24/1062911624.db2.gz IJWBQBHNBACGGN-BRWVUGGUSA-N 1 0 492.612 2.955 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291011287 1062911740 /nfs/dbraw/zinc/91/17/40/1062911740.db2.gz IJWBQBHNBACGGN-ZACQAIPSSA-N 1 0 492.612 2.955 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001291011856 1062913584 /nfs/dbraw/zinc/91/35/84/1062913584.db2.gz QPWSHMUNVCEIID-OALUTQOASA-N 1 0 469.634 2.520 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012479 1062916658 /nfs/dbraw/zinc/91/66/58/1062916658.db2.gz 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/nfs/dbraw/zinc/92/51/52/1062925152.db2.gz KTWDBONTRAAKEX-XJUOHMSHSA-N 1 0 489.686 2.891 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001287476478 1062929896 /nfs/dbraw/zinc/92/98/96/1062929896.db2.gz JEENLEUYNBCEJO-SFTDATJTSA-N 1 0 473.710 2.634 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001291018437 1062932243 /nfs/dbraw/zinc/93/22/43/1062932243.db2.gz GIXMLXSBEABKNE-WKDRNLAYSA-N 1 0 454.619 2.783 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CC[NH+]1CCCCC1 ZINC001287477148 1062933437 /nfs/dbraw/zinc/93/34/37/1062933437.db2.gz USGUUJVGXUQDGE-GOTSBHOMSA-N 1 0 473.710 2.779 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CC[NH+]1CCCCC1 ZINC001287477150 1062933514 /nfs/dbraw/zinc/93/35/14/1062933514.db2.gz USGUUJVGXUQDGE-PKTZIBPZSA-N 1 0 473.710 2.779 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC[NH+]1CCCCCC1 ZINC001287477598 1062934405 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C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc([C@@H]2CCCOC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291137327 1063194183 /nfs/dbraw/zinc/19/41/83/1063194183.db2.gz ORHFVHVEMOEFIU-WSTZPKSXSA-N 1 0 476.647 2.501 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291139039 1063201759 /nfs/dbraw/zinc/20/17/59/1063201759.db2.gz UXYZQOFSUYUUIR-ICSRJNTNSA-N 1 0 463.623 2.896 20 0 JFADRO CC(C)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 ZINC001291139893 1063205750 /nfs/dbraw/zinc/20/57/50/1063205750.db2.gz MUAXANKFNMYIIX-UYAOXDASSA-N 1 0 472.638 2.855 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)c2cccc(O)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141527 1063215732 /nfs/dbraw/zinc/21/57/32/1063215732.db2.gz PGXZPMQACPETPU-GUDVDZBRSA-N 1 0 478.663 2.912 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295326791 1063215896 /nfs/dbraw/zinc/21/58/96/1063215896.db2.gz BAKBRTMEQFWYGS-UHFFFAOYSA-N 1 0 498.720 2.929 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295327048 1063220286 /nfs/dbraw/zinc/22/02/86/1063220286.db2.gz LVWJBXDRUZMHRO-QFIPXVFZSA-N 1 0 494.644 2.617 20 0 JFADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC001291143781 1063223360 /nfs/dbraw/zinc/22/33/60/1063223360.db2.gz CDWMLAAWADJHJF-SFHVURJKSA-N 1 0 470.647 2.760 20 0 JFADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291143820 1063223453 /nfs/dbraw/zinc/22/34/53/1063223453.db2.gz CZOPYORZMQZUMD-HKBOAZHASA-N 1 0 492.665 2.932 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143796 1063223478 /nfs/dbraw/zinc/22/34/78/1063223478.db2.gz CREBCPURUORSHV-NJYVYQBISA-N 1 0 492.665 2.632 20 0 JFADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291143895 1063223865 /nfs/dbraw/zinc/22/38/65/1063223865.db2.gz FCKSOXVGQNBKTM-UXHICEINSA-N 1 0 492.665 2.599 20 0 JFADRO CC(C)OCCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144182 1063224860 /nfs/dbraw/zinc/22/48/60/1063224860.db2.gz KKEPVORWLXLXNB-HSZRJFAPSA-N 1 0 469.678 2.931 20 0 JFADRO C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291146067 1063230351 /nfs/dbraw/zinc/23/03/51/1063230351.db2.gz WKOWFQNHZZMWGH-SLFFLAALSA-N 1 0 453.653 2.654 20 0 JFADRO CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)CC1 ZINC001291150347 1063237864 /nfs/dbraw/zinc/23/78/64/1063237864.db2.gz AUQMKNGUQBAPEA-UHFFFAOYSA-N 1 0 460.648 2.918 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001291152369 1063241742 /nfs/dbraw/zinc/24/17/42/1063241742.db2.gz MQEDZLQVCSJGHP-MOPGFXCFSA-N 1 0 461.632 2.696 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295335040 1063248254 /nfs/dbraw/zinc/24/82/54/1063248254.db2.gz WZSNJSBBQUOVPY-VXKWHMMOSA-N 1 0 473.710 2.732 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295335089 1063249360 /nfs/dbraw/zinc/24/93/60/1063249360.db2.gz YLJAYGNKTUJWMZ-DEOSSOPVSA-N 1 0 496.704 2.519 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295335307 1063250896 /nfs/dbraw/zinc/25/08/96/1063250896.db2.gz SHMKECHXAFEKGQ-NRFANRHFSA-N 1 0 461.699 2.686 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)C(C)C)CC1 ZINC001295335587 1063253421 /nfs/dbraw/zinc/25/34/21/1063253421.db2.gz CAPZAERLIQQALO-UHFFFAOYSA-N 1 0 476.069 2.929 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295336347 1063257098 /nfs/dbraw/zinc/25/70/98/1063257098.db2.gz PCSREXFAFVSEEU-UHFFFAOYSA-N 1 0 467.662 2.812 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295337099 1063261618 /nfs/dbraw/zinc/26/16/18/1063261618.db2.gz BAKCAKKRHHFDIG-JOCHJYFZSA-N 1 0 494.644 2.535 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295337135 1063262136 /nfs/dbraw/zinc/26/21/36/1063262136.db2.gz CGRKZIMAOXPALH-FQEVSTJZSA-N 1 0 494.644 2.541 20 0 JFADRO C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291177285 1063265177 /nfs/dbraw/zinc/26/51/77/1063265177.db2.gz PYWLTCAYUKUPFZ-ICSRJNTNSA-N 1 0 458.582 2.785 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295338404 1063266120 /nfs/dbraw/zinc/26/61/20/1063266120.db2.gz ODSLUOKUVQEDLT-VXKWHMMOSA-N 1 0 475.726 2.978 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179759 1063268912 /nfs/dbraw/zinc/26/89/12/1063268912.db2.gz MDZQGZPVGCYKSR-OAQYLSRUSA-N 1 0 496.722 2.797 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001295340651 1063269151 /nfs/dbraw/zinc/26/91/51/1063269151.db2.gz YQFJFIZBUMGZMI-FGZHOGPDSA-N 1 0 473.710 2.904 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(Cc4ccccn4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001291179823 1063269340 /nfs/dbraw/zinc/26/93/40/1063269340.db2.gz NSOKORBESUHGNR-IBGZPJMESA-N 1 0 475.588 2.594 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001291179831 1063269472 /nfs/dbraw/zinc/26/94/72/1063269472.db2.gz NWABDPHKYNVEOZ-VQTJNVASSA-N 1 0 454.685 2.883 20 0 JFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342268 1063270346 /nfs/dbraw/zinc/27/03/46/1063270346.db2.gz JCNKUQDZGLGNPH-OSPHWJPCSA-N 1 0 457.575 2.879 20 0 JFADRO CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180151 1063271365 /nfs/dbraw/zinc/27/13/65/1063271365.db2.gz VCSMJKUJXBTREW-JOCHJYFZSA-N 1 0 453.635 2.737 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001291180460 1063272394 /nfs/dbraw/zinc/27/23/94/1063272394.db2.gz CHUPGVMWALRDLX-FQEVSTJZSA-N 1 0 462.639 2.577 20 0 JFADRO CC1CC[NH+](CCCCn2c(Cc3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001291180495 1063273094 /nfs/dbraw/zinc/27/30/94/1063273094.db2.gz DQXXBIYFHYIQNC-UHFFFAOYSA-N 1 0 474.675 2.789 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001291180908 1063273705 /nfs/dbraw/zinc/27/37/05/1063273705.db2.gz RDIQHYDVQJXSAA-UHFFFAOYSA-N 1 0 450.582 2.578 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001291181526 1063275280 /nfs/dbraw/zinc/27/52/80/1063275280.db2.gz KDWPNWXEAMGVGQ-MRXNPFEDSA-N 1 0 478.439 2.825 20 0 JFADRO CC1CC[NH+](CCCCn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001291181550 1063275712 /nfs/dbraw/zinc/27/57/12/1063275712.db2.gz LPOFFFZFVCKZCU-UHFFFAOYSA-N 1 0 485.599 2.597 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001291182167 1063277430 /nfs/dbraw/zinc/27/74/30/1063277430.db2.gz FVZORMJHDBXFKL-FQEVSTJZSA-N 1 0 492.665 2.972 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001291182021 1063277507 /nfs/dbraw/zinc/27/75/07/1063277507.db2.gz AKGUJMRESBJCNC-OAQYLSRUSA-N 1 0 460.667 2.989 20 0 JFADRO CC1CC[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001291182429 1063277865 /nfs/dbraw/zinc/27/78/65/1063277865.db2.gz MVJUFLMATGUWMJ-SFHVURJKSA-N 1 0 460.573 2.971 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001291182708 1063278324 /nfs/dbraw/zinc/27/83/24/1063278324.db2.gz VDCLWHJXBYBSEA-NRFANRHFSA-N 1 0 467.680 2.555 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001295344765 1063278758 /nfs/dbraw/zinc/27/87/58/1063278758.db2.gz OKCQKYPPHZKJMM-UHFFFAOYSA-N 1 0 461.699 2.733 20 0 JFADRO CC1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001291183429 1063280368 /nfs/dbraw/zinc/28/03/68/1063280368.db2.gz RCUQXYNXKRQMPK-IBGZPJMESA-N 1 0 458.582 2.785 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 ZINC001291184132 1063282404 /nfs/dbraw/zinc/28/24/04/1063282404.db2.gz OUCXXDUPMJDNLL-UHFFFAOYSA-N 1 0 467.039 2.739 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001291184187 1063282580 /nfs/dbraw/zinc/28/25/80/1063282580.db2.gz QSDBGZZAHJEKLL-KOSHJBKYSA-N 1 0 458.582 2.991 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295345289 1063282785 /nfs/dbraw/zinc/28/27/85/1063282785.db2.gz ZDNFZVKJZHPKJD-UHFFFAOYSA-N 1 0 461.699 2.589 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291184545 1063283345 /nfs/dbraw/zinc/28/33/45/1063283345.db2.gz DCYKMVGDYCTUSQ-FQEVSTJZSA-N 1 0 463.623 2.753 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295345596 1063284034 /nfs/dbraw/zinc/28/40/34/1063284034.db2.gz HIFCRUUHEJYIIY-IBGZPJMESA-N 1 0 466.634 2.971 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001291185309 1063285145 /nfs/dbraw/zinc/28/51/45/1063285145.db2.gz ZPJMSLCQMBSKDY-UXHICEINSA-N 1 0 489.665 2.702 20 0 JFADRO CC1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001291185540 1063285705 /nfs/dbraw/zinc/28/57/05/1063285705.db2.gz IEQYVYRYQKNDGH-FQEVSTJZSA-N 1 0 489.665 2.578 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001291185529 1063285888 /nfs/dbraw/zinc/28/58/88/1063285888.db2.gz HUGLBIVCXFLSDU-SFHVURJKSA-N 1 0 479.551 2.501 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCC(C)CC1 ZINC001291185781 1063286763 /nfs/dbraw/zinc/28/67/63/1063286763.db2.gz PVDUDPNULMFBSG-LJQANCHMSA-N 1 0 472.659 2.951 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295346549 1063287696 /nfs/dbraw/zinc/28/76/96/1063287696.db2.gz ZPYKVVJGPLMUFR-UHFFFAOYSA-N 1 0 464.618 2.967 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001295347228 1063288735 /nfs/dbraw/zinc/28/87/35/1063288735.db2.gz FGNSLCQUOULYEX-UHFFFAOYSA-N 1 0 469.634 2.640 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2cnccn2)C[C@H](C)O1 ZINC001291186401 1063290198 /nfs/dbraw/zinc/29/01/98/1063290198.db2.gz DTDKRYNDJWUEEW-KDURUIRLSA-N 1 0 450.591 2.697 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295348158 1063290265 /nfs/dbraw/zinc/29/02/65/1063290265.db2.gz LPLMOWVMAZPGEL-LJQANCHMSA-N 1 0 479.633 2.869 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295348157 1063290320 /nfs/dbraw/zinc/29/03/20/1063290320.db2.gz LPLMOWVMAZPGEL-IBGZPJMESA-N 1 0 479.633 2.869 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC001291186743 1063292630 /nfs/dbraw/zinc/29/26/30/1063292630.db2.gz JOCYTFLGPGUBJK-KCZVDYSFSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C[C@@H](C)O1 ZINC001291187004 1063294241 /nfs/dbraw/zinc/29/42/41/1063294241.db2.gz NJUDNVYPRCUFSK-QZTJIDSGSA-N 1 0 465.602 2.896 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295350339 1063294161 /nfs/dbraw/zinc/29/41/61/1063294161.db2.gz ALTMOCUDHMYSJP-QHCPKHFHSA-N 1 0 483.661 2.866 20 0 JFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187335 1063294561 /nfs/dbraw/zinc/29/45/61/1063294561.db2.gz SLVOZRRLYDBMPM-FXELSEDVSA-N 1 0 450.672 2.835 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187353 1063295790 /nfs/dbraw/zinc/29/57/90/1063295790.db2.gz SVACXBWNHSOFHH-GUDVDZBRSA-N 1 0 488.608 2.771 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187706 1063297303 /nfs/dbraw/zinc/29/73/03/1063297303.db2.gz YFUFARHZYLGFGX-QRVBRYPASA-N 1 0 484.711 2.793 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291187774 1063298253 /nfs/dbraw/zinc/29/82/53/1063298253.db2.gz ZGJNYHYKEQVXOB-HSALFYBXSA-N 1 0 496.722 2.589 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291187959 1063298773 /nfs/dbraw/zinc/29/87/73/1063298773.db2.gz BRPMQZORZJEEKP-HDICACEKSA-N 1 0 472.609 2.598 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001291188030 1063299636 /nfs/dbraw/zinc/29/96/36/1063299636.db2.gz DEDBWBWCAOPDLG-BGYRXZFFSA-N 1 0 454.619 2.925 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291188129 1063300548 /nfs/dbraw/zinc/30/05/48/1063300548.db2.gz FZHBHQCBMKUVJT-OALUTQOASA-N 1 0 477.604 2.539 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001291188184 1063301426 /nfs/dbraw/zinc/30/14/26/1063301426.db2.gz GMJRTQWUMMAOPY-KDURUIRLSA-N 1 0 450.591 2.578 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2cnccn2)C[C@H](C)O1 ZINC001291188291 1063302110 /nfs/dbraw/zinc/30/21/10/1063302110.db2.gz HVKMVUOKWBPZHC-PMACEKPBSA-N 1 0 464.618 2.621 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295353973 1063305789 /nfs/dbraw/zinc/30/57/89/1063305789.db2.gz DKNRIPYGYGQNLF-OYRHEFFESA-N 1 0 477.698 2.950 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295355557 1063309301 /nfs/dbraw/zinc/30/93/01/1063309301.db2.gz NBCKSCSBPZYGMF-VXKWHMMOSA-N 1 0 475.682 2.734 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295356026 1063311037 /nfs/dbraw/zinc/31/10/37/1063311037.db2.gz YQLYUZMRPOPFHS-JOCHJYFZSA-N 1 0 485.681 2.598 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001291189621 1063311311 /nfs/dbraw/zinc/31/13/11/1063311311.db2.gz FBEHDQSWYOIJMB-KRWDZBQOSA-N 1 0 453.978 2.792 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 ZINC001295358136 1063314372 /nfs/dbraw/zinc/31/43/72/1063314372.db2.gz HQRKNCWLHICRJT-SFHVURJKSA-N 1 0 465.606 2.798 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001295358038 1063314400 /nfs/dbraw/zinc/31/44/00/1063314400.db2.gz GBFKETDXILWZEH-SFHVURJKSA-N 1 0 470.618 2.952 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001295358375 1063314909 /nfs/dbraw/zinc/31/49/09/1063314909.db2.gz JDRIICPERZXMIJ-HXUWFJFHSA-N 1 0 483.661 2.888 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001295358823 1063316426 /nfs/dbraw/zinc/31/64/26/1063316426.db2.gz OIGJQOXQLSEHCU-NRFANRHFSA-N 1 0 487.693 2.719 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001295358978 1063316699 /nfs/dbraw/zinc/31/66/99/1063316699.db2.gz SOYJTDWFVQMOPU-LJQANCHMSA-N 1 0 499.635 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001295359122 1063318975 /nfs/dbraw/zinc/31/89/75/1063318975.db2.gz VWQYKBSJLSATNJ-MRXNPFEDSA-N 1 0 451.019 2.838 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295360541 1063321450 /nfs/dbraw/zinc/32/14/50/1063321450.db2.gz FHFUGLDCEPWEFM-YLJYHZDGSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295362931 1063322992 /nfs/dbraw/zinc/32/29/92/1063322992.db2.gz SKPMFALRMITMFL-AWEZNQCLSA-N 1 0 487.468 2.779 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001295362607 1063323135 /nfs/dbraw/zinc/32/31/35/1063323135.db2.gz QJAYMNANYKHYNM-LSDHHAIUSA-N 1 0 466.428 2.858 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295362933 1063323520 /nfs/dbraw/zinc/32/35/20/1063323520.db2.gz SKPMFALRMITMFL-CQSZACIVSA-N 1 0 487.468 2.779 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295363171 1063323569 /nfs/dbraw/zinc/32/35/69/1063323569.db2.gz AIYXIROZTOXWDQ-MZNJEOGPSA-N 1 0 456.591 2.552 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1CC1([NH+](C)C)CCCCC1 ZINC001291193799 1063323727 /nfs/dbraw/zinc/32/37/27/1063323727.db2.gz JPZVQRQVRWGANC-FQEVSTJZSA-N 1 0 454.619 2.831 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001295363461 1063324247 /nfs/dbraw/zinc/32/42/47/1063324247.db2.gz AMSRTCPNBNCOMA-NHCUHLMSSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295363407 1063324455 /nfs/dbraw/zinc/32/44/55/1063324455.db2.gz VXDABHIQIRINHG-PBHICJAKSA-N 1 0 493.454 2.806 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001295365318 1063327801 /nfs/dbraw/zinc/32/78/01/1063327801.db2.gz GXLSTPVCXSIVGM-UYAOXDASSA-N 1 0 485.658 2.806 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295369295 1063334131 /nfs/dbraw/zinc/33/41/31/1063334131.db2.gz CMABGKFYJBIAAH-FDDCHVKYSA-N 1 0 461.632 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295370999 1063336829 /nfs/dbraw/zinc/33/68/29/1063336829.db2.gz OEBSJPGQSZVJDM-IMSXRSKXSA-N 1 0 497.688 2.673 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCC(=O)Nc1ccccc1 ZINC001291196264 1063337848 /nfs/dbraw/zinc/33/78/48/1063337848.db2.gz IBMSNXIBCHAIAI-IBGZPJMESA-N 1 0 467.618 2.756 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001295373287 1063341076 /nfs/dbraw/zinc/34/10/76/1063341076.db2.gz LSGDMCOGFSOWDS-MSOLQXFVSA-N 1 0 487.649 2.867 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291197241 1063341751 /nfs/dbraw/zinc/34/17/51/1063341751.db2.gz ADSDTOMCYYXBRU-RTBURBONSA-N 1 0 496.616 2.537 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001295373922 1063342043 /nfs/dbraw/zinc/34/20/43/1063342043.db2.gz UGXSLFLZZVYEIA-MSOLQXFVSA-N 1 0 467.618 2.926 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001291197383 1063343020 /nfs/dbraw/zinc/34/30/20/1063343020.db2.gz DCZCHOXIUMHCQQ-CVEARBPZSA-N 1 0 469.512 2.812 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001291197385 1063343092 /nfs/dbraw/zinc/34/30/92/1063343092.db2.gz DCZCHOXIUMHCQQ-HZPDHXFCSA-N 1 0 469.512 2.812 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001295374293 1063343192 /nfs/dbraw/zinc/34/31/92/1063343192.db2.gz WOMYXXJHLBKDFC-MSOLQXFVSA-N 1 0 467.618 2.926 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001295375123 1063343566 /nfs/dbraw/zinc/34/35/66/1063343566.db2.gz ZJBJRPJNSUBYOJ-GHTZIAJQSA-N 1 0 481.601 2.672 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295375162 1063344209 /nfs/dbraw/zinc/34/42/09/1063344209.db2.gz ZXTGQPVMOLJXIO-SCTDSRPQSA-N 1 0 460.627 2.758 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001295376169 1063344695 /nfs/dbraw/zinc/34/46/95/1063344695.db2.gz KAYYPIHKBAYUKS-UZLBHIALSA-N 1 0 461.561 2.564 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC001295376464 1063345310 /nfs/dbraw/zinc/34/53/10/1063345310.db2.gz MYTWAKJKFJJOTP-BAGYTPMASA-N 1 0 454.619 2.798 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC001295376465 1063345331 /nfs/dbraw/zinc/34/53/31/1063345331.db2.gz MYTWAKJKFJJOTP-CEMLEFRQSA-N 1 0 454.619 2.798 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001295378512 1063348056 /nfs/dbraw/zinc/34/80/56/1063348056.db2.gz GBJSFNXKSFJZIO-DENIHFKCSA-N 1 0 472.609 2.566 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCCC2)CCN1CC(F)(F)F ZINC001291198444 1063348542 /nfs/dbraw/zinc/34/85/42/1063348542.db2.gz WZWTUWVORFCSAG-GOSISDBHSA-N 1 0 494.566 2.874 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291198420 1063348736 /nfs/dbraw/zinc/34/87/36/1063348736.db2.gz WUXDNVODEFTJKY-IBGZPJMESA-N 1 0 498.632 2.857 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001295378712 1063349001 /nfs/dbraw/zinc/34/90/01/1063349001.db2.gz JAYPHZVKWIFUDX-TXTKFYIRSA-N 1 0 458.626 2.895 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001295378707 1063349324 /nfs/dbraw/zinc/34/93/24/1063349324.db2.gz JAKAUCVAZKFIEE-QFUCXCTJSA-N 1 0 479.622 2.628 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001295379194 1063349863 /nfs/dbraw/zinc/34/98/63/1063349863.db2.gz LEMAGFWOXIDDMO-IFMALSPDSA-N 1 0 470.618 2.971 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379475 1063351031 /nfs/dbraw/zinc/35/10/31/1063351031.db2.gz LZWQTRPTBNEMLS-NHCUHLMSSA-N 1 0 474.675 2.546 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001295380028 1063352289 /nfs/dbraw/zinc/35/22/89/1063352289.db2.gz OLZFHSPHEPSWCW-QRVBRYPASA-N 1 0 455.669 2.694 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001295381252 1063353825 /nfs/dbraw/zinc/35/38/25/1063353825.db2.gz UKFLKYUGGLJGEW-IBGZPJMESA-N 1 0 482.608 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001295381683 1063354311 /nfs/dbraw/zinc/35/43/11/1063354311.db2.gz VYHDLVOHBRTGME-OALUTQOASA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001295381719 1063354348 /nfs/dbraw/zinc/35/43/48/1063354348.db2.gz WHHSVNCPROAKMM-OALUTQOASA-N 1 0 460.598 2.987 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1N1CCOCC1 ZINC001291201645 1063357096 /nfs/dbraw/zinc/35/70/96/1063357096.db2.gz YTTHGUHXDAQOFO-NQIIRXRSSA-N 1 0 469.634 2.874 20 0 JFADRO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383929 1063357621 /nfs/dbraw/zinc/35/76/21/1063357621.db2.gz FYDRBFZTINAPJT-JBACZVJFSA-N 1 0 458.603 2.654 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001295384248 1063359076 /nfs/dbraw/zinc/35/90/76/1063359076.db2.gz FVPMYBCURQPJHE-SFHVURJKSA-N 1 0 455.611 2.945 20 0 JFADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c12 ZINC001295384271 1063359254 /nfs/dbraw/zinc/35/92/54/1063359254.db2.gz ISLDQWYUGREPPC-FQEVSTJZSA-N 1 0 454.619 2.997 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295385097 1063360288 /nfs/dbraw/zinc/36/02/88/1063360288.db2.gz JQKMVSZRKQGBSZ-UXHICEINSA-N 1 0 474.654 2.973 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001295385297 1063360787 /nfs/dbraw/zinc/36/07/87/1063360787.db2.gz LBVBFKWRRSYTFT-QHCPKHFHSA-N 1 0 497.688 2.758 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001295385109 1063360938 /nfs/dbraw/zinc/36/09/38/1063360938.db2.gz JVDQFAQYDWHEJU-MRXNPFEDSA-N 1 0 479.423 2.628 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295385572 1063361410 /nfs/dbraw/zinc/36/14/10/1063361410.db2.gz MZXHIVBWJKJYEB-FPOVZHCZSA-N 1 0 463.648 2.828 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001295387285 1063364143 /nfs/dbraw/zinc/36/41/43/1063364143.db2.gz ZSUMSQBSORCJFS-PMACEKPBSA-N 1 0 456.591 2.845 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001291205761 1063365261 /nfs/dbraw/zinc/36/52/61/1063365261.db2.gz NOHDCULRIQQBLI-MOPGFXCFSA-N 1 0 492.690 2.749 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@@H](C)[NH+](C)C ZINC001291205665 1063365306 /nfs/dbraw/zinc/36/53/06/1063365306.db2.gz MBWOOIYIFQUSAZ-RBSFLKMASA-N 1 0 499.479 2.725 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295388679 1063366048 /nfs/dbraw/zinc/36/60/48/1063366048.db2.gz JRBNOHAIHVNDOW-KNQAVFIVSA-N 1 0 453.635 2.948 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001291205978 1063366497 /nfs/dbraw/zinc/36/64/97/1063366497.db2.gz QQBDCRRVVUPLHE-IKGGRYGDSA-N 1 0 484.717 2.729 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001295389681 1063367761 /nfs/dbraw/zinc/36/77/61/1063367761.db2.gz GIBPVDDYZTZWDQ-RTBURBONSA-N 1 0 458.582 2.928 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206458 1063368876 /nfs/dbraw/zinc/36/88/76/1063368876.db2.gz WWUYSIXGHIGSCJ-ZWKOTPCHSA-N 1 0 496.628 2.991 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 ZINC001295390537 1063370032 /nfs/dbraw/zinc/37/00/32/1063370032.db2.gz PYSCDDYKDFGVRT-SFTDATJTSA-N 1 0 493.697 2.849 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1)c1ccco1 ZINC001295390764 1063370781 /nfs/dbraw/zinc/37/07/81/1063370781.db2.gz ACYSMVIDRNJHDJ-IBGZPJMESA-N 1 0 452.563 2.617 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295390921 1063372240 /nfs/dbraw/zinc/37/22/40/1063372240.db2.gz SRZSJIJHYGBCIX-UVPKRVSESA-N 1 0 492.665 2.775 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC1)c1ccsc1 ZINC001295391665 1063375517 /nfs/dbraw/zinc/37/55/17/1063375517.db2.gz GSJGPJHWNVBROL-GOSISDBHSA-N 1 0 455.588 2.907 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391694 1063375640 /nfs/dbraw/zinc/37/56/40/1063375640.db2.gz HEIRBXGTAFQCIZ-AZUAARDMSA-N 1 0 471.606 2.844 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001295392982 1063377844 /nfs/dbraw/zinc/37/78/44/1063377844.db2.gz NUTXPWVGDZRJQK-DZNWXHPMSA-N 1 0 475.609 2.969 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001295392983 1063377864 /nfs/dbraw/zinc/37/78/64/1063377864.db2.gz NUTXPWVGDZRJQK-LSYVANFTSA-N 1 0 475.609 2.969 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 ZINC001295393239 1063378610 /nfs/dbraw/zinc/37/86/10/1063378610.db2.gz PHJSCZGYQUYLBR-JOCHJYFZSA-N 1 0 483.661 2.658 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C ZINC001291208183 1063378571 /nfs/dbraw/zinc/37/85/71/1063378571.db2.gz ULMKROOZAIFKKF-KZNAEPCWSA-N 1 0 460.714 2.727 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1)c1ccsc1 ZINC001295393674 1063379263 /nfs/dbraw/zinc/37/92/63/1063379263.db2.gz UEDDPOUSLAENKW-PMACEKPBSA-N 1 0 485.662 2.994 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295394407 1063380903 /nfs/dbraw/zinc/38/09/03/1063380903.db2.gz YZEDFRZLOBQIJL-NRFANRHFSA-N 1 0 485.633 2.637 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001295394456 1063381508 /nfs/dbraw/zinc/38/15/08/1063381508.db2.gz ZQVGYAOCRLTLRH-BURNTYAHSA-N 1 0 478.682 2.864 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291208599 1063381600 /nfs/dbraw/zinc/38/16/00/1063381600.db2.gz ZMWXKBAGOMXOQG-YOUFYPILSA-N 1 0 482.695 2.547 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395909 1063382265 /nfs/dbraw/zinc/38/22/65/1063382265.db2.gz ANCLUWGDDZHVMG-UWJYYQICSA-N 1 0 459.664 2.520 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1)c1ccco1 ZINC001295397395 1063383655 /nfs/dbraw/zinc/38/36/55/1063383655.db2.gz MOWNQTWGSXCLFS-MJGOQNOKSA-N 1 0 452.559 2.941 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccsc1 ZINC001295398035 1063384939 /nfs/dbraw/zinc/38/49/39/1063384939.db2.gz AXAAZJUKMFOQJJ-JOCHJYFZSA-N 1 0 496.685 2.695 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291209809 1063385486 /nfs/dbraw/zinc/38/54/86/1063385486.db2.gz RNEQDUMCOLKGKF-SBHAEUEKSA-N 1 0 488.608 2.725 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)c1ccco1 ZINC001295400210 1063386075 /nfs/dbraw/zinc/38/60/75/1063386075.db2.gz ZOMSADBENUXLAT-QFIPXVFZSA-N 1 0 471.650 2.834 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001295405749 1063394237 /nfs/dbraw/zinc/39/42/37/1063394237.db2.gz TYEZVJBMZJLHRJ-YTFSRNRJSA-N 1 0 470.618 2.554 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C)c1ccco1 ZINC001295407343 1063398487 /nfs/dbraw/zinc/39/84/87/1063398487.db2.gz SZZOCBKSXWOIKC-PXCRPINLSA-N 1 0 494.662 2.522 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccsc1 ZINC001295407561 1063399112 /nfs/dbraw/zinc/39/91/12/1063399112.db2.gz WQKGMOPHDPUQMS-RBUKOAKNSA-N 1 0 462.664 2.963 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC[NH+](C)C)CCO1 ZINC001291213135 1063401437 /nfs/dbraw/zinc/40/14/37/1063401437.db2.gz ABICVVHGUCSFND-CQSZACIVSA-N 1 0 456.360 2.650 20 0 JFADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@H+](C)C1CC1 ZINC001291213341 1063404379 /nfs/dbraw/zinc/40/43/79/1063404379.db2.gz DEDLHYGPBZXJSP-ROUUACIJSA-N 1 0 490.674 2.682 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1)[NH+]1CCCC1 ZINC001291214370 1063413409 /nfs/dbraw/zinc/41/34/09/1063413409.db2.gz VFPJYINZZJTXAY-NQIIRXRSSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291214437 1063414349 /nfs/dbraw/zinc/41/43/49/1063414349.db2.gz WQXDUKKVQGOWOO-FUHIMQAGSA-N 1 0 464.561 2.654 20 0 JFADRO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cn1 ZINC001295414553 1063418114 /nfs/dbraw/zinc/41/81/14/1063418114.db2.gz ZSMCFZVOHOYJBX-FQEVSTJZSA-N 1 0 464.618 2.787 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)CC(C)(C)O1 ZINC001291214790 1063419528 /nfs/dbraw/zinc/41/95/28/1063419528.db2.gz DSGNVTCHEUUGDH-SFHVURJKSA-N 1 0 461.632 2.838 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC001291215508 1063427106 /nfs/dbraw/zinc/42/71/06/1063427106.db2.gz QJHCHTXTXZPCMZ-DYESRHJHSA-N 1 0 461.632 2.693 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCOCC[NH+](C)C)CCCO1 ZINC001291217528 1063438715 /nfs/dbraw/zinc/43/87/15/1063438715.db2.gz DFYBPQZBJCHCDU-AWEZNQCLSA-N 1 0 458.426 2.963 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291221212 1063451136 /nfs/dbraw/zinc/45/11/36/1063451136.db2.gz RFOWXMXARNVALO-MRXNPFEDSA-N 1 0 499.056 2.988 20 0 JFADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291222114 1063457211 /nfs/dbraw/zinc/45/72/11/1063457211.db2.gz IRILKZNCWPBFAD-KGLIPLIRSA-N 1 0 479.398 2.996 20 0 JFADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291222116 1063457266 /nfs/dbraw/zinc/45/72/66/1063457266.db2.gz IRILKZNCWPBFAD-ZIAGYGMSSA-N 1 0 479.398 2.996 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001291222793 1063460129 /nfs/dbraw/zinc/46/01/29/1063460129.db2.gz UINWGMXEJXQYCW-FZKQIMNGSA-N 1 0 479.398 2.854 20 0 JFADRO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001295460423 1063460649 /nfs/dbraw/zinc/46/06/49/1063460649.db2.gz HYHWUWUVDQWKMD-HDICACEKSA-N 1 0 450.628 2.742 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)CC(=O)N1C ZINC001291222931 1063460742 /nfs/dbraw/zinc/46/07/42/1063460742.db2.gz XAKDKQBKBLLTDU-CQSZACIVSA-N 1 0 465.371 2.609 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)CC1 ZINC001295462631 1063462648 /nfs/dbraw/zinc/46/26/48/1063462648.db2.gz DSVVOJXQXOQKSB-OAHLLOKOSA-N 1 0 470.590 2.525 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC(C)C)CC1 ZINC001295464054 1063465830 /nfs/dbraw/zinc/46/58/30/1063465830.db2.gz AIKPIGXLKCASAX-UHFFFAOYSA-N 1 0 456.591 2.899 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)N(C)C)CC1 ZINC001295464222 1063465880 /nfs/dbraw/zinc/46/58/80/1063465880.db2.gz CUFHCGVTLFSMJS-UHFFFAOYSA-N 1 0 458.607 2.751 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CCOCC2)CC1 ZINC001295464691 1063466590 /nfs/dbraw/zinc/46/65/90/1063466590.db2.gz DJTPRCWPSMGSEM-UHFFFAOYSA-N 1 0 495.466 2.898 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC(F)(F)F)CC1 ZINC001295464819 1063468463 /nfs/dbraw/zinc/46/84/63/1063468463.db2.gz MGMUQQOPRUHMQT-UHFFFAOYSA-N 1 0 498.550 2.951 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)CC1 ZINC001295465400 1063469080 /nfs/dbraw/zinc/46/90/80/1063469080.db2.gz LAZCKDUQCVDTTH-UHFFFAOYSA-N 1 0 480.440 2.652 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCS(=O)(=O)N(C)C)CC1 ZINC001295465542 1063470300 /nfs/dbraw/zinc/47/03/00/1063470300.db2.gz YXOXJWZNFJAHLM-UHFFFAOYSA-N 1 0 499.081 2.809 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)CC1 ZINC001295470371 1063474813 /nfs/dbraw/zinc/47/48/13/1063474813.db2.gz DACIRIHWSIDCKK-UHFFFAOYSA-N 1 0 467.618 2.929 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)CC1 ZINC001295470349 1063474849 /nfs/dbraw/zinc/47/48/49/1063474849.db2.gz CIGOFJXVHITKSM-OAQYLSRUSA-N 1 0 456.639 2.749 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 ZINC001295473643 1063478594 /nfs/dbraw/zinc/47/85/94/1063478594.db2.gz SHYIERUGGPJLRI-LJQANCHMSA-N 1 0 461.632 2.548 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)CC1 ZINC001295474066 1063480411 /nfs/dbraw/zinc/48/04/11/1063480411.db2.gz YPZUCYHKLXDAIT-LJQANCHMSA-N 1 0 467.680 2.698 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@H]2OC)CC1 ZINC001295474740 1063482251 /nfs/dbraw/zinc/48/22/51/1063482251.db2.gz GLYLYIZTCCSAEK-AZUAARDMSA-N 1 0 490.674 2.632 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001295479287 1063487535 /nfs/dbraw/zinc/48/75/35/1063487535.db2.gz CUPMXUPPZRJGCP-UHFFFAOYSA-N 1 0 482.608 2.765 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC001295479676 1063488464 /nfs/dbraw/zinc/48/84/64/1063488464.db2.gz HZQDAHWMVZECRI-UHFFFAOYSA-N 1 0 476.025 2.568 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291232164 1063489344 /nfs/dbraw/zinc/48/93/44/1063489344.db2.gz ICRAEGUNPGSHSL-GOSISDBHSA-N 1 0 460.648 2.864 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC2(C)COC2)CC1 ZINC001295480463 1063490293 /nfs/dbraw/zinc/49/02/93/1063490293.db2.gz MLZVLSJTUGZAEF-IBGZPJMESA-N 1 0 488.608 2.584 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC2(c3ccccc3C)CCOCC2)CC1 ZINC001295481039 1063492590 /nfs/dbraw/zinc/49/25/90/1063492590.db2.gz SAHMRZCFSHISBC-UHFFFAOYSA-N 1 0 468.646 2.634 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295481746 1063493758 /nfs/dbraw/zinc/49/37/58/1063493758.db2.gz XEPXMQLIFDLIHZ-DEOSSOPVSA-N 1 0 477.053 2.953 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCOc2ccc(C)cc2)CC1 ZINC001295481895 1063495576 /nfs/dbraw/zinc/49/55/76/1063495576.db2.gz BSOCXIJRGFRLKS-UHFFFAOYSA-N 1 0 479.629 2.661 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001291234680 1063495600 /nfs/dbraw/zinc/49/56/00/1063495600.db2.gz AAQADOADYCBTIE-OALUTQOASA-N 1 0 453.591 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2sccc2C)CC1 ZINC001295481967 1063495740 /nfs/dbraw/zinc/49/57/40/1063495740.db2.gz CRZSBKTWLCEMLP-UHFFFAOYSA-N 1 0 455.632 2.692 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295482205 1063496934 /nfs/dbraw/zinc/49/69/34/1063496934.db2.gz GBIIOQVKIJJTCR-UHFFFAOYSA-N 1 0 482.633 2.608 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001295482215 1063497826 /nfs/dbraw/zinc/49/78/26/1063497826.db2.gz GGHNGJXENGFKLG-SFHVURJKSA-N 1 0 461.561 2.766 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291237116 1063502044 /nfs/dbraw/zinc/50/20/44/1063502044.db2.gz RMQCUHFHIMSJTH-HKUYNNGSSA-N 1 0 470.622 2.959 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291238119 1063505032 /nfs/dbraw/zinc/50/50/32/1063505032.db2.gz JWHRFSOEQWTPNX-SFHVURJKSA-N 1 0 470.622 2.913 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2C[C@H]2C)CC1 ZINC001295482716 1063505234 /nfs/dbraw/zinc/50/52/34/1063505234.db2.gz YJEONSHAEINALY-MOPGFXCFSA-N 1 0 470.618 2.609 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295482736 1063505573 /nfs/dbraw/zinc/50/55/73/1063505573.db2.gz YXXZTWAIJPWPSK-OFNKIYASSA-N 1 0 472.634 2.898 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295482735 1063505817 /nfs/dbraw/zinc/50/58/17/1063505817.db2.gz YXXZTWAIJPWPSK-NZQKXSOJSA-N 1 0 472.634 2.898 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)C1 ZINC001291238449 1063506729 /nfs/dbraw/zinc/50/67/29/1063506729.db2.gz QQJOYPJZKYHSSZ-QGZVFWFLSA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(OC(F)F)cc2)CC1 ZINC001295483381 1063507218 /nfs/dbraw/zinc/50/72/18/1063507218.db2.gz CUVZGVLYKGBPPZ-UHFFFAOYSA-N 1 0 462.545 2.796 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295484396 1063510586 /nfs/dbraw/zinc/51/05/86/1063510586.db2.gz NCFIAOWIADGTMR-WIYYLYMNSA-N 1 0 487.649 2.919 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2c(C)coc2C)CC1 ZINC001295484462 1063511392 /nfs/dbraw/zinc/51/13/92/1063511392.db2.gz NWXBHCOIAUFERV-OAQYLSRUSA-N 1 0 458.607 2.768 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241232 1063511430 /nfs/dbraw/zinc/51/14/30/1063511430.db2.gz LSAPJHFJJKJLTG-AYOQOUSVSA-N 1 0 497.541 2.744 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCCC2(C)C)CC1 ZINC001295484628 1063511765 /nfs/dbraw/zinc/51/17/65/1063511765.db2.gz PPUPLCWNHCVECS-SANMLTNESA-N 1 0 483.661 2.580 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC1 ZINC001295484712 1063512400 /nfs/dbraw/zinc/51/24/00/1063512400.db2.gz QPCAAEWNYWRJDN-GOSISDBHSA-N 1 0 490.649 2.682 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)S1 ZINC001291241804 1063513911 /nfs/dbraw/zinc/51/39/11/1063513911.db2.gz SRVNMLNYNDZYIA-QKLQHJQFSA-N 1 0 458.632 2.548 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001295490460 1063516569 /nfs/dbraw/zinc/51/65/69/1063516569.db2.gz SFGPDUVKLZPJOP-UHFFFAOYSA-N 1 0 463.623 2.896 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 ZINC001295490589 1063517261 /nfs/dbraw/zinc/51/72/61/1063517261.db2.gz AHZIENSOLQAYAF-RUZDIDTESA-N 1 0 474.650 2.585 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(C)(C)OC)CC1 ZINC001295490754 1063518420 /nfs/dbraw/zinc/51/84/20/1063518420.db2.gz HEUKDMKDWZILEK-UHFFFAOYSA-N 1 0 478.588 2.563 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295490768 1063518641 /nfs/dbraw/zinc/51/86/41/1063518641.db2.gz HQAXVPHMPRISAK-HSZRJFAPSA-N 1 0 482.673 2.869 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C)c2)CC1 ZINC001295490932 1063519981 /nfs/dbraw/zinc/51/99/81/1063519981.db2.gz JUUFYDHYFFEAKO-UHFFFAOYSA-N 1 0 461.614 2.611 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCc2ccsc2)CC1 ZINC001295491000 1063520483 /nfs/dbraw/zinc/52/04/83/1063520483.db2.gz MCXRVJXOLWOVAP-UHFFFAOYSA-N 1 0 467.643 2.559 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001295491199 1063521742 /nfs/dbraw/zinc/52/17/42/1063521742.db2.gz QLWIPCBNQIEEHH-IFMALSPDSA-N 1 0 470.618 2.588 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(F)cc2)CC1 ZINC001295491614 1063523596 /nfs/dbraw/zinc/52/35/96/1063523596.db2.gz WEISRAWLWMPGDH-UHFFFAOYSA-N 1 0 479.604 2.636 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295491615 1063523787 /nfs/dbraw/zinc/52/37/87/1063523787.db2.gz WFABEYYLSUCLBA-GOSISDBHSA-N 1 0 459.639 2.876 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2OCC[C@H]2C)CC1 ZINC001295491835 1063524186 /nfs/dbraw/zinc/52/41/86/1063524186.db2.gz XBAIRZSATAIVPY-FYYLOGMGSA-N 1 0 468.646 2.593 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295491881 1063524802 /nfs/dbraw/zinc/52/48/02/1063524802.db2.gz YKFJKBWBNSNHCI-RUZDIDTESA-N 1 0 489.064 2.782 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)NC)CC2)c1 ZINC001295492977 1063526850 /nfs/dbraw/zinc/52/68/50/1063526850.db2.gz IOBULVYCLUKWHR-UHFFFAOYSA-N 1 0 462.602 2.692 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)cc1 ZINC001295493048 1063526925 /nfs/dbraw/zinc/52/69/25/1063526925.db2.gz FVHPUGNHRDXAGT-XMMPIXPASA-N 1 0 495.672 2.709 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(C)C)C2)cc1 ZINC001295494173 1063528855 /nfs/dbraw/zinc/52/88/55/1063528855.db2.gz LQSCUIRTHHSXDZ-DHIUTWEWSA-N 1 0 489.686 2.932 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](C)(C(=O)NC)C2)c1 ZINC001295499677 1063532784 /nfs/dbraw/zinc/53/27/84/1063532784.db2.gz CSUIXCVNMDFFDF-PXDATVDWSA-N 1 0 454.619 2.982 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295499748 1063532841 /nfs/dbraw/zinc/53/28/41/1063532841.db2.gz DVRHFCLVTPEBLB-UHFFFAOYSA-N 1 0 454.619 2.552 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC)CC2)c1 ZINC001295499996 1063533328 /nfs/dbraw/zinc/53/33/28/1063533328.db2.gz IUPQBVCIEQIOBB-QFIPXVFZSA-N 1 0 470.618 2.951 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)c1 ZINC001295500130 1063533922 /nfs/dbraw/zinc/53/39/22/1063533922.db2.gz JDBPXVCTUREPMX-UHFFFAOYSA-N 1 0 474.675 2.907 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001295500856 1063534786 /nfs/dbraw/zinc/53/47/86/1063534786.db2.gz SKYNBMFQQFRMEJ-UGKGYDQZSA-N 1 0 454.619 2.729 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001295501140 1063535101 /nfs/dbraw/zinc/53/51/01/1063535101.db2.gz VVFYHSUEOHRWPT-IBVKSMDESA-N 1 0 484.645 2.691 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001295501139 1063535261 /nfs/dbraw/zinc/53/52/61/1063535261.db2.gz VVFYHSUEOHRWPT-FQRUVTKNSA-N 1 0 484.645 2.691 20 0 JFADRO CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C[NH+](CC)CC)c2)C[C@@H]1C ZINC001295501311 1063535288 /nfs/dbraw/zinc/53/52/88/1063535288.db2.gz XHYZBXSTYKKDJC-REWPJTCUSA-N 1 0 488.702 2.601 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001295503919 1063539372 /nfs/dbraw/zinc/53/93/72/1063539372.db2.gz PUZIVFRIQJESJR-JOCHJYFZSA-N 1 0 462.602 2.730 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)CC1 ZINC001295504396 1063540070 /nfs/dbraw/zinc/54/00/70/1063540070.db2.gz SIRXQMGOBUIGCD-UHFFFAOYSA-N 1 0 461.614 2.856 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2COCCO2)C1 ZINC001295505835 1063542445 /nfs/dbraw/zinc/54/24/45/1063542445.db2.gz IXVHERFTRGPAOC-NVXWUHKLSA-N 1 0 467.412 2.619 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001295514581 1063548525 /nfs/dbraw/zinc/54/85/25/1063548525.db2.gz AZGRTVGKRVKIOW-MOPGFXCFSA-N 1 0 471.593 2.781 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 ZINC001295515415 1063548965 /nfs/dbraw/zinc/54/89/65/1063548965.db2.gz ANXZKBLJMWYCIE-ZWKOTPCHSA-N 1 0 479.622 2.544 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256531 1063549175 /nfs/dbraw/zinc/54/91/75/1063549175.db2.gz WGUDHCRPBNNONR-WOJBJXKFSA-N 1 0 496.722 2.605 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256528 1063549229 /nfs/dbraw/zinc/54/92/29/1063549229.db2.gz WGUDHCRPBNNONR-PMACEKPBSA-N 1 0 496.722 2.605 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC001295516014 1063550048 /nfs/dbraw/zinc/55/00/48/1063550048.db2.gz DVEGLNOEPRZXRD-WERVVEIQSA-N 1 0 467.680 2.552 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 ZINC001295516198 1063551554 /nfs/dbraw/zinc/55/15/54/1063551554.db2.gz GKASZWDMMQOLFE-NHCUHLMSSA-N 1 0 475.659 2.736 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)C1 ZINC001295516365 1063552024 /nfs/dbraw/zinc/55/20/24/1063552024.db2.gz HKPLGMCLPVDDNS-PMACEKPBSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001295516516 1063553064 /nfs/dbraw/zinc/55/30/64/1063553064.db2.gz LTFUCCUEKTYRRL-CTNGQTDRSA-N 1 0 456.639 2.607 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 ZINC001295517651 1063554012 /nfs/dbraw/zinc/55/40/12/1063554012.db2.gz MFMHDJRBBQAJEJ-OALUTQOASA-N 1 0 451.662 2.653 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295517934 1063554901 /nfs/dbraw/zinc/55/49/01/1063554901.db2.gz NJKVGDQXYIMPBA-GUDVDZBRSA-N 1 0 450.628 2.863 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)C1 ZINC001295518584 1063554946 /nfs/dbraw/zinc/55/49/46/1063554946.db2.gz ORKBFOOQQUCKFS-OAQYLSRUSA-N 1 0 455.651 2.543 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 ZINC001295521039 1063556965 /nfs/dbraw/zinc/55/69/65/1063556965.db2.gz WSYIHOBYHZMZFX-WZOHSFFVSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 ZINC001295521054 1063558014 /nfs/dbraw/zinc/55/80/14/1063558014.db2.gz XFVLBHZFBQQCIM-HAMDTZRPSA-N 1 0 496.722 2.776 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001295521377 1063558654 /nfs/dbraw/zinc/55/86/54/1063558654.db2.gz ZDSDYMCXQYXSBR-IFMALSPDSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 ZINC001295521842 1063559247 /nfs/dbraw/zinc/55/92/47/1063559247.db2.gz HEKQCWQPUNSUOI-JOCHJYFZSA-N 1 0 454.619 2.694 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001295523140 1063559982 /nfs/dbraw/zinc/55/99/82/1063559982.db2.gz PCWOHGRFGKCMBQ-UHFFFAOYSA-N 1 0 487.674 2.578 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)C1 ZINC001295523185 1063560002 /nfs/dbraw/zinc/56/00/02/1063560002.db2.gz PZMCSXWOIPNHFM-GBESFXJTSA-N 1 0 464.655 2.988 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)cc2)C1 ZINC001295523144 1063560022 /nfs/dbraw/zinc/56/00/22/1063560022.db2.gz PEESOZANDMIOOC-OAQYLSRUSA-N 1 0 467.618 2.575 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291263688 1063562522 /nfs/dbraw/zinc/56/25/22/1063562522.db2.gz OQVMDTZKKNRPMO-SFHVURJKSA-N 1 0 463.623 2.753 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)C(F)(F)C21CC1 ZINC001295524482 1063562695 /nfs/dbraw/zinc/56/26/95/1063562695.db2.gz LXRLCRLVAUIXQN-INIZCTEOSA-N 1 0 474.622 2.636 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001295530868 1063567403 /nfs/dbraw/zinc/56/74/03/1063567403.db2.gz PPCSPVUVPHHMKG-DEOSSOPVSA-N 1 0 472.590 2.725 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCC2)CCN1CC(F)(F)F ZINC001291266203 1063568153 /nfs/dbraw/zinc/56/81/53/1063568153.db2.gz JCPOQULRFQWCIP-KRWDZBQOSA-N 1 0 451.541 2.821 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001295532409 1063569177 /nfs/dbraw/zinc/56/91/77/1063569177.db2.gz GNJAUWYIGVBEID-IBGZPJMESA-N 1 0 467.574 2.538 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001295533058 1063569621 /nfs/dbraw/zinc/56/96/21/1063569621.db2.gz ORNJJJDYAYNFPM-QGZVFWFLSA-N 1 0 467.540 2.885 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001295533108 1063570062 /nfs/dbraw/zinc/57/00/62/1063570062.db2.gz QABDJMZYYAXJJS-HXUWFJFHSA-N 1 0 451.623 2.911 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001295533490 1063570488 /nfs/dbraw/zinc/57/04/88/1063570488.db2.gz CSJPZUDDTIRTMC-LJQANCHMSA-N 1 0 480.617 2.630 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001295533918 1063570947 /nfs/dbraw/zinc/57/09/47/1063570947.db2.gz IBSSVQSPGKFMGE-AZUAARDMSA-N 1 0 473.618 2.975 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295534053 1063570960 /nfs/dbraw/zinc/57/09/60/1063570960.db2.gz JBWOXOZXLIYZKZ-PMACEKPBSA-N 1 0 480.654 2.982 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001295534734 1063571571 /nfs/dbraw/zinc/57/15/71/1063571571.db2.gz PQDKIXGECGSALC-UHFFFAOYSA-N 1 0 489.621 2.795 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001295539810 1063575102 /nfs/dbraw/zinc/57/51/02/1063575102.db2.gz SDEGFRLVPHMRCZ-UHFFFAOYSA-N 1 0 451.575 2.551 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001295541049 1063575561 /nfs/dbraw/zinc/57/55/61/1063575561.db2.gz GSLDZSWIBDOEKU-UHFFFAOYSA-N 1 0 470.572 2.996 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001295540735 1063575616 /nfs/dbraw/zinc/57/56/16/1063575616.db2.gz CTZUCDHJXQDNQP-QGZVFWFLSA-N 1 0 467.039 2.523 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001295540960 1063575637 /nfs/dbraw/zinc/57/56/37/1063575637.db2.gz GFTKRIVPLLXGAQ-AABGKKOBSA-N 1 0 480.654 2.526 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001295540801 1063575690 /nfs/dbraw/zinc/57/56/90/1063575690.db2.gz FJWHKFNTYUIHSX-AQNXPRMDSA-N 1 0 462.639 2.817 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295543407 1063578495 /nfs/dbraw/zinc/57/84/95/1063578495.db2.gz HUCTXJHTBIUFLA-UHFFFAOYSA-N 1 0 469.590 2.511 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001295543417 1063578574 /nfs/dbraw/zinc/57/85/74/1063578574.db2.gz HYIHAPYZANLODM-QGZVFWFLSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001295543556 1063578656 /nfs/dbraw/zinc/57/86/56/1063578656.db2.gz JKEINXYSVWDUON-PMACEKPBSA-N 1 0 480.654 2.791 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001295544023 1063578894 /nfs/dbraw/zinc/57/88/94/1063578894.db2.gz KZCRHCBNQHMSQF-UHFFFAOYSA-N 1 0 456.635 2.998 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001295543932 1063578913 /nfs/dbraw/zinc/57/89/13/1063578913.db2.gz JAAIHMACGDGZIA-KRWDZBQOSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001295543969 1063578996 /nfs/dbraw/zinc/57/89/96/1063578996.db2.gz JXNULOGSOWJUSC-IBGZPJMESA-N 1 0 497.644 2.554 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCOCC1 ZINC001295544576 1063579893 /nfs/dbraw/zinc/57/98/93/1063579893.db2.gz NIEZVZVHUIEUBB-UHFFFAOYSA-N 1 0 455.401 2.621 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001295544588 1063579985 /nfs/dbraw/zinc/57/99/85/1063579985.db2.gz NZEQWLIYUVAWFW-HXUWFJFHSA-N 1 0 479.629 2.909 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cccc3cccnc32)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001295544587 1063580006 /nfs/dbraw/zinc/58/00/06/1063580006.db2.gz NZEQWLIYUVAWFW-FQEVSTJZSA-N 1 0 479.629 2.909 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCO[C@@H](C)C1 ZINC001295545040 1063580407 /nfs/dbraw/zinc/58/04/07/1063580407.db2.gz OYOYDKQKCQLXGZ-SFHVURJKSA-N 1 0 469.590 2.568 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001295546385 1063581718 /nfs/dbraw/zinc/58/17/18/1063581718.db2.gz XMKBBRMJYFJFDX-NHCUHLMSSA-N 1 0 498.738 2.789 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC001295550116 1063582735 /nfs/dbraw/zinc/58/27/35/1063582735.db2.gz CXXBZHCWHHDSOU-IFMALSPDSA-N 1 0 476.666 2.799 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001295550422 1063583304 /nfs/dbraw/zinc/58/33/04/1063583304.db2.gz GDZAHVGFCOCATH-MBOZVWFJSA-N 1 0 464.636 2.666 20 0 JFADRO C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001291275764 1063583805 /nfs/dbraw/zinc/58/38/05/1063583805.db2.gz YVOGMUOZLLWWMZ-FYYLOGMGSA-N 1 0 468.646 2.621 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001295551718 1063584663 /nfs/dbraw/zinc/58/46/63/1063584663.db2.gz UZDOIQUTBHNAFJ-FQEVSTJZSA-N 1 0 478.638 2.711 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001295553466 1063586475 /nfs/dbraw/zinc/58/64/75/1063586475.db2.gz IVIKELSRKMUPGT-MRXNPFEDSA-N 1 0 499.081 2.855 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295553964 1063587532 /nfs/dbraw/zinc/58/75/32/1063587532.db2.gz NYYBXCSSFQWSOU-KOSHJBKYSA-N 1 0 491.658 2.708 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001295554061 1063588012 /nfs/dbraw/zinc/58/80/12/1063588012.db2.gz OGOMNSRZYMEUEE-SJORKVTESA-N 1 0 499.081 2.808 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295554235 1063588338 /nfs/dbraw/zinc/58/83/38/1063588338.db2.gz VGNBCTPCSBDADZ-LJQANCHMSA-N 1 0 482.633 2.753 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001295554941 1063589416 /nfs/dbraw/zinc/58/94/16/1063589416.db2.gz MCPFJGIWVXAUIY-OAHLLOKOSA-N 1 0 470.437 2.673 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001295555199 1063589795 /nfs/dbraw/zinc/58/97/95/1063589795.db2.gz VDDJBBUORKYYMN-JLTOFOAXSA-N 1 0 480.411 2.797 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001295555148 1063589877 /nfs/dbraw/zinc/58/98/77/1063589877.db2.gz SPGFQHNNVVKXRA-QZTJIDSGSA-N 1 0 450.591 2.732 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001295559066 1063591385 /nfs/dbraw/zinc/59/13/85/1063591385.db2.gz BBPZSZWGLVZJMS-YTFSRNRJSA-N 1 0 498.720 2.831 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001295560082 1063592951 /nfs/dbraw/zinc/59/29/51/1063592951.db2.gz PKMUDELYJZSAAU-SQNIBIBYSA-N 1 0 458.611 2.850 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001295560769 1063594548 /nfs/dbraw/zinc/59/45/48/1063594548.db2.gz YVPRVEGHNDKKKR-WSTZPKSXSA-N 1 0 459.664 2.904 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295563777 1063596994 /nfs/dbraw/zinc/59/69/94/1063596994.db2.gz NXSMDXZQCUBZOW-LJQANCHMSA-N 1 0 454.598 2.798 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001295564246 1063597499 /nfs/dbraw/zinc/59/74/99/1063597499.db2.gz SIVOQGMTNYGUEY-BLIXFSHQSA-N 1 0 497.612 2.767 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](COC)C1 ZINC001295564362 1063597914 /nfs/dbraw/zinc/59/79/14/1063597914.db2.gz AEFZVETXWFOSPG-UXHICEINSA-N 1 0 456.639 2.655 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001295565874 1063599418 /nfs/dbraw/zinc/59/94/18/1063599418.db2.gz OSVLXVZCRWAFOP-IRLDBZIGSA-N 1 0 456.635 2.985 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001295566203 1063599934 /nfs/dbraw/zinc/59/99/34/1063599934.db2.gz RYJNYBZZNZJQDA-SBHAEUEKSA-N 1 0 472.638 2.648 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001295568421 1063602496 /nfs/dbraw/zinc/60/24/96/1063602496.db2.gz OBXWBHHXCVZPOP-HXUWFJFHSA-N 1 0 457.623 2.909 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 ZINC001295569189 1063603265 /nfs/dbraw/zinc/60/32/65/1063603265.db2.gz RAIHTYAEPDCHIO-LJQANCHMSA-N 1 0 458.607 2.691 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001295569339 1063603288 /nfs/dbraw/zinc/60/32/88/1063603288.db2.gz BDIUFLSBPWDVAG-KNQAVFIVSA-N 1 0 470.618 2.717 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001295570315 1063604944 /nfs/dbraw/zinc/60/49/44/1063604944.db2.gz MXSICKZFWNWBRN-SJBKTWHCSA-N 1 0 454.619 2.858 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001295570366 1063605888 /nfs/dbraw/zinc/60/58/88/1063605888.db2.gz OZLZMDYONUZHRU-WIYYLYMNSA-N 1 0 458.582 2.848 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295570325 1063605916 /nfs/dbraw/zinc/60/59/16/1063605916.db2.gz NHNAVIYKZTXSQN-VAMGGRTRSA-N 1 0 491.681 2.870 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295572091 1063608950 /nfs/dbraw/zinc/60/89/50/1063608950.db2.gz FRQVEMOQPCJRKN-HKBOAZHASA-N 1 0 491.681 2.601 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295572093 1063608998 /nfs/dbraw/zinc/60/89/98/1063608998.db2.gz FRQVEMOQPCJRKN-NJYVYQBISA-N 1 0 491.681 2.601 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001295573309 1063611468 /nfs/dbraw/zinc/61/14/68/1063611468.db2.gz VMSRCQJCDJAPKA-OAQYLSRUSA-N 1 0 468.646 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295573312 1063612223 /nfs/dbraw/zinc/61/22/23/1063612223.db2.gz VOJOSVBHKPQERO-BWKNWUBXSA-N 1 0 471.650 2.771 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001295573639 1063612317 /nfs/dbraw/zinc/61/23/17/1063612317.db2.gz ZBECWYFTCFUNOL-AQNXPRMDSA-N 1 0 470.618 2.558 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001295579586 1063621446 /nfs/dbraw/zinc/62/14/46/1063621446.db2.gz RSPHSFXCTUOECX-FQEVSTJZSA-N 1 0 462.545 2.646 20 0 JFADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291285071 1063624234 /nfs/dbraw/zinc/62/42/34/1063624234.db2.gz KJPQYCFJMKUMER-LNRXMEIDSA-N 1 0 462.683 2.694 20 0 JFADRO COc1c(NC(=O)[C@@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1C(N)=O ZINC001295581199 1063624372 /nfs/dbraw/zinc/62/43/72/1063624372.db2.gz WUSSWHZITVDZES-LJQANCHMSA-N 1 0 456.543 2.758 20 0 JFADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291285072 1063624334 /nfs/dbraw/zinc/62/43/34/1063624334.db2.gz KJPQYCFJMKUMER-YUMYIRISSA-N 1 0 462.683 2.694 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001295583501 1063627292 /nfs/dbraw/zinc/62/72/92/1063627292.db2.gz HVJSPOIWSWTRON-KNQAVFIVSA-N 1 0 481.645 2.689 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001291286098 1063629240 /nfs/dbraw/zinc/62/92/40/1063629240.db2.gz CJJXHCKMMGWDIK-CGXNFDGLSA-N 1 0 492.665 2.511 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286308 1063630752 /nfs/dbraw/zinc/63/07/52/1063630752.db2.gz HDHKYTPQIQCMDP-MXEMCNAFSA-N 1 0 492.665 2.716 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287405 1063638635 /nfs/dbraw/zinc/63/86/35/1063638635.db2.gz BACJHNLVVYYZTQ-YRXWBPOGSA-N 1 0 496.703 2.791 20 0 JFADRO CC(C)c1nc([C@H]2CN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)no1 ZINC001291287630 1063640554 /nfs/dbraw/zinc/64/05/54/1063640554.db2.gz FVVKEPVOHVKJHV-CEXWTWQISA-N 1 0 461.611 2.985 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCCO1 ZINC001291287711 1063642445 /nfs/dbraw/zinc/64/24/45/1063642445.db2.gz GOUIJUYPANJXHD-UXHICEINSA-N 1 0 485.633 2.678 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291287828 1063642963 /nfs/dbraw/zinc/64/29/63/1063642963.db2.gz IGWRCEANWGCHSH-HBMCJLEFSA-N 1 0 476.666 2.797 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cnn(C)c2)C[C@H](C)O1 ZINC001291287774 1063642987 /nfs/dbraw/zinc/64/29/87/1063642987.db2.gz HPSKIXOVUOQVLB-HOTGVXAUSA-N 1 0 491.438 2.905 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccs2)C[C@@H](C)O1 ZINC001291288074 1063645936 /nfs/dbraw/zinc/64/59/36/1063645936.db2.gz MUYSWLBCOJCFIF-RTBURBONSA-N 1 0 460.648 2.754 20 0 JFADRO C[C@@H](CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccs1 ZINC001291289016 1063654090 /nfs/dbraw/zinc/65/40/90/1063654090.db2.gz CFOAQIVOROKYEK-RCCFBDPRSA-N 1 0 458.636 2.874 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291289183 1063655737 /nfs/dbraw/zinc/65/57/37/1063655737.db2.gz FWDFFOFMMPKQGT-IRXDYDNUSA-N 1 0 483.995 2.880 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC001291289597 1063657845 /nfs/dbraw/zinc/65/78/45/1063657845.db2.gz MNZIWDBONPCXDD-RTBURBONSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 ZINC001291289872 1063659460 /nfs/dbraw/zinc/65/94/60/1063659460.db2.gz RHLDPJJMMXFBKN-AEFFLSMTSA-N 1 0 491.434 2.520 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291289995 1063661451 /nfs/dbraw/zinc/66/14/51/1063661451.db2.gz STSHGSIUGVDHOK-BGYRXZFFSA-N 1 0 454.619 2.926 20 0 JFADRO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291290078 1063662159 /nfs/dbraw/zinc/66/21/59/1063662159.db2.gz UTTJBHVAZVEXLQ-OALUTQOASA-N 1 0 483.583 2.857 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CCC(N)=O)CC2)CCCO1 ZINC001291290115 1063662309 /nfs/dbraw/zinc/66/23/09/1063662309.db2.gz VFILUZNGSLXWFG-GOSISDBHSA-N 1 0 490.052 2.976 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290406 1063663823 /nfs/dbraw/zinc/66/38/23/1063663823.db2.gz ZSNFSDAIXBLJQB-CWBXHPNXSA-N 1 0 470.662 2.990 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001291290513 1063664950 /nfs/dbraw/zinc/66/49/50/1063664950.db2.gz ATFJDYCMYUWJGA-YVHKJVDXSA-N 1 0 499.582 2.708 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291290840 1063665525 /nfs/dbraw/zinc/66/55/25/1063665525.db2.gz GSOOVTAMQHRHPV-GGPKGHCWSA-N 1 0 462.639 2.512 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291291290 1063668471 /nfs/dbraw/zinc/66/84/71/1063668471.db2.gz MULDXGANHFDGOR-PLACYPQZSA-N 1 0 492.665 2.775 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001291291306 1063669130 /nfs/dbraw/zinc/66/91/30/1063669130.db2.gz MYNOGDXEEIMSQQ-QBPKDAKJSA-N 1 0 453.513 2.869 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC001291291322 1063669213 /nfs/dbraw/zinc/66/92/13/1063669213.db2.gz NCEVPQXFHRIROC-MBOZVWFJSA-N 1 0 492.571 2.966 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291291313 1063669343 /nfs/dbraw/zinc/66/93/43/1063669343.db2.gz NAYGUTPBMAICNW-TWMKSMIVSA-N 1 0 458.529 2.507 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291291324 1063670317 /nfs/dbraw/zinc/67/03/17/1063670317.db2.gz NCMQQDIYVNYUOB-CZYKHXBRSA-N 1 0 476.666 2.760 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001291291876 1063672435 /nfs/dbraw/zinc/67/24/35/1063672435.db2.gz VTIQOVYLQAQMSM-IAGOWNOFSA-N 1 0 486.583 2.940 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)C[C@H](C)O1 ZINC001291292136 1063674059 /nfs/dbraw/zinc/67/40/59/1063674059.db2.gz ZEQHKLOBIDERSD-PMACEKPBSA-N 1 0 475.682 2.750 20 0 JFADRO C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1O ZINC001291292590 1063676859 /nfs/dbraw/zinc/67/68/59/1063676859.db2.gz GOUWEQHAFDJVSY-MSQSPTIYSA-N 1 0 463.573 2.854 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@@H](C)O1 ZINC001291292767 1063678166 /nfs/dbraw/zinc/67/81/66/1063678166.db2.gz JHDLMIULCRJQJC-IPMKNSEASA-N 1 0 491.036 2.677 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291292742 1063678204 /nfs/dbraw/zinc/67/82/04/1063678204.db2.gz ISALJYWFJBFCLG-XPNTWCBSSA-N 1 0 483.661 2.504 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291292740 1063678280 /nfs/dbraw/zinc/67/82/80/1063678280.db2.gz ISALJYWFJBFCLG-MQSCRBSSSA-N 1 0 483.661 2.504 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291292903 1063679120 /nfs/dbraw/zinc/67/91/20/1063679120.db2.gz LOAZZVHLFUWSKA-VWPQPMDRSA-N 1 0 499.660 2.867 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC001291292912 1063680281 /nfs/dbraw/zinc/68/02/81/1063680281.db2.gz LTQHUYMOONODAE-FGTMMUONSA-N 1 0 478.688 2.711 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291293173 1063682757 /nfs/dbraw/zinc/68/27/57/1063682757.db2.gz QAEDBKMJCQMYRR-OAQYLSRUSA-N 1 0 476.616 2.951 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001291293428 1063684387 /nfs/dbraw/zinc/68/43/87/1063684387.db2.gz UTVVVWIPGCWVFH-XPNTWCBSSA-N 1 0 468.646 2.654 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291293827 1063686284 /nfs/dbraw/zinc/68/62/84/1063686284.db2.gz AGUAZBSRVGSWIK-CALCHBBNSA-N 1 0 479.050 2.659 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C ZINC001291294075 1063687944 /nfs/dbraw/zinc/68/79/44/1063687944.db2.gz DVRIRIOZXQCKLR-QAPCUYQASA-N 1 0 461.408 2.859 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291294240 1063688414 /nfs/dbraw/zinc/68/84/14/1063688414.db2.gz GWBYFVPUDPNDJC-XRXFAXGQSA-N 1 0 499.722 2.567 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294513 1063689713 /nfs/dbraw/zinc/68/97/13/1063689713.db2.gz KUCQJHXZEQKJAV-RYUDHWBXSA-N 1 0 489.390 2.823 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294512 1063689729 /nfs/dbraw/zinc/68/97/29/1063689729.db2.gz KUCQJHXZEQKJAV-NWDGAFQWSA-N 1 0 489.390 2.823 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295083 1063693229 /nfs/dbraw/zinc/69/32/29/1063693229.db2.gz ULPXQASAWPHIHL-LSDHHAIUSA-N 1 0 485.486 2.515 20 0 JFADRO 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CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295662046 1063703734 /nfs/dbraw/zinc/70/37/34/1063703734.db2.gz LVGJOKXZUANTBU-FQEVSTJZSA-N 1 0 451.619 2.906 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291301421 1063708977 /nfs/dbraw/zinc/70/89/77/1063708977.db2.gz CESZZWWOKHFANB-GOSISDBHSA-N 1 0 461.632 2.696 20 0 JFADRO CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(C(=O)NC(C)C)n1CC(C)(C)C[NH+](C)C ZINC001295670593 1063711312 /nfs/dbraw/zinc/71/13/12/1063711312.db2.gz RSXKTUKHJIIUFG-UHFFFAOYSA-N 1 0 474.635 2.741 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001295715873 1063733448 /nfs/dbraw/zinc/73/34/48/1063733448.db2.gz YMOQRQZUESCBON-GGAORHGYSA-N 1 0 483.661 2.632 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)C(C)C ZINC001295723232 1063738746 /nfs/dbraw/zinc/73/87/46/1063738746.db2.gz SRRMOMLRPVLAHJ-LJQANCHMSA-N 1 0 477.679 2.892 20 0 JFADRO 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CCN1C(=O)[C@H]2CN(c3nnc(Cc4ccccc4C)n3C[C@H](CC(C)C)[NH+](C)C)CCN2C1=O ZINC001295896276 1063948865 /nfs/dbraw/zinc/94/88/65/1063948865.db2.gz XODWKYRDLGDFFB-FCHUYYIVSA-N 1 0 481.645 2.626 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291396821 1063952623 /nfs/dbraw/zinc/95/26/23/1063952623.db2.gz CPXPZUHLOHTYHF-STWLZBDKSA-N 1 0 462.683 2.574 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CCO2)cn1 ZINC001295900584 1063953669 /nfs/dbraw/zinc/95/36/69/1063953669.db2.gz DUIHIJBBSRMXMS-FCHUYYIVSA-N 1 0 459.639 2.628 20 0 JFADRO C[NH+]1CCN(Cc2cccc(C(=O)Nc3cccc(C(=O)N4CCC[C@@H](CO)C4)c3)c2)CC1 ZINC001295911844 1063964190 /nfs/dbraw/zinc/96/41/90/1063964190.db2.gz BZCBSIIRBGHGAN-OAQYLSRUSA-N 1 0 450.583 2.531 20 0 JFADRO CCn1cc(CN(C)c2nnc(CC(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC001295911934 1063964521 /nfs/dbraw/zinc/96/45/21/1063964521.db2.gz BYMRKYCRMATQKT-QHCPKHFHSA-N 1 0 451.619 2.944 20 0 JFADRO CCn1cc(CN(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)cn1 ZINC001295912650 1063965086 /nfs/dbraw/zinc/96/50/86/1063965086.db2.gz LSZDJKCXLZRLBK-FQEVSTJZSA-N 1 0 488.637 2.535 20 0 JFADRO CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC001295915303 1063967317 /nfs/dbraw/zinc/96/73/17/1063967317.db2.gz MTKNBSDCNTYMAX-SFHLNBCPSA-N 1 0 491.706 2.790 20 0 JFADRO CC[C@H](C)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001291411024 1063986730 /nfs/dbraw/zinc/98/67/30/1063986730.db2.gz FMHDMBZLLCPSJM-PMOQBDJRSA-N 1 0 484.645 2.758 20 0 JFADRO CCn1cccc(Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)c1=O ZINC001295938263 1063988589 /nfs/dbraw/zinc/98/85/89/1063988589.db2.gz HGONARKXIQFBJO-VQTJNVASSA-N 1 0 498.603 2.944 20 0 JFADRO CC[C@H](C)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)OC ZINC001291418131 1063996859 /nfs/dbraw/zinc/99/68/59/1063996859.db2.gz UFIUNJHMPKWEHE-WAOWUJCRSA-N 1 0 483.617 2.812 20 0 JFADRO CC(C)N1CC[NH+](C2CCN(C(=O)C[C@H]3CSCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001295951325 1064003015 /nfs/dbraw/zinc/00/30/15/1064003015.db2.gz IXOSHEHBIYFBHR-FQEVSTJZSA-N 1 0 454.681 2.746 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001291428057 1064011335 /nfs/dbraw/zinc/01/13/35/1064011335.db2.gz RJCPGSCIFDJHFS-ROUUACIJSA-N 1 0 478.663 2.747 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001291433165 1064013215 /nfs/dbraw/zinc/01/32/15/1064013215.db2.gz UCSYTYVCDAHMNL-VQTJNVASSA-N 1 0 456.639 2.798 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001291435257 1064015897 /nfs/dbraw/zinc/01/58/97/1064015897.db2.gz ZXVKRTZHCXXQLO-VXKWHMMOSA-N 1 0 469.682 2.714 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC[NH+]1CCSCC1 ZINC001291443946 1064019063 /nfs/dbraw/zinc/01/90/63/1064019063.db2.gz KSXWENUVXGQUQY-QGZVFWFLSA-N 1 0 451.662 2.880 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001295975522 1064020243 /nfs/dbraw/zinc/02/02/43/1064020243.db2.gz CSVKUGJLCADHSX-RTBURBONSA-N 1 0 476.585 2.873 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295976070 1064021078 /nfs/dbraw/zinc/02/10/78/1064021078.db2.gz CFQPPBFATWELGK-CABCVRRESA-N 1 0 459.396 2.803 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@]1(O)CCO[C@H]1C ZINC001291456207 1064022184 /nfs/dbraw/zinc/02/21/84/1064022184.db2.gz LWFDAHDJDMXWIN-STWLZBDKSA-N 1 0 456.635 2.590 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291457788 1064024230 /nfs/dbraw/zinc/02/42/30/1064024230.db2.gz SWKQUXAJQBCIQQ-ZLNRFVROSA-N 1 0 498.720 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024422 /nfs/dbraw/zinc/02/44/22/1064024422.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 1 0 480.455 2.675 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024472 /nfs/dbraw/zinc/02/44/72/1064024472.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 1 0 456.635 2.983 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 ZINC001291458469 1064024916 /nfs/dbraw/zinc/02/49/16/1064024916.db2.gz HXAFJFWUZCHVDL-OQLXKQOESA-N 1 0 472.682 2.765 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001295978844 1064027054 /nfs/dbraw/zinc/02/70/54/1064027054.db2.gz TYGWXUYTTQGGAL-IUKKYPGJSA-N 1 0 463.648 2.675 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@@H]1C ZINC001295978830 1064027145 /nfs/dbraw/zinc/02/71/45/1064027145.db2.gz TVPRRBAXDFDIOY-ROUUACIJSA-N 1 0 460.648 2.914 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029542 /nfs/dbraw/zinc/02/95/42/1064029542.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 1 0 497.688 2.604 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029659 /nfs/dbraw/zinc/02/96/59/1064029659.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 1 0 497.688 2.604 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2(C)CCCO2)C[C@H]1C ZINC001295980347 1064030146 /nfs/dbraw/zinc/03/01/46/1064030146.db2.gz YQBJKLSKZCOZCN-YDIMBITNSA-N 1 0 490.674 2.683 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001295980678 1064031086 /nfs/dbraw/zinc/03/10/86/1064031086.db2.gz RAEWKSUZZYNQTC-MOPGFXCFSA-N 1 0 477.654 2.690 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470379 1064031462 /nfs/dbraw/zinc/03/14/62/1064031462.db2.gz PGBPJOQPYUPHOM-JAXLGGSGSA-N 1 0 460.667 2.987 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291470654 1064031490 /nfs/dbraw/zinc/03/14/90/1064031490.db2.gz SZRUPOLDNIGSGJ-QNWVGRARSA-N 1 0 461.699 2.899 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470922 1064032414 /nfs/dbraw/zinc/03/24/14/1064032414.db2.gz XDONRGYMLPMNEU-NSHGMRRFSA-N 1 0 459.664 2.870 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001295981460 1064032670 /nfs/dbraw/zinc/03/26/70/1064032670.db2.gz ACTDTPWPTCHGHR-IRXDYDNUSA-N 1 0 455.994 2.968 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C[C@H]1C ZINC001295981469 1064032747 /nfs/dbraw/zinc/03/27/47/1064032747.db2.gz VDTXTKZEYBJJDI-FYQPLNBISA-N 1 0 466.696 2.699 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC[C@@H]1CCCO1 ZINC001291471089 1064033342 /nfs/dbraw/zinc/03/33/42/1064033342.db2.gz YVTYJBLXKIVZCC-WMIMKTLMSA-N 1 0 490.693 2.756 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001295982169 1064034122 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ZINC001295997410 1064053105 /nfs/dbraw/zinc/05/31/05/1064053105.db2.gz QQLOJENOMGGUBS-RLFYNMQTSA-N 1 0 465.524 2.805 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOC)C[C@@H]1C ZINC001295996944 1064053279 /nfs/dbraw/zinc/05/32/79/1064053279.db2.gz NSYVTKFXVRWOEK-ZWKOTPCHSA-N 1 0 450.628 2.958 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001295997737 1064054283 /nfs/dbraw/zinc/05/42/83/1064054283.db2.gz RWGCZHBWZTZPIL-CPLUKWAASA-N 1 0 475.588 2.729 20 0 JFADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001295997520 1064054320 /nfs/dbraw/zinc/05/43/20/1064054320.db2.gz RIFJCNWDGROQFZ-MHMIHQHRSA-N 1 0 494.750 2.857 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@@H]1C ZINC001295998696 1064056207 /nfs/dbraw/zinc/05/62/07/1064056207.db2.gz VAVOSVWGKNTLBQ-ZWKOTPCHSA-N 1 0 453.591 2.538 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001291504741 1064056221 /nfs/dbraw/zinc/05/62/21/1064056221.db2.gz WFQPIKUSLVQNQE-CTNGQTDRSA-N 1 0 468.712 2.925 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@H]1C ZINC001295998990 1064056241 /nfs/dbraw/zinc/05/62/41/1064056241.db2.gz YHSDKEMYQPLPBA-QZTJIDSGSA-N 1 0 478.592 2.653 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001295999717 1064056617 /nfs/dbraw/zinc/05/66/17/1064056617.db2.gz XEVVWAFJUDHSFP-WQGACYEGSA-N 1 0 454.472 2.753 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291507877 1064058906 /nfs/dbraw/zinc/05/89/06/1064058906.db2.gz BOMQPKBYHLYXIW-AZUAARDMSA-N 1 0 460.648 2.746 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCCCC3=O)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001291508022 1064059239 /nfs/dbraw/zinc/05/92/39/1064059239.db2.gz DZLMNPRSKYZMOY-OAQYLSRUSA-N 1 0 459.683 2.801 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001296003664 1064059423 /nfs/dbraw/zinc/05/94/23/1064059423.db2.gz VHXROIAJGRGEDF-ROUUACIJSA-N 1 0 451.575 2.643 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509641 1064061014 /nfs/dbraw/zinc/06/10/14/1064061014.db2.gz HPJLKJYYZNCLKH-IFMALSPDSA-N 1 0 459.683 2.845 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291510070 1064061210 /nfs/dbraw/zinc/06/12/10/1064061210.db2.gz OPUHQUUXWIEXMQ-JPYJTQIMSA-N 1 0 463.696 2.955 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291510343 1064061929 /nfs/dbraw/zinc/06/19/29/1064061929.db2.gz UAGMQCOSPYCJOP-PMACEKPBSA-N 1 0 461.655 2.677 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001296008851 1064063000 /nfs/dbraw/zinc/06/30/00/1064063000.db2.gz BUHCXTQUJKOPIL-FBROZUCGSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001296008849 1064063030 /nfs/dbraw/zinc/06/30/30/1064063030.db2.gz BUHCXTQUJKOPIL-AIFLQVKLSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(OC)cc2)C[C@H]1C ZINC001296009325 1064063881 /nfs/dbraw/zinc/06/38/81/1064063881.db2.gz JUGIKQZGTRTXSE-HSALFYBXSA-N 1 0 470.618 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)C[C@H]1C ZINC001296009324 1064064034 /nfs/dbraw/zinc/06/40/34/1064064034.db2.gz JUGIKQZGTRTXSE-AABGKKOBSA-N 1 0 470.618 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001296009410 1064064420 /nfs/dbraw/zinc/06/44/20/1064064420.db2.gz GADOHKFVPISREY-IZZGNVEXSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009390 1064064472 /nfs/dbraw/zinc/06/44/72/1064064472.db2.gz FURBZMCVJSUZTI-RTWAWAEBSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001296009566 1064065319 /nfs/dbraw/zinc/06/53/19/1064065319.db2.gz LNYLBQVIKDUMRK-SXWKCWPCSA-N 1 0 457.619 2.796 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296009624 1064065427 /nfs/dbraw/zinc/06/54/27/1064065427.db2.gz HTZORYGPYDWSKW-LEWJYISDSA-N 1 0 484.645 2.675 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001291514487 1064067660 /nfs/dbraw/zinc/06/76/60/1064067660.db2.gz UKGKDHFUHYRHHX-IBGZPJMESA-N 1 0 474.675 2.758 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296010828 1064069693 /nfs/dbraw/zinc/06/96/93/1064069693.db2.gz MJNHCLWDAFNKMR-MOPGFXCFSA-N 1 0 468.577 2.971 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001296010866 1064070111 /nfs/dbraw/zinc/07/01/11/1064070111.db2.gz MYOKQDXRPVEYKO-RBUKOAKNSA-N 1 0 499.626 2.984 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296011204 1064070188 /nfs/dbraw/zinc/07/01/88/1064070188.db2.gz UIVMAMFYJYYXCW-CVEARBPZSA-N 1 0 459.545 2.650 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001291518163 1064070754 /nfs/dbraw/zinc/07/07/54/1064070754.db2.gz HCUMJPCUGPVJLG-CTNGQTDRSA-N 1 0 467.680 2.840 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001291518165 1064070800 /nfs/dbraw/zinc/07/08/00/1064070800.db2.gz HCUMJPCUGPVJLG-PZJWPPBQSA-N 1 0 467.680 2.840 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@H]1C ZINC001296012328 1064072669 /nfs/dbraw/zinc/07/26/69/1064072669.db2.gz JTXVYQPSYNTKPF-WOIUINJBSA-N 1 0 470.618 2.564 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001296012572 1064073052 /nfs/dbraw/zinc/07/30/52/1064073052.db2.gz UAWAYJQVWWWMFD-MOPGFXCFSA-N 1 0 470.647 2.550 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296013136 1064073968 /nfs/dbraw/zinc/07/39/68/1064073968.db2.gz MHILNJZRMGEOBP-ZFJITXNASA-N 1 0 475.609 2.968 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296013618 1064074524 /nfs/dbraw/zinc/07/45/24/1064074524.db2.gz OIAVSHUQTYOLNI-SRYPRDQNSA-N 1 0 476.666 2.760 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@H]1C ZINC001296014573 1064076463 /nfs/dbraw/zinc/07/64/63/1064076463.db2.gz YJZIIUGMRBWYJD-WOJBJXKFSA-N 1 0 470.618 2.797 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001296016843 1064077999 /nfs/dbraw/zinc/07/79/99/1064077999.db2.gz VPTYATMEIUUTOH-LTFXXXRZSA-N 1 0 468.618 2.952 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2conc2COC)C[C@@H]1C ZINC001296016994 1064078261 /nfs/dbraw/zinc/07/82/61/1064078261.db2.gz WNLYRBDTIFYIID-ZWKOTPCHSA-N 1 0 470.574 2.967 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001291538048 1064079287 /nfs/dbraw/zinc/07/92/87/1064079287.db2.gz LDWGTCASBWRJFI-WIOPSUGQSA-N 1 0 481.689 2.962 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C(C)C)Oc2ccccc21 ZINC001296017485 1064079624 /nfs/dbraw/zinc/07/96/24/1064079624.db2.gz GJRKPHRXTLDTBT-VQTJNVASSA-N 1 0 469.634 2.683 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001291539690 1064081543 /nfs/dbraw/zinc/08/15/43/1064081543.db2.gz HYEYQYFUUHIHBE-ICSRJNTNSA-N 1 0 452.669 2.670 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccco2)CC1 ZINC001296021759 1064082687 /nfs/dbraw/zinc/08/26/87/1064082687.db2.gz LMMDHUKUGOZRAZ-IEBWSBKVSA-N 1 0 464.636 2.945 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC001296024702 1064084405 /nfs/dbraw/zinc/08/44/05/1064084405.db2.gz GVJHFNYRJKWWRL-OAQYLSRUSA-N 1 0 496.722 2.544 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296024710 1064084734 /nfs/dbraw/zinc/08/47/34/1064084734.db2.gz GYDDBCMTJOLRDM-LJQANCHMSA-N 1 0 467.680 2.696 20 0 JFADRO CC[NH+]1CCC(CCn2c(C3CCC3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001296025106 1064085367 /nfs/dbraw/zinc/08/53/67/1064085367.db2.gz MSNHPSVPEUQYMH-FQEVSTJZSA-N 1 0 466.696 2.775 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296025483 1064085726 /nfs/dbraw/zinc/08/57/26/1064085726.db2.gz ROEUQIGZZLTUJX-ZIFCJYIRSA-N 1 0 455.694 2.632 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001296026609 1064086279 /nfs/dbraw/zinc/08/62/79/1064086279.db2.gz FLVIGRDZDUFONL-UHFFFAOYSA-N 1 0 457.598 2.591 20 0 JFADRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC001296028349 1064087265 /nfs/dbraw/zinc/08/72/65/1064087265.db2.gz YROWUNWMYVQKDK-NRFANRHFSA-N 1 0 470.666 2.996 20 0 JFADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296028345 1064087291 /nfs/dbraw/zinc/08/72/91/1064087291.db2.gz YKQQDDCKBPHWPZ-WMZOPIPTSA-N 1 0 472.556 2.679 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291545072 1064088784 /nfs/dbraw/zinc/08/87/84/1064088784.db2.gz WHSVZVJKJVPDAN-RTWAWAEBSA-N 1 0 484.711 2.541 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001291545220 1064089123 /nfs/dbraw/zinc/08/91/23/1064089123.db2.gz XCONTEVXFSZLLU-UNMCSNQZSA-N 1 0 496.722 2.544 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCC1CC[NH+](CC)CC1 ZINC001291545219 1064089163 /nfs/dbraw/zinc/08/91/63/1064089163.db2.gz XCONTEVXFSZLLU-RBBKRZOGSA-N 1 0 496.722 2.544 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccccc3OC)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296031568 1064089367 /nfs/dbraw/zinc/08/93/67/1064089367.db2.gz VVVXJVCIOGSGBT-LJQANCHMSA-N 1 0 470.618 2.655 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(F)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001296031612 1064089665 /nfs/dbraw/zinc/08/96/65/1064089665.db2.gz XWOFGVGOTLLGLY-HXUWFJFHSA-N 1 0 479.622 2.742 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@H](NC(C)=O)C2)C1 ZINC001296033164 1064091459 /nfs/dbraw/zinc/09/14/59/1064091459.db2.gz KNSOTCPDKVKIJW-IRLDBZIGSA-N 1 0 467.618 2.594 20 0 JFADRO CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291560271 1064092335 /nfs/dbraw/zinc/09/23/35/1064092335.db2.gz QVNORTLBRZZSIJ-VXKWHMMOSA-N 1 0 461.699 2.760 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001296034586 1064093063 /nfs/dbraw/zinc/09/30/63/1064093063.db2.gz VWUPJKSPNFLFAH-NVXWUHKLSA-N 1 0 488.580 2.885 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296034683 1064093522 /nfs/dbraw/zinc/09/35/22/1064093522.db2.gz WXKZFGFHKZXSAH-UWVAXJGDSA-N 1 0 465.595 2.522 20 0 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CS[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C[C@H]1[NH+]1CCCC1 ZINC001296064884 1064130804 /nfs/dbraw/zinc/13/08/04/1064130804.db2.gz SBSOBAASHSNMTJ-QZTJIDSGSA-N 1 0 457.687 2.503 20 0 JFADRO CS[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)C[C@@H]1[NH+]1CCCC1 ZINC001296066263 1064131728 /nfs/dbraw/zinc/13/17/28/1064131728.db2.gz VVULXBXDNSYMAZ-UONOGXRCSA-N 1 0 456.353 2.591 20 0 JFADRO CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296066439 1064131992 /nfs/dbraw/zinc/13/19/92/1064131992.db2.gz XZHNLGOCCKARNO-JOCHJYFZSA-N 1 0 457.596 2.681 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1F ZINC001296067895 1064133434 /nfs/dbraw/zinc/13/34/34/1064133434.db2.gz LHGLZFAROCGMAY-AEFFLSMTSA-N 1 0 453.559 2.579 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1 ZINC001296068632 1064134864 /nfs/dbraw/zinc/13/48/64/1064134864.db2.gz QKQOGKYANORMMX-TYPHKJRUSA-N 1 0 482.695 2.500 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001296068844 1064135162 /nfs/dbraw/zinc/13/51/62/1064135162.db2.gz SKPRIXGFXPMNRY-QRVBRYPASA-N 1 0 475.638 2.549 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001296070632 1064135640 /nfs/dbraw/zinc/13/56/40/1064135640.db2.gz BZRNHNUYXKYYPU-XLIONFOSSA-N 1 0 451.612 2.752 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001296070519 1064135673 /nfs/dbraw/zinc/13/56/73/1064135673.db2.gz AJSTYQCOSPMELB-OAQYLSRUSA-N 1 0 455.607 2.663 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296072624 1064137087 /nfs/dbraw/zinc/13/70/87/1064137087.db2.gz DNBCTLMFJZSSAY-GGAORHGYSA-N 1 0 489.686 2.960 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296073635 1064138951 /nfs/dbraw/zinc/13/89/51/1064138951.db2.gz GDARXRMUXGDIPS-BWKNWUBXSA-N 1 0 470.618 2.538 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001296074534 1064140471 /nfs/dbraw/zinc/14/04/71/1064140471.db2.gz LIQYYLJOEUSKCV-KGMZSHBCSA-N 1 0 472.659 2.762 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074573 1064140920 /nfs/dbraw/zinc/14/09/20/1064140920.db2.gz LNRRXRUBHZYQRT-ZWKOTPCHSA-N 1 0 450.628 2.790 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C ZINC001296075655 1064142712 /nfs/dbraw/zinc/14/27/12/1064142712.db2.gz PJKRQCAXSZUPSD-MOPGFXCFSA-N 1 0 477.654 2.795 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001296076515 1064144988 /nfs/dbraw/zinc/14/49/88/1064144988.db2.gz XKJKXBLXDRSLPY-KRWDZBQOSA-N 1 0 452.525 2.868 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296078920 1064145575 /nfs/dbraw/zinc/14/55/75/1064145575.db2.gz AIXYRWTTYUNQGM-TZIWHRDSSA-N 1 0 467.618 2.723 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296079415 1064147332 /nfs/dbraw/zinc/14/73/32/1064147332.db2.gz GAAQCBFOOFECCF-IBGZPJMESA-N 1 0 461.010 2.944 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCS(C)(=O)=O ZINC001296081325 1064148629 /nfs/dbraw/zinc/14/86/29/1064148629.db2.gz SGSMKCPKZHIACA-IBGZPJMESA-N 1 0 471.631 2.690 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296081432 1064149317 /nfs/dbraw/zinc/14/93/17/1064149317.db2.gz UBZVWYUHDRXRJF-PKOBYXMFSA-N 1 0 450.591 2.910 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296081452 1064149345 /nfs/dbraw/zinc/14/93/45/1064149345.db2.gz UJCQDKJPJBNQPA-JTSKRJEESA-N 1 0 492.466 2.883 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296081478 1064149757 /nfs/dbraw/zinc/14/97/57/1064149757.db2.gz UYGALWIGKHDJPL-GOEBONIOSA-N 1 0 464.412 2.612 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 ZINC001296082050 1064149860 /nfs/dbraw/zinc/14/98/60/1064149860.db2.gz ZTUNJVACRADCHJ-WOJBJXKFSA-N 1 0 488.608 2.727 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001291613182 1064150926 /nfs/dbraw/zinc/15/09/26/1064150926.db2.gz CWENELDNXUKMRN-TZIWHRDSSA-N 1 0 486.665 2.582 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001291613498 1064150952 /nfs/dbraw/zinc/15/09/52/1064150952.db2.gz FXAOHKRWPHQXLK-KNQAVFIVSA-N 1 0 470.666 2.762 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296084380 1064151798 /nfs/dbraw/zinc/15/17/98/1064151798.db2.gz MMWJGSAILJGSDK-LJQANCHMSA-N 1 0 478.638 2.724 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296084800 1064152192 /nfs/dbraw/zinc/15/21/92/1064152192.db2.gz OVPGFNOZNHDZCM-PMACEKPBSA-N 1 0 489.665 2.939 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084973 1064153311 /nfs/dbraw/zinc/15/33/11/1064153311.db2.gz BLIPIALLZVIYSH-WOJBJXKFSA-N 1 0 489.665 2.545 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001291616199 1064153691 /nfs/dbraw/zinc/15/36/91/1064153691.db2.gz DXVGTJQCZODWEJ-RKDVLTNBSA-N 1 0 466.696 2.774 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291617023 1064155080 /nfs/dbraw/zinc/15/50/80/1064155080.db2.gz NVAQDHFEUYHSQR-RTBURBONSA-N 1 0 463.696 2.642 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087095 1064155532 /nfs/dbraw/zinc/15/55/32/1064155532.db2.gz JQPATBYGEIGQQZ-HLAWJBBLSA-N 1 0 490.674 2.891 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087096 1064155612 /nfs/dbraw/zinc/15/56/12/1064155612.db2.gz JQPATBYGEIGQQZ-HMXCVIKNSA-N 1 0 490.674 2.891 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087941 1064157275 /nfs/dbraw/zinc/15/72/75/1064157275.db2.gz PFHADAVJFORATC-PMACEKPBSA-N 1 0 478.638 2.688 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)n1CC[N@H+](CC)C(C)C ZINC001291621551 1064161969 /nfs/dbraw/zinc/16/19/69/1064161969.db2.gz VFCKPROPIPXXJU-RTBURBONSA-N 1 0 454.627 2.675 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001296091756 1064163049 /nfs/dbraw/zinc/16/30/49/1064163049.db2.gz BPZOVAXPZKOZKT-TZIWHRDSSA-N 1 0 459.664 2.813 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296091777 1064163072 /nfs/dbraw/zinc/16/30/72/1064163072.db2.gz BVGNLCYEDIGNMG-LEWJYISDSA-N 1 0 454.619 2.648 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001296093211 1064165078 /nfs/dbraw/zinc/16/50/78/1064165078.db2.gz MEZGQPMFWGMRKZ-FQEVSTJZSA-N 1 0 470.618 2.929 20 0 JFADRO CCN(c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296092618 1064165104 /nfs/dbraw/zinc/16/51/04/1064165104.db2.gz JCKAQWHTZFPKSN-SFTDATJTSA-N 1 0 475.659 2.787 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001296093493 1064165624 /nfs/dbraw/zinc/16/56/24/1064165624.db2.gz NYXFZLDZFDDJBJ-MDNUFGMLSA-N 1 0 483.661 2.506 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 ZINC001296093566 1064165891 /nfs/dbraw/zinc/16/58/91/1064165891.db2.gz PLNNZDNGXAWCSJ-OAQYLSRUSA-N 1 0 454.619 2.736 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001296094001 1064165912 /nfs/dbraw/zinc/16/59/12/1064165912.db2.gz SXUWWSBDFXIFKU-IBGZPJMESA-N 1 0 451.541 2.823 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001296094849 1064166992 /nfs/dbraw/zinc/16/69/92/1064166992.db2.gz AKVSCYZCLSBYEB-PWRODBHTSA-N 1 0 496.722 2.589 20 0 JFADRO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1=O ZINC001296095327 1064168357 /nfs/dbraw/zinc/16/83/57/1064168357.db2.gz HCHNIHSFMQLYAN-LJQANCHMSA-N 1 0 475.663 2.620 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291628819 1064172095 /nfs/dbraw/zinc/17/20/95/1064172095.db2.gz PKJUMMOLPPGCEU-GSPCLOLRSA-N 1 0 473.710 2.902 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001291629026 1064173108 /nfs/dbraw/zinc/17/31/08/1064173108.db2.gz CKGNUDXLBZMXGR-UGKGYDQZSA-N 1 0 459.683 2.703 20 0 JFADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1=O ZINC001296100211 1064173243 /nfs/dbraw/zinc/17/32/43/1064173243.db2.gz GFRJLVBGCSNWEP-LAUBAEHRSA-N 1 0 458.582 2.956 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637115 1064184616 /nfs/dbraw/zinc/18/46/16/1064184616.db2.gz DFJWTOPNGIVJSP-PMACEKPBSA-N 1 0 452.607 2.676 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001291639003 1064186588 /nfs/dbraw/zinc/18/65/88/1064186588.db2.gz LCJFEIOGMSMRAU-QZTJIDSGSA-N 1 0 452.607 2.713 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCC[C@H](O)C1 ZINC001291640388 1064189456 /nfs/dbraw/zinc/18/94/56/1064189456.db2.gz RQAIQXONCQUIHG-GSPCLOLRSA-N 1 0 462.683 2.574 20 0 JFADRO CCN1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](CC(C)C)[NH+](C)C)CC1=O ZINC001296111026 1064190396 /nfs/dbraw/zinc/19/03/96/1064190396.db2.gz UIZZMOMSGKXXKR-UGKGYDQZSA-N 1 0 470.618 2.826 20 0 JFADRO CCN1CCCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)CC1=O ZINC001296111428 1064191286 /nfs/dbraw/zinc/19/12/86/1064191286.db2.gz MNZCYWVMGUNLHA-HXUWFJFHSA-N 1 0 491.681 2.791 20 0 JFADRO CCN1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1=O ZINC001296112557 1064193782 /nfs/dbraw/zinc/19/37/82/1064193782.db2.gz VEKASTAZTHZTLE-QFIPXVFZSA-N 1 0 470.618 2.567 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001291644323 1064197842 /nfs/dbraw/zinc/19/78/42/1064197842.db2.gz OBCWXWCEEVVUAO-KNQAVFIVSA-N 1 0 490.674 2.719 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001291644324 1064197847 /nfs/dbraw/zinc/19/78/47/1064197847.db2.gz OBCWXWCEEVVUAO-SIKLNZKXSA-N 1 0 490.674 2.719 20 0 JFADRO CCN1CCCN(c2nnc(COc3cc(C)ccc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC001296117654 1064198318 /nfs/dbraw/zinc/19/83/18/1064198318.db2.gz TZTVMGVKAXUXPN-UHFFFAOYSA-N 1 0 497.688 2.559 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCCCC[NH+]1CCCCC1 ZINC001291644525 1064198392 /nfs/dbraw/zinc/19/83/92/1064198392.db2.gz QNOWTHPQZYXRAT-UXHICEINSA-N 1 0 454.685 2.918 20 0 JFADRO CCN1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](CC)C2CC2)CC1=O ZINC001296118952 1064202639 /nfs/dbraw/zinc/20/26/39/1064202639.db2.gz MFEXJCPHJCNEJA-KDURUIRLSA-N 1 0 489.665 2.592 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001291652170 1064205180 /nfs/dbraw/zinc/20/51/80/1064205180.db2.gz RIQQOAZCKOQIMZ-CTNGQTDRSA-N 1 0 467.618 2.786 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOC)CC1 ZINC001296120055 1064207332 /nfs/dbraw/zinc/20/73/32/1064207332.db2.gz DFZJIOVKQTVGHR-MRXNPFEDSA-N 1 0 483.430 2.955 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001296120378 1064209405 /nfs/dbraw/zinc/20/94/05/1064209405.db2.gz IHQDWRANOVPOTE-QFIPXVFZSA-N 1 0 467.662 2.780 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CC2)CC1 ZINC001296121814 1064213672 /nfs/dbraw/zinc/21/36/72/1064213672.db2.gz QZFONFYFXMJFDU-OAHLLOKOSA-N 1 0 450.429 2.671 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296122347 1064214552 /nfs/dbraw/zinc/21/45/52/1064214552.db2.gz VXNAINAMJUSWDV-OALUTQOASA-N 1 0 474.053 2.682 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001296122877 1064215372 /nfs/dbraw/zinc/21/53/72/1064215372.db2.gz ZODLHUPJDWMKQS-VQTJNVASSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296125185 1064218429 /nfs/dbraw/zinc/21/84/29/1064218429.db2.gz LDWIREGLSNHEEC-ZWKOTPCHSA-N 1 0 463.026 2.858 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296125297 1064218675 /nfs/dbraw/zinc/21/86/75/1064218675.db2.gz LUCNMUNAFYDOBO-OALUTQOASA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296125294 1064218703 /nfs/dbraw/zinc/21/87/03/1064218703.db2.gz LUCNMUNAFYDOBO-MOPGFXCFSA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125236 1064218772 /nfs/dbraw/zinc/21/87/72/1064218772.db2.gz LKZUGSXZNLMZQA-WOJBJXKFSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296125555 1064219218 /nfs/dbraw/zinc/21/92/18/1064219218.db2.gz MOBMYPYUIVTBSM-NRFANRHFSA-N 1 0 492.672 2.728 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296125570 1064219591 /nfs/dbraw/zinc/21/95/91/1064219591.db2.gz MUSHGNSEPDCKJD-IEBWSBKVSA-N 1 0 462.042 2.881 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126026 1064219994 /nfs/dbraw/zinc/21/99/94/1064219994.db2.gz OQZOFFSVCSEMNL-GOSISDBHSA-N 1 0 483.617 2.921 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001296126428 1064220419 /nfs/dbraw/zinc/22/04/19/1064220419.db2.gz PZVFKKQGCYRESS-IBGZPJMESA-N 1 0 472.634 2.951 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296126841 1064220807 /nfs/dbraw/zinc/22/08/07/1064220807.db2.gz RWIZWZLBNPTKTF-SFHVURJKSA-N 1 0 462.042 2.587 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296128055 1064222418 /nfs/dbraw/zinc/22/24/18/1064222418.db2.gz XLQUUMHXIKKNIL-QFIPXVFZSA-N 1 0 481.689 2.974 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+]1CC=CCC1 ZINC001291705706 1064223119 /nfs/dbraw/zinc/22/31/19/1064223119.db2.gz UZQAZDIICNLPQI-IBGZPJMESA-N 1 0 460.648 2.940 20 0 JFADRO C[NH+](C)CCN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC001291711366 1064223556 /nfs/dbraw/zinc/22/35/56/1064223556.db2.gz OLBOSCQDXJDVHM-UHFFFAOYSA-N 1 0 457.518 2.617 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296130770 1064224084 /nfs/dbraw/zinc/22/40/84/1064224084.db2.gz FTIMXEQFBUFLMR-HXUWFJFHSA-N 1 0 466.634 2.740 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1([NH+](C)C)CCOCC1 ZINC001291713707 1064224573 /nfs/dbraw/zinc/22/45/73/1064224573.db2.gz KMHYTEKSMVBOOE-SFHVURJKSA-N 1 0 467.618 2.785 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296130960 1064224749 /nfs/dbraw/zinc/22/47/49/1064224749.db2.gz GVRLFKXUILOUEK-HXUWFJFHSA-N 1 0 474.723 2.590 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@H](C)c2ccccc2)CC1 ZINC001296131209 1064224911 /nfs/dbraw/zinc/22/49/11/1064224911.db2.gz IMKGYFRTGREJPJ-FCHUYYIVSA-N 1 0 492.672 2.955 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC001296131211 1064225103 /nfs/dbraw/zinc/22/51/03/1064225103.db2.gz IMKGYFRTGREJPJ-VXKWHMMOSA-N 1 0 492.672 2.955 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296131319 1064225365 /nfs/dbraw/zinc/22/53/65/1064225365.db2.gz JNPOBYKEGUWKNI-NRFANRHFSA-N 1 0 465.650 2.720 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC001296131560 1064226394 /nfs/dbraw/zinc/22/63/94/1064226394.db2.gz LRZAFTBSIQVVAD-LJQANCHMSA-N 1 0 458.655 2.752 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296132040 1064228294 /nfs/dbraw/zinc/22/82/94/1064228294.db2.gz QGAYBGIDIMMISS-OAQYLSRUSA-N 1 0 475.632 2.590 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296132099 1064228353 /nfs/dbraw/zinc/22/83/53/1064228353.db2.gz QXKCWYGJIZHFTN-SQNIBIBYSA-N 1 0 463.721 2.990 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296132291 1064229594 /nfs/dbraw/zinc/22/95/94/1064229594.db2.gz AOWCXZOIMXUNRH-NBGIEHNGSA-N 1 0 485.702 2.607 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001296132554 1064230277 /nfs/dbraw/zinc/23/02/77/1064230277.db2.gz BKJUHQSIZZERMG-QFIPXVFZSA-N 1 0 497.688 2.605 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296132632 1064231154 /nfs/dbraw/zinc/23/11/54/1064231154.db2.gz CGIPUOCPSBWRDX-GOTSBHOMSA-N 1 0 497.688 2.557 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296132697 1064231675 /nfs/dbraw/zinc/23/16/75/1064231675.db2.gz VBUMWXPWASBIQY-RLSLOFABSA-N 1 0 475.682 2.606 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296132927 1064232131 /nfs/dbraw/zinc/23/21/31/1064232131.db2.gz FABSAUUGUYIILX-FSSWDIPSSA-N 1 0 456.635 2.805 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132873 1064232298 /nfs/dbraw/zinc/23/22/98/1064232298.db2.gz XDFYJIYBJAKCGP-QRVBRYPASA-N 1 0 462.589 2.787 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296132943 1064232562 /nfs/dbraw/zinc/23/25/62/1064232562.db2.gz FCAQUBBXTSHUIX-QFIPXVFZSA-N 1 0 475.726 2.584 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296133008 1064232613 /nfs/dbraw/zinc/23/26/13/1064232613.db2.gz SGJJUQYUVBUJNV-LJQANCHMSA-N 1 0 453.635 2.568 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(N)=O)(c3ccccc3)CC2)CC1 ZINC001296133273 1064232993 /nfs/dbraw/zinc/23/29/93/1064232993.db2.gz YYMUWRGOLRLBKQ-JOCHJYFZSA-N 1 0 495.716 2.916 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296133359 1064233032 /nfs/dbraw/zinc/23/30/32/1064233032.db2.gz ZTFWBKNBDALAFA-FQEVSTJZSA-N 1 0 488.652 2.869 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296133547 1064233653 /nfs/dbraw/zinc/23/36/53/1064233653.db2.gz IKDFAHXIQPHKER-CEMLEFRQSA-N 1 0 490.693 2.612 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2Nc2cnn(C)c2)CC1 ZINC001296133593 1064233980 /nfs/dbraw/zinc/23/39/80/1064233980.db2.gz JMNBAEJJOUCNMD-FQEVSTJZSA-N 1 0 452.607 2.977 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296133598 1064234265 /nfs/dbraw/zinc/23/42/65/1064234265.db2.gz JNXNFROKTUWPKE-FGZHOGPDSA-N 1 0 456.635 2.725 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296133845 1064234897 /nfs/dbraw/zinc/23/48/97/1064234897.db2.gz VPIYUSCOLVHVKW-INIZCTEOSA-N 1 0 456.557 2.919 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752384 1064235158 /nfs/dbraw/zinc/23/51/58/1064235158.db2.gz IZIBZXPFZIGMPZ-OALUTQOASA-N 1 0 477.654 2.690 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296134674 1064236583 /nfs/dbraw/zinc/23/65/83/1064236583.db2.gz ZMTRTGVPNBPYOX-UWJYYQICSA-N 1 0 475.588 2.560 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001291754816 1064237037 /nfs/dbraw/zinc/23/70/37/1064237037.db2.gz YAIYGZAWYBAVLH-QGZVFWFLSA-N 1 0 466.590 2.530 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001291754942 1064237358 /nfs/dbraw/zinc/23/73/58/1064237358.db2.gz YMUZNKKBEVGSCZ-RTBURBONSA-N 1 0 474.679 2.584 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296134938 1064237610 /nfs/dbraw/zinc/23/76/10/1064237610.db2.gz TUHQUROUDRTMRG-DHLKQENFSA-N 1 0 472.682 2.561 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001291758697 1064238539 /nfs/dbraw/zinc/23/85/39/1064238539.db2.gz BQEZGEBFWXMYDN-MJGOQNOKSA-N 1 0 491.036 2.981 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001291759454 1064239660 /nfs/dbraw/zinc/23/96/60/1064239660.db2.gz FRALZYGOYJYRFV-KBPBESRZSA-N 1 0 454.417 2.584 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296135473 1064239639 /nfs/dbraw/zinc/23/96/39/1064239639.db2.gz YYGUDOZQDVQKRL-QMCAAQAGSA-N 1 0 462.683 2.836 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296135779 1064240566 /nfs/dbraw/zinc/24/05/66/1064240566.db2.gz BTKKPVDSTVDXHD-XUZZJYLKSA-N 1 0 497.688 2.884 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296135827 1064240580 /nfs/dbraw/zinc/24/05/80/1064240580.db2.gz CYKOKYQDAWHFCL-ADUORFRMSA-N 1 0 474.675 2.529 20 0 JFADRO COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001296136360 1064241402 /nfs/dbraw/zinc/24/14/02/1064241402.db2.gz IZYYSJLGJRLVCM-FYYLOGMGSA-N 1 0 450.583 2.762 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001291760760 1064241794 /nfs/dbraw/zinc/24/17/94/1064241794.db2.gz NOXIWWDZHSMIEA-KRWDZBQOSA-N 1 0 471.009 2.916 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001291762647 1064243812 /nfs/dbraw/zinc/24/38/12/1064243812.db2.gz ZBQBLIZISGFKQH-SFHVURJKSA-N 1 0 470.618 2.952 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001291762646 1064243925 /nfs/dbraw/zinc/24/39/25/1064243925.db2.gz ZBQBLIZISGFKQH-GOSISDBHSA-N 1 0 470.618 2.952 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001291765330 1064245679 /nfs/dbraw/zinc/24/56/79/1064245679.db2.gz LAPLMFHGBUMHOD-FGZHOGPDSA-N 1 0 497.688 2.817 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)C[C@H]1C ZINC001296140941 1064246615 /nfs/dbraw/zinc/24/66/15/1064246615.db2.gz ALDNZVGCBQBRAZ-UXHICEINSA-N 1 0 453.591 2.767 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC2(O)CCCC2)C[C@H]1C ZINC001296140891 1064246653 /nfs/dbraw/zinc/24/66/53/1064246653.db2.gz ACFBQAQHWOUBBQ-QGZVFWFLSA-N 1 0 459.591 2.806 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001291766201 1064247679 /nfs/dbraw/zinc/24/76/79/1064247679.db2.gz BFRBIQRJUKHERI-FBBABVLZSA-N 1 0 466.586 2.584 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2sc(C)nc2C)C[C@H]1C ZINC001296141796 1064248227 /nfs/dbraw/zinc/24/82/27/1064248227.db2.gz ADQAPLKNAPYUFD-OAHLLOKOSA-N 1 0 454.604 2.772 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001291770932 1064252270 /nfs/dbraw/zinc/25/22/70/1064252270.db2.gz AUGZYBGZZWLNKR-JOCHJYFZSA-N 1 0 496.704 2.950 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296143388 1064252547 /nfs/dbraw/zinc/25/25/47/1064252547.db2.gz PSNUFOJDCBXGMB-PKOBYXMFSA-N 1 0 477.679 2.748 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001291771372 1064253803 /nfs/dbraw/zinc/25/38/03/1064253803.db2.gz DKXZOZNQACIEID-MOPGFXCFSA-N 1 0 483.617 2.954 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001291771374 1064253880 /nfs/dbraw/zinc/25/38/80/1064253880.db2.gz DKXZOZNQACIEID-OALUTQOASA-N 1 0 483.617 2.954 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001291771518 1064254329 /nfs/dbraw/zinc/25/43/29/1064254329.db2.gz IYFPTISLNSITAR-OAQYLSRUSA-N 1 0 461.614 2.962 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(COC)CC1 ZINC001291772485 1064256121 /nfs/dbraw/zinc/25/61/21/1064256121.db2.gz PAMMOOBLWQQKBZ-GOSISDBHSA-N 1 0 477.679 2.831 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001291772830 1064256743 /nfs/dbraw/zinc/25/67/43/1064256743.db2.gz CQFUEQZBNGJLLI-JQHSSLGASA-N 1 0 459.607 2.782 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCNC(=O)c2ccco2)C[C@@H]1C ZINC001296146663 1064257246 /nfs/dbraw/zinc/25/72/46/1064257246.db2.gz LFZSKDAICGYJOW-KRWDZBQOSA-N 1 0 498.584 2.524 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2C)C1 ZINC001291773648 1064259359 /nfs/dbraw/zinc/25/93/59/1064259359.db2.gz ILTGHKZLJCXIGX-TUNNFDKTSA-N 1 0 475.659 2.797 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001291773727 1064260246 /nfs/dbraw/zinc/26/02/46/1064260246.db2.gz VQXOPHXMDDNJNW-WXTAPIANSA-N 1 0 494.644 2.668 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291773900 1064260633 /nfs/dbraw/zinc/26/06/33/1064260633.db2.gz WBIRHSVKTFAKGO-OALUTQOASA-N 1 0 477.679 2.831 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296149826 1064261757 /nfs/dbraw/zinc/26/17/57/1064261757.db2.gz LBAOQKQKPFMHDY-ICSRJNTNSA-N 1 0 470.618 2.751 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001296153986 1064263743 /nfs/dbraw/zinc/26/37/43/1064263743.db2.gz ICGQZYDFFIRWPK-KRWDZBQOSA-N 1 0 452.559 2.945 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291775775 1064264814 /nfs/dbraw/zinc/26/48/14/1064264814.db2.gz ZMFWXRLWPVCTQK-SPEDKVCISA-N 1 0 456.591 2.578 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001296154472 1064265337 /nfs/dbraw/zinc/26/53/37/1064265337.db2.gz FWCRCAUSZHTXJM-WMLDXEAASA-N 1 0 452.481 2.707 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001291777037 1064265372 /nfs/dbraw/zinc/26/53/72/1064265372.db2.gz BCUTZQMRJYGDIX-KNQAVFIVSA-N 1 0 453.635 2.948 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001291776995 1064265390 /nfs/dbraw/zinc/26/53/90/1064265390.db2.gz APSFUSVBUDJHBG-PKTZIBPZSA-N 1 0 496.704 2.517 20 0 JFADRO CCn1nc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CCCCCCO)c2ccccc2c1=O ZINC001296154507 1064265513 /nfs/dbraw/zinc/26/55/13/1064265513.db2.gz GOMIGFRFKZGGCY-LJQANCHMSA-N 1 0 467.618 2.758 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001296154804 1064265936 /nfs/dbraw/zinc/26/59/36/1064265936.db2.gz KFYFVYNXEBVEDL-RBUKOAKNSA-N 1 0 470.622 2.913 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001296155706 1064267117 /nfs/dbraw/zinc/26/71/17/1064267117.db2.gz RZMONDDRJHPOFP-HOYKHHGWSA-N 1 0 454.575 2.918 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 ZINC001291781559 1064268996 /nfs/dbraw/zinc/26/89/96/1064268996.db2.gz GDBJKXBOHVRAKE-OXJNMPFZSA-N 1 0 458.636 2.676 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296157504 1064269963 /nfs/dbraw/zinc/26/99/63/1064269963.db2.gz YJSPLBRSCLVYOI-CMKODMSKSA-N 1 0 470.622 2.911 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291782521 1064271590 /nfs/dbraw/zinc/27/15/90/1064271590.db2.gz PTWSHVNSIOEIBS-FKBYEOEOSA-N 1 0 473.710 2.587 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291782545 1064272491 /nfs/dbraw/zinc/27/24/91/1064272491.db2.gz FEUREZIXDDRQSL-PMACEKPBSA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291782592 1064272512 /nfs/dbraw/zinc/27/25/12/1064272512.db2.gz QRUOXJYNIPTCCE-IBGZPJMESA-N 1 0 470.618 2.881 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 ZINC001291782631 1064273575 /nfs/dbraw/zinc/27/35/75/1064273575.db2.gz FUGPRXMKTVANNV-UGKGYDQZSA-N 1 0 470.618 2.717 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001296159501 1064273769 /nfs/dbraw/zinc/27/37/69/1064273769.db2.gz MHGCNPNLWVFYES-AEFFLSMTSA-N 1 0 468.524 2.891 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(=O)N(C)C)c2)C[C@@H]1C ZINC001296160491 1064274299 /nfs/dbraw/zinc/27/42/99/1064274299.db2.gz HEXVVCGXKWSMDD-FQEVSTJZSA-N 1 0 461.614 2.739 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001291783336 1064275802 /nfs/dbraw/zinc/27/58/02/1064275802.db2.gz ZXBQSJYYSRVVJH-OALUTQOASA-N 1 0 468.606 2.524 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296162294 1064276061 /nfs/dbraw/zinc/27/60/61/1064276061.db2.gz NIKWJJGEDDFHBN-KRWDZBQOSA-N 1 0 459.545 2.569 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001296163053 1064276185 /nfs/dbraw/zinc/27/61/85/1064276185.db2.gz VWTGVWMUFZBWAR-RTBURBONSA-N 1 0 450.628 2.960 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CCOc2ccccc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291783410 1064276395 /nfs/dbraw/zinc/27/63/95/1064276395.db2.gz LGDZTCMJLGWBFA-IBGZPJMESA-N 1 0 456.591 2.709 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291783650 1064276956 /nfs/dbraw/zinc/27/69/56/1064276956.db2.gz BJVOTMHJCLESJD-FHWLQOOXSA-N 1 0 477.654 2.795 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001291783648 1064276980 /nfs/dbraw/zinc/27/69/80/1064276980.db2.gz BIUMYAWQCWEHRQ-RBBKRZOGSA-N 1 0 469.634 2.621 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001291783646 1064277141 /nfs/dbraw/zinc/27/71/41/1064277141.db2.gz BIUMYAWQCWEHRQ-IFMALSPDSA-N 1 0 469.634 2.621 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001291784070 1064278203 /nfs/dbraw/zinc/27/82/03/1064278203.db2.gz QKRSGUVUFSIJKQ-FQEVSTJZSA-N 1 0 466.634 2.902 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001291784339 1064278928 /nfs/dbraw/zinc/27/89/28/1064278928.db2.gz FZPODYMSDOFFBT-WIYYLYMNSA-N 1 0 458.582 2.961 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784489 1064279555 /nfs/dbraw/zinc/27/95/55/1064279555.db2.gz RWGOQFTYPHFHDC-YADARESESA-N 1 0 491.658 2.611 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(N2C[C@]3(CCOC3)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291784676 1064279973 /nfs/dbraw/zinc/27/99/73/1064279973.db2.gz HRXDDUOFWRCMDA-OPXMRZJTSA-N 1 0 479.666 2.823 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001291784970 1064280527 /nfs/dbraw/zinc/28/05/27/1064280527.db2.gz UBEJWKSJHFSOSI-IBGZPJMESA-N 1 0 499.635 2.799 20 0 JFADRO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC001291786895 1064283541 /nfs/dbraw/zinc/28/35/41/1064283541.db2.gz WVVLUEREYLCKGV-OAQYLSRUSA-N 1 0 457.546 2.927 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001291787072 1064284199 /nfs/dbraw/zinc/28/41/99/1064284199.db2.gz XXBPPABZBYQQGR-KRWDZBQOSA-N 1 0 467.661 2.544 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291787310 1064284780 /nfs/dbraw/zinc/28/47/80/1064284780.db2.gz ZHZSSCCFZFMOHU-PUHATCMVSA-N 1 0 490.693 2.961 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296166222 1064286751 /nfs/dbraw/zinc/28/67/51/1064286751.db2.gz NHBGFRHKKJANAT-FGZHOGPDSA-N 1 0 456.635 2.664 20 0 JFADRO CCn1cccc(Cn2c(COc3cccc(C)c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1=O ZINC001296166188 1064286842 /nfs/dbraw/zinc/28/68/42/1064286842.db2.gz MGGJVNKVBAWXJF-HXUWFJFHSA-N 1 0 450.587 2.926 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001296166229 1064287529 /nfs/dbraw/zinc/28/75/29/1064287529.db2.gz NIMRMCKPRZQYGS-KRWDZBQOSA-N 1 0 468.524 2.683 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001296166652 1064287555 /nfs/dbraw/zinc/28/75/55/1064287555.db2.gz NMCSVQHLIUIXAD-FQEVSTJZSA-N 1 0 467.618 2.930 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296166223 1064287844 /nfs/dbraw/zinc/28/78/44/1064287844.db2.gz NHBGFRHKKJANAT-VXKWHMMOSA-N 1 0 456.635 2.664 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2ccccn2)C[C@H]1C ZINC001296166700 1064287951 /nfs/dbraw/zinc/28/79/51/1064287951.db2.gz ONINIWKIAJOSNR-GOSISDBHSA-N 1 0 468.631 2.697 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(=O)NC)C[C@@H]1C ZINC001296167392 1064290851 /nfs/dbraw/zinc/29/08/51/1064290851.db2.gz SFPRTVDFXFKNSL-SFHVURJKSA-N 1 0 463.026 2.918 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296168967 1064292505 /nfs/dbraw/zinc/29/25/05/1064292505.db2.gz ZHJZFEALDCNJFC-IBGZPJMESA-N 1 0 458.607 2.955 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001296171973 1064293830 /nfs/dbraw/zinc/29/38/30/1064293830.db2.gz XBAFDAJVZDSIMP-QGZVFWFLSA-N 1 0 483.642 2.603 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001296171971 1064294044 /nfs/dbraw/zinc/29/40/44/1064294044.db2.gz XBAFDAJVZDSIMP-KRWDZBQOSA-N 1 0 483.642 2.603 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296173140 1064294766 /nfs/dbraw/zinc/29/47/66/1064294766.db2.gz BUFKUNDUIQZPGN-QHCPKHFHSA-N 1 0 497.688 2.915 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cccnc2OC)C[C@@H]1C ZINC001296173954 1064300654 /nfs/dbraw/zinc/30/06/54/1064300654.db2.gz NELAZPDAEWNBOH-SFHVURJKSA-N 1 0 452.559 2.848 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296174172 1064301207 /nfs/dbraw/zinc/30/12/07/1064301207.db2.gz PFCMTIXYJNPTTP-MWRIXTAVSA-N 1 0 461.582 2.579 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296174444 1064301685 /nfs/dbraw/zinc/30/16/85/1064301685.db2.gz QPILIONQBQCFGA-XXBNENTESA-N 1 0 483.661 2.646 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001296175053 1064303805 /nfs/dbraw/zinc/30/38/05/1064303805.db2.gz VMKYAAXNWBMHCY-QRVBRYPASA-N 1 0 491.681 2.884 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC[S@](=O)CC)C2)CC1 ZINC001296178546 1064305810 /nfs/dbraw/zinc/30/58/10/1064305810.db2.gz ACFBXAWDRVCVIV-TYFQNXAESA-N 1 0 496.628 2.531 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291797099 1064306270 /nfs/dbraw/zinc/30/62/70/1064306270.db2.gz WPTQNUVCBYKVDR-FQEVSTJZSA-N 1 0 469.634 2.982 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291797562 1064307065 /nfs/dbraw/zinc/30/70/65/1064307065.db2.gz XUCQXXJQXIQYBX-RBBKRZOGSA-N 1 0 481.645 2.530 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296178736 1064307200 /nfs/dbraw/zinc/30/72/00/1064307200.db2.gz CNLGCBVMUROQER-ZJCBTPCYSA-N 1 0 474.625 2.934 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179143 1064308133 /nfs/dbraw/zinc/30/81/33/1064308133.db2.gz DMSJSOIGIJWRRT-JTHBVZDNSA-N 1 0 456.635 2.575 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001296179903 1064310234 /nfs/dbraw/zinc/31/02/34/1064310234.db2.gz HXHUCLXDCLRHRO-SFHVURJKSA-N 1 0 499.557 2.782 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291798796 1064310929 /nfs/dbraw/zinc/31/09/29/1064310929.db2.gz YXKKUGVZRLOELC-SFHVURJKSA-N 1 0 458.607 2.798 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001296180519 1064311434 /nfs/dbraw/zinc/31/14/34/1064311434.db2.gz NTOXZBIVFDUXAR-LJQANCHMSA-N 1 0 492.043 2.726 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C2)CC1 ZINC001296181123 1064313581 /nfs/dbraw/zinc/31/35/81/1064313581.db2.gz VKUHNVGRZLMANQ-KRWDZBQOSA-N 1 0 450.429 2.908 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001296181751 1064317841 /nfs/dbraw/zinc/31/78/41/1064317841.db2.gz ZXCOIJBROIUJCE-RBBKRZOGSA-N 1 0 455.651 2.926 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001296181965 1064320691 /nfs/dbraw/zinc/32/06/91/1064320691.db2.gz IJKKPEUIOQMTKM-VWNXMTODSA-N 1 0 481.689 2.992 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001296182882 1064325455 /nfs/dbraw/zinc/32/54/55/1064325455.db2.gz ALKAOAQHQOCAHV-XXBNENTESA-N 1 0 488.080 2.977 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296182935 1064325481 /nfs/dbraw/zinc/32/54/81/1064325481.db2.gz BFIKBKOQHJUOCH-NRFANRHFSA-N 1 0 487.693 2.667 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)OC)C2)CC1 ZINC001296183192 1064327603 /nfs/dbraw/zinc/32/76/03/1064327603.db2.gz ZYSUTIRSEPTCED-PWRODBHTSA-N 1 0 462.683 2.838 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183806 1064329717 /nfs/dbraw/zinc/32/97/17/1064329717.db2.gz GHZRGAXCAGADIE-PMACEKPBSA-N 1 0 477.698 2.990 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296184315 1064331000 /nfs/dbraw/zinc/33/10/00/1064331000.db2.gz JOQPBPRIHJHELC-AQNXPRMDSA-N 1 0 486.690 2.529 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296184082 1064331083 /nfs/dbraw/zinc/33/10/83/1064331083.db2.gz IVGBQCJRGDWXBC-MSOLQXFVSA-N 1 0 492.043 2.678 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CC2)CC1 ZINC001296185048 1064333113 /nfs/dbraw/zinc/33/31/13/1064333113.db2.gz NZYKKCVTEDUSQZ-GOSISDBHSA-N 1 0 474.053 2.734 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)CC1 ZINC001296186585 1064334290 /nfs/dbraw/zinc/33/42/90/1064334290.db2.gz WNSLSMDWDXQQJM-FQEVSTJZSA-N 1 0 485.677 2.958 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190368 1064338743 /nfs/dbraw/zinc/33/87/43/1064338743.db2.gz CPLOLIXWMVTKGT-ZWKOTPCHSA-N 1 0 456.557 2.754 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291812494 1064339717 /nfs/dbraw/zinc/33/97/17/1064339717.db2.gz QLCUKITUJAVNNT-OALUTQOASA-N 1 0 458.582 2.690 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001296191560 1064341901 /nfs/dbraw/zinc/34/19/01/1064341901.db2.gz JMGBKZJVLCTLMC-GOSISDBHSA-N 1 0 453.557 2.926 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192043 1064343386 /nfs/dbraw/zinc/34/33/86/1064343386.db2.gz LOUVPVAXCLJMQL-QFIPXVFZSA-N 1 0 467.662 2.619 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296192535 1064346121 /nfs/dbraw/zinc/34/61/21/1064346121.db2.gz FVYWOMRLGYJBQU-NLFFAJNJSA-N 1 0 455.651 2.927 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001296192588 1064346584 /nfs/dbraw/zinc/34/65/84/1064346584.db2.gz GBXDAKBTFWHIIS-IFMALSPDSA-N 1 0 485.652 2.662 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001296192594 1064346699 /nfs/dbraw/zinc/34/66/99/1064346699.db2.gz GBXDAKBTFWHIIS-IRLDBZIGSA-N 1 0 485.652 2.662 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193188 1064349588 /nfs/dbraw/zinc/34/95/88/1064349588.db2.gz HVOVGNZPDRLRSU-YADHBBJMSA-N 1 0 475.726 2.838 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296193648 1064351565 /nfs/dbraw/zinc/35/15/65/1064351565.db2.gz KCKRCITWOSFEIG-HXUWFJFHSA-N 1 0 464.618 2.654 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193708 1064352489 /nfs/dbraw/zinc/35/24/89/1064352489.db2.gz PEGUDNNKFUMLNZ-UNMCSNQZSA-N 1 0 489.709 2.998 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194081 1064354171 /nfs/dbraw/zinc/35/41/71/1064354171.db2.gz LHOBQRRAWKGUCV-ZVDOUQERSA-N 1 0 475.682 2.779 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296194124 1064354557 /nfs/dbraw/zinc/35/45/57/1064354557.db2.gz LSYWRIARCCTCLM-IRLDBZIGSA-N 1 0 486.661 2.851 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194441 1064356021 /nfs/dbraw/zinc/35/60/21/1064356021.db2.gz SKIKHCXBMABKOY-QUCCMNQESA-N 1 0 461.680 2.847 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194694 1064357387 /nfs/dbraw/zinc/35/73/87/1064357387.db2.gz NXBPWNMMSHIZQO-SFHVURJKSA-N 1 0 493.578 2.962 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001296194982 1064358231 /nfs/dbraw/zinc/35/82/31/1064358231.db2.gz UIDDZFKJCZZNNS-WOJBJXKFSA-N 1 0 473.691 2.933 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3F)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001296194893 1064358267 /nfs/dbraw/zinc/35/82/67/1064358267.db2.gz HTDSOAZRQNYNRD-UHFFFAOYSA-N 1 0 471.625 2.561 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195333 1064361051 /nfs/dbraw/zinc/36/10/51/1064361051.db2.gz OTBBKGBCJFBJPI-TUGCOKMYSA-N 1 0 492.709 2.671 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195442 1064361742 /nfs/dbraw/zinc/36/17/42/1064361742.db2.gz KPAAHARITMHRHV-OYRHEFFESA-N 1 0 486.661 2.994 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296196403 1064367238 /nfs/dbraw/zinc/36/72/38/1064367238.db2.gz SZPKSPWOZITTGZ-OAHLLOKOSA-N 1 0 476.427 2.786 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296196501 1064367472 /nfs/dbraw/zinc/36/74/72/1064367472.db2.gz UDVYINJFELCEPK-MOPGFXCFSA-N 1 0 474.053 2.539 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001296196547 1064368030 /nfs/dbraw/zinc/36/80/30/1064368030.db2.gz UIRJXUHKLIHRPM-QGZVFWFLSA-N 1 0 489.466 2.888 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196560 1064368074 /nfs/dbraw/zinc/36/80/74/1064368074.db2.gz USVKFNBIDZZDQG-BJLQDIEVSA-N 1 0 483.583 2.713 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001291824114 1064369855 /nfs/dbraw/zinc/36/98/55/1064369855.db2.gz VFBDMSBMBRXNOW-XPNTWCBSSA-N 1 0 485.652 2.742 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC001296196914 1064370158 /nfs/dbraw/zinc/37/01/58/1064370158.db2.gz VVRIBQQGQQGOPB-GOSISDBHSA-N 1 0 479.633 2.898 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001296196862 1064370479 /nfs/dbraw/zinc/37/04/79/1064370479.db2.gz VMINPKOJLSHDMD-UHFFFAOYSA-N 1 0 463.671 2.745 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296197085 1064372807 /nfs/dbraw/zinc/37/28/07/1064372807.db2.gz STNXFVFLHUTSCS-UHFFFAOYSA-N 1 0 492.043 2.857 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296197384 1064373349 /nfs/dbraw/zinc/37/33/49/1064373349.db2.gz XQHZYCPADLOCHM-RDGATRHJSA-N 1 0 462.683 2.829 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296201828 1064375869 /nfs/dbraw/zinc/37/58/69/1064375869.db2.gz BGMHWHMUWSGGET-JOCHJYFZSA-N 1 0 456.635 2.808 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296202152 1064377072 /nfs/dbraw/zinc/37/70/72/1064377072.db2.gz FKSPMWWZDUSUMJ-SZPZYZBQSA-N 1 0 470.662 2.909 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2ccccc2)CC1 ZINC001296202269 1064377862 /nfs/dbraw/zinc/37/78/62/1064377862.db2.gz CGXZKIFENQBWNA-QHCPKHFHSA-N 1 0 467.662 2.655 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C ZINC001291828489 1064379931 /nfs/dbraw/zinc/37/99/31/1064379931.db2.gz PJRSONWDONLVOW-FQEVSTJZSA-N 1 0 461.699 2.875 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC3CC3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001296202983 1064379983 /nfs/dbraw/zinc/37/99/83/1064379983.db2.gz JTSSDHIEUUURGW-LJQANCHMSA-N 1 0 471.616 2.721 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291828530 1064380554 /nfs/dbraw/zinc/38/05/54/1064380554.db2.gz PYUODTBGPFQIFI-SLFFLAALSA-N 1 0 491.681 2.884 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296203054 1064380631 /nfs/dbraw/zinc/38/06/31/1064380631.db2.gz KRDFKANSOSXCSC-HSZRJFAPSA-N 1 0 468.646 2.594 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296203758 1064382748 /nfs/dbraw/zinc/38/27/48/1064382748.db2.gz OZQZDWXYTJHGLT-ROUUACIJSA-N 1 0 494.482 2.687 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CCCC3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001296203781 1064383473 /nfs/dbraw/zinc/38/34/73/1064383473.db2.gz OCZPLQBRYJLAEK-UHFFFAOYSA-N 1 0 459.683 2.801 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cnn(C)c3)C2)CC1 ZINC001296203783 1064383587 /nfs/dbraw/zinc/38/35/87/1064383587.db2.gz ODPMPWIXPPAZFK-QFIPXVFZSA-N 1 0 472.682 2.596 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001296204380 1064386430 /nfs/dbraw/zinc/38/64/30/1064386430.db2.gz SWMWXWABUJWSTR-JOCHJYFZSA-N 1 0 459.683 2.691 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001291829441 1064386351 /nfs/dbraw/zinc/38/63/51/1064386351.db2.gz MQFIKLWWMLRGCB-LEWJYISDSA-N 1 0 471.650 2.868 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296204594 1064386505 /nfs/dbraw/zinc/38/65/05/1064386505.db2.gz TZGUEILFJVTNBV-QHCPKHFHSA-N 1 0 497.688 2.559 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296204929 1064387817 /nfs/dbraw/zinc/38/78/17/1064387817.db2.gz NOYJJPMQOXOIRS-FQEVSTJZSA-N 1 0 481.567 2.915 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001296206271 1064394070 /nfs/dbraw/zinc/39/40/70/1064394070.db2.gz LQPNCOXUUNOZNT-JOCHJYFZSA-N 1 0 474.053 2.731 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001296206296 1064394783 /nfs/dbraw/zinc/39/47/83/1064394783.db2.gz MMQVVTBIBPWIDR-LJQANCHMSA-N 1 0 481.016 2.617 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832253 1064395120 /nfs/dbraw/zinc/39/51/20/1064395120.db2.gz GAYPZHZJIUVPJA-FGZHOGPDSA-N 1 0 496.704 2.887 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832257 1064395927 /nfs/dbraw/zinc/39/59/27/1064395927.db2.gz GBOSHXOBGQSNRN-FGZHOGPDSA-N 1 0 497.688 2.722 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001291832670 1064397789 /nfs/dbraw/zinc/39/77/89/1064397789.db2.gz HTPDOHMRAUNCJI-NFBKMPQASA-N 1 0 467.662 2.630 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 ZINC001296209364 1064399152 /nfs/dbraw/zinc/39/91/52/1064399152.db2.gz HKPCRTRWQAPWDP-UHFFFAOYSA-N 1 0 453.948 2.594 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)c1 ZINC001296209371 1064399236 /nfs/dbraw/zinc/39/92/36/1064399236.db2.gz HOEXQSGJPAGFAS-QFBILLFUSA-N 1 0 468.620 2.549 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296211841 1064402755 /nfs/dbraw/zinc/40/27/55/1064402755.db2.gz QEALFUCEWBZBIC-DEOSSOPVSA-N 1 0 473.691 2.924 20 0 JFADRO CCn1nc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2CC[N@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC001296212971 1064405161 /nfs/dbraw/zinc/40/51/61/1064405161.db2.gz DCOPFVUGRJYOMR-GOSISDBHSA-N 1 0 494.644 2.640 20 0 JFADRO CCn1nc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296213196 1064407124 /nfs/dbraw/zinc/40/71/24/1064407124.db2.gz BALLNHMWWMZATQ-QZTJIDSGSA-N 1 0 453.591 2.630 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296213361 1064408603 /nfs/dbraw/zinc/40/86/03/1064408603.db2.gz IANAQAAAMRZBCL-FQEVSTJZSA-N 1 0 477.698 2.954 20 0 JFADRO CCn1nc(-c2nnc(N(C)CCC(=O)NC)n2CCC[N@@H+]2CCCC[C@H]2C)c2ccccc2c1=O ZINC001296213510 1064409428 /nfs/dbraw/zinc/40/94/28/1064409428.db2.gz FQFKENTXGUUREK-LJQANCHMSA-N 1 0 494.644 2.512 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CC[C@](O)(c4ccccc4F)C3)nnc2C(C)(C)C)CC1 ZINC001296213914 1064411471 /nfs/dbraw/zinc/41/14/71/1064411471.db2.gz LHOIIXJZXGQEED-RUZDIDTESA-N 1 0 458.626 2.840 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296214300 1064411838 /nfs/dbraw/zinc/41/18/38/1064411838.db2.gz NFBKJPDSMSQCBJ-QFIPXVFZSA-N 1 0 456.635 2.727 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001291835177 1064413316 /nfs/dbraw/zinc/41/33/16/1064413316.db2.gz FPJXBAPXZRDZAU-DHIUTWEWSA-N 1 0 489.709 2.678 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296214849 1064414483 /nfs/dbraw/zinc/41/44/83/1064414483.db2.gz PEINZEIRFWGXLN-NFBKMPQASA-N 1 0 474.625 2.885 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001291837219 1064420114 /nfs/dbraw/zinc/42/01/14/1064420114.db2.gz UOXLFOHIGJVBFK-NRFANRHFSA-N 1 0 496.704 2.807 20 0 JFADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291839864 1064435089 /nfs/dbraw/zinc/43/50/89/1064435089.db2.gz NTDZUXDZRHLELQ-GLSWWRQESA-N 1 0 468.646 2.770 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291839998 1064435729 /nfs/dbraw/zinc/43/57/29/1064435729.db2.gz OQLFCVHHCOBCGQ-YPAWHYETSA-N 1 0 489.709 2.677 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291839995 1064435762 /nfs/dbraw/zinc/43/57/62/1064435762.db2.gz OQLFCVHHCOBCGQ-BHDDXSALSA-N 1 0 489.709 2.677 20 0 JFADRO CCn1nc(-c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296221767 1064441857 /nfs/dbraw/zinc/44/18/57/1064441857.db2.gz IPLOVKJQPKOGTN-IBGZPJMESA-N 1 0 497.644 2.647 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001296225366 1064454036 /nfs/dbraw/zinc/45/40/36/1064454036.db2.gz MZTATVNTHFJANZ-NQIIRXRSSA-N 1 0 487.693 2.812 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001296226779 1064458058 /nfs/dbraw/zinc/45/80/58/1064458058.db2.gz ZYJJGUXUWOOHDS-QGZVFWFLSA-N 1 0 490.052 2.554 20 0 JFADRO CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001291851701 1064458187 /nfs/dbraw/zinc/45/81/87/1064458187.db2.gz UAPVMKOJHCAZNN-WIOPSUGQSA-N 1 0 482.673 2.971 20 0 JFADRO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296229902 1064464093 /nfs/dbraw/zinc/46/40/93/1064464093.db2.gz DCECILKAANSXGX-JKSUJKDBSA-N 1 0 457.687 2.868 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857591 1064465433 /nfs/dbraw/zinc/46/54/33/1064465433.db2.gz ODWMVAVFVCUSLT-TUACAJSNSA-N 1 0 482.673 2.970 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857592 1064465448 /nfs/dbraw/zinc/46/54/48/1064465448.db2.gz ODWMVAVFVCUSLT-ZTCOLXNVSA-N 1 0 482.673 2.970 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001296231999 1064467997 /nfs/dbraw/zinc/46/79/97/1064467997.db2.gz NMRFWMFBUOITSS-UHFFFAOYSA-N 1 0 470.618 2.799 20 0 JFADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291862179 1064471508 /nfs/dbraw/zinc/47/15/08/1064471508.db2.gz IPKRSGIMTJAVSU-PKTZIBPZSA-N 1 0 468.646 2.629 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001296241242 1064494848 /nfs/dbraw/zinc/49/48/48/1064494848.db2.gz FWJJRDZBIWNQLM-SFTDATJTSA-N 1 0 461.699 2.634 20 0 JFADRO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291880609 1064502104 /nfs/dbraw/zinc/50/21/04/1064502104.db2.gz HINQEFPWPHXQOE-XMMPIXPASA-N 1 0 481.689 2.905 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001296242639 1064502105 /nfs/dbraw/zinc/50/21/05/1064502105.db2.gz OPFQZURDOVRZKN-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001296248053 1064507707 /nfs/dbraw/zinc/50/77/07/1064507707.db2.gz FGEUQVYMJDFUQJ-FQEVSTJZSA-N 1 0 474.675 2.641 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291888350 1064511432 /nfs/dbraw/zinc/51/14/32/1064511432.db2.gz RRJYKTZJQKJGEZ-DNQXCXABSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291888352 1064511624 /nfs/dbraw/zinc/51/16/24/1064511624.db2.gz RRJYKTZJQKJGEZ-ZEQRLZLVSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291888794 1064512915 /nfs/dbraw/zinc/51/29/15/1064512915.db2.gz XFYRPGSPKUBJGL-NRFANRHFSA-N 1 0 462.664 2.678 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001291891246 1064516709 /nfs/dbraw/zinc/51/67/09/1064516709.db2.gz DTDVVUGUSPBOPW-DENIHFKCSA-N 1 0 494.644 2.827 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCC(=O)N(C)C)c1ccccc1 ZINC001291891080 1064516724 /nfs/dbraw/zinc/51/67/24/1064516724.db2.gz CVNWUZQEUCXKSA-NFBKMPQASA-N 1 0 468.646 2.988 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291897041 1064528420 /nfs/dbraw/zinc/52/84/20/1064528420.db2.gz AFDUEPJPWBULKH-XPWALMASSA-N 1 0 454.619 2.646 20 0 JFADRO CC[C@H](c1nnc(N2CCNC(=O)CC2)n1CCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291898678 1064529797 /nfs/dbraw/zinc/52/97/97/1064529797.db2.gz HRJCQAFWJFKCIL-QHCPKHFHSA-N 1 0 467.662 2.564 20 0 JFADRO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)n2)C[C@@H](C)O1 ZINC001291917562 1064540827 /nfs/dbraw/zinc/54/08/27/1064540827.db2.gz AUEUQYIJMDJOIT-BFYDXBDKSA-N 1 0 455.625 2.536 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCC([NH+](CC)CC)CC2)cc1 ZINC001296274437 1064543851 /nfs/dbraw/zinc/54/38/51/1064543851.db2.gz SYMIUMQROCBZJL-UHFFFAOYSA-N 1 0 462.602 2.844 20 0 JFADRO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001296280005 1064550144 /nfs/dbraw/zinc/55/01/44/1064550144.db2.gz KWLFNNUJTCGOTM-LJQANCHMSA-N 1 0 456.564 2.864 20 0 JFADRO CCn1c(SCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nnc1-c1ccco1 ZINC001296280022 1064550606 /nfs/dbraw/zinc/55/06/06/1064550606.db2.gz LKIUJWHSBWIUDI-LJQANCHMSA-N 1 0 455.584 2.923 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001296281019 1064551842 /nfs/dbraw/zinc/55/18/42/1064551842.db2.gz IFGJIZDDPDBSLY-UHFFFAOYSA-N 1 0 461.614 2.840 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296286266 1064557437 /nfs/dbraw/zinc/55/74/37/1064557437.db2.gz IZEISGGNNCJAJA-ISKFKSNPSA-N 1 0 481.689 2.960 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001296287638 1064559637 /nfs/dbraw/zinc/55/96/37/1064559637.db2.gz BSBJGCXBDYMTBM-QGZVFWFLSA-N 1 0 480.032 2.726 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001296288100 1064560710 /nfs/dbraw/zinc/56/07/10/1064560710.db2.gz HMKQSACYCQAZMT-JOCHJYFZSA-N 1 0 479.629 2.716 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC001291950509 1064561468 /nfs/dbraw/zinc/56/14/68/1064561468.db2.gz AEPVSIAGOLNPCA-JTJHWIPRSA-N 1 0 484.711 2.650 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001296288533 1064561710 /nfs/dbraw/zinc/56/17/10/1064561710.db2.gz KXHLYYWGXFIIHZ-OAQYLSRUSA-N 1 0 474.053 2.731 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001296288719 1064562139 /nfs/dbraw/zinc/56/21/39/1064562139.db2.gz HVTRHZMCLXZYDJ-UHFFFAOYSA-N 1 0 471.625 2.607 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCOC1)[NH+](C)C ZINC001291950942 1064562858 /nfs/dbraw/zinc/56/28/58/1064562858.db2.gz BFVGBOHEBLJFCD-FPOVZHCZSA-N 1 0 463.648 2.940 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)[NH+](C)C ZINC001291951392 1064563375 /nfs/dbraw/zinc/56/33/75/1064563375.db2.gz FKCKRNOWYAVLMZ-ZEQRLZLVSA-N 1 0 467.662 2.880 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)[NH+](C)C ZINC001291951390 1064563389 /nfs/dbraw/zinc/56/33/89/1064563389.db2.gz FKCKRNOWYAVLMZ-RPWUZVMVSA-N 1 0 467.662 2.880 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1)[NH+]1CCOCC1 ZINC001291952047 1064564920 /nfs/dbraw/zinc/56/49/20/1064564920.db2.gz HPTIJLBRJJJGOZ-HSZRJFAPSA-N 1 0 499.660 2.552 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001296289646 1064565196 /nfs/dbraw/zinc/56/51/96/1064565196.db2.gz VHECFYCNNOVOFP-NRFANRHFSA-N 1 0 488.080 2.977 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291952520 1064565227 /nfs/dbraw/zinc/56/52/27/1064565227.db2.gz LGCZRMASAIHQAO-IWFBPKFRSA-N 1 0 484.711 2.508 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001291952946 1064565728 /nfs/dbraw/zinc/56/57/28/1064565728.db2.gz OCWAFSMRDCLYDZ-MRXNPFEDSA-N 1 0 462.561 2.676 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)[NH+](C)C ZINC001291954058 1064567122 /nfs/dbraw/zinc/56/71/22/1064567122.db2.gz SBCXIMVJFFAYDL-NRFANRHFSA-N 1 0 485.681 2.516 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291954386 1064567595 /nfs/dbraw/zinc/56/75/95/1064567595.db2.gz UDFCKOAMXDATFL-GCJKJVERSA-N 1 0 488.608 2.630 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001296293595 1064569167 /nfs/dbraw/zinc/56/91/67/1064569167.db2.gz AMQQPDDVGHJTRY-UHFFFAOYSA-N 1 0 481.689 2.700 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+](C)C ZINC001291955236 1064569250 /nfs/dbraw/zinc/56/92/50/1064569250.db2.gz UHNWIOJEQNPOCT-LJQANCHMSA-N 1 0 498.097 2.878 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001296293915 1064570044 /nfs/dbraw/zinc/57/00/44/1064570044.db2.gz FQTJVEZAMWJZRB-QFIPXVFZSA-N 1 0 488.080 2.655 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955683 1064570526 /nfs/dbraw/zinc/57/05/26/1064570526.db2.gz ZSNKDISJYVDZJS-RBBKRZOGSA-N 1 0 461.699 2.901 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001291956086 1064571321 /nfs/dbraw/zinc/57/13/21/1064571321.db2.gz YDWJSYBIVBGYSW-UGKGYDQZSA-N 1 0 486.617 2.970 20 0 JFADRO CCC[NH+]1CCC(N(C)C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001291959652 1064573119 /nfs/dbraw/zinc/57/31/19/1064573119.db2.gz XHIVMNXUJSXYRF-UHFFFAOYSA-N 1 0 455.930 2.970 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001291961107 1064573353 /nfs/dbraw/zinc/57/33/53/1064573353.db2.gz BSGQMRYBDLJYQW-SQJMNOBHSA-N 1 0 472.609 2.923 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001291962001 1064575592 /nfs/dbraw/zinc/57/55/92/1064575592.db2.gz FFGCDOOCJWQCQD-QFIPXVFZSA-N 1 0 491.644 2.527 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001291964749 1064578002 /nfs/dbraw/zinc/57/80/02/1064578002.db2.gz VRJOEGFCPRLQLZ-FYYLOGMGSA-N 1 0 469.634 2.582 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001291965778 1064578909 /nfs/dbraw/zinc/57/89/09/1064578909.db2.gz IMKZKXYJAGMSSE-SXLOBPIMSA-N 1 0 472.638 2.746 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001291965850 1064578982 /nfs/dbraw/zinc/57/89/82/1064578982.db2.gz JBFLGUPTQRULQH-NHCUHLMSSA-N 1 0 491.681 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291966281 1064579652 /nfs/dbraw/zinc/57/96/52/1064579652.db2.gz JZWGWBHZIZVIBE-PMACEKPBSA-N 1 0 476.666 2.760 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291966283 1064579716 /nfs/dbraw/zinc/57/97/16/1064579716.db2.gz JZWGWBHZIZVIBE-VQTJNVASSA-N 1 0 476.666 2.760 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001291966777 1064580926 /nfs/dbraw/zinc/58/09/26/1064580926.db2.gz YTKHTJQJBNFHCD-LEOXJPRUSA-N 1 0 456.635 2.993 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC[NH+]2CCCCC2)CC1 ZINC001296301901 1064580920 /nfs/dbraw/zinc/58/09/20/1064580920.db2.gz JWRHBHLNNUZSOF-UHFFFAOYSA-N 1 0 496.660 2.875 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001291966885 1064581145 /nfs/dbraw/zinc/58/11/45/1064581145.db2.gz FMRRFEWKDBUUCQ-JBACZVJFSA-N 1 0 498.738 2.850 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001291967062 1064581449 /nfs/dbraw/zinc/58/14/49/1064581449.db2.gz FSASZLKDTACSDB-GGAORHGYSA-N 1 0 486.636 2.847 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001291967061 1064581587 /nfs/dbraw/zinc/58/15/87/1064581587.db2.gz FSASZLKDTACSDB-FYYLOGMGSA-N 1 0 486.636 2.847 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001291967064 1064581917 /nfs/dbraw/zinc/58/19/17/1064581917.db2.gz FSASZLKDTACSDB-JTHBVZDNSA-N 1 0 486.636 2.847 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291967126 1064581992 /nfs/dbraw/zinc/58/19/92/1064581992.db2.gz GUSLJOHNIFEXTR-OALUTQOASA-N 1 0 489.583 2.813 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001296302659 1064582999 /nfs/dbraw/zinc/58/29/99/1064582999.db2.gz QIHLLDKBPDDAES-NJYVYQBISA-N 1 0 493.697 2.610 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1)[NH+](C)C ZINC001291968030 1064583633 /nfs/dbraw/zinc/58/36/33/1064583633.db2.gz SULTTYSPTJXMOA-FCHUYYIVSA-N 1 0 470.666 2.964 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001291967966 1064583667 /nfs/dbraw/zinc/58/36/67/1064583667.db2.gz SEEDAHQPSPAJCT-BHIFYINESA-N 1 0 496.722 2.890 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001296303194 1064583655 /nfs/dbraw/zinc/58/36/55/1064583655.db2.gz UWRZMRLRUIAEMO-IBGZPJMESA-N 1 0 490.450 2.899 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001291968235 1064584135 /nfs/dbraw/zinc/58/41/35/1064584135.db2.gz OZCPULMHNJZDLA-URXFXBBRSA-N 1 0 482.673 2.981 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001296306195 1064584590 /nfs/dbraw/zinc/58/45/90/1064584590.db2.gz HCKWOFCDTTZEMY-KRWDZBQOSA-N 1 0 477.560 2.882 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001291969519 1064585164 /nfs/dbraw/zinc/58/51/64/1064585164.db2.gz WLUAZPCNISQRDR-JLMWRMLUSA-N 1 0 470.618 2.824 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291969690 1064585518 /nfs/dbraw/zinc/58/55/18/1064585518.db2.gz XSRDYIHBFCMJJI-NZQKXSOJSA-N 1 0 498.672 2.681 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1)[NH+](C)C ZINC001291970143 1064586421 /nfs/dbraw/zinc/58/64/21/1064586421.db2.gz ZWEYDCMUZVBABI-GBESFXJTSA-N 1 0 496.703 2.581 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC001296308292 1064589315 /nfs/dbraw/zinc/58/93/15/1064589315.db2.gz WNIWWHDOECRSFG-OAQYLSRUSA-N 1 0 499.660 2.934 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291975072 1064589599 /nfs/dbraw/zinc/58/95/99/1064589599.db2.gz QHBSJSHGIVSHMC-SFTDATJTSA-N 1 0 487.674 2.506 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+](C)C ZINC001291974686 1064589818 /nfs/dbraw/zinc/58/98/18/1064589818.db2.gz NNXOPXMGSQZTQY-XZOQPEGZSA-N 1 0 481.645 2.668 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001291975538 1064590549 /nfs/dbraw/zinc/59/05/49/1064590549.db2.gz VEKPWILCGRBQFI-SFTDATJTSA-N 1 0 461.680 2.521 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001291975572 1064590665 /nfs/dbraw/zinc/59/06/65/1064590665.db2.gz VTYIRVDNYXPXME-LJQANCHMSA-N 1 0 487.615 2.841 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1)[NH+](C)C ZINC001291975767 1064591367 /nfs/dbraw/zinc/59/13/67/1064591367.db2.gz YRIJVXGMKYMKDW-IGKWTDBASA-N 1 0 473.710 2.586 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975807 1064591775 /nfs/dbraw/zinc/59/17/75/1064591775.db2.gz ZQSMPEHYMKYYOY-FYYLOGMGSA-N 1 0 484.645 2.790 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1 ZINC001296312201 1064591854 /nfs/dbraw/zinc/59/18/54/1064591854.db2.gz UZWLQVSCAWOAGY-HXUWFJFHSA-N 1 0 466.590 2.868 20 0 JFADRO 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CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CC[N@H+](C)Cc1ccccc1 ZINC001292013008 1064638028 /nfs/dbraw/zinc/63/80/28/1064638028.db2.gz GXICUFBIBFIBDE-VXKWHMMOSA-N 1 0 481.645 2.576 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001292013126 1064638927 /nfs/dbraw/zinc/63/89/27/1064638927.db2.gz HZFSBXMPHNAKRD-TYPHKJRUSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C3CCC2(C)CC3)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292014076 1064642905 /nfs/dbraw/zinc/64/29/05/1064642905.db2.gz OIYXOFWRIMWBKK-UHFFFAOYSA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC=C(C)C ZINC001292017649 1064651535 /nfs/dbraw/zinc/65/15/35/1064651535.db2.gz LMWDARKOCDEQHH-NZQKXSOJSA-N 1 0 487.693 2.932 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292022817 1064665766 /nfs/dbraw/zinc/66/57/66/1064665766.db2.gz MBATYWSNGJFRRT-FHWLQOOXSA-N 1 0 465.712 2.553 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001292025706 1064677633 /nfs/dbraw/zinc/67/76/33/1064677633.db2.gz XOZDXZJDTKQAIC-MHECFPHRSA-N 1 0 464.655 2.559 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025920 1064678254 /nfs/dbraw/zinc/67/82/54/1064678254.db2.gz XCHZBYUSIMDTRJ-QZTJIDSGSA-N 1 0 491.681 2.982 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001292030098 1064687041 /nfs/dbraw/zinc/68/70/41/1064687041.db2.gz LTKCRQLVYVCIPL-PZJWPPBQSA-N 1 0 473.666 2.662 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001292036119 1064699204 /nfs/dbraw/zinc/69/92/04/1064699204.db2.gz PRGURSKAIAPZEL-SFHVURJKSA-N 1 0 474.572 2.822 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292036306 1064700361 /nfs/dbraw/zinc/70/03/61/1064700361.db2.gz MZMGYRFGWNIAIX-KDURUIRLSA-N 1 0 489.709 2.915 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001292037035 1064702090 /nfs/dbraw/zinc/70/20/90/1064702090.db2.gz ULNPBPUNWYIWRD-JOCHJYFZSA-N 1 0 483.661 2.770 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001292041106 1064706105 /nfs/dbraw/zinc/70/61/05/1064706105.db2.gz JPANPYQEIDBLFL-WXVAWEFUSA-N 1 0 495.672 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](OC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292043270 1064709274 /nfs/dbraw/zinc/70/92/74/1064709274.db2.gz FRWNNUWHKWPTBX-NQIIRXRSSA-N 1 0 478.682 2.947 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001292048256 1064713323 /nfs/dbraw/zinc/71/33/23/1064713323.db2.gz GUFLYHCYNIAUCK-QGZVFWFLSA-N 1 0 456.639 2.797 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001292048986 1064714281 /nfs/dbraw/zinc/71/42/81/1064714281.db2.gz IZVJZHGKPHGIEN-SFHVURJKSA-N 1 0 458.607 2.894 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292053687 1064718727 /nfs/dbraw/zinc/71/87/27/1064718727.db2.gz RDVXPIMNTAJXNQ-JOCHJYFZSA-N 1 0 487.693 2.910 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292053708 1064719002 /nfs/dbraw/zinc/71/90/02/1064719002.db2.gz RPAXODRWZKQQKY-PKTZIBPZSA-N 1 0 490.693 2.949 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292054859 1064721945 /nfs/dbraw/zinc/72/19/45/1064721945.db2.gz LDMGUPPFGFZJQY-UXHICEINSA-N 1 0 485.681 2.825 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1ccsc1 ZINC001292055362 1064723884 /nfs/dbraw/zinc/72/38/84/1064723884.db2.gz RCWYKQLTCXVKNA-UHFFFAOYSA-N 1 0 460.648 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001292061305 1064730489 /nfs/dbraw/zinc/73/04/89/1064730489.db2.gz JOSZLUXRKFWLNH-WMZOPIPTSA-N 1 0 465.643 2.592 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1Cc1cccc(F)c1 ZINC001292063014 1064735582 /nfs/dbraw/zinc/73/55/82/1064735582.db2.gz KVGZKWLPWOVZPK-JOCHJYFZSA-N 1 0 471.625 2.600 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ccc(F)cc1 ZINC001292063467 1064737039 /nfs/dbraw/zinc/73/70/39/1064737039.db2.gz UJIHGATZIKWSJX-QHCPKHFHSA-N 1 0 485.652 2.989 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001292078415 1064760868 /nfs/dbraw/zinc/76/08/68/1064760868.db2.gz GNFYYOSMRFARTJ-UHFFFAOYSA-N 1 0 496.498 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001292088173 1064772037 /nfs/dbraw/zinc/77/20/37/1064772037.db2.gz DBSRPRRBMPYPJX-YADHBBJMSA-N 1 0 475.682 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292089477 1064773533 /nfs/dbraw/zinc/77/35/33/1064773533.db2.gz KPQFDCAIOGSXEU-NHCUHLMSSA-N 1 0 471.654 2.587 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001292091440 1064778642 /nfs/dbraw/zinc/77/86/42/1064778642.db2.gz VKGFJGLQXHGAMW-PZJWPPBQSA-N 1 0 471.654 2.750 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1nncn1CC ZINC001292092302 1064779763 /nfs/dbraw/zinc/77/97/63/1064779763.db2.gz AQNWYBCCTPVZDO-HXUWFJFHSA-N 1 0 485.681 2.805 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001292092076 1064779842 /nfs/dbraw/zinc/77/98/42/1064779842.db2.gz LZCJUUTUAMCQTK-XMMPIXPASA-N 1 0 498.672 2.817 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292094234 1064783688 /nfs/dbraw/zinc/78/36/88/1064783688.db2.gz IXDKYHJOAGIRSE-MSOLQXFVSA-N 1 0 458.611 2.614 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCNC(=O)c1ccc(C)cc1 ZINC001292104277 1064796615 /nfs/dbraw/zinc/79/66/15/1064796615.db2.gz CRWIMZLWGOEXDR-UHFFFAOYSA-N 1 0 483.661 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001292105457 1064798604 /nfs/dbraw/zinc/79/86/04/1064798604.db2.gz KUZWBEJQRBWQEQ-UHFFFAOYSA-N 1 0 472.663 2.632 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292109167 1064807015 /nfs/dbraw/zinc/80/70/15/1064807015.db2.gz FKXFNVYLPGPLDV-HLAWJBBLSA-N 1 0 473.666 2.518 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001292111393 1064819300 /nfs/dbraw/zinc/81/93/00/1064819300.db2.gz WBLQRJKKFSYMIB-UHFFFAOYSA-N 1 0 475.682 2.623 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@]1(O)CCc2ccccc21 ZINC001292113251 1064821027 /nfs/dbraw/zinc/82/10/27/1064821027.db2.gz BODDUTBVOWKQCB-SANMLTNESA-N 1 0 468.646 2.951 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001292113484 1064823388 /nfs/dbraw/zinc/82/33/88/1064823388.db2.gz KBHKAEMUYYPQQQ-NRFANRHFSA-N 1 0 485.633 2.696 20 0 JFADRO CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)c2C(F)F)CC1 ZINC001292121785 1064852970 /nfs/dbraw/zinc/85/29/70/1064852970.db2.gz JWDQXIYTUCGIJG-CYBMUJFWSA-N 1 0 454.522 2.754 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCC[N@H+](C)C(C)C ZINC001292122476 1064857822 /nfs/dbraw/zinc/85/78/22/1064857822.db2.gz SGZBQQPDEQNQJM-UHFFFAOYSA-N 1 0 492.738 2.930 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292122802 1064859309 /nfs/dbraw/zinc/85/93/09/1064859309.db2.gz XPUSDKLHXMEJQV-OALUTQOASA-N 1 0 487.693 2.764 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292126440 1064875577 /nfs/dbraw/zinc/87/55/77/1064875577.db2.gz QCOAOOMBMWGBKZ-LJQANCHMSA-N 1 0 473.666 2.520 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1Cc1cnn(C)c1C ZINC001292127129 1064880390 /nfs/dbraw/zinc/88/03/90/1064880390.db2.gz XBYGKHCTSACTDL-UHFFFAOYSA-N 1 0 470.666 2.989 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)SC ZINC001292127142 1064880911 /nfs/dbraw/zinc/88/09/11/1064880911.db2.gz XULVLHVXDHTEGY-IAGOWNOFSA-N 1 0 452.669 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001292132355 1064885221 /nfs/dbraw/zinc/88/52/21/1064885221.db2.gz FROFMLRGCTUBBJ-GHTZIAJQSA-N 1 0 496.660 2.540 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001292133384 1064887533 /nfs/dbraw/zinc/88/75/33/1064887533.db2.gz JDOFQZMPEQUYCS-VWLOTQADSA-N 1 0 489.665 2.882 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292143121 1064910718 /nfs/dbraw/zinc/91/07/18/1064910718.db2.gz AOJWQERPDIRPCO-RTBURBONSA-N 1 0 488.637 2.586 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292143446 1064912091 /nfs/dbraw/zinc/91/20/91/1064912091.db2.gz FHHFQNDDJHYLNQ-MOPGFXCFSA-N 1 0 488.637 2.765 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292143448 1064912162 /nfs/dbraw/zinc/91/21/62/1064912162.db2.gz FHHFQNDDJHYLNQ-RBUKOAKNSA-N 1 0 488.637 2.765 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001292145428 1064919566 /nfs/dbraw/zinc/91/95/66/1064919566.db2.gz GYYJDIQATNEUAQ-FQEVSTJZSA-N 1 0 464.680 2.562 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C(C)C ZINC001292153156 1064932068 /nfs/dbraw/zinc/93/20/68/1064932068.db2.gz CNSURWQZVKZNSY-SFHVURJKSA-N 1 0 465.643 2.640 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001292154164 1064933256 /nfs/dbraw/zinc/93/32/56/1064933256.db2.gz SXMSSQVAFATQLG-LSTHTHJFSA-N 1 0 487.674 2.523 20 0 JFADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)C)[NH+]1CCCC1 ZINC001292162260 1064947116 /nfs/dbraw/zinc/94/71/16/1064947116.db2.gz JUYLXIGWBAZTAT-OAQYLSRUSA-N 1 0 469.634 2.982 20 0 JFADRO CC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001292163863 1064950313 /nfs/dbraw/zinc/95/03/13/1064950313.db2.gz RAXRKXIDAYLANB-LJQANCHMSA-N 1 0 498.632 2.761 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC001292172397 1064959694 /nfs/dbraw/zinc/95/96/94/1064959694.db2.gz KDIZLLBDCBBCKK-CZTZKLFOSA-N 1 0 492.665 2.971 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+]1CCCC1 ZINC001292173313 1064961235 /nfs/dbraw/zinc/96/12/35/1064961235.db2.gz MTKUZHSCKWBIRG-FXAWDEMLSA-N 1 0 478.638 2.773 20 0 JFADRO CC[C@H](Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001292173845 1064963141 /nfs/dbraw/zinc/96/31/41/1064963141.db2.gz SZDZBHCVMWZQJY-WDJPJFJCSA-N 1 0 468.646 2.791 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC001292176094 1064965861 /nfs/dbraw/zinc/96/58/61/1064965861.db2.gz KKTPVUPAPXRQLX-XMMPIXPASA-N 1 0 452.640 2.719 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001292180990 1064970924 /nfs/dbraw/zinc/97/09/24/1064970924.db2.gz RHEDDPDLRKPNGJ-HOCLYGCPSA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001292186101 1064977472 /nfs/dbraw/zinc/97/74/72/1064977472.db2.gz PKESYIDRXWMRHL-UXHICEINSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001292187517 1064979684 /nfs/dbraw/zinc/97/96/84/1064979684.db2.gz VSENJEZUDVARBG-IBGZPJMESA-N 1 0 491.036 2.777 20 0 JFADRO Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)cc12 ZINC001292191417 1064982890 /nfs/dbraw/zinc/98/28/90/1064982890.db2.gz KJSYDJFBVSLFGE-AWEZNQCLSA-N 1 0 456.572 2.590 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218838 1065005639 /nfs/dbraw/zinc/00/56/39/1065005639.db2.gz JNFWYDZNTJWHAN-PWRODBHTSA-N 1 0 492.665 2.982 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001292221888 1065008145 /nfs/dbraw/zinc/00/81/45/1065008145.db2.gz BYRDNISHMXOHRJ-SFTDATJTSA-N 1 0 492.665 2.670 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+]1CCCC1 ZINC001292222611 1065009241 /nfs/dbraw/zinc/00/92/41/1065009241.db2.gz FBBFSLNCTUXGQP-CTNGQTDRSA-N 1 0 476.647 2.562 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225105 1065011820 /nfs/dbraw/zinc/01/18/20/1065011820.db2.gz LTPDLTFXYDPMBB-PWRODBHTSA-N 1 0 492.665 2.634 20 0 JFADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCC1 ZINC001292226778 1065014288 /nfs/dbraw/zinc/01/42/88/1065014288.db2.gz XHOOUHXYBWGWDR-NJDAHSKKSA-N 1 0 492.665 2.934 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCC1 ZINC001292226779 1065014337 /nfs/dbraw/zinc/01/43/37/1065014337.db2.gz XHOOUHXYBWGWDR-NJYVYQBISA-N 1 0 492.665 2.934 20 0 JFADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001292231335 1065017977 /nfs/dbraw/zinc/01/79/77/1065017977.db2.gz UFBRWLUHEIBPAN-QHCPKHFHSA-N 1 0 482.673 2.999 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292231833 1065018449 /nfs/dbraw/zinc/01/84/49/1065018449.db2.gz VNAWXTZUNXRZFZ-JOCHJYFZSA-N 1 0 488.702 2.912 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292231834 1065018775 /nfs/dbraw/zinc/01/87/75/1065018775.db2.gz VNAWXTZUNXRZFZ-QFIPXVFZSA-N 1 0 488.702 2.912 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001292235736 1065020301 /nfs/dbraw/zinc/02/03/01/1065020301.db2.gz JQVZVNXAWYYTPU-UNMCSNQZSA-N 1 0 453.635 2.831 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1)[NH+]1CCCC1 ZINC001292236715 1065021032 /nfs/dbraw/zinc/02/10/32/1065021032.db2.gz PNFKUQGPSUPTQS-QFIPXVFZSA-N 1 0 454.619 2.811 20 0 JFADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292243247 1065025878 /nfs/dbraw/zinc/02/58/78/1065025878.db2.gz JSLWNOFYNJCGGP-CTNGQTDRSA-N 1 0 459.664 2.861 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001292252515 1065034907 /nfs/dbraw/zinc/03/49/07/1065034907.db2.gz RWFAYLUYWVUNDM-JOCHJYFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC[C@@H](Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292254283 1065036867 /nfs/dbraw/zinc/03/68/67/1065036867.db2.gz AUKKBIRBLJDRTF-XUZZJYLKSA-N 1 0 459.639 2.871 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCCC1 ZINC001292255875 1065038881 /nfs/dbraw/zinc/03/88/81/1065038881.db2.gz RIQYQULSTCXXLV-UYAOXDASSA-N 1 0 458.582 2.962 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292285639 1065059493 /nfs/dbraw/zinc/05/94/93/1065059493.db2.gz JJAMZXYAZFJKFC-RUZDIDTESA-N 1 0 498.716 2.960 20 0 JFADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001292331394 1065087871 /nfs/dbraw/zinc/08/78/71/1065087871.db2.gz XVDDPBLLLCKKSZ-RBBKRZOGSA-N 1 0 457.571 2.518 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001292333169 1065089206 /nfs/dbraw/zinc/08/92/06/1065089206.db2.gz VDVXPXVRRBJOFM-DCLXLUIPSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001292352060 1065096528 /nfs/dbraw/zinc/09/65/28/1065096528.db2.gz VTJJRRBPSVZVRV-JOCHJYFZSA-N 1 0 453.587 2.791 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292352901 1065097299 /nfs/dbraw/zinc/09/72/99/1065097299.db2.gz HCYILSWYDNMRTC-YADARESESA-N 1 0 490.052 2.942 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292355690 1065099759 /nfs/dbraw/zinc/09/97/59/1065099759.db2.gz KTUXFWKAYSJCKB-ATIYNZHBSA-N 1 0 484.645 2.902 20 0 JFADRO O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC001292368728 1065110906 /nfs/dbraw/zinc/11/09/06/1065110906.db2.gz PTWVMLHHFJCXKS-JOCHJYFZSA-N 1 0 459.949 2.962 20 0 JFADRO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001292378085 1065120889 /nfs/dbraw/zinc/12/08/89/1065120889.db2.gz UYWNYDSAHDVXPJ-MJGOQNOKSA-N 1 0 452.669 2.922 20 0 JFADRO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC001292408673 1065142657 /nfs/dbraw/zinc/14/26/57/1065142657.db2.gz VBPPAZAARWEQDL-NHCUHLMSSA-N 1 0 459.683 2.991 20 0 JFADRO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413977 1065147858 /nfs/dbraw/zinc/14/78/58/1065147858.db2.gz PNRGOSQXHNTZEJ-JAXLGGSGSA-N 1 0 476.666 2.571 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)[NH+](C)C)cc1 ZINC001292455927 1065176651 /nfs/dbraw/zinc/17/66/51/1065176651.db2.gz AWHGEEDREZNOLE-MNAPGUCWSA-N 1 0 454.619 2.956 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)OC)CC2)[NH+](C)C)cc1 ZINC001292457694 1065179577 /nfs/dbraw/zinc/17/95/77/1065179577.db2.gz LCPWYGWVWUVADS-JOCHJYFZSA-N 1 0 482.629 2.769 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459715 1065185408 /nfs/dbraw/zinc/18/54/08/1065185408.db2.gz FUFFBCYDXXQRIM-HJOGWXRNSA-N 1 0 484.645 2.726 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)[NH+](C)C)cc1 ZINC001292460184 1065187157 /nfs/dbraw/zinc/18/71/57/1065187157.db2.gz HIDGOXAOVVCFRX-GOTSBHOMSA-N 1 0 484.645 2.856 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3ccccn3)nnc2N(C)CCN2CCOCC2)[NH+](C)C)cc1 ZINC001292460484 1065187783 /nfs/dbraw/zinc/18/77/83/1065187783.db2.gz YDIIZZFUNIYEIL-DEOSSOPVSA-N 1 0 463.630 2.974 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC001292460429 1065187818 /nfs/dbraw/zinc/18/78/18/1065187818.db2.gz XDSSFYIVFJRJSF-GGAORHGYSA-N 1 0 495.672 2.777 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001292460528 1065188423 /nfs/dbraw/zinc/18/84/23/1065188423.db2.gz IEZNKLOLHQJHCP-DHIUTWEWSA-N 1 0 468.646 2.952 20 0 JFADRO CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC001292461527 1065190310 /nfs/dbraw/zinc/19/03/10/1065190310.db2.gz OOLDGPMBFLVCIW-GOTSBHOMSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC001292461526 1065190339 /nfs/dbraw/zinc/19/03/39/1065190339.db2.gz OOLDGPMBFLVCIW-DHIUTWEWSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)[NH+](C)C)cc1 ZINC001292462390 1065191560 /nfs/dbraw/zinc/19/15/60/1065191560.db2.gz RXSVMNUYORSNRY-PKTZIBPZSA-N 1 0 468.646 3.000 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463564 1065192894 /nfs/dbraw/zinc/19/28/94/1065192894.db2.gz XJZGXIHGVLFSRH-URXFXBBRSA-N 1 0 481.689 2.839 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001292470766 1065197205 /nfs/dbraw/zinc/19/72/05/1065197205.db2.gz OCPIVVGCESQPBI-HSZRJFAPSA-N 1 0 453.530 2.692 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479773 1065204118 /nfs/dbraw/zinc/20/41/18/1065204118.db2.gz UOWAIVUEKAEJDE-AUSIDOKSSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479776 1065204256 /nfs/dbraw/zinc/20/42/56/1065204256.db2.gz UOWAIVUEKAEJDE-XXBNENTESA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484735 1065206464 /nfs/dbraw/zinc/20/64/64/1065206464.db2.gz GLCOERADXDGBHO-CNNODRBYSA-N 1 0 474.675 2.850 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484738 1065206512 /nfs/dbraw/zinc/20/65/12/1065206512.db2.gz GLCOERADXDGBHO-XQBPLPMBSA-N 1 0 474.675 2.850 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001292496717 1065215378 /nfs/dbraw/zinc/21/53/78/1065215378.db2.gz AOLVUQQIOGXYHV-LJQANCHMSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292497263 1065216476 /nfs/dbraw/zinc/21/64/76/1065216476.db2.gz DNSKLASUSRQTEF-DNQXCXABSA-N 1 0 470.662 2.774 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CNC(C)=O)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001292500271 1065220600 /nfs/dbraw/zinc/22/06/00/1065220600.db2.gz RXYIOTKGEDUJJP-UHFFFAOYSA-N 1 0 456.660 2.909 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001292512966 1065231572 /nfs/dbraw/zinc/23/15/72/1065231572.db2.gz YSYKFDZLDJOIOG-VXKWHMMOSA-N 1 0 454.619 2.566 20 0 JFADRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521209 1065247299 /nfs/dbraw/zinc/24/72/99/1065247299.db2.gz DGUAEBSYJNCUNR-WMQCIHAUSA-N 1 0 458.603 2.829 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001292526021 1065252056 /nfs/dbraw/zinc/25/20/56/1065252056.db2.gz VFFIUCJKABZLEC-PKTZIBPZSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](COC)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292529772 1065255557 /nfs/dbraw/zinc/25/55/57/1065255557.db2.gz WSUUZBVPYRNVIB-QFIPXVFZSA-N 1 0 457.619 2.594 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001292534965 1065258095 /nfs/dbraw/zinc/25/80/95/1065258095.db2.gz RCWSVDJFDBKVMY-ZLNRFVROSA-N 1 0 457.619 2.714 20 0 JFADRO CC[NH+]1CCN(CCC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC001292555103 1065272132 /nfs/dbraw/zinc/27/21/32/1065272132.db2.gz RQIFKKTWSVJBRZ-UHFFFAOYSA-N 1 0 451.409 2.654 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[N@H+]1CC ZINC001292570735 1065282401 /nfs/dbraw/zinc/28/24/01/1065282401.db2.gz RIKQCYZGBSVJJI-HXUWFJFHSA-N 1 0 467.618 2.636 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292570650 1065282436 /nfs/dbraw/zinc/28/24/36/1065282436.db2.gz ODFDTZDNWSOXLU-VWLOTQADSA-N 1 0 499.685 2.589 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001292578796 1065291669 /nfs/dbraw/zinc/29/16/69/1065291669.db2.gz PELYPMWPACBKKG-NRFANRHFSA-N 1 0 481.645 2.989 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001292579392 1065294310 /nfs/dbraw/zinc/29/43/10/1065294310.db2.gz UQQIPUPEUXECFV-RBBKRZOGSA-N 1 0 484.645 2.920 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)CC(=O)N2CCOCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001292580333 1065296846 /nfs/dbraw/zinc/29/68/46/1065296846.db2.gz GOBYRZPDTRZKIH-UHFFFAOYSA-N 1 0 498.672 2.979 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292580772 1065297411 /nfs/dbraw/zinc/29/74/11/1065297411.db2.gz QIJIAHZFVQWYCD-VQTJNVASSA-N 1 0 461.632 2.527 20 0 JFADRO Cc1cnn(-c2cc(C(=O)Nc3ccc(C[N@@H+]4CCC[C@@H](C(N)=O)C4)cc3)c(N)cc2F)c1 ZINC001292589869 1065306407 /nfs/dbraw/zinc/30/64/07/1065306407.db2.gz HKFGAFXUEJQXOF-QGZVFWFLSA-N 1 0 450.518 2.852 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590801 1065308433 /nfs/dbraw/zinc/30/84/33/1065308433.db2.gz VXMGZXDVRATRON-QUCCMNQESA-N 1 0 454.619 2.865 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](C)[NH+](C)C ZINC001292593953 1065314700 /nfs/dbraw/zinc/31/47/00/1065314700.db2.gz PWJVLTDMKYUWTD-AEFFLSMTSA-N 1 0 482.551 2.874 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[NH+]1CCCCCC1 ZINC001292595892 1065316510 /nfs/dbraw/zinc/31/65/10/1065316510.db2.gz CXIYPDDRFRQECM-RUZDIDTESA-N 1 0 454.619 2.997 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292604433 1065328894 /nfs/dbraw/zinc/32/88/94/1065328894.db2.gz UUKIPRHTACOOGM-VQTJNVASSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292610828 1065339565 /nfs/dbraw/zinc/33/95/65/1065339565.db2.gz VLLPKYUCOSKWQV-BGYRXZFFSA-N 1 0 484.645 2.586 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292615623 1065349137 /nfs/dbraw/zinc/34/91/37/1065349137.db2.gz UWXZKYQTOQKVCD-LJQANCHMSA-N 1 0 452.559 2.642 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292616322 1065350703 /nfs/dbraw/zinc/35/07/03/1065350703.db2.gz TTWODGWIWVDDLE-QUCCMNQESA-N 1 0 466.586 2.982 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(N)=O)c1ccccc1 ZINC001292635087 1065372907 /nfs/dbraw/zinc/37/29/07/1065372907.db2.gz HEZOBBMVFFZDCZ-NRFANRHFSA-N 1 0 454.571 2.920 20 0 JFADRO C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC001292645541 1065380810 /nfs/dbraw/zinc/38/08/10/1065380810.db2.gz OXAVCEPKAGQSSV-HXUWFJFHSA-N 1 0 455.559 2.795 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC001292660460 1065396510 /nfs/dbraw/zinc/39/65/10/1065396510.db2.gz LUWHUWHICIXQNB-CALCHBBNSA-N 1 0 455.384 2.851 20 0 JFADRO CCc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCC(O)CC3)C2)n1 ZINC001292665908 1065402041 /nfs/dbraw/zinc/40/20/41/1065402041.db2.gz NUPYFNOKQGJFHH-GOSISDBHSA-N 1 0 489.690 2.666 20 0 JFADRO CCN1CCC([NH+]2CCC(C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)CC2)CC1 ZINC001292669608 1065409401 /nfs/dbraw/zinc/40/94/01/1065409401.db2.gz XBRZOGYDWMXIHN-UHFFFAOYSA-N 1 0 458.672 2.939 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+](C)C)s1 ZINC001292675604 1065416191 /nfs/dbraw/zinc/41/61/91/1065416191.db2.gz YACCCYLASMLAFR-VNQPRFMTSA-N 1 0 454.666 2.655 20 0 JFADRO CCc1nc(C)c(Cn2c(CC)nnc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC001292688076 1065432508 /nfs/dbraw/zinc/43/25/08/1065432508.db2.gz LGYOWNYUDRCAIZ-UHFFFAOYSA-N 1 0 457.623 2.566 20 0 JFADRO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)no1 ZINC001292696569 1065447173 /nfs/dbraw/zinc/44/71/73/1065447173.db2.gz SJDSZNUDMOPBTL-RBUKOAKNSA-N 1 0 472.638 2.695 20 0 JFADRO COCCn1c(=O)[nH]c(=O)c(NCc2ccccc2)c1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001292697863 1065448847 /nfs/dbraw/zinc/44/88/47/1065448847.db2.gz GNEVUJKUYPPPPP-UHFFFAOYSA-N 1 0 457.575 2.658 20 0 JFADRO C[N@H+](CCOc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCC[C@@H]3O)c1)C1CCOCC1 ZINC001292706704 1065461683 /nfs/dbraw/zinc/46/16/83/1065461683.db2.gz RUFNPHIPUCBJCO-QHCPKHFHSA-N 1 0 455.555 2.577 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC[NH+](CC)CC2)cs1 ZINC001292729952 1065493229 /nfs/dbraw/zinc/49/32/29/1065493229.db2.gz ZAVDNWXSGHPQIG-SFHVURJKSA-N 1 0 480.704 2.958 20 0 JFADRO CCc1nc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)cs1 ZINC001292735081 1065496696 /nfs/dbraw/zinc/49/66/96/1065496696.db2.gz YMPVASWWCMLKRF-HSZRJFAPSA-N 1 0 456.616 2.887 20 0 JFADRO CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001292743948 1065503082 /nfs/dbraw/zinc/50/30/82/1065503082.db2.gz VIWIORAVPZDWKM-HKUYNNGSSA-N 1 0 457.434 2.739 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001292755957 1065511539 /nfs/dbraw/zinc/51/15/39/1065511539.db2.gz FSKKGSZAPLPLRM-UHFFFAOYSA-N 1 0 484.693 2.977 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+](C)C)CC1 ZINC001292769419 1065526440 /nfs/dbraw/zinc/52/64/40/1065526440.db2.gz WPFSUMIMZQWLGK-KRWDZBQOSA-N 1 0 474.057 2.505 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001292773352 1065531365 /nfs/dbraw/zinc/53/13/65/1065531365.db2.gz HQPIPKYCJHEUIK-UHFFFAOYSA-N 1 0 488.681 2.860 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001292776089 1065535368 /nfs/dbraw/zinc/53/53/68/1065535368.db2.gz KCZMGSNQRQGFSX-UHFFFAOYSA-N 1 0 452.607 2.779 20 0 JFADRO CCc1nnc(Cn2c(-c3ccccc3OC)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)s1 ZINC001292790612 1065552294 /nfs/dbraw/zinc/55/22/94/1065552294.db2.gz LUPYSOQYUBVUCX-QGZVFWFLSA-N 1 0 471.631 2.963 20 0 JFADRO CCc1nnc(N(C)CC(=O)Nc2cccc(C)c2C)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292815624 1065565291 /nfs/dbraw/zinc/56/52/91/1065565291.db2.gz CDZOVHZCXXPWIF-UHFFFAOYSA-N 1 0 455.651 2.806 20 0 JFADRO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001292817119 1065566183 /nfs/dbraw/zinc/56/61/83/1065566183.db2.gz ORECWGNQVMJBFA-JOCHJYFZSA-N 1 0 490.674 2.546 20 0 JFADRO CCc1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001292868947 1065580343 /nfs/dbraw/zinc/58/03/43/1065580343.db2.gz AWIVCWRCPYJEKK-SFHVURJKSA-N 1 0 451.662 2.828 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892389 1065589682 /nfs/dbraw/zinc/58/96/82/1065589682.db2.gz CTKSBHYUTTZFJP-IRLDBZIGSA-N 1 0 454.619 2.607 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](SC)C(C)(C)C ZINC001292892894 1065591798 /nfs/dbraw/zinc/59/17/98/1065591798.db2.gz IRDKDPFEJXNHBG-IHPCNDPISA-N 1 0 450.697 2.997 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893460 1065594706 /nfs/dbraw/zinc/59/47/06/1065594706.db2.gz ORWJHAUWWGLUMQ-IFMALSPDSA-N 1 0 460.667 2.816 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(COC)CCCCC1 ZINC001292893463 1065594885 /nfs/dbraw/zinc/59/48/85/1065594885.db2.gz ORWJHAUWWGLUMQ-UNMCSNQZSA-N 1 0 460.667 2.816 20 0 JFADRO CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292914978 1065604385 /nfs/dbraw/zinc/60/43/85/1065604385.db2.gz AUKNDPXTVUWTTC-QFIPXVFZSA-N 1 0 452.603 2.783 20 0 JFADRO Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001292922871 1065610704 /nfs/dbraw/zinc/61/07/04/1065610704.db2.gz MFUXWUDCGYEFPZ-GMAHTHKFSA-N 1 0 455.603 2.755 20 0 JFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)CCOc3ccc(C(N)=O)cc3)CC2)c1C ZINC001292931902 1065621726 /nfs/dbraw/zinc/62/17/26/1065621726.db2.gz ANHVOYWGPNUROH-UHFFFAOYSA-N 1 0 454.571 2.698 20 0 JFADRO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292932997 1065622728 /nfs/dbraw/zinc/62/27/28/1065622728.db2.gz NSXBZNQFAMODST-IBGZPJMESA-N 1 0 464.655 2.961 20 0 JFADRO CN1CC[NH+](CC2CCN(C(=O)c3nnn(-c4cccc(F)c4)c3C(F)(F)F)CC2)CC1 ZINC001292940522 1065626222 /nfs/dbraw/zinc/62/62/22/1065626222.db2.gz SEKBEOGUHJGJTK-UHFFFAOYSA-N 1 0 454.472 2.525 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292951067 1065630774 /nfs/dbraw/zinc/63/07/74/1065630774.db2.gz NQWIMPCSKIBZDY-UHFFFAOYSA-N 1 0 459.683 2.532 20 0 JFADRO C[C@@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)C[NH+]1CCN(C)CC1 ZINC001292957485 1065634503 /nfs/dbraw/zinc/63/45/03/1065634503.db2.gz ACQPDBBRUHFLHS-LBPRGKRZSA-N 1 0 455.784 2.557 20 0 JFADRO Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2)c1C ZINC001292955347 1065634610 /nfs/dbraw/zinc/63/46/10/1065634610.db2.gz IWVLBMKZMNWPHW-UHFFFAOYSA-N 1 0 458.628 2.860 20 0 JFADRO C[NH+](C)CCC1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001292966096 1065645839 /nfs/dbraw/zinc/64/58/39/1065645839.db2.gz JWPZGZRGSNHMSK-UHFFFAOYSA-N 1 0 455.930 2.827 20 0 JFADRO C[N@@H+]1CCCN(CCCNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968341 1065647260 /nfs/dbraw/zinc/64/72/60/1065647260.db2.gz NZEKYBPECHSBQY-HSZRJFAPSA-N 1 0 453.587 2.722 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292979669 1065662119 /nfs/dbraw/zinc/66/21/19/1065662119.db2.gz GDQZWBICBUQTJH-QFIPXVFZSA-N 1 0 469.634 2.868 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292980205 1065663761 /nfs/dbraw/zinc/66/37/61/1065663761.db2.gz MTVMFPQDUZIFBA-ROUUACIJSA-N 1 0 457.623 2.904 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001292981649 1065666392 /nfs/dbraw/zinc/66/63/92/1065666392.db2.gz KMNJYJAPONPEHM-IBGZPJMESA-N 1 0 458.607 2.933 20 0 JFADRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001292985127 1065668695 /nfs/dbraw/zinc/66/86/95/1065668695.db2.gz FGAYHQAVSDNNHV-HXUWFJFHSA-N 1 0 459.974 2.954 20 0 JFADRO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292986117 1065670218 /nfs/dbraw/zinc/67/02/18/1065670218.db2.gz BDMUMFDBPPIJTM-SFHVURJKSA-N 1 0 463.573 2.964 20 0 JFADRO CCc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292986599 1065671815 /nfs/dbraw/zinc/67/18/15/1065671815.db2.gz FAHIHIJFZRYIGW-PXDATVDWSA-N 1 0 489.064 2.621 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292987735 1065673954 /nfs/dbraw/zinc/67/39/54/1065673954.db2.gz SCFQAAKQMBXJQN-CTNGQTDRSA-N 1 0 474.675 2.659 20 0 JFADRO CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc1 ZINC001292988423 1065676291 /nfs/dbraw/zinc/67/62/91/1065676291.db2.gz XUMLEKGMNUWXAR-UHFFFAOYSA-N 1 0 459.591 2.883 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1 ZINC001292993392 1065680836 /nfs/dbraw/zinc/68/08/36/1065680836.db2.gz OQFWNMVDEVPUCS-UHFFFAOYSA-N 1 0 458.603 2.643 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC001292993467 1065680888 /nfs/dbraw/zinc/68/08/88/1065680888.db2.gz PMHZWCAOSOCUHW-DEOSSOPVSA-N 1 0 458.628 2.702 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001293030912 1065701037 /nfs/dbraw/zinc/70/10/37/1065701037.db2.gz YFWHDTPGUHPUPH-OAQYLSRUSA-N 1 0 454.619 2.701 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031606 1065701437 /nfs/dbraw/zinc/70/14/37/1065701437.db2.gz DHEYZEBDKQLEMZ-GMAHTHKFSA-N 1 0 451.615 2.811 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293032941 1065701996 /nfs/dbraw/zinc/70/19/96/1065701996.db2.gz GIBDLDFTQDQQGW-VXKWHMMOSA-N 1 0 468.646 2.988 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293032943 1065702066 /nfs/dbraw/zinc/70/20/66/1065702066.db2.gz GIBDLDFTQDQQGW-YADHBBJMSA-N 1 0 468.646 2.988 20 0 JFADRO CCc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001293048432 1065711808 /nfs/dbraw/zinc/71/18/08/1065711808.db2.gz SNIBTYYQIOUZIR-UXHICEINSA-N 1 0 454.685 2.648 20 0 JFADRO CCc1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293066921 1065719035 /nfs/dbraw/zinc/71/90/35/1065719035.db2.gz VUWRLJLUICWEAM-OALUTQOASA-N 1 0 459.614 2.979 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001293068483 1065720456 /nfs/dbraw/zinc/72/04/56/1065720456.db2.gz QWWFKIRNBLBXTL-QFIPXVFZSA-N 1 0 460.667 2.696 20 0 JFADRO C[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1)[C@@H]1CCSC1 ZINC001293074760 1065726683 /nfs/dbraw/zinc/72/66/83/1065726683.db2.gz OTDMAUIDIXPOMS-DHIUTWEWSA-N 1 0 455.599 2.875 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(I)c(C)cc2C)CC1 ZINC001293078713 1065728713 /nfs/dbraw/zinc/72/87/13/1065728713.db2.gz BSUDTDCZOPUUQQ-UHFFFAOYSA-N 1 0 457.356 2.534 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CCCC[NH+]1CCOCC1 ZINC001293081415 1065730816 /nfs/dbraw/zinc/73/08/16/1065730816.db2.gz HTQBUGMKAOMZMV-UHFFFAOYSA-N 1 0 479.000 2.708 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001293082196 1065732030 /nfs/dbraw/zinc/73/20/30/1065732030.db2.gz WYGAGWQXONJAQC-SFHVURJKSA-N 1 0 454.600 2.873 20 0 JFADRO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293091977 1065739696 /nfs/dbraw/zinc/73/96/96/1065739696.db2.gz ITXSYKDANIZPTC-OALUTQOASA-N 1 0 450.628 2.643 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293093736 1065742577 /nfs/dbraw/zinc/74/25/77/1065742577.db2.gz IXLNUMQSLRGZNJ-RBBKRZOGSA-N 1 0 456.635 2.579 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001293094686 1065743794 /nfs/dbraw/zinc/74/37/94/1065743794.db2.gz NSFUMFYNQDPSNY-NHCUHLMSSA-N 1 0 459.683 2.674 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293094702 1065744237 /nfs/dbraw/zinc/74/42/37/1065744237.db2.gz NWSYPSURTGUKND-YADHBBJMSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001293097058 1065747617 /nfs/dbraw/zinc/74/76/17/1065747617.db2.gz YDMPYXZFGSXOMQ-GOSISDBHSA-N 1 0 462.589 2.849 20 0 JFADRO Cc1nc(CC(F)(F)F)sc1CC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001293098085 1065749013 /nfs/dbraw/zinc/74/90/13/1065749013.db2.gz FGCLLSPOWYZGFJ-UHFFFAOYSA-N 1 0 456.538 2.607 20 0 JFADRO CS(=O)(=O)c1ccc(/C=C\C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC001293109545 1065755333 /nfs/dbraw/zinc/75/53/33/1065755333.db2.gz QVUNAUBUSZDBRK-VURMDHGXSA-N 1 0 451.976 2.678 20 0 JFADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001293112807 1065758718 /nfs/dbraw/zinc/75/87/18/1065758718.db2.gz KFGGIVQEQYBRQZ-UHFFFAOYSA-N 1 0 453.635 2.842 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293115962 1065761947 /nfs/dbraw/zinc/76/19/47/1065761947.db2.gz IIUJNGOGPDZZIP-JOCHJYFZSA-N 1 0 473.710 2.876 20 0 JFADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001293117047 1065763889 /nfs/dbraw/zinc/76/38/89/1065763889.db2.gz URTDAFOLEVWKCE-CYBMUJFWSA-N 1 0 475.947 2.984 20 0 JFADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccnc1OCC(F)(F)F ZINC001293117259 1065764643 /nfs/dbraw/zinc/76/46/43/1065764643.db2.gz ZMZRUGRJRONJFB-INIZCTEOSA-N 1 0 468.524 2.914 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001293119961 1065768527 /nfs/dbraw/zinc/76/85/27/1065768527.db2.gz OTQIHIRMJAXXCX-FGZHOGPDSA-N 1 0 461.699 2.586 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001293121665 1065773632 /nfs/dbraw/zinc/77/36/32/1065773632.db2.gz UPFCIKWXGHCKOL-HFZDXXHNSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccccc1Br ZINC001293130610 1065781496 /nfs/dbraw/zinc/78/14/96/1065781496.db2.gz IRKCKHQBCOJGPT-FQEVSTJZSA-N 1 0 491.478 2.883 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccccc1Br ZINC001293130612 1065781619 /nfs/dbraw/zinc/78/16/19/1065781619.db2.gz IRKCKHQBCOJGPT-HXUWFJFHSA-N 1 0 491.478 2.883 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1ccccc1Cl ZINC001293131348 1065783295 /nfs/dbraw/zinc/78/32/95/1065783295.db2.gz OLQRCLNELUKUNK-NRFANRHFSA-N 1 0 461.054 2.968 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001293131585 1065783935 /nfs/dbraw/zinc/78/39/35/1065783935.db2.gz PFGOQJKIYJVMMK-UHFFFAOYSA-N 1 0 474.650 2.956 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001293174229 1065801695 /nfs/dbraw/zinc/80/16/95/1065801695.db2.gz YPZONWKAGVSTBL-NRFANRHFSA-N 1 0 484.645 2.949 20 0 JFADRO CCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[N@H+](C)CCOC ZINC001293177247 1065802346 /nfs/dbraw/zinc/80/23/46/1065802346.db2.gz GFIZQGVEHAWPSV-OALUTQOASA-N 1 0 450.628 2.645 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185513 1065810288 /nfs/dbraw/zinc/81/02/88/1065810288.db2.gz SWMNSQDTVMCUAL-OALUTQOASA-N 1 0 452.607 2.936 20 0 JFADRO CCc1noc(C)c1Cn1c(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206920 1065833234 /nfs/dbraw/zinc/83/32/34/1065833234.db2.gz OOWSJMOGXUAVDG-VGSWGCGISA-N 1 0 471.650 2.862 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001293209142 1065842468 /nfs/dbraw/zinc/84/24/68/1065842468.db2.gz VUWFQXRBWQWQMR-KRWDZBQOSA-N 1 0 462.668 2.848 20 0 JFADRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210316 1065845863 /nfs/dbraw/zinc/84/58/63/1065845863.db2.gz BHXQKCOJUMCHMD-OXQOHEQNSA-N 1 0 453.414 2.883 20 0 JFADRO CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC001293216362 1065854898 /nfs/dbraw/zinc/85/48/98/1065854898.db2.gz ZHBBITWSLPAYHK-NRFANRHFSA-N 1 0 458.603 2.647 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293216613 1065855417 /nfs/dbraw/zinc/85/54/17/1065855417.db2.gz JJUVPEWMVTWDOJ-ZVVDCOBXSA-N 1 0 488.608 2.771 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293219519 1065865524 /nfs/dbraw/zinc/86/55/24/1065865524.db2.gz UZCIVPPTMGWJAB-WIYYLYMNSA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001293219361 1065866122 /nfs/dbraw/zinc/86/61/22/1065866122.db2.gz RFRJEIAYPAPQAP-HMXCVIKNSA-N 1 0 462.639 2.514 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293220120 1065869393 /nfs/dbraw/zinc/86/93/93/1065869393.db2.gz QUQLHMFGJSUKJD-NQIIRXRSSA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293220118 1065869421 /nfs/dbraw/zinc/86/94/21/1065869421.db2.gz QUQLHMFGJSUKJD-GHTZIAJQSA-N 1 0 474.053 2.587 20 0 JFADRO COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1ccc(CC[NH+](C)C)cc1)CC2 ZINC001293222849 1065876784 /nfs/dbraw/zinc/87/67/84/1065876784.db2.gz BKRRFEFMYQQRRM-UHFFFAOYSA-N 1 0 453.583 2.903 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C)n2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293227988 1065881373 /nfs/dbraw/zinc/88/13/73/1065881373.db2.gz DSGNRFHEAGSLCR-QHCPKHFHSA-N 1 0 477.613 2.546 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCCC1 ZINC001293228144 1065881723 /nfs/dbraw/zinc/88/17/23/1065881723.db2.gz KYCZIXBFPOLRQT-SFHVURJKSA-N 1 0 461.408 2.908 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001293230341 1065887016 /nfs/dbraw/zinc/88/70/16/1065887016.db2.gz KHCBZMUFMSPVQI-YLJYHZDGSA-N 1 0 450.591 2.523 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001293231454 1065889317 /nfs/dbraw/zinc/88/93/17/1065889317.db2.gz HDZNEIZJRSQGMT-MOPGFXCFSA-N 1 0 491.681 2.695 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001293238583 1065894391 /nfs/dbraw/zinc/89/43/91/1065894391.db2.gz GPCXKKLYHBWQLQ-IRFCIJBXSA-N 1 0 453.635 2.735 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1CCC[NH+]1CCC(C)CC1 ZINC001293239415 1065895635 /nfs/dbraw/zinc/89/56/35/1065895635.db2.gz RNVJFVRYEDWOQK-NRFANRHFSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293239830 1065895719 /nfs/dbraw/zinc/89/57/19/1065895719.db2.gz UGAPRNWGZNWNBY-KCZVDYSFSA-N 1 0 468.646 2.780 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293241689 1065901373 /nfs/dbraw/zinc/90/13/73/1065901373.db2.gz DSGKQEJVMPJSTM-JTHBVZDNSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293241727 1065901395 /nfs/dbraw/zinc/90/13/95/1065901395.db2.gz FGVIXPVXIFPGPH-HYBUGGRVSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293242391 1065903484 /nfs/dbraw/zinc/90/34/84/1065903484.db2.gz KJZQMLUEPJBSEX-YKSBVNFPSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293244063 1065907762 /nfs/dbraw/zinc/90/77/62/1065907762.db2.gz VIILAMVNJJREQF-GGAORHGYSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001293244250 1065907879 /nfs/dbraw/zinc/90/78/79/1065907879.db2.gz CTEHNFWANUFFGE-PMACEKPBSA-N 1 0 489.665 2.941 20 0 JFADRO CC[C@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001293253034 1065917219 /nfs/dbraw/zinc/91/72/19/1065917219.db2.gz SYQKSKMQUGIAGZ-SFTDATJTSA-N 1 0 468.650 2.968 20 0 JFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001293253312 1065917743 /nfs/dbraw/zinc/91/77/43/1065917743.db2.gz LAEAVWKOBTYQKI-SFHVURJKSA-N 1 0 451.409 2.873 20 0 JFADRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001293280769 1065931899 /nfs/dbraw/zinc/93/18/99/1065931899.db2.gz FJPJTDVUVTWSAJ-CQSZACIVSA-N 1 0 450.299 2.604 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293292672 1065937513 /nfs/dbraw/zinc/93/75/13/1065937513.db2.gz KSUCAFXVSSIFJB-RTBURBONSA-N 1 0 455.607 2.786 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001293298736 1065939741 /nfs/dbraw/zinc/93/97/41/1065939741.db2.gz QWPRIAVXHRXMQR-DIJFTKHXSA-N 1 0 478.663 2.825 20 0 JFADRO CC[C@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293301257 1065941850 /nfs/dbraw/zinc/94/18/50/1065941850.db2.gz JNYVZFUHCZBNTR-CTNGQTDRSA-N 1 0 488.702 2.999 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293316119 1065946136 /nfs/dbraw/zinc/94/61/36/1065946136.db2.gz OBHNAICQUIPZFU-KSEOMHKRSA-N 1 0 453.635 2.831 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293330191 1065951332 /nfs/dbraw/zinc/95/13/32/1065951332.db2.gz KIDLHUOAVSZIBL-KSZLIROESA-N 1 0 464.636 2.943 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293329589 1065951350 /nfs/dbraw/zinc/95/13/50/1065951350.db2.gz IGCQRBKACODTKG-TWGBQZSLSA-N 1 0 476.666 2.570 20 0 JFADRO CC[C@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293330879 1065951851 /nfs/dbraw/zinc/95/18/51/1065951851.db2.gz FWVRMQOYNJWTLN-OALUTQOASA-N 1 0 473.691 2.920 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@H+](C)C1CCCC1 ZINC001293334466 1065953411 /nfs/dbraw/zinc/95/34/11/1065953411.db2.gz ZYVAJILTDIAMOP-ZWKOTPCHSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1C ZINC001293357925 1065963416 /nfs/dbraw/zinc/96/34/16/1065963416.db2.gz BPWKQUBRYHGYFT-FQEVSTJZSA-N 1 0 465.606 2.868 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361465 1065965694 /nfs/dbraw/zinc/96/56/94/1065965694.db2.gz AIVGBUWAIKTMLP-IWQHBPENSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O ZINC001293364438 1065969273 /nfs/dbraw/zinc/96/92/73/1065969273.db2.gz NOXKZIMHFLSXDG-IBGZPJMESA-N 1 0 469.055 2.848 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293364646 1065969384 /nfs/dbraw/zinc/96/93/84/1065969384.db2.gz GQXNNRQMHXPTPT-RBUKOAKNSA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001293364432 1065969421 /nfs/dbraw/zinc/96/94/21/1065969421.db2.gz NNDHQBMRBHWVBB-CEXWTWQISA-N 1 0 464.636 2.740 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001293365206 1065970135 /nfs/dbraw/zinc/97/01/35/1065970135.db2.gz SBTZZQOHDZEKEQ-PMACEKPBSA-N 1 0 461.010 2.814 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293365708 1065970954 /nfs/dbraw/zinc/97/09/54/1065970954.db2.gz VZAZNLRFFZENNW-DLBZAZTESA-N 1 0 499.479 2.924 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001293366649 1065972186 /nfs/dbraw/zinc/97/21/86/1065972186.db2.gz XTONYMVKNMEVLH-FCHUYYIVSA-N 1 0 454.619 2.859 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001293369252 1065972502 /nfs/dbraw/zinc/97/25/02/1065972502.db2.gz CJDMFJNKBSETIJ-KZNAEPCWSA-N 1 0 472.556 2.551 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369280 1065972530 /nfs/dbraw/zinc/97/25/30/1065972530.db2.gz CXVOWFSWVCCMMW-UXHICEINSA-N 1 0 461.655 2.677 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369486 1065973064 /nfs/dbraw/zinc/97/30/64/1065973064.db2.gz GWLHZTYVINKLQO-AQNXPRMDSA-N 1 0 489.665 2.939 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001293369511 1065973090 /nfs/dbraw/zinc/97/30/90/1065973090.db2.gz HJJBNNMJZBJUGC-AMFYMDPBSA-N 1 0 472.659 2.868 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001293371004 1065974110 /nfs/dbraw/zinc/97/41/10/1065974110.db2.gz DSUMSYRTZGTLDU-PMACEKPBSA-N 1 0 480.704 2.912 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293372251 1065975353 /nfs/dbraw/zinc/97/53/53/1065975353.db2.gz JCFCGPHTONSTMW-RTWAWAEBSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372551 1065975793 /nfs/dbraw/zinc/97/57/93/1065975793.db2.gz OPQCZWAMJROECV-NJYVYQBISA-N 1 0 492.665 2.776 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372556 1065975814 /nfs/dbraw/zinc/97/58/14/1065975814.db2.gz OPQCZWAMJROECV-PWRODBHTSA-N 1 0 492.665 2.776 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293373000 1065976309 /nfs/dbraw/zinc/97/63/09/1065976309.db2.gz LVXFWGTXQJGTPA-SFTDATJTSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001293373423 1065977506 /nfs/dbraw/zinc/97/75/06/1065977506.db2.gz PZLULYLXQBKZSH-QUCCMNQESA-N 1 0 452.669 2.528 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373784 1065977979 /nfs/dbraw/zinc/97/79/79/1065977979.db2.gz RKANLRRARAQROT-ZWKOTPCHSA-N 1 0 471.572 2.568 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293373576 1065978251 /nfs/dbraw/zinc/97/82/51/1065978251.db2.gz QDHVFAFUNVMAIC-SFTDATJTSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293374255 1065980239 /nfs/dbraw/zinc/98/02/39/1065980239.db2.gz VKVJMSHHMTUBFV-JOCHJYFZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001293378571 1065982520 /nfs/dbraw/zinc/98/25/20/1065982520.db2.gz TYGGRCIIDFNEBG-PMACEKPBSA-N 1 0 455.607 2.789 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293379862 1065984466 /nfs/dbraw/zinc/98/44/66/1065984466.db2.gz VBFLACCMIASPMA-GJZUVCINSA-N 1 0 490.693 2.936 20 0 JFADRO O=C(C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC001293384655 1065986058 /nfs/dbraw/zinc/98/60/58/1065986058.db2.gz VMIWTJGDKAGHSS-UHFFFAOYSA-N 1 0 459.534 2.803 20 0 JFADRO CC[C@@H]1CCCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC[NH+](C)C)C1 ZINC001293384459 1065986099 /nfs/dbraw/zinc/98/60/99/1065986099.db2.gz GWDQTRYXRKMDEC-LJQANCHMSA-N 1 0 477.679 2.751 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001293457087 1066013678 /nfs/dbraw/zinc/01/36/78/1066013678.db2.gz SHRCZJWQDJOXJV-SGIRGMQISA-N 1 0 462.683 2.829 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293461291 1066014919 /nfs/dbraw/zinc/01/49/19/1066014919.db2.gz CZDUMNQXKNCZMP-PMACEKPBSA-N 1 0 474.675 2.611 20 0 JFADRO COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001293470970 1066017768 /nfs/dbraw/zinc/01/77/68/1066017768.db2.gz RCTFDJMMSYBAHH-GOSISDBHSA-N 1 0 457.518 2.702 20 0 JFADRO COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001293470971 1066017783 /nfs/dbraw/zinc/01/77/83/1066017783.db2.gz RCTFDJMMSYBAHH-SFHVURJKSA-N 1 0 457.518 2.702 20 0 JFADRO CC1CCC([NH+]2CCN(C(=O)[C@H]3[C@H]4C(=O)N(CC(F)(F)F)C(=O)[C@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495192 1066025861 /nfs/dbraw/zinc/02/58/61/1066025861.db2.gz BOIXHSNKNZBTSM-WQWAZUFJSA-N 1 0 455.521 2.695 20 0 JFADRO CC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293496761 1066026115 /nfs/dbraw/zinc/02/61/15/1066026115.db2.gz NDJGARMWMPNKHZ-GOSISDBHSA-N 1 0 460.648 2.741 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@H](C)O1 ZINC001293506482 1066030375 /nfs/dbraw/zinc/03/03/75/1066030375.db2.gz CXHZYWGCMFYYTJ-GHTZIAJQSA-N 1 0 454.619 2.519 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3ncccc3c2)CC[N@@H+]1CCOC ZINC001293507149 1066031099 /nfs/dbraw/zinc/03/10/99/1066031099.db2.gz IARFPSBEVRMLOI-NRFANRHFSA-N 1 0 465.602 2.560 20 0 JFADRO 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CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294067410 1066538152 /nfs/dbraw/zinc/53/81/52/1066538152.db2.gz IROAOMMWDNHWGH-DHIUTWEWSA-N 1 0 484.645 2.902 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294067413 1066538257 /nfs/dbraw/zinc/53/82/57/1066538257.db2.gz IROAOMMWDNHWGH-XZOQPEGZSA-N 1 0 484.645 2.902 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC[N@@H+]1CCOC ZINC001294068728 1066539169 /nfs/dbraw/zinc/53/91/69/1066539169.db2.gz XDWJHOKOPVUWDG-MOPGFXCFSA-N 1 0 490.052 2.845 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294073139 1066542562 /nfs/dbraw/zinc/54/25/62/1066542562.db2.gz KJQZMWDJXICIKI-RTWAWAEBSA-N 1 0 474.625 2.742 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294074359 1066543417 /nfs/dbraw/zinc/54/34/17/1066543417.db2.gz RMEKSDJIEPGPKT-NTKDMRAZSA-N 1 0 475.659 2.759 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC[N@@H+]1CCOC ZINC001294075077 1066544210 /nfs/dbraw/zinc/54/42/10/1066544210.db2.gz XPLYVLVZQGGGRO-NRFANRHFSA-N 1 0 480.617 2.760 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H]2C(C)C)CC[N@@H+]1CCOC ZINC001294075506 1066544285 /nfs/dbraw/zinc/54/42/85/1066544285.db2.gz ADWOLNQBLPTJHJ-SJBKTWHCSA-N 1 0 457.623 2.733 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CC[N@@H+]1CCOC ZINC001294076485 1066545581 /nfs/dbraw/zinc/54/55/81/1066545581.db2.gz JMYSIXHKBZZINZ-FQEVSTJZSA-N 1 0 459.545 2.942 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001294077880 1066547574 /nfs/dbraw/zinc/54/75/74/1066547574.db2.gz TVMXGLCEBIBGAT-SIKLNZKXSA-N 1 0 465.602 2.774 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@@H+]1CCOC ZINC001294078597 1066548283 /nfs/dbraw/zinc/54/82/83/1066548283.db2.gz BKCZSBXOLXZFKD-NHCUHLMSSA-N 1 0 471.650 2.619 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@@H+]1CCOC ZINC001294082430 1066551178 /nfs/dbraw/zinc/55/11/78/1066551178.db2.gz REKFVFBIBVNCHH-FPOVZHCZSA-N 1 0 458.607 2.561 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC[N@@H+]1CCOC ZINC001294087546 1066559498 /nfs/dbraw/zinc/55/94/98/1066559498.db2.gz UEYKPINVXBJYOR-PWRODBHTSA-N 1 0 451.656 2.855 20 0 JFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c23)C1 ZINC001164390648 718809698 /nfs/dbraw/zinc/80/96/98/718809698.db2.gz BDDRFOQDHJDXCU-QGZVFWFLSA-N 1 0 468.671 2.860 20 0 JFADRO F[C@]1(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390425 718823299 /nfs/dbraw/zinc/82/32/99/718823299.db2.gz OMYSSCQDAAIMOQ-FVJLSDCUSA-N 1 0 452.361 2.984 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164391055 718824690 /nfs/dbraw/zinc/82/46/90/718824690.db2.gz SMSAHWAMWKPART-DLBZAZTESA-N 1 0 459.616 2.729 20 0 JFADRO c1nc2nc(N3CCN4CC[NH2+]C[C@@H]4C3)nc(N(Cc3ccccc3)Cc3ccccc3)c2[nH]1 ZINC001164398701 718836159 /nfs/dbraw/zinc/83/61/59/718836159.db2.gz JVQKJZRJAUDLEL-JOCHJYFZSA-N 1 0 454.582 2.654 20 0 JFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424085 718916336 /nfs/dbraw/zinc/91/63/36/718916336.db2.gz KUYFKKZRCPBSLR-IQGLISFBSA-N 1 0 471.671 2.997 20 0 JFADRO COc1cccc(-c2cc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164425790 718919144 /nfs/dbraw/zinc/91/91/44/718919144.db2.gz VCAYKBNLGINHFF-HXUWFJFHSA-N 1 0 454.905 2.936 20 0 JFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164425775 718919248 /nfs/dbraw/zinc/91/92/48/718919248.db2.gz UWDQLEXQAMDXQB-FQEVSTJZSA-N 1 0 470.904 2.719 20 0 JFADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(CC3)COCC(=O)N4)c21 ZINC001164424928 718934703 /nfs/dbraw/zinc/93/47/03/718934703.db2.gz RNZUCZFEENNZEU-UHFFFAOYSA-N 1 0 496.995 2.882 20 0 JFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@H]2C1 ZINC001164430394 718956427 /nfs/dbraw/zinc/95/64/27/718956427.db2.gz UDOCOQWAPRACHB-NBGIEHNGSA-N 1 0 485.032 2.838 20 0 JFADRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCS(=O)(=O)CC3)c21 ZINC001164427552 718958234 /nfs/dbraw/zinc/95/82/34/718958234.db2.gz FBLLVTKZHJVDIS-UHFFFAOYSA-N 1 0 461.971 2.632 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164433703 718968332 /nfs/dbraw/zinc/96/83/32/718968332.db2.gz MUQAXSNKBHAEGQ-KBPBESRZSA-N 1 0 460.856 2.918 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164431851 718970014 /nfs/dbraw/zinc/97/00/14/718970014.db2.gz CBLWHKBKDDFFKD-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164431670 718970792 /nfs/dbraw/zinc/97/07/92/718970792.db2.gz AITLTGAQBAQVFK-HOTGVXAUSA-N 1 0 454.827 2.685 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164615612 719010552 /nfs/dbraw/zinc/01/05/52/719010552.db2.gz JEYBDDVZULAZTG-CWTRNNRKSA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164617154 719011335 /nfs/dbraw/zinc/01/13/35/719011335.db2.gz MNZZLNUEHJJTGS-VLIAUNLRSA-N 1 0 457.953 2.890 20 0 JFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)nc1 ZINC001164618129 719032608 /nfs/dbraw/zinc/03/26/08/719032608.db2.gz SSBIIWJCGZSOLH-SFHVURJKSA-N 1 0 466.648 2.792 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC001164618038 719033281 /nfs/dbraw/zinc/03/32/81/719033281.db2.gz RGMPHOQIYPDKNW-UHFFFAOYSA-N 1 0 464.632 2.500 20 0 JFADRO CN(C)C(=O)CN1CC[C@]2(CN(c3ncccc3C[NH+]3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001164631030 719144087 /nfs/dbraw/zinc/14/40/87/719144087.db2.gz MMERTWJVRRUCKR-WNCULLNHSA-N 1 0 461.610 2.588 20 0 JFADRO Cc1cc2c(ncnc2-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1S(=O)(=O)c1ccccc1 ZINC001164682589 719609812 /nfs/dbraw/zinc/60/98/12/719609812.db2.gz FBQGFCNNOANQPB-UHFFFAOYSA-N 1 0 479.610 2.648 20 0 JFADRO CCOC(=O)c1cncnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680972 719655623 /nfs/dbraw/zinc/65/56/23/719655623.db2.gz KHVKCSBIAWOGSF-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)ncc3C(N)=O)CC2)c2ccccc21 ZINC001164680251 719658513 /nfs/dbraw/zinc/65/85/13/719658513.db2.gz DPXDRNHGUHRNGN-KRWDZBQOSA-N 1 0 470.017 2.927 20 0 JFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680204 719660722 /nfs/dbraw/zinc/66/07/22/719660722.db2.gz DDGBNQGQTVZMSE-SFHVURJKSA-N 1 0 490.608 2.790 20 0 JFADRO COC(=O)c1cc(OC)cnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679949 719663475 /nfs/dbraw/zinc/66/34/75/719663475.db2.gz BDTSCHYBLDAZNI-LJQANCHMSA-N 1 0 480.609 2.970 20 0 JFADRO COC(=O)c1cc(OC)cnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164679948 719663903 /nfs/dbraw/zinc/66/39/03/719663903.db2.gz BDTSCHYBLDAZNI-IBGZPJMESA-N 1 0 480.609 2.970 20 0 JFADRO CN(C)C(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164686913 719665899 /nfs/dbraw/zinc/66/58/99/719665899.db2.gz ZADZYMPLHSUDHU-NRFANRHFSA-N 1 0 463.626 2.877 20 0 JFADRO COC(=O)Cc1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680063 719667269 /nfs/dbraw/zinc/66/72/69/719667269.db2.gz BFARHVIGKUNPHL-FQEVSTJZSA-N 1 0 464.610 2.891 20 0 JFADRO CCNC(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680848 719677257 /nfs/dbraw/zinc/67/72/57/719677257.db2.gz HZKGJMHVGAKYLC-NRFANRHFSA-N 1 0 463.626 2.925 20 0 JFADRO COC(=O)CSc1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681047 719679346 /nfs/dbraw/zinc/67/93/46/719679346.db2.gz JAPGUXUOFXRWEN-LJQANCHMSA-N 1 0 497.665 2.835 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(NC(N)=S)cn3)CC2)c2ccccc21 ZINC001164681826 719680610 /nfs/dbraw/zinc/68/06/10/719680610.db2.gz AINPQLXFMXLFHV-GOSISDBHSA-N 1 0 466.655 2.831 20 0 JFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683050 719683061 /nfs/dbraw/zinc/68/30/61/719683061.db2.gz DZFUNCNXKGXLLS-QGZVFWFLSA-N 1 0 485.032 2.583 20 0 JFADRO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164682974 719684281 /nfs/dbraw/zinc/68/42/81/719684281.db2.gz DNMPMZGYWAVZGW-HXUWFJFHSA-N 1 0 484.666 2.969 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689362 719740166 /nfs/dbraw/zinc/74/01/66/719740166.db2.gz CSEUPKLCTWRXDQ-UHFFFAOYSA-N 1 0 498.697 2.583 20 0 JFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc(N4CCOCC4)n2)CC3)cs1 ZINC001164690862 719805872 /nfs/dbraw/zinc/80/58/72/719805872.db2.gz BGNMVTBBCFWJEB-UHFFFAOYSA-N 1 0 450.012 2.762 20 0 JFADRO 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CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929171 721879031 /nfs/dbraw/zinc/87/90/31/721879031.db2.gz AGZYJLUXUWOSGE-UXHICEINSA-N 1 0 470.687 2.617 20 0 JFADRO O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ncnc2c1CCN(Cc1ccccc1)C2 ZINC001164946273 721991524 /nfs/dbraw/zinc/99/15/24/721991524.db2.gz AOTBHVLLGWXXMM-RLWLMLJZSA-N 1 0 497.665 2.635 20 0 JFADRO CC[NH+](CC)C1CCN(c2nc3cc(CN4CCN(C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001165053760 722005031 /nfs/dbraw/zinc/00/50/31/722005031.db2.gz UWGHGDUYIXMLLD-UHFFFAOYSA-N 1 0 487.718 2.586 20 0 JFADRO CCOC(=O)c1cnc(SC)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164959466 722052438 /nfs/dbraw/zinc/05/24/38/722052438.db2.gz KLAYGLWWPGQCLK-UHFFFAOYSA-N 1 0 457.600 2.889 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c12 ZINC001164960042 722059512 /nfs/dbraw/zinc/05/95/12/722059512.db2.gz FLLLNNSRFZSIBM-UHFFFAOYSA-N 1 0 470.961 2.912 20 0 JFADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1 ZINC001164964834 722069310 /nfs/dbraw/zinc/06/93/10/722069310.db2.gz CUHPFYZQZJRVMH-HDICACEKSA-N 1 0 488.013 2.930 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164967777 722074510 /nfs/dbraw/zinc/07/45/10/722074510.db2.gz WBOHEHSWVBXPRH-INDMIFKZSA-N 1 0 476.572 2.525 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981887 722127539 /nfs/dbraw/zinc/12/75/39/722127539.db2.gz VKDMSFJGAZIKDA-CRAIPNDOSA-N 1 0 456.934 2.520 20 0 JFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980301 722133215 /nfs/dbraw/zinc/13/32/15/722133215.db2.gz MPLCKHQILDRGBQ-KNQAVFIVSA-N 1 0 453.587 2.681 20 0 JFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983776 722134741 /nfs/dbraw/zinc/13/47/41/722134741.db2.gz UURUVPIHAMPOFX-NZQKXSOJSA-N 1 0 495.605 2.795 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164976131 722137882 /nfs/dbraw/zinc/13/78/82/722137882.db2.gz HJPPWULXDOUWGA-NVXWUHKLSA-N 1 0 456.934 2.520 20 0 JFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974193 722144195 /nfs/dbraw/zinc/14/41/95/722144195.db2.gz CMNUEPWHSCHMKL-GGAORHGYSA-N 1 0 473.643 2.528 20 0 JFADRO CN(C)c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971102 722153178 /nfs/dbraw/zinc/15/31/78/722153178.db2.gz AQSBOCKIYATXQA-IRXDYDNUSA-N 1 0 452.937 2.863 20 0 JFADRO CC(=O)NCc1ncn2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CCC2 ZINC001164998134 722228811 /nfs/dbraw/zinc/22/88/11/722228811.db2.gz YDXADQFVIIJXBT-UHFFFAOYSA-N 1 0 450.921 2.900 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002753 722241969 /nfs/dbraw/zinc/24/19/69/722241969.db2.gz FVEJXHRINLQEFW-SIKLNZKXSA-N 1 0 460.586 2.681 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001164999825 722247218 /nfs/dbraw/zinc/24/72/18/722247218.db2.gz CTFVDGXDQHIFEA-RCZVLFRGSA-N 1 0 452.603 2.921 20 0 JFADRO CC[C@H]1C(=O)N(C)c2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N1C1CCCC1 ZINC001165001647 722253421 /nfs/dbraw/zinc/25/34/21/722253421.db2.gz FBBHKXPEUNUGDT-NRFANRHFSA-N 1 0 496.660 2.666 20 0 JFADRO COc1cc2nc(Cl)c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2cc1OC ZINC001165001850 722253691 /nfs/dbraw/zinc/25/36/91/722253691.db2.gz HEYOVQLWZABQMU-UHFFFAOYSA-N 1 0 460.966 2.985 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncccc1C(=O)N1CCc3ccccc31)CCC2 ZINC001165004385 722256472 /nfs/dbraw/zinc/25/64/72/722256472.db2.gz QSHZHEGQVRPEKI-UHFFFAOYSA-N 1 0 460.582 2.970 20 0 JFADRO COc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)c(OC)c1 ZINC001165004349 722256999 /nfs/dbraw/zinc/25/69/99/722256999.db2.gz QJFXMSUZUZYKLD-UHFFFAOYSA-N 1 0 452.559 2.846 20 0 JFADRO COC1(C(F)(F)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCOCC1 ZINC001299739910 1059473104 /nfs/dbraw/zinc/47/31/04/1059473104.db2.gz SEZMEDZMBSESFH-UHFFFAOYSA-N 1 0 498.619 2.542 20 0 JFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)c(C)c2)CC1 ZINC001264048659 1059512399 /nfs/dbraw/zinc/51/23/99/1059512399.db2.gz YFRUJNZIULJZIS-UHFFFAOYSA-N 1 0 454.571 2.893 20 0 JFADRO C[NH+](C)CCOc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 ZINC001264085112 1059517518 /nfs/dbraw/zinc/51/75/18/1059517518.db2.gz AHELXTLDODWLIY-UHFFFAOYSA-N 1 0 458.584 2.669 20 0 JFADRO CC[NH+]1CCN(c2ccc(NC(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)cc2)CC1 ZINC001264226442 1059542258 /nfs/dbraw/zinc/54/22/58/1059542258.db2.gz FULQAUWJGJVLHU-UHFFFAOYSA-N 1 0 457.596 2.790 20 0 JFADRO CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC001264267911 1059553736 /nfs/dbraw/zinc/55/37/36/1059553736.db2.gz IAHRXPFCYAETSH-UHFFFAOYSA-N 1 0 456.612 2.861 20 0 JFADRO CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC001264519212 1059602455 /nfs/dbraw/zinc/60/24/55/1059602455.db2.gz IXIQEQPIQXFEEY-UHFFFAOYSA-N 1 0 455.571 2.723 20 0 JFADRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)ccn1 ZINC001264622095 1059629587 /nfs/dbraw/zinc/62/95/87/1059629587.db2.gz WQFYCDMZABJXSX-UHFFFAOYSA-N 1 0 459.506 2.873 20 0 JFADRO CCc1c(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)nnn1Cc1ccc(F)cc1 ZINC001264843018 1059702559 /nfs/dbraw/zinc/70/25/59/1059702559.db2.gz BIRAAHIXLKTDBH-UHFFFAOYSA-N 1 0 452.490 2.750 20 0 JFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843106 1059703195 /nfs/dbraw/zinc/70/31/95/1059703195.db2.gz GBEVUCOCZJAWRX-KBXCAEBGSA-N 1 0 450.511 2.690 20 0 JFADRO C[C@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890953 1059719236 /nfs/dbraw/zinc/71/92/36/1059719236.db2.gz MLGAOYQZHIVQPQ-ZDUSSCGKSA-N 1 0 454.955 2.520 20 0 JFADRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001265192986 1059791857 /nfs/dbraw/zinc/79/18/57/1059791857.db2.gz RMGZDLYZSSVBFS-UHFFFAOYSA-N 1 0 458.024 2.747 20 0 JFADRO O=C(c1nn(-c2ccc(F)cc2)cc1Br)N1CC[NH+](CC2CCOCC2)CC1 ZINC001265316491 1059823683 /nfs/dbraw/zinc/82/36/83/1059823683.db2.gz WHPLOVOHRPJVOF-UHFFFAOYSA-N 1 0 451.340 2.958 20 0 JFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1nccn2c(Br)cnc12 ZINC001265524768 1059878523 /nfs/dbraw/zinc/87/85/23/1059878523.db2.gz FOQPJQUYBDYSJS-UHFFFAOYSA-N 1 0 459.348 2.895 20 0 JFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC001265525324 1059879771 /nfs/dbraw/zinc/87/97/71/1059879771.db2.gz WOVUZMWYAOQWSX-QGZVFWFLSA-N 1 0 458.481 2.939 20 0 JFADRO C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cc1 ZINC001265639675 1059902883 /nfs/dbraw/zinc/90/28/83/1059902883.db2.gz CLNOYHLPNRVIGL-XFXZXTDPSA-N 1 0 453.539 2.517 20 0 JFADRO O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NC1CCC([NH+]2CCCCC2)CC1 ZINC001265681783 1059910549 /nfs/dbraw/zinc/91/05/49/1059910549.db2.gz XXIXPOCABASRGY-UHFFFAOYSA-N 1 0 450.601 2.925 20 0 JFADRO CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001265847265 1059935324 /nfs/dbraw/zinc/93/53/24/1059935324.db2.gz KMKADQMKSBKHFU-CVDCTZTESA-N 1 0 453.624 2.800 20 0 JFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC001265849931 1059935922 /nfs/dbraw/zinc/93/59/22/1059935922.db2.gz LLFQBTZHGIDRON-DRSNIGMVSA-N 1 0 451.546 2.519 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001299747759 1059952884 /nfs/dbraw/zinc/95/28/84/1059952884.db2.gz JSYLWKBJFBKGPN-VJBWXMMDSA-N 1 0 467.680 2.761 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C[NH+](C)C)Oc4ccccc43)CC2)cc1 ZINC001266160743 1059969028 /nfs/dbraw/zinc/96/90/28/1059969028.db2.gz VJQAAKFORQTATE-HXUWFJFHSA-N 1 0 457.596 2.752 20 0 JFADRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001279602260 1059986390 /nfs/dbraw/zinc/98/63/90/1059986390.db2.gz YBVXTVGEFZUCGG-QFIPXVFZSA-N 1 0 457.615 2.796 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)cc1 ZINC001279641631 1059987524 /nfs/dbraw/zinc/98/75/24/1059987524.db2.gz WYSWGBCBTJYOGO-UHFFFAOYSA-N 1 0 457.332 2.574 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001286842142 1061112820 /nfs/dbraw/zinc/11/28/20/1061112820.db2.gz RJSMSPXENGZLET-JOCHJYFZSA-N 1 0 456.591 2.578 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286843283 1061121105 /nfs/dbraw/zinc/12/11/05/1061121105.db2.gz MOJKANDBFLOJQO-OAQYLSRUSA-N 1 0 495.672 2.758 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001286847087 1061154457 /nfs/dbraw/zinc/15/44/57/1061154457.db2.gz VXELXPDWFRQURD-PMACEKPBSA-N 1 0 487.674 2.620 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001286847915 1061161995 /nfs/dbraw/zinc/16/19/95/1061161995.db2.gz DNNICVWUDPOMLK-PMOQBDJRSA-N 1 0 454.619 2.607 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286848596 1061165824 /nfs/dbraw/zinc/16/58/24/1061165824.db2.gz IAZOKFUABPVHKV-HMXCVIKNSA-N 1 0 491.681 2.647 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286849051 1061167343 /nfs/dbraw/zinc/16/73/43/1061167343.db2.gz SZYLLRCEKRNQOG-NHCUHLMSSA-N 1 0 472.609 2.626 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3cccc(C)c3)n2CC[NH+]2CCSCC2)C1 ZINC001286849140 1061169848 /nfs/dbraw/zinc/16/98/48/1061169848.db2.gz LLPDVYKZKFCJQW-NRFANRHFSA-N 1 0 472.659 2.519 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001286849519 1061173460 /nfs/dbraw/zinc/17/34/60/1061173460.db2.gz CWJOBEBFYZHCAW-DEOSSOPVSA-N 1 0 461.614 2.701 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC[N@@H+](C)C(C)C)C1 ZINC001286849741 1061174285 /nfs/dbraw/zinc/17/42/85/1061174285.db2.gz XVZFJYJTJWNVMU-OAQYLSRUSA-N 1 0 464.618 2.776 20 0 JFADRO 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CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001286887608 1061337513 /nfs/dbraw/zinc/33/75/13/1061337513.db2.gz CWQVHWDPEPKKEA-QUCCMNQESA-N 1 0 489.665 2.891 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289735787 1061348179 /nfs/dbraw/zinc/34/81/79/1061348179.db2.gz SSOPUBDXFMVDPQ-UZUQRXQVSA-N 1 0 462.545 2.695 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001289738658 1061351410 /nfs/dbraw/zinc/35/14/10/1061351410.db2.gz BNGBKAVTKWBPKG-FQEVSTJZSA-N 1 0 467.618 2.725 20 0 JFADRO CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)ccc1Br ZINC001289740661 1061354553 /nfs/dbraw/zinc/35/45/53/1061354553.db2.gz PHQZVUUOFITHQE-ARFHVFGLSA-N 1 0 458.422 2.502 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001289740420 1061354672 /nfs/dbraw/zinc/35/46/72/1061354672.db2.gz OIRHPBFGLVQZIN-UHFFFAOYSA-N 1 0 483.661 2.648 20 0 JFADRO 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CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286896400 1061379582 /nfs/dbraw/zinc/37/95/82/1061379582.db2.gz DBUSGTZPBQGLGE-ITAUSPCMSA-N 1 0 496.660 2.929 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289768901 1061389447 /nfs/dbraw/zinc/38/94/47/1061389447.db2.gz MTBYGUFJFUZQIH-UXHICEINSA-N 1 0 493.674 2.534 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CC(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001289774309 1061396353 /nfs/dbraw/zinc/39/63/53/1061396353.db2.gz JEZBFRGLHUXSDT-UHFFFAOYSA-N 1 0 486.661 2.670 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001289774574 1061396557 /nfs/dbraw/zinc/39/65/57/1061396557.db2.gz RZQLAYOOKWVTFU-WOJBJXKFSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCCC2)CC1 ZINC001286902526 1061398588 /nfs/dbraw/zinc/39/85/88/1061398588.db2.gz BNBJWPPWBZKWNZ-UHFFFAOYSA-N 1 0 487.674 2.639 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286904524 1061410150 /nfs/dbraw/zinc/41/01/50/1061410150.db2.gz VMQYOZNLKILKGH-NLMOZGTASA-N 1 0 456.639 2.506 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001286905254 1061417366 /nfs/dbraw/zinc/41/73/66/1061417366.db2.gz YSJCCNRRPDUMFL-NNAHLOSHSA-N 1 0 486.636 2.860 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289802170 1061437684 /nfs/dbraw/zinc/43/76/84/1061437684.db2.gz GRIGOGDINLKWNE-CPJSRVTESA-N 1 0 454.619 2.988 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001289808593 1061451597 /nfs/dbraw/zinc/45/15/97/1061451597.db2.gz JXTIRXSUXGVOIN-FPOVZHCZSA-N 1 0 463.648 2.765 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)cc1C ZINC001289809235 1061454634 /nfs/dbraw/zinc/45/46/34/1061454634.db2.gz PAXLUYNOBWQXFB-NBGIEHNGSA-N 1 0 457.619 2.981 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001289810605 1061456992 /nfs/dbraw/zinc/45/69/92/1061456992.db2.gz VOJAYAQPPKARND-AVRDEDQJSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286911103 1061461197 /nfs/dbraw/zinc/46/11/97/1061461197.db2.gz GIQJHIJRRUAEGD-OAQYLSRUSA-N 1 0 466.634 2.740 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289812941 1061463748 /nfs/dbraw/zinc/46/37/48/1061463748.db2.gz XWEGBHDUZVSCAR-PZJWPPBQSA-N 1 0 454.619 2.988 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289818112 1061473004 /nfs/dbraw/zinc/47/30/04/1061473004.db2.gz JGDIWROTZDATNP-PZJWPPBQSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001286913775 1061477214 /nfs/dbraw/zinc/47/72/14/1061477214.db2.gz YVTKIOBQKAJYJT-MAUKXSAKSA-N 1 0 479.423 2.675 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001286914349 1061481964 /nfs/dbraw/zinc/48/19/64/1061481964.db2.gz XBKVKXRMUDNOAP-RXVVDRJESA-N 1 0 460.648 2.536 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001286914764 1061487465 /nfs/dbraw/zinc/48/74/65/1061487465.db2.gz GSMRKYLHDADBPU-LJQANCHMSA-N 1 0 481.645 2.748 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001289825546 1061496755 /nfs/dbraw/zinc/49/67/55/1061496755.db2.gz BXVAGQFIUXCYQP-UHFFFAOYSA-N 1 0 454.619 2.874 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCC(=O)NC(C)C)cc1C ZINC001289825867 1061500232 /nfs/dbraw/zinc/50/02/32/1061500232.db2.gz LVQJKNFQJWRUEE-UHFFFAOYSA-N 1 0 498.672 2.937 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1C ZINC001289827966 1061503780 /nfs/dbraw/zinc/50/37/80/1061503780.db2.gz MTFPCCUPFPEUOP-AVRWGWEMSA-N 1 0 454.619 2.921 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1C ZINC001289827985 1061503831 /nfs/dbraw/zinc/50/38/31/1061503831.db2.gz MTFPCCUPFPEUOP-BVZFJXPGSA-N 1 0 454.619 2.921 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289832998 1061509386 /nfs/dbraw/zinc/50/93/86/1061509386.db2.gz CIEPGQUCQDQONJ-NQIIRXRSSA-N 1 0 475.659 2.829 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)C[NH+]2CCCCC2)cc1C ZINC001289834222 1061510889 /nfs/dbraw/zinc/51/08/89/1061510889.db2.gz UMXZCNKMDFGWAN-LJQANCHMSA-N 1 0 475.659 2.831 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001286919764 1061511320 /nfs/dbraw/zinc/51/13/20/1061511320.db2.gz VNDCLBJTEXUDTH-UHFFFAOYSA-N 1 0 467.662 2.794 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001286919991 1061512021 /nfs/dbraw/zinc/51/20/21/1061512021.db2.gz ONJQVPCZVUBXJW-LJQANCHMSA-N 1 0 481.645 2.635 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286922337 1061521844 /nfs/dbraw/zinc/52/18/44/1061521844.db2.gz UHZJIXVEXORLRJ-POAQFYNOSA-N 1 0 489.665 2.636 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CC=CCC2)C1 ZINC001286922313 1061521877 /nfs/dbraw/zinc/52/18/77/1061521877.db2.gz SFZICDVEKOCXLD-KRWDZBQOSA-N 1 0 476.423 2.650 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001286922434 1061522339 /nfs/dbraw/zinc/52/23/39/1061522339.db2.gz UHUBCMDAGPJDAT-ATIYNZHBSA-N 1 0 490.693 2.793 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001286923332 1061525657 /nfs/dbraw/zinc/52/56/57/1061525657.db2.gz JKNJUKOGHSJRJD-ISKFKSNPSA-N 1 0 495.672 2.549 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286924022 1061528959 /nfs/dbraw/zinc/52/89/59/1061528959.db2.gz DNXUTGXLILARCB-HXUWFJFHSA-N 1 0 470.618 2.799 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001286924289 1061529494 /nfs/dbraw/zinc/52/94/94/1061529494.db2.gz GEUVAFPYHDZOOF-LJQANCHMSA-N 1 0 475.037 2.798 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001289856006 1061532996 /nfs/dbraw/zinc/53/29/96/1061532996.db2.gz LQCHTVSSRFQBBT-IBGZPJMESA-N 1 0 496.703 2.646 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCCC2)C1 ZINC001286925756 1061535974 /nfs/dbraw/zinc/53/59/74/1061535974.db2.gz DUZDBXQKKXQGEG-JOCHJYFZSA-N 1 0 454.619 2.922 20 0 JFADRO C[N@@H+]1C[C@@]23CN(C(=O)CS(=O)(=O)Cc4cccc(Br)c4)C[C@]2(C1)CCCC3 ZINC001289857612 1061540050 /nfs/dbraw/zinc/54/00/50/1061540050.db2.gz CGBWNHFSKUODDM-BGYRXZFFSA-N 1 0 455.418 2.698 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C)C1 ZINC001286927067 1061542599 /nfs/dbraw/zinc/54/25/99/1061542599.db2.gz QDTOLVQOQKLXDZ-SXLOBPIMSA-N 1 0 477.654 2.653 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286927079 1061543536 /nfs/dbraw/zinc/54/35/36/1061543536.db2.gz QGJKXUMPXVPZIZ-IBGZPJMESA-N 1 0 481.645 2.982 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286927091 1061543570 /nfs/dbraw/zinc/54/35/70/1061543570.db2.gz QTUSEQCHBWGUQH-KDURUIRLSA-N 1 0 475.682 2.525 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001286927525 1061544069 /nfs/dbraw/zinc/54/40/69/1061544069.db2.gz SDKPCNWETBAUHU-UHFFFAOYSA-N 1 0 481.645 2.986 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286929195 1061550873 /nfs/dbraw/zinc/55/08/73/1061550873.db2.gz NGHMBZNOHXKVOC-DNQXCXABSA-N 1 0 467.662 2.984 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286929658 1061551984 /nfs/dbraw/zinc/55/19/84/1061551984.db2.gz QAZUNEQPWLHHRI-FYYLOGMGSA-N 1 0 468.646 2.984 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001286930678 1061555944 /nfs/dbraw/zinc/55/59/44/1061555944.db2.gz SUGXNPZKVUWXJD-FYYLOGMGSA-N 1 0 470.666 2.613 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CC(=O)NC(C)C)cc1 ZINC001289875337 1061557654 /nfs/dbraw/zinc/55/76/54/1061557654.db2.gz JEYFZIQGTCNYPH-NRFANRHFSA-N 1 0 486.686 2.952 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001289878841 1061563691 /nfs/dbraw/zinc/56/36/91/1061563691.db2.gz KKUAHCADDIVJOY-LJQANCHMSA-N 1 0 452.632 2.946 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286932836 1061563863 /nfs/dbraw/zinc/56/38/63/1061563863.db2.gz JWICVSNLGGZQBE-SFHVURJKSA-N 1 0 475.037 2.919 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286933047 1061564477 /nfs/dbraw/zinc/56/44/77/1061564477.db2.gz RQNKNUMYVACDEN-HDICACEKSA-N 1 0 490.052 2.845 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001289880173 1061566941 /nfs/dbraw/zinc/56/69/41/1061566941.db2.gz ZMVOKSZPDRVKBS-FQEVSTJZSA-N 1 0 492.715 2.692 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286934758 1061570869 /nfs/dbraw/zinc/57/08/69/1061570869.db2.gz KBSQRXCHIRVAAW-PMACEKPBSA-N 1 0 486.636 2.860 20 0 JFADRO CCC[C@H]1CN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001294092294 1061572160 /nfs/dbraw/zinc/57/21/60/1061572160.db2.gz WDVLCTIMCFAETM-INIZCTEOSA-N 1 0 455.529 2.829 20 0 JFADRO Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001289890808 1061576312 /nfs/dbraw/zinc/57/63/12/1061576312.db2.gz XUQLHOBSNYYXDA-QFIPXVFZSA-N 1 0 454.619 2.831 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC[N@@H+]1CCOC ZINC001294097820 1061576931 /nfs/dbraw/zinc/57/69/31/1061576931.db2.gz CYOBVHNQUNCSTL-BHDDXSALSA-N 1 0 473.666 2.916 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(Cc3cccnc3)nnc2N2CC[NH+](CC(C)C)CC2)c1 ZINC001289894795 1061580093 /nfs/dbraw/zinc/58/00/93/1061580093.db2.gz XNTQPVICRKWHOI-UHFFFAOYSA-N 1 0 461.614 2.780 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CC[N@@H+]1CCOC ZINC001294102733 1061583143 /nfs/dbraw/zinc/58/31/43/1061583143.db2.gz FPGSPAZFZPZWFD-RTBURBONSA-N 1 0 496.454 2.726 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC001286940594 1061583531 /nfs/dbraw/zinc/58/35/31/1061583531.db2.gz CKLAKIVQRAKXNP-UGKGYDQZSA-N 1 0 477.613 2.811 20 0 JFADRO Cc1cccc(C)c1NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001289897137 1061583562 /nfs/dbraw/zinc/58/35/62/1061583562.db2.gz YMNSLKHETMMNAN-FQEVSTJZSA-N 1 0 467.618 2.736 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001286941803 1061591864 /nfs/dbraw/zinc/59/18/64/1061591864.db2.gz DKZFZALQGYODOV-GOTSBHOMSA-N 1 0 476.666 2.619 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286942214 1061593407 /nfs/dbraw/zinc/59/34/07/1061593407.db2.gz IGJGMGXTSSVLIF-AGILITTLSA-N 1 0 484.645 2.772 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286942222 1061593459 /nfs/dbraw/zinc/59/34/59/1061593459.db2.gz IGJGMGXTSSVLIF-ZTCOLXNVSA-N 1 0 484.645 2.772 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001286942296 1061593992 /nfs/dbraw/zinc/59/39/92/1061593992.db2.gz UBHJSDRTGPMTQE-LEWJYISDSA-N 1 0 463.026 2.916 20 0 JFADRO CCCCCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC001294115808 1061597293 /nfs/dbraw/zinc/59/72/93/1061597293.db2.gz LDEGUIRSCCBCGP-FQEVSTJZSA-N 1 0 468.712 2.611 20 0 JFADRO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294117352 1061599344 /nfs/dbraw/zinc/59/93/44/1061599344.db2.gz WOJVKSQAILLYCX-UGKGYDQZSA-N 1 0 475.682 2.766 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001286943253 1061599961 /nfs/dbraw/zinc/59/99/61/1061599961.db2.gz ZMHJSCSWJREZMX-MRXNPFEDSA-N 1 0 499.479 2.841 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001286943259 1061600004 /nfs/dbraw/zinc/60/00/04/1061600004.db2.gz ZOKZXHVZQCEGMS-QHCPKHFHSA-N 1 0 466.630 2.846 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001286943971 1061607230 /nfs/dbraw/zinc/60/72/30/1061607230.db2.gz DCVSNISCDJSLKN-ZJSXRUAMSA-N 1 0 468.646 2.783 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289922338 1061615130 /nfs/dbraw/zinc/61/51/30/1061615130.db2.gz NDCJNWBVVZLCAS-KDURUIRLSA-N 1 0 452.607 2.906 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001289922340 1061615175 /nfs/dbraw/zinc/61/51/75/1061615175.db2.gz NDCJNWBVVZLCAS-RTBURBONSA-N 1 0 452.607 2.906 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC001294139708 1061626166 /nfs/dbraw/zinc/62/61/66/1061626166.db2.gz OPGSWLQZCSXUSK-FJTGNWTPSA-N 1 0 455.599 2.995 20 0 JFADRO O=C(Cn1nc(C(F)F)cc1C1CC1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294145691 1061631333 /nfs/dbraw/zinc/63/13/33/1061631333.db2.gz IZYPRGFMOBBJPM-UHFFFAOYSA-N 1 0 451.562 2.929 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946629 1061636264 /nfs/dbraw/zinc/63/62/64/1061636264.db2.gz RFKXGHXAFKBHAF-QPPBQGQZSA-N 1 0 498.672 2.937 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CCc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001286946559 1061636294 /nfs/dbraw/zinc/63/62/94/1061636294.db2.gz QPMYDYSEQBCTEZ-QHCPKHFHSA-N 1 0 468.646 2.669 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001286947727 1061649762 /nfs/dbraw/zinc/64/97/62/1061649762.db2.gz WQYMRTYKWIYMNC-HSZRJFAPSA-N 1 0 484.645 2.771 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286948246 1061655191 /nfs/dbraw/zinc/65/51/91/1061655191.db2.gz VAVOAHGFVZKWHL-IBGZPJMESA-N 1 0 481.066 2.905 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948671 1061661724 /nfs/dbraw/zinc/66/17/24/1061661724.db2.gz ZYPLIZPXZTXWSQ-OTNCWRBYSA-N 1 0 498.672 2.875 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289959198 1061661807 /nfs/dbraw/zinc/66/18/07/1061661807.db2.gz JKKIFFPDFUZLFN-UHFFFAOYSA-N 1 0 492.628 2.778 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001286948770 1061663912 /nfs/dbraw/zinc/66/39/12/1061663912.db2.gz WGEIOPLZLKZIRA-GGAORHGYSA-N 1 0 489.064 2.984 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001289965829 1061671756 /nfs/dbraw/zinc/67/17/56/1061671756.db2.gz UFPABOSJFVLDQP-GHTZIAJQSA-N 1 0 451.550 2.792 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCCOCC(F)F)n1 ZINC001289972210 1061679930 /nfs/dbraw/zinc/67/99/30/1061679930.db2.gz LJOHECDKIYZVKF-UHFFFAOYSA-N 1 0 474.560 2.766 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001289972292 1061681116 /nfs/dbraw/zinc/68/11/16/1061681116.db2.gz JSEIBXNRROLQSF-UYAOXDASSA-N 1 0 460.648 2.784 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001289972595 1061683303 /nfs/dbraw/zinc/68/33/03/1061683303.db2.gz OGRBGSVVMSHORL-QFIPXVFZSA-N 1 0 489.690 2.631 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001289973766 1061686438 /nfs/dbraw/zinc/68/64/38/1061686438.db2.gz WUJUONGWTLSQEX-JOCHJYFZSA-N 1 0 483.661 2.580 20 0 JFADRO CCCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1([NH+](C)C)CCOCC1 ZINC001294192947 1061702652 /nfs/dbraw/zinc/70/26/52/1061702652.db2.gz LMWDGKMLWMFTHP-UHFFFAOYSA-N 1 0 453.591 2.539 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001294195301 1061703076 /nfs/dbraw/zinc/70/30/76/1061703076.db2.gz AUDKHHPLWRNASX-KNQAVFIVSA-N 1 0 470.618 2.970 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001294196962 1061704835 /nfs/dbraw/zinc/70/48/35/1061704835.db2.gz SOVCVUHWXDXBMN-FQEVSTJZSA-N 1 0 493.697 2.849 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001294196998 1061705398 /nfs/dbraw/zinc/70/53/98/1061705398.db2.gz SWMFUJUMQCHDMO-UFYCRDLUSA-N 1 0 484.711 2.604 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)n1 ZINC001289983527 1061705961 /nfs/dbraw/zinc/70/59/61/1061705961.db2.gz OSPGGNWTXZQZRD-DEOSSOPVSA-N 1 0 496.704 2.806 20 0 JFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 ZINC001294204510 1061709036 /nfs/dbraw/zinc/70/90/36/1061709036.db2.gz JXONGZVKONWFRU-QGZVFWFLSA-N 1 0 459.568 2.672 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001294209026 1061711838 /nfs/dbraw/zinc/71/18/38/1061711838.db2.gz MQGIIRIBCUHCQZ-BDTNDASRSA-N 1 0 481.707 2.944 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001289986619 1061712419 /nfs/dbraw/zinc/71/24/19/1061712419.db2.gz YUYMPNBFRWEIKU-GOTSBHOMSA-N 1 0 496.704 2.806 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289987977 1061712923 /nfs/dbraw/zinc/71/29/23/1061712923.db2.gz FNLHSRJVCKSIRM-RBUKOAKNSA-N 1 0 468.524 2.773 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@](C)(c4ccccc4)C3)n2CCOCC[NH+](C)C)n1 ZINC001289987864 1061712991 /nfs/dbraw/zinc/71/29/91/1061712991.db2.gz DQTLWCPWHMIXMH-RUZDIDTESA-N 1 0 450.587 2.979 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001294209838 1061713135 /nfs/dbraw/zinc/71/31/35/1061713135.db2.gz BIANNRGZCODVKD-UHFFFAOYSA-N 1 0 495.734 2.899 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001289990654 1061714758 /nfs/dbraw/zinc/71/47/58/1061714758.db2.gz BATCGJAZCPQZHY-YADHBBJMSA-N 1 0 472.634 2.636 20 0 JFADRO Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001289992662 1061718058 /nfs/dbraw/zinc/71/80/58/1061718058.db2.gz RCSMSAVTCPCXRR-FQEVSTJZSA-N 1 0 468.627 2.794 20 0 JFADRO Cc1cccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001289997496 1061721221 /nfs/dbraw/zinc/72/12/21/1061721221.db2.gz FVVOTPNCNLRBLL-YADHBBJMSA-N 1 0 454.619 2.913 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294214576 1061723298 /nfs/dbraw/zinc/72/32/98/1061723298.db2.gz JDBMPPOQGRBCOX-MRXNPFEDSA-N 1 0 450.534 2.945 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(C)C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC001294215361 1061724484 /nfs/dbraw/zinc/72/44/84/1061724484.db2.gz SCUIEPIZIJXPMJ-UHFFFAOYSA-N 1 0 472.663 2.525 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001294216764 1061725417 /nfs/dbraw/zinc/72/54/17/1061725417.db2.gz GGLNYQZQJRHENO-UHFFFAOYSA-N 1 0 486.024 2.851 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294216958 1061726316 /nfs/dbraw/zinc/72/63/16/1061726316.db2.gz MEDWMDZWJHKIIE-SFHVURJKSA-N 1 0 490.450 2.962 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001294216940 1061726724 /nfs/dbraw/zinc/72/67/24/1061726724.db2.gz LVKBOZXSHJWWEW-UHFFFAOYSA-N 1 0 451.978 2.931 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001294217121 1061727056 /nfs/dbraw/zinc/72/70/56/1061727056.db2.gz BFDZXFMHDSDSKB-UHFFFAOYSA-N 1 0 480.592 2.637 20 0 JFADRO Cc1cccc([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001290002687 1061728570 /nfs/dbraw/zinc/72/85/70/1061728570.db2.gz VBUNRLDKLPZUKR-CTNGQTDRSA-N 1 0 462.664 2.921 20 0 JFADRO Cc1cccc(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001290003414 1061729654 /nfs/dbraw/zinc/72/96/54/1061729654.db2.gz PCYCRJSJAYXFLR-FQEVSTJZSA-N 1 0 491.706 2.783 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001294219456 1061731132 /nfs/dbraw/zinc/73/11/32/1061731132.db2.gz ZCDLXEYZPVVPCZ-FQEVSTJZSA-N 1 0 470.618 2.943 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001294220798 1061731835 /nfs/dbraw/zinc/73/18/35/1061731835.db2.gz PPXVYDFLJMVTFS-UHFFFAOYSA-N 1 0 463.586 2.740 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001294221994 1061732580 /nfs/dbraw/zinc/73/25/80/1061732580.db2.gz ZPHXPFLGYMEQEN-HDICACEKSA-N 1 0 463.652 2.584 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294224363 1061735191 /nfs/dbraw/zinc/73/51/91/1061735191.db2.gz RPZWFPJLKFUFGF-SFHVURJKSA-N 1 0 476.651 2.958 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294225066 1061735838 /nfs/dbraw/zinc/73/58/38/1061735838.db2.gz ACAKUQGSOOUKAL-UQBPGWFLSA-N 1 0 491.681 2.826 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294225548 1061736319 /nfs/dbraw/zinc/73/63/19/1061736319.db2.gz FHCSGNCVSQVXRR-FCHUYYIVSA-N 1 0 459.660 2.981 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294225307 1061736431 /nfs/dbraw/zinc/73/64/31/1061736431.db2.gz BZWYECHVCOCCIA-OALUTQOASA-N 1 0 450.628 2.960 20 0 JFADRO CC(=O)NCCCn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001286964000 1061738443 /nfs/dbraw/zinc/73/84/43/1061738443.db2.gz USBDHKZSVYNIQG-UHFFFAOYSA-N 1 0 453.635 2.720 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294226346 1061739816 /nfs/dbraw/zinc/73/98/16/1061739816.db2.gz SYYHMZZIWYUYAY-VQTJNVASSA-N 1 0 492.665 2.766 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294228080 1061742412 /nfs/dbraw/zinc/74/24/12/1061742412.db2.gz ALEQWRPNPOZKFB-UUOWRZLLSA-N 1 0 477.654 2.784 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001294228923 1061744776 /nfs/dbraw/zinc/74/47/76/1061744776.db2.gz UNTFWBJMFBIPNQ-IBGZPJMESA-N 1 0 458.607 2.886 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294228981 1061745054 /nfs/dbraw/zinc/74/50/54/1061745054.db2.gz KCQGIQKLXOGHNR-DEOSSOPVSA-N 1 0 497.706 2.600 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294229232 1061745958 /nfs/dbraw/zinc/74/59/58/1061745958.db2.gz WSZOATBLYODMRY-UHFFFAOYSA-N 1 0 471.556 2.535 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294230096 1061747126 /nfs/dbraw/zinc/74/71/26/1061747126.db2.gz VLTDPWGXMNRONU-ABSDTBQOSA-N 1 0 463.545 2.818 20 0 JFADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286971333 1061748680 /nfs/dbraw/zinc/74/86/80/1061748680.db2.gz HYGFCHNQCRZXAQ-DENIHFKCSA-N 1 0 473.710 2.875 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(C)CCOCC3)CC2)c1 ZINC001290033595 1061749901 /nfs/dbraw/zinc/74/99/01/1061749901.db2.gz KWZZRYDMNCANIW-UHFFFAOYSA-N 1 0 454.619 2.864 20 0 JFADRO Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001290034571 1061750436 /nfs/dbraw/zinc/75/04/36/1061750436.db2.gz UEDZAOVMMDIDIK-IBGZPJMESA-N 1 0 486.642 2.777 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[C@@H](O)C3)CC2)c1 ZINC001290034431 1061750655 /nfs/dbraw/zinc/75/06/55/1061750655.db2.gz SIMTVNDNCFVMEO-FCHUYYIVSA-N 1 0 454.619 2.598 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H]3CCC(F)(F)C3)CC2)c1 ZINC001290034698 1061751162 /nfs/dbraw/zinc/75/11/62/1061751162.db2.gz XCVHIOIMOIMKAD-AZUAARDMSA-N 1 0 496.628 2.954 20 0 JFADRO Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC001290035105 1061751894 /nfs/dbraw/zinc/75/18/94/1061751894.db2.gz ZNMMCUUTKGDCDB-UHFFFAOYSA-N 1 0 494.562 2.848 20 0 JFADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)c1C ZINC001290037146 1061753278 /nfs/dbraw/zinc/75/32/78/1061753278.db2.gz DSJAQZJYRBJUHC-UHFFFAOYSA-N 1 0 497.688 2.595 20 0 JFADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286973042 1061757785 /nfs/dbraw/zinc/75/77/85/1061757785.db2.gz LOEFNMSNNNLHCB-IBGZPJMESA-N 1 0 459.683 2.629 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001290043848 1061760417 /nfs/dbraw/zinc/76/04/17/1061760417.db2.gz FGEWWJZDDZBOSQ-AQNXPRMDSA-N 1 0 463.648 2.908 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[NH+](C)C ZINC001286973389 1061760793 /nfs/dbraw/zinc/76/07/93/1061760793.db2.gz QJXUXYXTQGGGIL-IIYDPXPESA-N 1 0 487.468 2.634 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001290045275 1061762183 /nfs/dbraw/zinc/76/21/83/1061762183.db2.gz XNZKWSVCYDQFHX-MSYCTHLASA-N 1 0 495.715 2.861 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286974382 1061768522 /nfs/dbraw/zinc/76/85/22/1061768522.db2.gz FAFJAWUMFVSCSS-PMACEKPBSA-N 1 0 496.681 2.621 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)Cc2ccccc2C1)S(C)(=O)=O ZINC001286974384 1061768688 /nfs/dbraw/zinc/76/86/88/1061768688.db2.gz FAFJAWUMFVSCSS-VQTJNVASSA-N 1 0 496.681 2.621 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001286975030 1061772657 /nfs/dbraw/zinc/77/26/57/1061772657.db2.gz AGUWHBGRVOTILI-SFTDATJTSA-N 1 0 488.702 2.621 20 0 JFADRO CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294282003 1061773282 /nfs/dbraw/zinc/77/32/82/1061773282.db2.gz WBBOISKVAPLIHL-VXKWHMMOSA-N 1 0 490.674 2.512 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001290058278 1061778748 /nfs/dbraw/zinc/77/87/48/1061778748.db2.gz FABNXEMLXODWNT-NLFFAJNJSA-N 1 0 454.619 2.989 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001286976410 1061783270 /nfs/dbraw/zinc/78/32/70/1061783270.db2.gz ONVYZUMMXDRMKK-GGPKGHCWSA-N 1 0 462.664 2.642 20 0 JFADRO CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c(C)n1 ZINC001294296539 1061783801 /nfs/dbraw/zinc/78/38/01/1061783801.db2.gz QXZVRTQLLKXPKK-NRFANRHFSA-N 1 0 456.639 2.834 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001286976586 1061785017 /nfs/dbraw/zinc/78/50/17/1061785017.db2.gz PCLGPHISMQUQIR-KOUHRCEDSA-N 1 0 469.696 2.940 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC001294299570 1061787771 /nfs/dbraw/zinc/78/77/71/1061787771.db2.gz OJPDASILNWEROQ-UHFFFAOYSA-N 1 0 451.633 2.504 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290064445 1061788967 /nfs/dbraw/zinc/78/89/67/1061788967.db2.gz QYKNMPHYWPRZOS-QHCPKHFHSA-N 1 0 497.644 2.662 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CCS(=O)(=O)N(C)C)c1 ZINC001290069667 1061794690 /nfs/dbraw/zinc/79/46/90/1061794690.db2.gz PGBJMTSGQRUPRG-UHFFFAOYSA-N 1 0 490.674 2.512 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001290071220 1061796860 /nfs/dbraw/zinc/79/68/60/1061796860.db2.gz KCRWCSIUOGEWCQ-HXUWFJFHSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001290071441 1061797476 /nfs/dbraw/zinc/79/74/76/1061797476.db2.gz MLIZORXPIXVKPK-ICSRJNTNSA-N 1 0 452.559 2.728 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286978375 1061797864 /nfs/dbraw/zinc/79/78/64/1061797864.db2.gz JFAQPHZMUVLDQF-ZOCZFRKYSA-N 1 0 469.652 2.779 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001294309426 1061799253 /nfs/dbraw/zinc/79/92/53/1061799253.db2.gz AQZXBHBMYSXPDQ-HXUWFJFHSA-N 1 0 454.623 2.872 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001294309757 1061800085 /nfs/dbraw/zinc/80/00/85/1061800085.db2.gz YUWBCXCUPBZPMG-JOCHJYFZSA-N 1 0 459.683 2.801 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O ZINC001294309572 1061800278 /nfs/dbraw/zinc/80/02/78/1061800278.db2.gz XPUQCMAEVYKSFX-HXUWFJFHSA-N 1 0 491.658 2.852 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294310739 1061801802 /nfs/dbraw/zinc/80/18/02/1061801802.db2.gz JAUOAZZRUOINSC-LEWJYISDSA-N 1 0 491.706 2.704 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312136 1061803169 /nfs/dbraw/zinc/80/31/69/1061803169.db2.gz VEVOZRURDMXNSN-NRFANRHFSA-N 1 0 489.690 2.760 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286979565 1061807731 /nfs/dbraw/zinc/80/77/31/1061807731.db2.gz VQUWFABLLGWYSG-JLHGSKIFSA-N 1 0 499.678 2.691 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286979544 1061807998 /nfs/dbraw/zinc/80/79/98/1061807998.db2.gz VIWFFFPBHSWTIZ-SFHLNBCPSA-N 1 0 459.660 2.805 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294315659 1061808421 /nfs/dbraw/zinc/80/84/21/1061808421.db2.gz CKWOWZNAHCNKKY-FYYLOGMGSA-N 1 0 484.645 2.771 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1CCCC1 ZINC001286979980 1061810294 /nfs/dbraw/zinc/81/02/94/1061810294.db2.gz JVHDUEQMOYFBPK-PMACEKPBSA-N 1 0 485.658 2.875 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 ZINC001294316330 1061810408 /nfs/dbraw/zinc/81/04/08/1061810408.db2.gz FWBFGXLTLLEKSB-HXUWFJFHSA-N 1 0 470.618 2.847 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294316596 1061811567 /nfs/dbraw/zinc/81/15/67/1061811567.db2.gz HOWLAPWMKXPALI-NHCUHLMSSA-N 1 0 457.623 2.794 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 ZINC001294317252 1061813132 /nfs/dbraw/zinc/81/31/32/1061813132.db2.gz KLYBFFHPBACXFI-IBGZPJMESA-N 1 0 458.582 2.977 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317211 1061813173 /nfs/dbraw/zinc/81/31/73/1061813173.db2.gz KDVKXPLLFMJKNP-OALUTQOASA-N 1 0 471.654 2.762 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294317471 1061813778 /nfs/dbraw/zinc/81/37/78/1061813778.db2.gz KXSDTXRIDLVCTB-RTBURBONSA-N 1 0 487.674 2.591 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294317469 1061813809 /nfs/dbraw/zinc/81/38/09/1061813809.db2.gz KXSDTXRIDLVCTB-OALUTQOASA-N 1 0 487.674 2.591 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294317288 1061813843 /nfs/dbraw/zinc/81/38/43/1061813843.db2.gz KPEFYBFRRAHQJB-HOYKHHGWSA-N 1 0 487.674 2.626 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294317290 1061814029 /nfs/dbraw/zinc/81/40/29/1061814029.db2.gz KPEFYBFRRAHQJB-KOSHJBKYSA-N 1 0 487.674 2.626 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001294317801 1061815634 /nfs/dbraw/zinc/81/56/34/1061815634.db2.gz NDJZYHHKIZSPQH-OAQYLSRUSA-N 1 0 461.655 2.807 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294317819 1061815709 /nfs/dbraw/zinc/81/57/09/1061815709.db2.gz NVPIGEQMBQMIEF-SFHVURJKSA-N 1 0 486.583 2.949 20 0 JFADRO Cc1cccc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC001290086570 1061819050 /nfs/dbraw/zinc/81/90/50/1061819050.db2.gz SVXSAQYYQULYHT-JOCHJYFZSA-N 1 0 468.646 2.997 20 0 JFADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C ZINC001290092965 1061824434 /nfs/dbraw/zinc/82/44/34/1061824434.db2.gz CKICYKLXVSITQB-CTNGQTDRSA-N 1 0 492.690 2.705 20 0 JFADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286983126 1061831806 /nfs/dbraw/zinc/83/18/06/1061831806.db2.gz XVYXUXFYSGXABG-BHDDXSALSA-N 1 0 490.693 2.540 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001290104441 1061834038 /nfs/dbraw/zinc/83/40/38/1061834038.db2.gz WOTDTEQPXROKLK-OAQYLSRUSA-N 1 0 454.619 2.813 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1CCCCC1 ZINC001286983456 1061835656 /nfs/dbraw/zinc/83/56/56/1061835656.db2.gz VZYRYURCUKEWNM-OALUTQOASA-N 1 0 491.658 2.850 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286984719 1061846668 /nfs/dbraw/zinc/84/66/68/1061846668.db2.gz HVKTUNMXNOXKIC-UHFFFAOYSA-N 1 0 482.633 2.542 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[NH+]1CCCCC1 ZINC001290119254 1061849472 /nfs/dbraw/zinc/84/94/72/1061849472.db2.gz YWBNJGNWUCYEFN-UHFFFAOYSA-N 1 0 474.675 2.990 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001294330856 1061851134 /nfs/dbraw/zinc/85/11/34/1061851134.db2.gz BKUMZECXEAFBBG-BHIFYINESA-N 1 0 487.693 2.767 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290120987 1061851020 /nfs/dbraw/zinc/85/10/20/1061851020.db2.gz QSVUCEPZEQKFOV-OAQYLSRUSA-N 1 0 454.619 2.845 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290121123 1061851706 /nfs/dbraw/zinc/85/17/06/1061851706.db2.gz SOBVVTZAGQDHJS-HXUWFJFHSA-N 1 0 475.659 2.624 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001290125016 1061855088 /nfs/dbraw/zinc/85/50/88/1061855088.db2.gz KFMHISWBJAWRHT-PMACEKPBSA-N 1 0 460.648 2.503 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294331868 1061855545 /nfs/dbraw/zinc/85/55/45/1061855545.db2.gz HDUXAQRZWHAZTC-WHCXKFMVSA-N 1 0 482.673 2.651 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCOCC[NH+](C)C ZINC001290127096 1061857314 /nfs/dbraw/zinc/85/73/14/1061857314.db2.gz YJVNQUOPBVJYCS-HXUWFJFHSA-N 1 0 456.635 2.963 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)COc2ccc(Br)cc2F)CC1 ZINC001294332315 1061859100 /nfs/dbraw/zinc/85/91/00/1061859100.db2.gz LWWJOBDKMIPHQI-UHFFFAOYSA-N 1 0 458.372 2.710 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290128300 1061860108 /nfs/dbraw/zinc/86/01/08/1061860108.db2.gz CZEWBZOYEKHAOT-XMMPIXPASA-N 1 0 481.689 2.974 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCOCCCO ZINC001290128640 1061860245 /nfs/dbraw/zinc/86/02/45/1061860245.db2.gz FNHRNDGCDWDMNC-UHFFFAOYSA-N 1 0 470.662 2.647 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294332912 1061862350 /nfs/dbraw/zinc/86/23/50/1061862350.db2.gz LGRZWQSSJMFMEG-XXAUWVGASA-N 1 0 498.672 2.753 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001286986477 1061863082 /nfs/dbraw/zinc/86/30/82/1061863082.db2.gz QBMDJUGGVYFQNO-HXUWFJFHSA-N 1 0 474.675 2.641 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001290129794 1061863245 /nfs/dbraw/zinc/86/32/45/1061863245.db2.gz MZQPOFUGUOURRG-QFIPXVFZSA-N 1 0 479.629 2.796 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290130604 1061865179 /nfs/dbraw/zinc/86/51/79/1061865179.db2.gz WUIIFLCKYGKKNH-HSZRJFAPSA-N 1 0 481.689 2.974 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290133793 1061868160 /nfs/dbraw/zinc/86/81/60/1061868160.db2.gz WFZGBTMOPXHPFZ-OAQYLSRUSA-N 1 0 462.589 2.997 20 0 JFADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCC[NH+]2CCOCC2)CC1 ZINC001290145852 1061885170 /nfs/dbraw/zinc/88/51/70/1061885170.db2.gz OVOGUVFCNMLEIH-UHFFFAOYSA-N 1 0 482.673 2.888 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001294340932 1061886051 /nfs/dbraw/zinc/88/60/51/1061886051.db2.gz AULCZKIIEPGRBG-PWRODBHTSA-N 1 0 468.650 2.988 20 0 JFADRO Cc1ccccc1[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001290146649 1061888332 /nfs/dbraw/zinc/88/83/32/1061888332.db2.gz XOXUGUCXRXJWDA-IFMALSPDSA-N 1 0 492.690 2.893 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001286991972 1061893262 /nfs/dbraw/zinc/89/32/62/1061893262.db2.gz ZBLZURMHTYLALM-UHFFFAOYSA-N 1 0 474.675 2.856 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001290153767 1061895821 /nfs/dbraw/zinc/89/58/21/1061895821.db2.gz XQIREBCJSBNQPJ-UHFFFAOYSA-N 1 0 482.654 2.970 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CC[NH+]1CCSCC1 ZINC001290157611 1061898501 /nfs/dbraw/zinc/89/85/01/1061898501.db2.gz FXXKPSGVGLSKAB-IBGZPJMESA-N 1 0 496.603 2.731 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(=O)N(C)C ZINC001290164037 1061903505 /nfs/dbraw/zinc/90/35/05/1061903505.db2.gz GTJIOYSQQKEXLJ-OYRHEFFESA-N 1 0 468.646 2.591 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001294347643 1061906159 /nfs/dbraw/zinc/90/61/59/1061906159.db2.gz GGDKJCPXZIYZCM-NRFANRHFSA-N 1 0 453.635 2.881 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001290166830 1061910347 /nfs/dbraw/zinc/91/03/47/1061910347.db2.gz LBPRUGKSSHWTIE-YADHBBJMSA-N 1 0 488.702 2.769 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001290170733 1061913711 /nfs/dbraw/zinc/91/37/11/1061913711.db2.gz HOZOISXNTIMWSN-OFNKIYASSA-N 1 0 488.702 2.958 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 ZINC001290171737 1061916486 /nfs/dbraw/zinc/91/64/86/1061916486.db2.gz NCYDTXWORPAAMZ-OAQYLSRUSA-N 1 0 455.555 2.871 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287001318 1061916916 /nfs/dbraw/zinc/91/69/16/1061916916.db2.gz YDBZXRNNTNLAMZ-QGZVFWFLSA-N 1 0 478.041 2.914 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290173097 1061917826 /nfs/dbraw/zinc/91/78/26/1061917826.db2.gz JATYPVNEPZCQIX-JOCHJYFZSA-N 1 0 488.702 2.769 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287004842 1061923205 /nfs/dbraw/zinc/92/32/05/1061923205.db2.gz CDTHQELNLHDQOK-HXUWFJFHSA-N 1 0 474.675 2.836 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1CCCNS(C)(=O)=O ZINC001287005602 1061924606 /nfs/dbraw/zinc/92/46/06/1061924606.db2.gz UZGWBTDADBXNCN-IBGZPJMESA-N 1 0 454.685 2.607 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[NH+]1CCCC1 ZINC001287006792 1061928780 /nfs/dbraw/zinc/92/87/80/1061928780.db2.gz BYUSBWUCDLWTOM-UHFFFAOYSA-N 1 0 458.582 2.538 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287007375 1061930606 /nfs/dbraw/zinc/93/06/06/1061930606.db2.gz UNBNPTXJUJIETR-OAQYLSRUSA-N 1 0 474.675 2.569 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294359817 1061932267 /nfs/dbraw/zinc/93/22/67/1061932267.db2.gz TVYCDJWVSZXQEM-RZUBCFFCSA-N 1 0 490.693 2.803 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001294363917 1061935073 /nfs/dbraw/zinc/93/50/73/1061935073.db2.gz GPJQOPZTMXZAAH-UHFFFAOYSA-N 1 0 468.650 2.534 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287009263 1061937444 /nfs/dbraw/zinc/93/74/44/1061937444.db2.gz UYYODGCDDXXWDW-UHFFFAOYSA-N 1 0 464.561 2.964 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccs2)CC1 ZINC001290196386 1061937638 /nfs/dbraw/zinc/93/76/38/1061937638.db2.gz IDTMFAXXORXNOV-SFHVURJKSA-N 1 0 474.656 2.629 20 0 JFADRO Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290198532 1061939918 /nfs/dbraw/zinc/93/99/18/1061939918.db2.gz CGSSBWVIAQPLRE-NHCUHLMSSA-N 1 0 454.619 2.920 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287010493 1061940921 /nfs/dbraw/zinc/94/09/21/1061940921.db2.gz KJONYGDVICNSDA-FQEVSTJZSA-N 1 0 466.696 2.559 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001294372994 1061943771 /nfs/dbraw/zinc/94/37/71/1061943771.db2.gz RJJMYMGIYTXIAE-FQEVSTJZSA-N 1 0 470.618 2.895 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001294373848 1061946537 /nfs/dbraw/zinc/94/65/37/1061946537.db2.gz IOBNUNSQFLNHBP-HXUWFJFHSA-N 1 0 491.658 2.852 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287025299 1061968588 /nfs/dbraw/zinc/96/85/88/1061968588.db2.gz RHQCEUQMUMVREH-HXUWFJFHSA-N 1 0 466.696 2.745 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001287025687 1061970257 /nfs/dbraw/zinc/97/02/57/1061970257.db2.gz MVDNDYQCKZSKJA-UHFFFAOYSA-N 1 0 490.693 2.620 20 0 JFADRO CCCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294408958 1061975312 /nfs/dbraw/zinc/97/53/12/1061975312.db2.gz NASPCZBBXPHXTL-YADHBBJMSA-N 1 0 481.707 2.945 20 0 JFADRO CCCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294409684 1061976910 /nfs/dbraw/zinc/97/69/10/1061976910.db2.gz ABRKQPFGNGRVBN-HSZRJFAPSA-N 1 0 468.646 2.737 20 0 JFADRO CCCCOCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294409685 1061977225 /nfs/dbraw/zinc/97/72/25/1061977225.db2.gz ABRKQPFGNGRVBN-QHCPKHFHSA-N 1 0 468.646 2.737 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCOC[C@@H]1CCOC1 ZINC001287029545 1061978910 /nfs/dbraw/zinc/97/89/10/1061978910.db2.gz BYUGJIUNOXFCEZ-VXKWHMMOSA-N 1 0 463.667 2.859 20 0 JFADRO CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001290231831 1061980779 /nfs/dbraw/zinc/98/07/79/1061980779.db2.gz ZSXPGUAVEOTROG-OTWHNJEPSA-N 1 0 452.669 2.801 20 0 JFADRO CC1=CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001290236407 1061982882 /nfs/dbraw/zinc/98/28/82/1061982882.db2.gz PVJXOOVDRPKUPR-UHFFFAOYSA-N 1 0 458.632 2.838 20 0 JFADRO CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001294442988 1061993700 /nfs/dbraw/zinc/99/37/00/1061993700.db2.gz SHUCMOYBARSWSM-YADHBBJMSA-N 1 0 490.674 2.603 20 0 JFADRO CC1=CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001290264578 1061995438 /nfs/dbraw/zinc/99/54/38/1061995438.db2.gz LHKSWLFVLQCZKI-OAQYLSRUSA-N 1 0 473.643 2.520 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290265565 1061995909 /nfs/dbraw/zinc/99/59/09/1061995909.db2.gz NKPADJHFYGUADC-PKOBYXMFSA-N 1 0 457.434 2.645 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)C1 ZINC001294453915 1061999435 /nfs/dbraw/zinc/99/94/35/1061999435.db2.gz JRLYTKDHRSIBNB-SFHVURJKSA-N 1 0 452.563 2.747 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)C1 ZINC001294454109 1061999937 /nfs/dbraw/zinc/99/99/37/1061999937.db2.gz NWWUMIAZLPAZIS-IBGZPJMESA-N 1 0 470.618 2.748 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)C1 ZINC001294454142 1062000283 /nfs/dbraw/zinc/00/02/83/1062000283.db2.gz OQBLWTXWUFHREG-IBGZPJMESA-N 1 0 455.607 2.910 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454422 1062000898 /nfs/dbraw/zinc/00/08/98/1062000898.db2.gz QYAGGQPYYQKONA-WOJBJXKFSA-N 1 0 491.681 2.986 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001287035346 1062000863 /nfs/dbraw/zinc/00/08/63/1062000863.db2.gz MPDKVJQOEBXJLA-IBGZPJMESA-N 1 0 459.639 2.557 20 0 JFADRO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C2)c1 ZINC001290271528 1062000997 /nfs/dbraw/zinc/00/09/97/1062000997.db2.gz KOOKOYFKKTWYFD-SFTDATJTSA-N 1 0 456.639 2.883 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)c1 ZINC001290271686 1062001440 /nfs/dbraw/zinc/00/14/40/1062001440.db2.gz KTBPXURNJNVRSV-OAQYLSRUSA-N 1 0 470.666 2.960 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294455087 1062002153 /nfs/dbraw/zinc/00/21/53/1062002153.db2.gz CGOYNWHCGHMEHO-IBGZPJMESA-N 1 0 462.664 2.868 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C1 ZINC001294456764 1062004224 /nfs/dbraw/zinc/00/42/24/1062004224.db2.gz JROBJMCMBGUZDU-QZTJIDSGSA-N 1 0 494.482 2.925 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001287039436 1062005958 /nfs/dbraw/zinc/00/59/58/1062005958.db2.gz GCQLXBSSBFMFOQ-UHFFFAOYSA-N 1 0 476.629 2.652 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459625 1062006415 /nfs/dbraw/zinc/00/64/15/1062006415.db2.gz VEKDZZJMYPAXAN-QZTJIDSGSA-N 1 0 456.570 2.902 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287040947 1062008483 /nfs/dbraw/zinc/00/84/83/1062008483.db2.gz BKNPHUYFYJKKBE-UHFFFAOYSA-N 1 0 467.540 2.501 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CCO2)c1 ZINC001290279255 1062008596 /nfs/dbraw/zinc/00/85/96/1062008596.db2.gz JIPJHEZKZHUVNM-AABGKKOBSA-N 1 0 471.581 2.918 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)N(C)C)C1 ZINC001294461322 1062010505 /nfs/dbraw/zinc/01/05/05/1062010505.db2.gz WOSSCKDJRRVKGZ-INIZCTEOSA-N 1 0 487.045 2.797 20 0 JFADRO 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CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287058496 1062085280 /nfs/dbraw/zinc/08/52/80/1062085280.db2.gz ZCQSXSMHAHCGSF-QHAWAJNXSA-N 1 0 492.665 2.860 20 0 JFADRO CCCN(CCc1cccs1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001294573103 1062086392 /nfs/dbraw/zinc/08/63/92/1062086392.db2.gz LQMKWXXDGDUYCD-HSZRJFAPSA-N 1 0 469.615 2.513 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287059007 1062088300 /nfs/dbraw/zinc/08/83/00/1062088300.db2.gz BOLLPKISDHEHAD-HXUWFJFHSA-N 1 0 476.666 2.961 20 0 JFADRO Cc1nc(Cc2nnc(N(C)Cc3cccc(C(N)=O)c3)n2CCC[NH+]2CCCC2)cs1 ZINC001290392418 1062094638 /nfs/dbraw/zinc/09/46/38/1062094638.db2.gz LZLMVOCPQPVOPT-UHFFFAOYSA-N 1 0 453.616 2.855 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001287061653 1062098504 /nfs/dbraw/zinc/09/85/04/1062098504.db2.gz MMAZBDJFOQYZFQ-IFMALSPDSA-N 1 0 499.660 2.928 20 0 JFADRO Cc1nc(Cc2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290400243 1062100851 /nfs/dbraw/zinc/10/08/51/1062100851.db2.gz CSQUOSSFSYILLC-GBESFXJTSA-N 1 0 461.680 2.664 20 0 JFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC001290400529 1062102145 /nfs/dbraw/zinc/10/21/45/1062102145.db2.gz JISAGCXHLHEIBL-VWLOTQADSA-N 1 0 454.590 2.918 20 0 JFADRO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)cs1 ZINC001290404342 1062114302 /nfs/dbraw/zinc/11/43/02/1062114302.db2.gz ICUBBQRPUIXROE-ZWKOTPCHSA-N 1 0 459.664 2.955 20 0 JFADRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC[C@@H]21 ZINC001294605303 1062115405 /nfs/dbraw/zinc/11/54/05/1062115405.db2.gz FPCQTMLHAGLEAV-WBMJQRKESA-N 1 0 453.914 2.580 20 0 JFADRO CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC001294608287 1062116611 /nfs/dbraw/zinc/11/66/11/1062116611.db2.gz NEVIEPPTRYLZOQ-GOSISDBHSA-N 1 0 463.652 2.585 20 0 JFADRO CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001294611881 1062120829 /nfs/dbraw/zinc/12/08/29/1062120829.db2.gz DAHXYPGGYPWVEA-LJQANCHMSA-N 1 0 462.639 2.961 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cnc(CNC(=O)OC(C)(C)C)nc3)nc2)CC1 ZINC001294612160 1062121926 /nfs/dbraw/zinc/12/19/26/1062121926.db2.gz MCGHPDLPLXAIAF-UHFFFAOYSA-N 1 0 455.563 2.679 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cs1 ZINC001290410435 1062127233 /nfs/dbraw/zinc/12/72/33/1062127233.db2.gz CWIJHBKBFFPVED-IIBYNOLFSA-N 1 0 459.645 2.700 20 0 JFADRO CCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001294621022 1062127494 /nfs/dbraw/zinc/12/74/94/1062127494.db2.gz LBYSGQMMMKGDAG-UHFFFAOYSA-N 1 0 459.664 2.862 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290411069 1062131038 /nfs/dbraw/zinc/13/10/38/1062131038.db2.gz VUEFZJQLYALQQV-SCTDSRPQSA-N 1 0 459.664 2.704 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001290411067 1062131056 /nfs/dbraw/zinc/13/10/56/1062131056.db2.gz VUEFZJQLYALQQV-LMMKCTJWSA-N 1 0 459.664 2.704 20 0 JFADRO CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294627137 1062133734 /nfs/dbraw/zinc/13/37/34/1062133734.db2.gz OEFDKOHGPIPMMC-UHFFFAOYSA-N 1 0 466.552 2.946 20 0 JFADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1 ZINC001294629345 1062135871 /nfs/dbraw/zinc/13/58/71/1062135871.db2.gz DWOQIFWDXASIBF-QAPCUYQASA-N 1 0 456.609 2.547 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3nc(C)cc3C)C2)C1 ZINC001294632205 1062140180 /nfs/dbraw/zinc/14/01/80/1062140180.db2.gz GEIHUVOTIJBTRV-SFTDATJTSA-N 1 0 456.639 2.803 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001294632395 1062140272 /nfs/dbraw/zinc/14/02/72/1062140272.db2.gz HUGMZJFPLGRTIM-HXUWFJFHSA-N 1 0 496.660 2.939 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(F)c(OC)c3)CC2)C1 ZINC001294633542 1062143274 /nfs/dbraw/zinc/14/32/74/1062143274.db2.gz PKTDBXUFZNLWRD-LJQANCHMSA-N 1 0 487.624 2.623 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC001294634607 1062145230 /nfs/dbraw/zinc/14/52/30/1062145230.db2.gz VFANZGSXVKFMQQ-UHFFFAOYSA-N 1 0 485.652 3.000 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](Oc3ncccc3F)C2)C1 ZINC001294634927 1062145289 /nfs/dbraw/zinc/14/52/89/1062145289.db2.gz VQYAMZHEYJXSGP-MOPGFXCFSA-N 1 0 473.597 2.730 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC001294634930 1062146506 /nfs/dbraw/zinc/14/65/06/1062146506.db2.gz VQYAMZHEYJXSGP-RTBURBONSA-N 1 0 473.597 2.730 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)C1 ZINC001294634992 1062146535 /nfs/dbraw/zinc/14/65/35/1062146535.db2.gz WVBLUWDKZSIHRL-HXUWFJFHSA-N 1 0 469.634 2.840 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001294637077 1062149811 /nfs/dbraw/zinc/14/98/11/1062149811.db2.gz BMAOOZZFHYWHNB-HKUYNNGSSA-N 1 0 454.685 2.883 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001294637078 1062149879 /nfs/dbraw/zinc/14/98/79/1062149879.db2.gz BMAOOZZFHYWHNB-IEBWSBKVSA-N 1 0 454.685 2.883 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001294637482 1062150457 /nfs/dbraw/zinc/15/04/57/1062150457.db2.gz IZLIYANZLMPLOP-UXHICEINSA-N 1 0 459.683 2.703 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)CC)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294637448 1062150477 /nfs/dbraw/zinc/15/04/77/1062150477.db2.gz IEHZWEKCRHIEEI-MOPGFXCFSA-N 1 0 454.685 2.774 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(C(C)(C)C)CC2)C1 ZINC001294637737 1062152979 /nfs/dbraw/zinc/15/29/79/1062152979.db2.gz LPZVNDFPNHWFFG-ZWKOTPCHSA-N 1 0 452.669 2.803 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(C2)CCCCC3)C1 ZINC001294639823 1062156615 /nfs/dbraw/zinc/15/66/15/1062156615.db2.gz XNMGVYNGXUYZCI-RTBURBONSA-N 1 0 452.669 2.781 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294640510 1062157371 /nfs/dbraw/zinc/15/73/71/1062157371.db2.gz AXYSZPWSLHCNCC-FHWLQOOXSA-N 1 0 458.582 2.991 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294642233 1062165288 /nfs/dbraw/zinc/16/52/88/1062165288.db2.gz TTZLTUBGFVCYMD-GIVPXCGWSA-N 1 0 488.608 2.630 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294642898 1062166467 /nfs/dbraw/zinc/16/64/67/1062166467.db2.gz WRACCVJSUFDTQO-INIZCTEOSA-N 1 0 482.448 2.674 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccc(C)o3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001294645304 1062171705 /nfs/dbraw/zinc/17/17/05/1062171705.db2.gz BKLOHEDSIJGZRH-UHFFFAOYSA-N 1 0 478.663 2.734 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290425247 1062172973 /nfs/dbraw/zinc/17/29/73/1062172973.db2.gz XFVIOPDVYXHKIG-ZIFCJYIRSA-N 1 0 489.690 2.613 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001294645666 1062173089 /nfs/dbraw/zinc/17/30/89/1062173089.db2.gz DARNMVOCXCMFKE-MRXNPFEDSA-N 1 0 499.056 2.988 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294645709 1062174088 /nfs/dbraw/zinc/17/40/88/1062174088.db2.gz FLKXAHOLRMBPEZ-HKUYNNGSSA-N 1 0 479.000 2.811 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001294645742 1062175344 /nfs/dbraw/zinc/17/53/44/1062175344.db2.gz GCIPXWARRDWEDD-OAHLLOKOSA-N 1 0 489.473 2.969 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294646508 1062176334 /nfs/dbraw/zinc/17/63/34/1062176334.db2.gz LJMLIXSQEIGLCV-NQIIRXRSSA-N 1 0 461.632 2.699 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294646507 1062176359 /nfs/dbraw/zinc/17/63/59/1062176359.db2.gz LJMLIXSQEIGLCV-GHTZIAJQSA-N 1 0 461.632 2.699 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646942 1062179444 /nfs/dbraw/zinc/17/94/44/1062179444.db2.gz PDJFUJVYKINOHO-QGZVFWFLSA-N 1 0 499.056 2.941 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001294647190 1062181586 /nfs/dbraw/zinc/18/15/86/1062181586.db2.gz DBWQMGMZJJKKRR-NHCUHLMSSA-N 1 0 474.675 2.751 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001287069836 1062186402 /nfs/dbraw/zinc/18/64/02/1062186402.db2.gz MEHSBGXZMCYRJT-UHFFFAOYSA-N 1 0 499.660 2.727 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)ccc3Br)nnc2N2CCN(C)C(=O)C2)C1 ZINC001294648571 1062187899 /nfs/dbraw/zinc/18/78/99/1062187899.db2.gz KDSYUHKIXNERFB-MRXNPFEDSA-N 1 0 491.434 2.727 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001290430982 1062188592 /nfs/dbraw/zinc/18/85/92/1062188592.db2.gz GOEYLJQUFXOZTJ-QRWLVFNGSA-N 1 0 471.606 2.743 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001294649442 1062192223 /nfs/dbraw/zinc/19/22/23/1062192223.db2.gz OLEAQORDWYNFAF-MRXNPFEDSA-N 1 0 482.448 2.674 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001294650866 1062195644 /nfs/dbraw/zinc/19/56/44/1062195644.db2.gz VZCCQZCFELXGMR-UHFFFAOYSA-N 1 0 483.585 2.903 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294650938 1062195734 /nfs/dbraw/zinc/19/57/34/1062195734.db2.gz LJUABBLHKAZOQS-RTBURBONSA-N 1 0 470.622 2.961 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294650937 1062195812 /nfs/dbraw/zinc/19/58/12/1062195812.db2.gz LJUABBLHKAZOQS-RBUKOAKNSA-N 1 0 470.622 2.961 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C1 ZINC001294651465 1062196997 /nfs/dbraw/zinc/19/69/97/1062196997.db2.gz YFYRZJYDZBOCRF-MRXNPFEDSA-N 1 0 461.408 2.766 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001294651441 1062197036 /nfs/dbraw/zinc/19/70/36/1062197036.db2.gz XVJVXUWWLRPZJA-INIZCTEOSA-N 1 0 478.439 2.859 20 0 JFADRO CC(C)(C)OC(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001287070942 1062197159 /nfs/dbraw/zinc/19/71/59/1062197159.db2.gz SXEUAQJLEWGONV-UHFFFAOYSA-N 1 0 491.662 2.715 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)cs1 ZINC001290433107 1062197354 /nfs/dbraw/zinc/19/73/54/1062197354.db2.gz SHJGFAXCXHKORE-SFHVURJKSA-N 1 0 459.664 2.670 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001290433508 1062198263 /nfs/dbraw/zinc/19/82/63/1062198263.db2.gz VUYBQAFGQLHLDC-SFHVURJKSA-N 1 0 467.643 2.823 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C(=O)c4ccccn4)CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290433606 1062199513 /nfs/dbraw/zinc/19/95/13/1062199513.db2.gz YOFBRJYFDVGCRB-UHFFFAOYSA-N 1 0 482.658 2.579 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001290433643 1062200297 /nfs/dbraw/zinc/20/02/97/1062200297.db2.gz WHGGAJRBYZNUPI-HXUWFJFHSA-N 1 0 471.679 2.670 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N(C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC001294656677 1062201744 /nfs/dbraw/zinc/20/17/44/1062201744.db2.gz HKEMBYUHISXFEI-IBGZPJMESA-N 1 0 452.603 2.941 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287071394 1062202000 /nfs/dbraw/zinc/20/20/00/1062202000.db2.gz MOTZGAYZGNOKCP-WOJBJXKFSA-N 1 0 485.633 2.680 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(Cc4cscn4)CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290435035 1062202719 /nfs/dbraw/zinc/20/27/19/1062202719.db2.gz FAMAGAFVNVFFEK-UHFFFAOYSA-N 1 0 460.677 2.753 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@@H](C)C2)C1 ZINC001294657996 1062203301 /nfs/dbraw/zinc/20/33/01/1062203301.db2.gz NGPIAPLVTSEPAH-ACRUOGEOSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001294658333 1062203994 /nfs/dbraw/zinc/20/39/94/1062203994.db2.gz OWDMTMXGPNLAQJ-QFIPXVFZSA-N 1 0 496.722 2.605 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001294658395 1062204792 /nfs/dbraw/zinc/20/47/92/1062204792.db2.gz PJQRACFFPSVGBF-QFIPXVFZSA-N 1 0 454.619 2.900 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001294658737 1062205956 /nfs/dbraw/zinc/20/59/56/1062205956.db2.gz QWOAFDDPHYKUAB-LEWJYISDSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001294659052 1062206528 /nfs/dbraw/zinc/20/65/28/1062206528.db2.gz UKHNZRACJNKLQY-IAGOWNOFSA-N 1 0 452.554 2.745 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC001290439556 1062207216 /nfs/dbraw/zinc/20/72/16/1062207216.db2.gz GDKRLKKYUKRPIJ-VQIMIIECSA-N 1 0 450.678 2.812 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC001290439810 1062207449 /nfs/dbraw/zinc/20/74/49/1062207449.db2.gz JFLNAKMZYVOHQG-KRWDZBQOSA-N 1 0 463.721 2.849 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294659365 1062207352 /nfs/dbraw/zinc/20/73/52/1062207352.db2.gz UGYKKAGYIYQSAB-UFYCRDLUSA-N 1 0 462.639 2.960 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001294659727 1062207975 /nfs/dbraw/zinc/20/79/75/1062207975.db2.gz XIOCPTAXCZFIPK-FQEVSTJZSA-N 1 0 473.710 2.778 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294661000 1062210891 /nfs/dbraw/zinc/21/08/91/1062210891.db2.gz HYNDZBPVBGOQNG-FPOVZHCZSA-N 1 0 463.623 2.753 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001294661107 1062211595 /nfs/dbraw/zinc/21/15/95/1062211595.db2.gz ITECOJSIUZCDKR-RTWAWAEBSA-N 1 0 492.665 2.506 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294661825 1062212745 /nfs/dbraw/zinc/21/27/45/1062212745.db2.gz WVXRIPWLZBYEBZ-HKUYNNGSSA-N 1 0 460.573 2.936 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001294661898 1062213507 /nfs/dbraw/zinc/21/35/07/1062213507.db2.gz BXKDFQXQZJUAFH-ZRZAMGCNSA-N 1 0 457.619 2.850 20 0 JFADRO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)C2)no1 ZINC001290441949 1062213738 /nfs/dbraw/zinc/21/37/38/1062213738.db2.gz PTXRUWLGTPGIPJ-SBHAEUEKSA-N 1 0 486.665 2.935 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001294662438 1062214398 /nfs/dbraw/zinc/21/43/98/1062214398.db2.gz NAFFZGRAHNGJDO-OALUTQOASA-N 1 0 472.659 2.951 20 0 JFADRO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)C2)no1 ZINC001290441952 1062214472 /nfs/dbraw/zinc/21/44/72/1062214472.db2.gz PTXRUWLGTPGIPJ-ZVDOUQERSA-N 1 0 486.665 2.935 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001294663115 1062214868 /nfs/dbraw/zinc/21/48/68/1062214868.db2.gz QSOJSTUVKQHEFF-FQEVSTJZSA-N 1 0 493.578 2.891 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC001294663817 1062216776 /nfs/dbraw/zinc/21/67/76/1062216776.db2.gz SYTFPNJXGRBHRA-RBUKOAKNSA-N 1 0 462.664 2.644 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294665214 1062217393 /nfs/dbraw/zinc/21/73/93/1062217393.db2.gz YEWPBCAPHAJJEK-IBGZPJMESA-N 1 0 457.598 2.591 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294666571 1062219857 /nfs/dbraw/zinc/21/98/57/1062219857.db2.gz GHPVGDOOBIUQFJ-SFHVURJKSA-N 1 0 476.025 2.704 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294666643 1062219949 /nfs/dbraw/zinc/21/99/49/1062219949.db2.gz IHQDOKJBXBVPBC-FQEVSTJZSA-N 1 0 470.618 2.703 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001294666970 1062220386 /nfs/dbraw/zinc/22/03/86/1062220386.db2.gz ONESGVZSWNLVHI-UXHICEINSA-N 1 0 454.619 2.818 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001294666971 1062220503 /nfs/dbraw/zinc/22/05/03/1062220503.db2.gz ONESGVZSWNLVHI-VQTJNVASSA-N 1 0 454.619 2.818 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC001294667113 1062221237 /nfs/dbraw/zinc/22/12/37/1062221237.db2.gz RTXMEPQWMOIEKK-NRFANRHFSA-N 1 0 456.639 2.832 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001294667146 1062221277 /nfs/dbraw/zinc/22/12/77/1062221277.db2.gz SFQCJZJJTCDGIS-OAQYLSRUSA-N 1 0 484.645 2.950 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001294670231 1062227495 /nfs/dbraw/zinc/22/74/95/1062227495.db2.gz QIOKQKZNFCFCNZ-LJQANCHMSA-N 1 0 492.665 2.958 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001294670923 1062229506 /nfs/dbraw/zinc/22/95/06/1062229506.db2.gz UKTNGCRCVTYLJM-YTFSRNRJSA-N 1 0 490.693 2.660 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cn2)CC1 ZINC001294674086 1062233402 /nfs/dbraw/zinc/23/34/02/1062233402.db2.gz DEDCLLDHIJHUIH-UHFFFAOYSA-N 1 0 452.538 2.818 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCc2nccnc2C)CC1 ZINC001294674666 1062233641 /nfs/dbraw/zinc/23/36/41/1062233641.db2.gz LXDAJIABLHUPRE-UHFFFAOYSA-N 1 0 463.590 2.577 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674962 1062235101 /nfs/dbraw/zinc/23/51/01/1062235101.db2.gz PHNMISYPBDKNBT-XUVXKRRUSA-N 1 0 478.638 2.591 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001294675215 1062236312 /nfs/dbraw/zinc/23/63/12/1062236312.db2.gz GRQMBDNNSWUPQD-KPLVRAHFSA-N 1 0 470.684 2.547 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001294677560 1062238412 /nfs/dbraw/zinc/23/84/12/1062238412.db2.gz KKXHMIOPOWXBBW-UHFFFAOYSA-N 1 0 493.612 2.815 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001294678171 1062239015 /nfs/dbraw/zinc/23/90/15/1062239015.db2.gz QCTYIZFTVMSNOM-UHFFFAOYSA-N 1 0 461.010 2.768 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001294679600 1062239078 /nfs/dbraw/zinc/23/90/78/1062239078.db2.gz YHOGRVHFGUDLOX-HXUWFJFHSA-N 1 0 490.674 2.688 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CC1 ZINC001294682669 1062240837 /nfs/dbraw/zinc/24/08/37/1062240837.db2.gz FYIIXMXJJITKAZ-INIZCTEOSA-N 1 0 467.586 2.817 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)CC1 ZINC001294682974 1062241914 /nfs/dbraw/zinc/24/19/14/1062241914.db2.gz DFTCVUMPPVMQHD-LJQANCHMSA-N 1 0 456.591 2.605 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2C)CC1 ZINC001294683446 1062242880 /nfs/dbraw/zinc/24/28/80/1062242880.db2.gz OJBVTFOXNDCSQA-HXUWFJFHSA-N 1 0 475.659 2.878 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)COC2)CC1 ZINC001294683771 1062243552 /nfs/dbraw/zinc/24/35/52/1062243552.db2.gz RKUZQSDULRJEPN-HXUWFJFHSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 ZINC001294684180 1062243933 /nfs/dbraw/zinc/24/39/33/1062243933.db2.gz SWQNNHOTLCGXCG-MNAQKMTRSA-N 1 0 461.632 2.870 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001294685010 1062245155 /nfs/dbraw/zinc/24/51/55/1062245155.db2.gz WCTPENUYSWLMDB-UHFFFAOYSA-N 1 0 450.591 2.996 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(=O)N(C)CC)CC1 ZINC001294685379 1062246297 /nfs/dbraw/zinc/24/62/97/1062246297.db2.gz ZEAZUOHBEXCKOR-UHFFFAOYSA-N 1 0 464.618 2.920 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001294686014 1062246810 /nfs/dbraw/zinc/24/68/10/1062246810.db2.gz CNPSZKRSLDLXEZ-UHFFFAOYSA-N 1 0 477.613 2.730 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001294688453 1062249215 /nfs/dbraw/zinc/24/92/15/1062249215.db2.gz ZJIKUJMSDKBJPH-UHFFFAOYSA-N 1 0 463.623 2.896 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001294692870 1062252530 /nfs/dbraw/zinc/25/25/30/1062252530.db2.gz DRDPMHUECNITRS-BRWVUGGUSA-N 1 0 462.611 2.634 20 0 JFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)c1 ZINC001290468474 1062255553 /nfs/dbraw/zinc/25/55/53/1062255553.db2.gz IUKZXKBKHULIFY-JOCHJYFZSA-N 1 0 455.647 2.988 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 ZINC001294695597 1062257174 /nfs/dbraw/zinc/25/71/74/1062257174.db2.gz OOZIEJOFPVMKRC-LJQANCHMSA-N 1 0 469.590 2.579 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)cs1 ZINC001290469563 1062259888 /nfs/dbraw/zinc/25/98/88/1062259888.db2.gz QPSYGELQGXUZKZ-NRFANRHFSA-N 1 0 471.679 2.742 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(CC(C)C)n3CCCC[NH+]3CCOCC3)CC2)cs1 ZINC001290469610 1062259960 /nfs/dbraw/zinc/25/99/60/1062259960.db2.gz RVRFFMYMTGVPBA-UHFFFAOYSA-N 1 0 461.680 2.676 20 0 JFADRO Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)CC2)c1 ZINC001290470793 1062262174 /nfs/dbraw/zinc/26/21/74/1062262174.db2.gz OATSSRCOKPOXMF-UKILVPOCSA-N 1 0 452.574 2.982 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699272 1062262392 /nfs/dbraw/zinc/26/23/92/1062262392.db2.gz NXVGUVJABBOYQZ-HXUWFJFHSA-N 1 0 452.669 2.576 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294698953 1062262684 /nfs/dbraw/zinc/26/26/84/1062262684.db2.gz LUYWWMNHYYLQKM-HXUWFJFHSA-N 1 0 478.663 2.971 20 0 JFADRO C[NH+](C)CCn1c2cc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCCC3)ccc2[nH]c1=O ZINC001290473463 1062263354 /nfs/dbraw/zinc/26/33/54/1062263354.db2.gz VIPGHYAYEGMZMC-UHFFFAOYSA-N 1 0 450.543 2.645 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001294700217 1062264849 /nfs/dbraw/zinc/26/48/49/1062264849.db2.gz VOBJQBMTCGOVPQ-UNMCSNQZSA-N 1 0 489.690 2.712 20 0 JFADRO Cc1ncc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC[NH+](C)C)s1 ZINC001290475126 1062266696 /nfs/dbraw/zinc/26/66/96/1062266696.db2.gz WSLHLXGHUGLTEU-UHFFFAOYSA-N 1 0 483.642 2.904 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001294701394 1062267435 /nfs/dbraw/zinc/26/74/35/1062267435.db2.gz ZDKMOSXWXVHTIG-QGZVFWFLSA-N 1 0 469.055 2.848 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C ZINC001294706403 1062270208 /nfs/dbraw/zinc/27/02/08/1062270208.db2.gz JXZSAOWTVPDKGM-QFIPXVFZSA-N 1 0 497.692 2.677 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001294707391 1062272112 /nfs/dbraw/zinc/27/21/12/1062272112.db2.gz OBAQQCPHEKBJCS-QFIPXVFZSA-N 1 0 459.683 2.676 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294708014 1062272939 /nfs/dbraw/zinc/27/29/39/1062272939.db2.gz PTOAKOZXUJMEIW-LEWJYISDSA-N 1 0 463.623 2.896 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708577 1062275432 /nfs/dbraw/zinc/27/54/32/1062275432.db2.gz SEPWKUORRGGTND-WOJBJXKFSA-N 1 0 496.703 2.573 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(CC(F)(F)F)CC2)n1CC[NH+]1CCCC1 ZINC001287089277 1062275594 /nfs/dbraw/zinc/27/55/94/1062275594.db2.gz LLTIHXYDWXHNAZ-QZTJIDSGSA-N 1 0 458.573 2.977 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 ZINC001294708978 1062276354 /nfs/dbraw/zinc/27/63/54/1062276354.db2.gz UBVMGWUWQMQJFN-IBGZPJMESA-N 1 0 490.599 2.707 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294709420 1062277605 /nfs/dbraw/zinc/27/76/05/1062277605.db2.gz LOEZQHPOEPDUQQ-FPOVZHCZSA-N 1 0 454.619 2.809 20 0 JFADRO CC(C)(C)[S@](=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001287090303 1062281509 /nfs/dbraw/zinc/28/15/09/1062281509.db2.gz XCSMUWXHXNPFST-MQFAKOPTSA-N 1 0 467.680 2.616 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712575 1062282907 /nfs/dbraw/zinc/28/29/07/1062282907.db2.gz UFSAEQRMWBIFBV-QFIPXVFZSA-N 1 0 453.635 2.833 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(CC(C)(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)s1 ZINC001290496024 1062284104 /nfs/dbraw/zinc/28/41/04/1062284104.db2.gz AVPGXANZEPZVSB-UHFFFAOYSA-N 1 0 475.707 2.801 20 0 JFADRO CCCN1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1=O ZINC001294712803 1062284369 /nfs/dbraw/zinc/28/43/69/1062284369.db2.gz VEHNNJHPJVAJMV-JOCHJYFZSA-N 1 0 481.645 2.936 20 0 JFADRO CCCN1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC001294712804 1062284389 /nfs/dbraw/zinc/28/43/89/1062284389.db2.gz VEHNNJHPJVAJMV-QFIPXVFZSA-N 1 0 481.645 2.936 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294712971 1062284805 /nfs/dbraw/zinc/28/48/05/1062284805.db2.gz WTHSIEVGNWGJNQ-NHCUHLMSSA-N 1 0 494.731 2.961 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290497037 1062287190 /nfs/dbraw/zinc/28/71/90/1062287190.db2.gz TVMDADLMCVSQME-VQTJNVASSA-N 1 0 461.680 2.845 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713615 1062287606 /nfs/dbraw/zinc/28/76/06/1062287606.db2.gz ZTGQBKDCJAIRGQ-UXHICEINSA-N 1 0 463.623 2.896 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1=O ZINC001294719466 1062292651 /nfs/dbraw/zinc/29/26/51/1062292651.db2.gz GEHHRIUZAWGPSL-OFVILXPXSA-N 1 0 476.666 2.643 20 0 JFADRO CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001287094899 1062297652 /nfs/dbraw/zinc/29/76/52/1062297652.db2.gz RDOAZGLPLJUUAN-GOSISDBHSA-N 1 0 458.573 2.978 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C)[NH+](C)C)CC1=O ZINC001294722734 1062300518 /nfs/dbraw/zinc/30/05/18/1062300518.db2.gz XIQRNPZDJGDUMP-INIZCTEOSA-N 1 0 450.534 2.945 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287099702 1062308212 /nfs/dbraw/zinc/30/82/12/1062308212.db2.gz LUXAXBZJYGXLTN-OAHLLOKOSA-N 1 0 482.398 2.776 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001287099745 1062308520 /nfs/dbraw/zinc/30/85/20/1062308520.db2.gz NHIGXSGVNOFMKA-UHFFFAOYSA-N 1 0 485.507 2.536 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1=O ZINC001294732082 1062312757 /nfs/dbraw/zinc/31/27/57/1062312757.db2.gz ALUISFKVNXFCKG-QFIPXVFZSA-N 1 0 460.667 2.989 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001294733190 1062314154 /nfs/dbraw/zinc/31/41/54/1062314154.db2.gz LBRUHQHFDKLAPM-FCHUYYIVSA-N 1 0 454.619 2.842 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001294733414 1062314956 /nfs/dbraw/zinc/31/49/56/1062314956.db2.gz BYRMDUUBTYJHTR-NRFANRHFSA-N 1 0 486.636 2.958 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294733664 1062315297 /nfs/dbraw/zinc/31/52/97/1062315297.db2.gz MSODWNUOILOXSZ-GOTSBHOMSA-N 1 0 490.693 2.758 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(C)c1I)c1cccc(OC)c1 ZINC001290520928 1062320386 /nfs/dbraw/zinc/32/03/86/1062320386.db2.gz RNOVDNPIVVXQSG-MRXNPFEDSA-N 1 0 456.328 2.846 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001287110070 1062323875 /nfs/dbraw/zinc/32/38/75/1062323875.db2.gz QFNMDAYLMHAZAK-UHFFFAOYSA-N 1 0 493.656 2.967 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001287112206 1062328249 /nfs/dbraw/zinc/32/82/49/1062328249.db2.gz JTVDFOCMMOYEPL-OAQYLSRUSA-N 1 0 465.602 2.855 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294743568 1062332358 /nfs/dbraw/zinc/33/23/58/1062332358.db2.gz CNRWNPVGXCCUJZ-MOPGFXCFSA-N 1 0 484.605 2.515 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001294743747 1062332764 /nfs/dbraw/zinc/33/27/64/1062332764.db2.gz GVZQJBWGMXBCPD-UNMCSNQZSA-N 1 0 481.645 2.984 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001287113579 1062333198 /nfs/dbraw/zinc/33/31/98/1062333198.db2.gz MQYXGSKRORXABB-UHFFFAOYSA-N 1 0 456.635 2.869 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC(C)(OC)C1 ZINC001294743966 1062334666 /nfs/dbraw/zinc/33/46/66/1062334666.db2.gz IHAYLKVTPHKGDJ-IBGZPJMESA-N 1 0 461.010 2.961 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001294744422 1062335721 /nfs/dbraw/zinc/33/57/21/1062335721.db2.gz TYLCJOVNVKAUBJ-NRFANRHFSA-N 1 0 473.666 2.662 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294744597 1062335960 /nfs/dbraw/zinc/33/59/60/1062335960.db2.gz YETCWNWYCRROGC-MOPGFXCFSA-N 1 0 498.632 2.903 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC(N)=O ZINC001294744859 1062337110 /nfs/dbraw/zinc/33/71/10/1062337110.db2.gz GJCQHBVZSFSZBV-MJGOQNOKSA-N 1 0 450.591 2.910 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294748802 1062340328 /nfs/dbraw/zinc/34/03/28/1062340328.db2.gz FOKYQYWYYLBRMI-QHCPKHFHSA-N 1 0 467.662 2.592 20 0 JFADRO O=C(CCC(=O)c1ccc(I)cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC001294752090 1062340722 /nfs/dbraw/zinc/34/07/22/1062340722.db2.gz JWNUIYLOVDVRCS-KRWDZBQOSA-N 1 0 458.340 2.607 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O ZINC001294751502 1062340927 /nfs/dbraw/zinc/34/09/27/1062340927.db2.gz XMNDDNZQZRLFAJ-KRWDZBQOSA-N 1 0 455.028 2.739 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001287115427 1062341637 /nfs/dbraw/zinc/34/16/37/1062341637.db2.gz IPSUNBVWECLYGH-XZOQPEGZSA-N 1 0 468.646 2.757 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001290542681 1062343826 /nfs/dbraw/zinc/34/38/26/1062343826.db2.gz SYWUCLBWDJGQCY-OSPHWJPCSA-N 1 0 459.639 2.788 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294755270 1062345542 /nfs/dbraw/zinc/34/55/42/1062345542.db2.gz OMLOTCFAPFIGCQ-OALUTQOASA-N 1 0 486.583 2.941 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001294755790 1062345825 /nfs/dbraw/zinc/34/58/25/1062345825.db2.gz SMIGOYBLUKWWMD-SXLOBPIMSA-N 1 0 461.632 2.958 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294757436 1062347276 /nfs/dbraw/zinc/34/72/76/1062347276.db2.gz LRIZJXLVSWLVEJ-OALUTQOASA-N 1 0 451.662 2.818 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294757835 1062347976 /nfs/dbraw/zinc/34/79/76/1062347976.db2.gz PDTUCFSYKSJXDX-OALUTQOASA-N 1 0 496.582 2.519 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001294758058 1062348873 /nfs/dbraw/zinc/34/88/73/1062348873.db2.gz SCTRTKMAHXBMNX-IBGZPJMESA-N 1 0 490.674 2.979 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290547974 1062349054 /nfs/dbraw/zinc/34/90/54/1062349054.db2.gz PYGYXDIIKURCFX-NHCUHLMSSA-N 1 0 468.581 2.658 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294759575 1062350201 /nfs/dbraw/zinc/35/02/01/1062350201.db2.gz GNEZNPFHGVTZAL-XQBPLPMBSA-N 1 0 488.599 2.877 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001287117225 1062350653 /nfs/dbraw/zinc/35/06/53/1062350653.db2.gz FPWWNFIZBJNYIA-RTWAWAEBSA-N 1 0 465.602 2.901 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294760310 1062350851 /nfs/dbraw/zinc/35/08/51/1062350851.db2.gz NMMZDYIIGBNTCF-ZRNYENFQSA-N 1 0 489.665 2.625 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001287117227 1062350905 /nfs/dbraw/zinc/35/09/05/1062350905.db2.gz FPWWNFIZBJNYIA-SFTDATJTSA-N 1 0 465.602 2.901 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CC)n2C[C@@H](C(C)C)N2CCOCC2)c2ccccc2c1=O ZINC001294763088 1062351348 /nfs/dbraw/zinc/35/13/48/1062351348.db2.gz ACEHAYNGHZQHBW-NRFANRHFSA-N 1 0 467.618 2.878 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001287117440 1062351743 /nfs/dbraw/zinc/35/17/43/1062351743.db2.gz HPPQCKSRZMIHAX-VAMGGRTRSA-N 1 0 458.607 2.809 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290549473 1062352728 /nfs/dbraw/zinc/35/27/28/1062352728.db2.gz MJOFGLDZKDIPMO-FQEVSTJZSA-N 1 0 470.647 2.752 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294764868 1062354378 /nfs/dbraw/zinc/35/43/78/1062354378.db2.gz OORFXVPMDDXQCX-TUFLPTIASA-N 1 0 478.638 2.591 20 0 JFADRO Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001290557253 1062360432 /nfs/dbraw/zinc/36/04/32/1062360432.db2.gz KZSWAMVWVXLYQM-QHCPKHFHSA-N 1 0 451.619 2.731 20 0 JFADRO CCCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768370 1062362803 /nfs/dbraw/zinc/36/28/03/1062362803.db2.gz NPYZCRJTZAWZRN-RTBURBONSA-N 1 0 494.644 2.509 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001287121319 1062367094 /nfs/dbraw/zinc/36/70/94/1062367094.db2.gz WYTCYKNXBZXDPB-LJQANCHMSA-N 1 0 454.623 2.598 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001294770398 1062368435 /nfs/dbraw/zinc/36/84/35/1062368435.db2.gz FTHXHNWUFSUTBK-OALUTQOASA-N 1 0 469.634 2.523 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001287121686 1062369068 /nfs/dbraw/zinc/36/90/68/1062369068.db2.gz CCNCFXJQIYFQMO-UHFFFAOYSA-N 1 0 453.635 2.879 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001294771165 1062370074 /nfs/dbraw/zinc/37/00/74/1062370074.db2.gz NRWVMKIRYYFLQX-PMACEKPBSA-N 1 0 481.645 2.621 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001287122178 1062371593 /nfs/dbraw/zinc/37/15/93/1062371593.db2.gz CUPCKUYXCBGXKG-FQEVSTJZSA-N 1 0 470.666 2.932 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287122616 1062373256 /nfs/dbraw/zinc/37/32/56/1062373256.db2.gz APIZPOGUYVRFEB-CTNGQTDRSA-N 1 0 473.666 2.625 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001287123464 1062377793 /nfs/dbraw/zinc/37/77/93/1062377793.db2.gz JZVFCWCLKFCGCH-UHFFFAOYSA-N 1 0 486.636 2.860 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287123548 1062378095 /nfs/dbraw/zinc/37/80/95/1062378095.db2.gz LHJHXFMKPNOKGB-AUSIDOKSSA-N 1 0 464.680 2.698 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001287124281 1062381047 /nfs/dbraw/zinc/38/10/47/1062381047.db2.gz RSQPNTGZADZHTH-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287124292 1062381462 /nfs/dbraw/zinc/38/14/62/1062381462.db2.gz HMNRCLCGZRWWME-YADHBBJMSA-N 1 0 489.709 2.534 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001294780477 1062383708 /nfs/dbraw/zinc/38/37/08/1062383708.db2.gz LZNVIMVNLXRMFS-SFTDATJTSA-N 1 0 496.660 2.933 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001287125223 1062386296 /nfs/dbraw/zinc/38/62/96/1062386296.db2.gz ZEZJRBAMAGZWGE-NHCUHLMSSA-N 1 0 470.666 2.932 20 0 JFADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)n1 ZINC001290581544 1062387787 /nfs/dbraw/zinc/38/77/87/1062387787.db2.gz MWKRPZAWVJJQJK-OAQYLSRUSA-N 1 0 456.639 2.947 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290583449 1062391550 /nfs/dbraw/zinc/39/15/50/1062391550.db2.gz HREWZPWJHFNNEE-RTWAWAEBSA-N 1 0 471.654 2.788 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+]3CCCO)C2)n1 ZINC001290585279 1062393927 /nfs/dbraw/zinc/39/39/27/1062393927.db2.gz UOODEOZGGGOKGE-LEWJYISDSA-N 1 0 458.655 2.763 20 0 JFADRO CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287126942 1062394452 /nfs/dbraw/zinc/39/44/52/1062394452.db2.gz GDDCBQGZWDTTTG-IRLDBZIGSA-N 1 0 487.693 2.872 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001290586680 1062396628 /nfs/dbraw/zinc/39/66/28/1062396628.db2.gz OSDSAUWBCPMBTN-UXHICEINSA-N 1 0 479.695 2.662 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001294789620 1062397817 /nfs/dbraw/zinc/39/78/17/1062397817.db2.gz MNEQPVOLUKGOFD-IRLDBZIGSA-N 1 0 485.677 2.863 20 0 JFADRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789768 1062398519 /nfs/dbraw/zinc/39/85/19/1062398519.db2.gz RZABMOYOCZNHDF-XUZZJYLKSA-N 1 0 451.567 2.790 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294790120 1062399862 /nfs/dbraw/zinc/39/98/62/1062399862.db2.gz OMQJEABKZGAQPV-NHCUHLMSSA-N 1 0 472.634 2.946 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001290599376 1062426695 /nfs/dbraw/zinc/42/66/95/1062426695.db2.gz FIRAGGAXPHFVPR-RTBURBONSA-N 1 0 451.623 2.934 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001294797297 1062432238 /nfs/dbraw/zinc/43/22/38/1062432238.db2.gz SBZXEGFLRMECBV-DNVJHFABSA-N 1 0 495.672 2.837 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cscn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001290601061 1062433713 /nfs/dbraw/zinc/43/37/13/1062433713.db2.gz XHHLBKJEJSOFOO-FQEVSTJZSA-N 1 0 458.636 2.589 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001294799479 1062439729 /nfs/dbraw/zinc/43/97/29/1062439729.db2.gz GEXWJMPUIPDZGJ-VSKRKVRLSA-N 1 0 454.619 2.828 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001294799477 1062439865 /nfs/dbraw/zinc/43/98/65/1062439865.db2.gz GEXWJMPUIPDZGJ-BHIFYINESA-N 1 0 454.619 2.828 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+](C)C(C)C ZINC001287133602 1062443680 /nfs/dbraw/zinc/44/36/80/1062443680.db2.gz LJZPTIWUGNDOGZ-IBGZPJMESA-N 1 0 479.670 2.899 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290607149 1062449598 /nfs/dbraw/zinc/44/95/98/1062449598.db2.gz MOUNTZUBSZXPDG-BDTNDASRSA-N 1 0 459.639 2.644 20 0 JFADRO CC(C)C(=O)NCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001287135539 1062459605 /nfs/dbraw/zinc/45/96/05/1062459605.db2.gz QMXGPUNVQFGNSY-GOSISDBHSA-N 1 0 458.582 2.861 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@]4(CCOC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290617374 1062471487 /nfs/dbraw/zinc/47/14/87/1062471487.db2.gz IPZXOTAVXRDGCF-ZJSXRUAMSA-N 1 0 459.639 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)n1 ZINC001290618994 1062478106 /nfs/dbraw/zinc/47/81/06/1062478106.db2.gz YIDQVIZTFJKENK-DSKINZAPSA-N 1 0 486.665 2.973 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C(C)C)C3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001290620281 1062480882 /nfs/dbraw/zinc/48/08/82/1062480882.db2.gz IZRDMSNQGTYSRQ-HSZRJFAPSA-N 1 0 456.683 2.896 20 0 JFADRO CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287138607 1062485073 /nfs/dbraw/zinc/48/50/73/1062485073.db2.gz ABMHWOMKYVFGAO-SZPZYZBQSA-N 1 0 499.679 2.775 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001294814537 1062492390 /nfs/dbraw/zinc/49/23/90/1062492390.db2.gz YEFNYHQKHFVUCF-KNQAVFIVSA-N 1 0 470.666 2.614 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290624831 1062492452 /nfs/dbraw/zinc/49/24/52/1062492452.db2.gz FXHWZNVJQHFDNB-JOCHJYFZSA-N 1 0 484.693 2.955 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001290625176 1062494500 /nfs/dbraw/zinc/49/45/00/1062494500.db2.gz IVBXCVSDYGGDPV-CTNGQTDRSA-N 1 0 486.665 2.831 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCN(C)CC(F)(F)F)n1 ZINC001290630076 1062504089 /nfs/dbraw/zinc/50/40/89/1062504089.db2.gz YHGHFXVSQRGWRX-UHFFFAOYSA-N 1 0 470.588 2.991 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001294822580 1062507151 /nfs/dbraw/zinc/50/71/51/1062507151.db2.gz LSKURVRFHUQVNI-UHFFFAOYSA-N 1 0 494.644 2.924 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001294822803 1062508824 /nfs/dbraw/zinc/50/88/24/1062508824.db2.gz QQADDLODJXQKDQ-HXUWFJFHSA-N 1 0 471.650 2.527 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001290632129 1062508975 /nfs/dbraw/zinc/50/89/75/1062508975.db2.gz VZJUDSZAKHESCS-REWPJTCUSA-N 1 0 461.680 2.828 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](n4cncn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001290635211 1062514535 /nfs/dbraw/zinc/51/45/35/1062514535.db2.gz LDNDBWQLDPDNBZ-NHCUHLMSSA-N 1 0 454.627 2.549 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001294828407 1062515336 /nfs/dbraw/zinc/51/53/36/1062515336.db2.gz KWEQUNQYRBCOLE-JOCHJYFZSA-N 1 0 454.619 2.635 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001287148341 1062516118 /nfs/dbraw/zinc/51/61/18/1062516118.db2.gz MTXJAUYYZALJEI-VWLOTQADSA-N 1 0 467.618 2.520 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290635923 1062516843 /nfs/dbraw/zinc/51/68/43/1062516843.db2.gz QCUOROWZWLNCDI-HXUWFJFHSA-N 1 0 470.666 2.755 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001290636623 1062520186 /nfs/dbraw/zinc/52/01/86/1062520186.db2.gz ZSEXAWMEUKMIGI-OAQYLSRUSA-N 1 0 470.666 2.886 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001287151145 1062522274 /nfs/dbraw/zinc/52/22/74/1062522274.db2.gz ROWDHYDYQZRVBM-SANMLTNESA-N 1 0 470.662 3.000 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001294833339 1062522397 /nfs/dbraw/zinc/52/23/97/1062522397.db2.gz YYXJNKWNVBDSIJ-HSZRJFAPSA-N 1 0 495.672 2.754 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001287151403 1062522948 /nfs/dbraw/zinc/52/29/48/1062522948.db2.gz ARHGTMAVCGTXLV-HXUWFJFHSA-N 1 0 451.619 2.979 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001290640116 1062525286 /nfs/dbraw/zinc/52/52/86/1062525286.db2.gz IOHOAXCITCNKFF-TZIWHRDSSA-N 1 0 486.665 2.926 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290640134 1062526351 /nfs/dbraw/zinc/52/63/51/1062526351.db2.gz RSQCVBZQMXHNJW-UGKGYDQZSA-N 1 0 470.666 2.709 20 0 JFADRO CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001294838398 1062528966 /nfs/dbraw/zinc/52/89/66/1062528966.db2.gz LNZWAVWBRZSPMO-UHFFFAOYSA-N 1 0 490.612 2.554 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCCOCC(C)C)n1 ZINC001290645054 1062533654 /nfs/dbraw/zinc/53/36/54/1062533654.db2.gz DIKJXNYLJFLEDB-JOCHJYFZSA-N 1 0 473.666 2.892 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290645647 1062535407 /nfs/dbraw/zinc/53/54/07/1062535407.db2.gz CIJKHKOELQUIGY-IBGZPJMESA-N 1 0 482.599 2.944 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC001290646447 1062537602 /nfs/dbraw/zinc/53/76/02/1062537602.db2.gz PRBRXDIOBHDPDM-SFHVURJKSA-N 1 0 482.599 2.946 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCNC(=O)c2occc2C)n1 ZINC001290647691 1062542386 /nfs/dbraw/zinc/54/23/86/1062542386.db2.gz YQSFAKNUXDIPRJ-UHFFFAOYSA-N 1 0 482.633 2.639 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCSCC2)CC1 ZINC001287156843 1062544847 /nfs/dbraw/zinc/54/48/47/1062544847.db2.gz QINUGWRXXLTBBF-HXUWFJFHSA-N 1 0 485.702 2.690 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+]1CCOCC1 ZINC001287156935 1062545746 /nfs/dbraw/zinc/54/57/46/1062545746.db2.gz RYIWKZJXJVHMJI-LJQANCHMSA-N 1 0 499.557 2.719 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001287157299 1062546801 /nfs/dbraw/zinc/54/68/01/1062546801.db2.gz MJLCEZRSZCIINB-IEBWSBKVSA-N 1 0 456.591 2.537 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287157367 1062547443 /nfs/dbraw/zinc/54/74/43/1062547443.db2.gz WJSRUNIEIQMWML-AZUAARDMSA-N 1 0 483.583 2.713 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001287157373 1062547506 /nfs/dbraw/zinc/54/75/06/1062547506.db2.gz WJSRUNIEIQMWML-UYAOXDASSA-N 1 0 483.583 2.713 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[NH+]2CCCCCC2)n1 ZINC001290649582 1062547848 /nfs/dbraw/zinc/54/78/48/1062547848.db2.gz RYHFRCRBJMPBJG-JOCHJYFZSA-N 1 0 459.639 2.646 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001290650243 1062549665 /nfs/dbraw/zinc/54/96/65/1062549665.db2.gz ZHANGYNKZFVYLI-UGKGYDQZSA-N 1 0 459.639 2.502 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158602 1062552309 /nfs/dbraw/zinc/55/23/09/1062552309.db2.gz FUNUUCRNAAKFPE-GSPCLOLRSA-N 1 0 462.683 2.838 20 0 JFADRO CCCNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001294858491 1062558821 /nfs/dbraw/zinc/55/88/21/1062558821.db2.gz CRRFGDIBQSDBLU-UHFFFAOYSA-N 1 0 480.661 2.991 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001287160344 1062558863 /nfs/dbraw/zinc/55/88/63/1062558863.db2.gz QXCGWFGRTBWRBG-BBTUJRGHSA-N 1 0 456.591 2.611 20 0 JFADRO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287161517 1062562900 /nfs/dbraw/zinc/56/29/00/1062562900.db2.gz AXPJOVAAQUDHSC-AQNXPRMDSA-N 1 0 489.665 2.623 20 0 JFADRO CC(C)[C@H](Cn1c(CC2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287162153 1062565331 /nfs/dbraw/zinc/56/53/31/1062565331.db2.gz GBFZUTVOQBFNKK-QFIPXVFZSA-N 1 0 480.723 2.897 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001287162770 1062566226 /nfs/dbraw/zinc/56/62/26/1062566226.db2.gz PCBDHWROUBHLID-PZJWPPBQSA-N 1 0 468.650 2.987 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001287162771 1062566400 /nfs/dbraw/zinc/56/64/00/1062566400.db2.gz PCBDHWROUBHLID-TZIWHRDSSA-N 1 0 468.650 2.987 20 0 JFADRO CC(C)[C@H](Cn1c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001287164373 1062573952 /nfs/dbraw/zinc/57/39/52/1062573952.db2.gz JZTUGBFTGLMPBX-DEOSSOPVSA-N 1 0 489.753 2.927 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287164820 1062574937 /nfs/dbraw/zinc/57/49/37/1062574937.db2.gz YLGROJNGZRDELA-HKUYNNGSSA-N 1 0 469.556 2.703 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287165977 1062576879 /nfs/dbraw/zinc/57/68/79/1062576879.db2.gz XLFHSNOKRVBCSD-HSALFYBXSA-N 1 0 489.665 2.782 20 0 JFADRO CC(C)c1csc([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001287167335 1062579815 /nfs/dbraw/zinc/57/98/15/1062579815.db2.gz PGNMCBSAKBKGDX-BRWVUGGUSA-N 1 0 483.708 2.802 20 0 JFADRO CC(C)c1csc([C@@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001287167338 1062579861 /nfs/dbraw/zinc/57/98/61/1062579861.db2.gz PGNMCBSAKBKGDX-YESZJQIVSA-N 1 0 483.708 2.802 20 0 JFADRO Cc1cc(C)n(CCCn2c(N3CC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)n1 ZINC001290671262 1062580419 /nfs/dbraw/zinc/58/04/19/1062580419.db2.gz HQHWCWCUZFONBY-DEOSSOPVSA-N 1 0 459.639 2.753 20 0 JFADRO CC(C)c1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001287167588 1062580717 /nfs/dbraw/zinc/58/07/17/1062580717.db2.gz VHXLOUVHNMVDHA-LJQANCHMSA-N 1 0 456.639 2.610 20 0 JFADRO CCCNC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294873631 1062583252 /nfs/dbraw/zinc/58/32/52/1062583252.db2.gz YHOSLDKCGKQNDK-MOPGFXCFSA-N 1 0 477.654 2.797 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)[NH+](C)C)cn1 ZINC001287169876 1062584117 /nfs/dbraw/zinc/58/41/17/1062584117.db2.gz DAVNRDRNEBFEJZ-IBGZPJMESA-N 1 0 463.590 2.815 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCC2)cn1 ZINC001287173177 1062595177 /nfs/dbraw/zinc/59/51/77/1062595177.db2.gz HULYDZNAXIMWPQ-IBGZPJMESA-N 1 0 475.663 2.604 20 0 JFADRO CC(C)c1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287173402 1062595691 /nfs/dbraw/zinc/59/56/91/1062595691.db2.gz BZJGBOFFCHQZKK-OAQYLSRUSA-N 1 0 489.734 2.999 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](C)C)c2)cn1 ZINC001287173216 1062595851 /nfs/dbraw/zinc/59/58/51/1062595851.db2.gz IZSJUHXFBCOZMA-OAQYLSRUSA-N 1 0 462.602 2.889 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC001287174707 1062598010 /nfs/dbraw/zinc/59/80/10/1062598010.db2.gz SJDRKMMPKMMUND-XMMPIXPASA-N 1 0 471.556 2.764 20 0 JFADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001287186531 1062613475 /nfs/dbraw/zinc/61/34/75/1062613475.db2.gz XSSXBJAUKGKZBE-HFSMHLIXSA-N 1 0 456.639 2.569 20 0 JFADRO CCCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294895078 1062623415 /nfs/dbraw/zinc/62/34/15/1062623415.db2.gz JJSOTMZSPNPRFT-UHFFFAOYSA-N 1 0 450.591 2.578 20 0 JFADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287200506 1062638230 /nfs/dbraw/zinc/63/82/30/1062638230.db2.gz DWYWKFMYRQYJTO-QFIPXVFZSA-N 1 0 497.679 2.752 20 0 JFADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290706838 1062640769 /nfs/dbraw/zinc/64/07/69/1062640769.db2.gz MRJDMVKEWJSVTO-JQKXYWIWSA-N 1 0 462.639 2.800 20 0 JFADRO Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001290708843 1062642809 /nfs/dbraw/zinc/64/28/09/1062642809.db2.gz KOKBVYYHEKMTGC-HXUWFJFHSA-N 1 0 450.628 2.659 20 0 JFADRO Cc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001290709437 1062642885 /nfs/dbraw/zinc/64/28/85/1062642885.db2.gz PYINSOQTHWNMFT-UHFFFAOYSA-N 1 0 484.649 2.951 20 0 JFADRO Cc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001290708573 1062642928 /nfs/dbraw/zinc/64/29/28/1062642928.db2.gz GYCPOLRRVCYIDV-UHFFFAOYSA-N 1 0 479.633 2.962 20 0 JFADRO Cc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001290710067 1062642941 /nfs/dbraw/zinc/64/29/41/1062642941.db2.gz UMBNTTBZMLIXJW-SFHVURJKSA-N 1 0 460.627 2.639 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287205247 1062650015 /nfs/dbraw/zinc/65/00/15/1062650015.db2.gz BCLXJSXESOLLAF-VSKRKVRLSA-N 1 0 460.667 2.987 20 0 JFADRO CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294909980 1062653887 /nfs/dbraw/zinc/65/38/87/1062653887.db2.gz FCZZWAVGYHWTOP-QHCPKHFHSA-N 1 0 461.614 2.891 20 0 JFADRO CC(C)c1nnc(N2CCC=C(Br)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287208530 1062654900 /nfs/dbraw/zinc/65/49/00/1062654900.db2.gz UQUFIBILISINCN-QGZVFWFLSA-N 1 0 453.429 2.833 20 0 JFADRO CC(C)c1nnc(N2CCC=C(Br)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287208529 1062654932 /nfs/dbraw/zinc/65/49/32/1062654932.db2.gz UQUFIBILISINCN-KRWDZBQOSA-N 1 0 453.429 2.833 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287208560 1062654987 /nfs/dbraw/zinc/65/49/87/1062654987.db2.gz FOCBKRPVHRSMPX-KNQAVFIVSA-N 1 0 484.736 2.670 20 0 JFADRO CCCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](CC)C1 ZINC001294910106 1062655058 /nfs/dbraw/zinc/65/50/58/1062655058.db2.gz FLHQLZMUNAHUJL-QFIPXVFZSA-N 1 0 467.662 2.795 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001287213213 1062670304 /nfs/dbraw/zinc/67/03/04/1062670304.db2.gz ZASLVQKYJAMPJS-RBUKOAKNSA-N 1 0 457.627 2.588 20 0 JFADRO Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290759581 1062672793 /nfs/dbraw/zinc/67/27/93/1062672793.db2.gz HOWXKOOIOGGFOQ-ZVDOUQERSA-N 1 0 454.619 2.964 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287214407 1062677629 /nfs/dbraw/zinc/67/76/29/1062677629.db2.gz LDJBOLARZWHVJK-QHCPKHFHSA-N 1 0 460.623 2.940 20 0 JFADRO CCCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001294920986 1062687849 /nfs/dbraw/zinc/68/78/49/1062687849.db2.gz UCNLDXMFPVLBKQ-IBGZPJMESA-N 1 0 477.654 2.654 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCc1c(F)cccc1F ZINC001290770499 1062688667 /nfs/dbraw/zinc/68/86/67/1062688667.db2.gz PLQIHMZFIHSVBY-UHFFFAOYSA-N 1 0 460.573 2.926 20 0 JFADRO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287215919 1062689402 /nfs/dbraw/zinc/68/94/02/1062689402.db2.gz MBEVKIKZNKTRNI-YLJYHZDGSA-N 1 0 459.664 2.555 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1cccc(I)c1 ZINC001294923659 1062692306 /nfs/dbraw/zinc/69/23/06/1062692306.db2.gz UXAKOOGZQNUHFB-UHFFFAOYSA-N 1 0 454.308 2.966 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001287216494 1062692635 /nfs/dbraw/zinc/69/26/35/1062692635.db2.gz RKWMJDUVEWLMGH-JOCHJYFZSA-N 1 0 483.661 2.647 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 ZINC001287216922 1062695118 /nfs/dbraw/zinc/69/51/18/1062695118.db2.gz WGASBHFRWHBKJG-UHFFFAOYSA-N 1 0 453.635 2.671 20 0 JFADRO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001290793436 1062699723 /nfs/dbraw/zinc/69/97/23/1062699723.db2.gz UXLBLOKQWIHSSU-MRXNPFEDSA-N 1 0 464.536 2.928 20 0 JFADRO CC(C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287218615 1062700156 /nfs/dbraw/zinc/70/01/56/1062700156.db2.gz DBEWVQHMGGHYHD-HSZRJFAPSA-N 1 0 460.623 2.827 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001294928615 1062703841 /nfs/dbraw/zinc/70/38/41/1062703841.db2.gz MGQZNTVTNUCLRY-XMMPIXPASA-N 1 0 470.618 2.929 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001287220687 1062705847 /nfs/dbraw/zinc/70/58/47/1062705847.db2.gz ZQWBZFIHVRRNLZ-UYAOXDASSA-N 1 0 488.599 2.744 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001287222205 1062707484 /nfs/dbraw/zinc/70/74/84/1062707484.db2.gz CFIHFJNAKLQHRO-UHFFFAOYSA-N 1 0 483.705 2.766 20 0 JFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)c1 ZINC001290806801 1062709259 /nfs/dbraw/zinc/70/92/59/1062709259.db2.gz YEIDRICYCDZZGU-SANMLTNESA-N 1 0 450.627 2.914 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001287223602 1062710285 /nfs/dbraw/zinc/71/02/85/1062710285.db2.gz NYOQHEFFRTYXTM-UHFFFAOYSA-N 1 0 458.582 2.519 20 0 JFADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001290808998 1062710610 /nfs/dbraw/zinc/71/06/10/1062710610.db2.gz LQHQKCYAKFSJML-SFHVURJKSA-N 1 0 455.607 2.640 20 0 JFADRO CC[C@@H](CNC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001290815866 1062713076 /nfs/dbraw/zinc/71/30/76/1062713076.db2.gz ZWEXUMCNVJUJQN-SFTDATJTSA-N 1 0 458.628 2.933 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001287225339 1062713928 /nfs/dbraw/zinc/71/39/28/1062713928.db2.gz YVPSBJPFEFZJKK-PMACEKPBSA-N 1 0 457.671 2.791 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294935885 1062713967 /nfs/dbraw/zinc/71/39/67/1062713967.db2.gz ROXUZSJEYVNJIR-JWQCQUIFSA-N 1 0 473.618 2.814 20 0 JFADRO CN1CC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819212 1062715209 /nfs/dbraw/zinc/71/52/09/1062715209.db2.gz CWUZEUNSESDFMM-WMZHIEFXSA-N 1 0 456.537 2.813 20 0 JFADRO Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001290824120 1062717976 /nfs/dbraw/zinc/71/79/76/1062717976.db2.gz MUBZUZQZDVFMEQ-WOJBJXKFSA-N 1 0 464.636 2.515 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001294939526 1062719965 /nfs/dbraw/zinc/71/99/65/1062719965.db2.gz VZODQQGYEJDPEB-IBGZPJMESA-N 1 0 470.618 2.929 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001294939840 1062722988 /nfs/dbraw/zinc/72/29/88/1062722988.db2.gz DWDUNQVPWCQGAB-HXUWFJFHSA-N 1 0 486.661 2.994 20 0 JFADRO Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001290832001 1062724233 /nfs/dbraw/zinc/72/42/33/1062724233.db2.gz JWAZXLXGMTVKSY-DHIUTWEWSA-N 1 0 468.646 2.723 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCC[N@@H+]2CCC)cc1OC ZINC001294940222 1062725280 /nfs/dbraw/zinc/72/52/80/1062725280.db2.gz OIPLVPPTOITVDU-FQEVSTJZSA-N 1 0 470.618 2.943 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294940992 1062727168 /nfs/dbraw/zinc/72/71/68/1062727168.db2.gz VXSKXKLXWYYBQR-IEBWSBKVSA-N 1 0 456.591 2.504 20 0 JFADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001290847883 1062734369 /nfs/dbraw/zinc/73/43/69/1062734369.db2.gz JAJWOCHADKXKJS-DEOSSOPVSA-N 1 0 451.546 2.740 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287252977 1062735540 /nfs/dbraw/zinc/73/55/40/1062735540.db2.gz NLVAGOMGGWBQJF-RTWAWAEBSA-N 1 0 475.659 2.678 20 0 JFADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCO1 ZINC001287263981 1062738531 /nfs/dbraw/zinc/73/85/31/1062738531.db2.gz HWFHYHIZMSQKHP-ROUUACIJSA-N 1 0 453.530 2.709 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287262057 1062738627 /nfs/dbraw/zinc/73/86/27/1062738627.db2.gz LEHZEFBXWKPWQS-RBBKRZOGSA-N 1 0 454.619 2.895 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001287273859 1062746826 /nfs/dbraw/zinc/74/68/26/1062746826.db2.gz GJJCBYAQJFUNKN-MOPGFXCFSA-N 1 0 455.607 2.907 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC001290867708 1062750118 /nfs/dbraw/zinc/75/01/18/1062750118.db2.gz BYFRDABTBVLTQA-UHFFFAOYSA-N 1 0 453.727 2.841 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CC1 ZINC001290867846 1062750863 /nfs/dbraw/zinc/75/08/63/1062750863.db2.gz DOENWFJECMDKQO-JOCHJYFZSA-N 1 0 457.619 2.748 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290868487 1062751376 /nfs/dbraw/zinc/75/13/76/1062751376.db2.gz YVGFFDSPBJHXAC-JOCHJYFZSA-N 1 0 459.683 2.620 20 0 JFADRO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)cc1OC ZINC001294969610 1062752207 /nfs/dbraw/zinc/75/22/07/1062752207.db2.gz XIDDPLHUIKSJHO-UHFFFAOYSA-N 1 0 470.618 2.777 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C)CCS1 ZINC001287277194 1062753575 /nfs/dbraw/zinc/75/35/75/1062753575.db2.gz KSJDKZUUOJJCLM-LPHOPBHVSA-N 1 0 451.662 2.877 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290869612 1062753897 /nfs/dbraw/zinc/75/38/97/1062753897.db2.gz KFFZOYKJCKIXFJ-CEMLEFRQSA-N 1 0 459.683 2.524 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001287277497 1062754700 /nfs/dbraw/zinc/75/47/00/1062754700.db2.gz RKDWTUHTLHJWBU-FQEVSTJZSA-N 1 0 461.632 2.694 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001290870775 1062756759 /nfs/dbraw/zinc/75/67/59/1062756759.db2.gz XJEQXCQIWRYCQB-FQEVSTJZSA-N 1 0 459.683 2.668 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290870822 1062756837 /nfs/dbraw/zinc/75/68/37/1062756837.db2.gz YDBFUKWURKBGIH-URXFXBBRSA-N 1 0 467.662 2.535 20 0 JFADRO Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290872043 1062757512 /nfs/dbraw/zinc/75/75/12/1062757512.db2.gz PXVVLBCUIQEUGV-MOPGFXCFSA-N 1 0 465.568 2.870 20 0 JFADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001294974960 1062759659 /nfs/dbraw/zinc/75/96/59/1062759659.db2.gz WALYTUXWKFBZPI-FQEVSTJZSA-N 1 0 469.634 2.961 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCOc1cccc(Cl)c1 ZINC001290876290 1062760329 /nfs/dbraw/zinc/76/03/29/1062760329.db2.gz LVLVJCWUGYDSTM-JOCHJYFZSA-N 1 0 463.026 2.550 20 0 JFADRO CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294976867 1062760922 /nfs/dbraw/zinc/76/09/22/1062760922.db2.gz DMWLWUUTZAYTSZ-TZIWHRDSSA-N 1 0 469.634 2.767 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290878623 1062763260 /nfs/dbraw/zinc/76/32/60/1062763260.db2.gz IHHXBVARQFAYNB-JOCHJYFZSA-N 1 0 478.638 2.747 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001290879288 1062763429 /nfs/dbraw/zinc/76/34/29/1062763429.db2.gz OVEZISKZACDGKV-UHFFFAOYSA-N 1 0 492.665 2.995 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290887420 1062766231 /nfs/dbraw/zinc/76/62/31/1062766231.db2.gz FAWHIEFKMFEMQW-NHCUHLMSSA-N 1 0 479.000 2.900 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290887421 1062766439 /nfs/dbraw/zinc/76/64/39/1062766439.db2.gz FAWHIEFKMFEMQW-RTWAWAEBSA-N 1 0 479.000 2.900 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)CCO1 ZINC001287295646 1062767340 /nfs/dbraw/zinc/76/73/40/1062767340.db2.gz HSUHHWQCLIPAIL-HSZRJFAPSA-N 1 0 470.662 2.665 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287298454 1062770558 /nfs/dbraw/zinc/77/05/58/1062770558.db2.gz BXLBATFBNGEDMN-LNRXMEIDSA-N 1 0 463.667 2.905 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001287299064 1062772067 /nfs/dbraw/zinc/77/20/67/1062772067.db2.gz MKESZRSFCUWKJN-JXQFQVJHSA-N 1 0 494.706 2.995 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294986150 1062773015 /nfs/dbraw/zinc/77/30/15/1062773015.db2.gz CXHIVOZNUXXNJO-HXUWFJFHSA-N 1 0 485.633 2.822 20 0 JFADRO Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001290901540 1062773305 /nfs/dbraw/zinc/77/33/05/1062773305.db2.gz BSMIBPIMRWSCGU-IEBWSBKVSA-N 1 0 456.595 2.947 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001295001415 1062787239 /nfs/dbraw/zinc/78/72/39/1062787239.db2.gz ABCZALMTAQVMTP-UXHICEINSA-N 1 0 455.669 2.696 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001287318772 1062790362 /nfs/dbraw/zinc/79/03/62/1062790362.db2.gz FFRVUZAKBRDMND-QHCPKHFHSA-N 1 0 485.652 2.952 20 0 JFADRO Cc1noc(C)c1CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001290919227 1062794567 /nfs/dbraw/zinc/79/45/67/1062794567.db2.gz SUGKVAVTVHZWKT-UHFFFAOYSA-N 1 0 457.604 2.648 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001295008819 1062796204 /nfs/dbraw/zinc/79/62/04/1062796204.db2.gz PNWPGEMYBVBDES-BDTNDASRSA-N 1 0 479.666 2.898 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001287321409 1062797872 /nfs/dbraw/zinc/79/78/72/1062797872.db2.gz GQXILDDEDHNNBC-IOMROCGXSA-N 1 0 496.653 2.582 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001287321574 1062798735 /nfs/dbraw/zinc/79/87/35/1062798735.db2.gz JQVNKWFWGIYXKU-MSOLQXFVSA-N 1 0 469.055 2.983 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)[NH+](C)C ZINC001287327806 1062801798 /nfs/dbraw/zinc/80/17/98/1062801798.db2.gz BCQUEEQFSRJJOA-IBGZPJMESA-N 1 0 465.602 2.918 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287328506 1062802654 /nfs/dbraw/zinc/80/26/54/1062802654.db2.gz GZIRVMUFGSDFAJ-FYYLOGMGSA-N 1 0 478.645 2.598 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328561 1062802766 /nfs/dbraw/zinc/80/27/66/1062802766.db2.gz HSMIUHYGCRIQOY-FGZHOGPDSA-N 1 0 484.693 2.773 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328722 1062803292 /nfs/dbraw/zinc/80/32/92/1062803292.db2.gz LEZFTWGQHOHMBK-DHIUTWEWSA-N 1 0 498.720 2.783 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287329190 1062805393 /nfs/dbraw/zinc/80/53/93/1062805393.db2.gz RVBNJQOAEHNJAG-GOSISDBHSA-N 1 0 466.627 2.532 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001290930049 1062805322 /nfs/dbraw/zinc/80/53/22/1062805322.db2.gz YATZMBKJXUNAOW-IBGZPJMESA-N 1 0 464.636 2.688 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1)[NH+](C)C ZINC001287329527 1062805682 /nfs/dbraw/zinc/80/56/82/1062805682.db2.gz FRTVTPOQPHZBDY-FQEVSTJZSA-N 1 0 478.649 2.951 20 0 JFADRO CC(C)C[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[NH+](C)C ZINC001287329938 1062806665 /nfs/dbraw/zinc/80/66/65/1062806665.db2.gz IICFVIOTULVUPY-XJUOHMSHSA-N 1 0 473.710 2.758 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001287331369 1062808808 /nfs/dbraw/zinc/80/88/08/1062808808.db2.gz GDCNRDUYQMDFND-KSEOMHKRSA-N 1 0 496.722 2.589 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001287331605 1062809340 /nfs/dbraw/zinc/80/93/40/1062809340.db2.gz GQJGLOOQHAJIQJ-IBGZPJMESA-N 1 0 453.557 2.925 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001287333210 1062810322 /nfs/dbraw/zinc/81/03/22/1062810322.db2.gz MVNBBDOJMNFXQH-FYYLOGMGSA-N 1 0 483.661 2.519 20 0 JFADRO CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001287334542 1062812209 /nfs/dbraw/zinc/81/22/09/1062812209.db2.gz XLOALKHRYIMJST-QFIPXVFZSA-N 1 0 459.683 2.656 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287335653 1062813871 /nfs/dbraw/zinc/81/38/71/1062813871.db2.gz WESOWHMWPXVPNN-ZLNRFVROSA-N 1 0 489.686 2.604 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287335655 1062814100 /nfs/dbraw/zinc/81/41/00/1062814100.db2.gz WESOWHMWPXVPNN-ZRBLBEILSA-N 1 0 489.686 2.604 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001287335707 1062814158 /nfs/dbraw/zinc/81/41/58/1062814158.db2.gz WLANFIITJBFOSV-WOJBJXKFSA-N 1 0 491.658 2.564 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1)[NH+](C)C ZINC001287335987 1062814670 /nfs/dbraw/zinc/81/46/70/1062814670.db2.gz YSSKFUMBBQBTOT-ILWGZMRPSA-N 1 0 498.738 2.992 20 0 JFADRO CC(C)C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001287339460 1062817748 /nfs/dbraw/zinc/81/77/48/1062817748.db2.gz VZTYTNHWMCUJRX-SFHVURJKSA-N 1 0 483.642 2.909 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001290944602 1062818611 /nfs/dbraw/zinc/81/86/11/1062818611.db2.gz SJKZDWIUTMOUJP-VQTJNVASSA-N 1 0 472.638 2.860 20 0 JFADRO Cc1noc(C2(C)CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001290944683 1062819409 /nfs/dbraw/zinc/81/94/09/1062819409.db2.gz VFEYWAIHTUZPRA-SFHVURJKSA-N 1 0 458.611 2.598 20 0 JFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC001295020228 1062820530 /nfs/dbraw/zinc/82/05/30/1062820530.db2.gz QUYDUKMCXXTZBG-VXKWHMMOSA-N 1 0 451.633 2.523 20 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CC(C)Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287397362 1062841711 /nfs/dbraw/zinc/84/17/11/1062841711.db2.gz ZMCHSTUTUMCDTJ-HXUWFJFHSA-N 1 0 462.683 2.701 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001295044921 1062843615 /nfs/dbraw/zinc/84/36/15/1062843615.db2.gz DUNVKJXPINBWIV-UYAOXDASSA-N 1 0 462.639 2.960 20 0 JFADRO Cc1cc(CN2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970420 1062844543 /nfs/dbraw/zinc/84/45/43/1062844543.db2.gz QUCNZWQIHCWINA-RTWAWAEBSA-N 1 0 459.639 2.767 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001287403581 1062846329 /nfs/dbraw/zinc/84/63/29/1062846329.db2.gz OBTJWRHKXXWLPK-GAJHUEQPSA-N 1 0 473.647 2.656 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001287403584 1062846729 /nfs/dbraw/zinc/84/67/29/1062846729.db2.gz OBTJWRHKXXWLPK-UZUQRXQVSA-N 1 0 473.647 2.656 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCc1cnn(C)n1 ZINC001287412394 1062851384 /nfs/dbraw/zinc/85/13/84/1062851384.db2.gz FSOBVSHGWDOIGC-BGYRXZFFSA-N 1 0 458.655 2.564 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001290976234 1062855647 /nfs/dbraw/zinc/85/56/47/1062855647.db2.gz OMEREPJKSJYHQA-YOEHRIQHSA-N 1 0 490.406 2.609 20 0 JFADRO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001295052606 1062855691 /nfs/dbraw/zinc/85/56/91/1062855691.db2.gz BUSURYUEVOMWMW-RBUKOAKNSA-N 1 0 455.607 2.544 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001290976739 1062858452 /nfs/dbraw/zinc/85/84/52/1062858452.db2.gz UJYZKXBPFUWWQH-VFNWGFHPSA-N 1 0 493.475 2.812 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001290976741 1062858561 /nfs/dbraw/zinc/85/85/61/1062858561.db2.gz UJYZKXBPFUWWQH-YCRPNKLZSA-N 1 0 493.475 2.812 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287420246 1062859630 /nfs/dbraw/zinc/85/96/30/1062859630.db2.gz IAPHRCUDHMMFMS-OAQYLSRUSA-N 1 0 468.646 2.844 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287421226 1062861720 /nfs/dbraw/zinc/86/17/20/1062861720.db2.gz NJGBFTNYJBTZHA-UHFFFAOYSA-N 1 0 468.646 2.986 20 0 JFADRO CC(C)Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001287425340 1062863556 /nfs/dbraw/zinc/86/35/56/1062863556.db2.gz HTOBGRKOKUGQQM-SFHVURJKSA-N 1 0 455.607 2.503 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001295057545 1062864019 /nfs/dbraw/zinc/86/40/19/1062864019.db2.gz CJRSVOHQFYQLLD-LJQANCHMSA-N 1 0 486.617 2.514 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001290984885 1062869870 /nfs/dbraw/zinc/86/98/70/1062869870.db2.gz BVXGMVDHHKXZGU-FUHWJXTLSA-N 1 0 456.522 2.559 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287442358 1062875991 /nfs/dbraw/zinc/87/59/91/1062875991.db2.gz HRQZMJCXYFXJPC-NHCUHLMSSA-N 1 0 462.683 2.824 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001295062270 1062876088 /nfs/dbraw/zinc/87/60/88/1062876088.db2.gz JHBNLUFVKPLWPC-UHFFFAOYSA-N 1 0 458.607 2.654 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287445496 1062879718 /nfs/dbraw/zinc/87/97/18/1062879718.db2.gz AUIPWUIEDIDNCS-SFTDATJTSA-N 1 0 489.709 2.550 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001290996265 1062887842 /nfs/dbraw/zinc/88/78/42/1062887842.db2.gz CLVLCJLZHPMBGV-SBHAEUEKSA-N 1 0 487.693 2.727 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001295068019 1062888041 /nfs/dbraw/zinc/88/80/41/1062888041.db2.gz YLVJAAZTKYRALF-UHFFFAOYSA-N 1 0 456.591 2.505 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001290998196 1062890763 /nfs/dbraw/zinc/89/07/63/1062890763.db2.gz GMPUBCZFIMQMIA-SVFBPWRDSA-N 1 0 496.722 2.746 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001290998697 1062892296 /nfs/dbraw/zinc/89/22/96/1062892296.db2.gz PPVUPEAVSZLGIH-UFYCRDLUSA-N 1 0 489.690 2.567 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001290999225 1062893725 /nfs/dbraw/zinc/89/37/25/1062893725.db2.gz JPZAUTKRVYDSAR-WOJBJXKFSA-N 1 0 495.672 2.892 20 0 JFADRO C[C@@H]1C[C@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001290999195 1062893890 /nfs/dbraw/zinc/89/38/90/1062893890.db2.gz JLIMMZHMFJMWAJ-MDOVXXIYSA-N 1 0 451.413 2.595 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000677 1062896348 /nfs/dbraw/zinc/89/63/48/1062896348.db2.gz 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/nfs/dbraw/zinc/90/29/54/1062902954.db2.gz OIYSWAIVPOMNCS-IBGZPJMESA-N 1 0 490.599 2.686 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001287463404 1062905529 /nfs/dbraw/zinc/90/55/29/1062905529.db2.gz ZBDZMZMUIZAAJZ-UHFFFAOYSA-N 1 0 481.689 2.994 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009352 1062906380 /nfs/dbraw/zinc/90/63/80/1062906380.db2.gz DPZQRBAJQRNQHR-HCXYKTFWSA-N 1 0 472.725 2.588 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291009706 1062907613 /nfs/dbraw/zinc/90/76/13/1062907613.db2.gz JPJBIXLFTLWBKU-YPCDYVTLSA-N 1 0 490.693 2.949 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001287464934 1062909795 /nfs/dbraw/zinc/90/97/95/1062909795.db2.gz TXWDZLWCZBXODW-QPPBQGQZSA-N 1 0 460.667 2.672 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291010848 1062910071 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1062912345 /nfs/dbraw/zinc/91/23/45/1062912345.db2.gz MRKCOOQXYGEFQL-FGZHOGPDSA-N 1 0 473.710 2.778 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)CC2)C1 ZINC001291011778 1062913102 /nfs/dbraw/zinc/91/31/02/1062913102.db2.gz PNHAWTCYSGGFDB-RTBURBONSA-N 1 0 492.715 2.596 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001287466118 1062914092 /nfs/dbraw/zinc/91/40/92/1062914092.db2.gz WHBGJYBVMLBMHU-NZQKXSOJSA-N 1 0 467.662 2.569 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291011875 1062914190 /nfs/dbraw/zinc/91/41/90/1062914190.db2.gz QWNWQWXIKIFEFE-KCZVDYSFSA-N 1 0 474.675 2.645 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291012577 1062917110 /nfs/dbraw/zinc/91/71/10/1062917110.db2.gz BEGMMZNOVUSKQE-QZTJIDSGSA-N 1 0 483.082 2.952 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001291013071 1062918857 /nfs/dbraw/zinc/91/88/57/1062918857.db2.gz INKZISFIQTXIEJ-SFTDATJTSA-N 1 0 468.650 2.798 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291013211 1062920271 /nfs/dbraw/zinc/92/02/71/1062920271.db2.gz KBZMUUVUGPTGBL-OALUTQOASA-N 1 0 487.674 2.780 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291013594 1062920946 /nfs/dbraw/zinc/92/09/46/1062920946.db2.gz PCBYGBUWBUCGGD-RTBURBONSA-N 1 0 460.648 2.722 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291014147 1062923090 /nfs/dbraw/zinc/92/30/90/1062923090.db2.gz XZWQJJNUFSGDHC-ZCNNSNEGSA-N 1 0 454.610 2.927 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001291014894 1062924508 /nfs/dbraw/zinc/92/45/08/1062924508.db2.gz JUKWRQVNCXVRCE-SZPZYZBQSA-N 1 0 499.679 2.586 20 0 JFADRO CN1CC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@@H]1c1ccc(F)cc1 ZINC001295094942 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1062939069 /nfs/dbraw/zinc/93/90/69/1062939069.db2.gz TZCOGYNJZZQTEI-XMMPIXPASA-N 1 0 497.688 2.737 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)c1 ZINC001295126022 1062939923 /nfs/dbraw/zinc/93/99/23/1062939923.db2.gz CICRWWUWKNPHEM-HSZRJFAPSA-N 1 0 468.646 2.977 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001291022730 1062941952 /nfs/dbraw/zinc/94/19/52/1062941952.db2.gz KXAOQIMLTGVQSM-QRVBRYPASA-N 1 0 482.695 2.547 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)c1 ZINC001295126374 1062941987 /nfs/dbraw/zinc/94/19/87/1062941987.db2.gz DZLKYNABPNCMDD-LJQANCHMSA-N 1 0 474.656 2.773 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001287486180 1062942300 /nfs/dbraw/zinc/94/23/00/1062942300.db2.gz HPIPDSAJJDQFQA-ACRUOGEOSA-N 1 0 468.712 2.705 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C3CC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC001295126647 1062943087 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ZINC001295193550 1063013662 /nfs/dbraw/zinc/01/36/62/1063013662.db2.gz IQTFEDPGAKEXFM-FPOVZHCZSA-N 1 0 460.648 2.782 20 0 JFADRO CC(C)CCOc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC(=O)N(C)C)cc1 ZINC001287636387 1063015772 /nfs/dbraw/zinc/01/57/72/1063015772.db2.gz OXMUMGMYXIZVFO-UHFFFAOYSA-N 1 0 484.645 2.759 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N(C)CCN3CCOCC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291068771 1063016802 /nfs/dbraw/zinc/01/68/02/1063016802.db2.gz RXPQGRRQRGDKPV-RCXJIHSJSA-N 1 0 492.709 2.598 20 0 JFADRO C[C@H]1CCC[C@@](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)([NH+](C)C)C1 ZINC001291069116 1063017925 /nfs/dbraw/zinc/01/79/25/1063017925.db2.gz XBBMQQAQURQVOX-NBGIEHNGSA-N 1 0 487.718 2.651 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C(N)=O)C2)([NH+](C)C)C1 ZINC001291069113 1063018087 /nfs/dbraw/zinc/01/80/87/1063018087.db2.gz XAWKGPRXWNJIJZ-XVTZWQNCSA-N 1 0 460.573 2.969 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291069644 1063018429 /nfs/dbraw/zinc/01/84/29/1063018429.db2.gz CYPWPJWBJDUFEP-MBOZVWFJSA-N 1 0 452.669 2.778 20 0 JFADRO CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295215890 1063029005 /nfs/dbraw/zinc/02/90/05/1063029005.db2.gz BIXIKGUVRZFRHJ-ZWKOTPCHSA-N 1 0 481.613 2.892 20 0 JFADRO CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@H](C1CC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295218282 1063035608 /nfs/dbraw/zinc/03/56/08/1063035608.db2.gz PVBRVUSPVJPFPP-OXJNMPFZSA-N 1 0 467.586 2.501 20 0 JFADRO CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001287705881 1063043037 /nfs/dbraw/zinc/04/30/37/1063043037.db2.gz DYEINKNXHYGYMP-SFTDATJTSA-N 1 0 484.711 2.602 20 0 JFADRO CC(C)CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001287705879 1063043059 /nfs/dbraw/zinc/04/30/59/1063043059.db2.gz DYEINKNXHYGYMP-NHCUHLMSSA-N 1 0 484.711 2.602 20 0 JFADRO CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC[NH+](C)C)c1)C1CCCC1 ZINC001295221984 1063043099 /nfs/dbraw/zinc/04/30/99/1063043099.db2.gz YRUQSJBWRBPKTK-FQEVSTJZSA-N 1 0 475.659 2.938 20 0 JFADRO CCC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC001295222775 1063043137 /nfs/dbraw/zinc/04/31/37/1063043137.db2.gz CTPLHGXPTHNVAR-UXHICEINSA-N 1 0 454.409 2.976 20 0 JFADRO CCN(c1nnc(Cc2ccc(F)cc2)n1CC[NH+]1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295226773 1063047277 /nfs/dbraw/zinc/04/72/77/1063047277.db2.gz RVMDOKFLMAGZCC-NRFANRHFSA-N 1 0 463.623 2.897 20 0 JFADRO C[C@H]1CCCCN1C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001291095744 1063055218 /nfs/dbraw/zinc/05/52/18/1063055218.db2.gz RGAKFVMYXVQRPE-RBBKRZOGSA-N 1 0 473.710 2.730 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCCS(C)(=O)=O)C1 ZINC001291095894 1063055772 /nfs/dbraw/zinc/05/57/72/1063055772.db2.gz UXAXSAXLDDXHAS-PMACEKPBSA-N 1 0 462.664 2.809 20 0 JFADRO C[C@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001291095786 1063055816 /nfs/dbraw/zinc/05/58/16/1063055816.db2.gz SMPZPKUSIJZJGK-RGKFVRLKSA-N 1 0 462.639 2.742 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)C1 ZINC001291095967 1063056476 /nfs/dbraw/zinc/05/64/76/1063056476.db2.gz VXXNVLMPPDBCNM-WOJBJXKFSA-N 1 0 458.655 2.841 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096323 1063057123 /nfs/dbraw/zinc/05/71/23/1063057123.db2.gz BWRYXODSLGELMC-WOJBJXKFSA-N 1 0 468.712 2.897 20 0 JFADRO CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295236201 1063057254 /nfs/dbraw/zinc/05/72/54/1063057254.db2.gz HKKZTLJNFNWPBF-IEBWSBKVSA-N 1 0 451.662 2.676 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096889 1063058911 /nfs/dbraw/zinc/05/89/11/1063058911.db2.gz MLOIGNVNOVBHRR-IEBWSBKVSA-N 1 0 468.593 2.992 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736523 1063059727 /nfs/dbraw/zinc/05/97/27/1063059727.db2.gz ATYJWHNCRUKKIL-WCIQWLHISA-N 1 0 452.669 2.635 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001291097047 1063059749 /nfs/dbraw/zinc/05/97/49/1063059749.db2.gz PBJYNJPTPURHIJ-WOJBJXKFSA-N 1 0 488.681 2.514 20 0 JFADRO CCN(c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295240309 1063060080 /nfs/dbraw/zinc/06/00/80/1063060080.db2.gz NPZFTSZOHCGYOX-RBBKRZOGSA-N 1 0 459.660 2.809 20 0 JFADRO CCN(c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295240310 1063060208 /nfs/dbraw/zinc/06/02/08/1063060208.db2.gz NPZFTSZOHCGYOX-UNMCSNQZSA-N 1 0 459.660 2.809 20 0 JFADRO CCN(c1nnc(CCc2ccccc2)n1CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295240308 1063060430 /nfs/dbraw/zinc/06/04/30/1063060430.db2.gz NPZFTSZOHCGYOX-IRLDBZIGSA-N 1 0 459.660 2.809 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 ZINC001291097317 1063060463 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/nfs/dbraw/zinc/06/23/08/1063062308.db2.gz OGVQTSROPZBXTN-OALUTQOASA-N 1 0 454.685 2.700 20 0 JFADRO CCN(c1nnc(Cn2ccc3ccccc32)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295243897 1063063103 /nfs/dbraw/zinc/06/31/03/1063063103.db2.gz ICFZOPHOCCRXNO-FQEVSTJZSA-N 1 0 472.659 2.882 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001291098637 1063063208 /nfs/dbraw/zinc/06/32/08/1063063208.db2.gz RKJQSQCFJCGQTH-NHCUHLMSSA-N 1 0 474.675 2.975 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001291098968 1063063990 /nfs/dbraw/zinc/06/39/90/1063063990.db2.gz YVNKULSCCVBUBR-IBGZPJMESA-N 1 0 479.622 2.886 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001287739967 1063064170 /nfs/dbraw/zinc/06/41/70/1063064170.db2.gz BYQWMMOACFNWCA-SIKLNZKXSA-N 1 0 493.649 2.988 20 0 JFADRO CCN(c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295248965 1063066444 /nfs/dbraw/zinc/06/64/44/1063066444.db2.gz ALWUACFYYAXIOM-IRLDBZIGSA-N 1 0 475.659 2.828 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001287740798 1063066983 /nfs/dbraw/zinc/06/69/83/1063066983.db2.gz GYNNGDNXNYCGNI-JOCHJYFZSA-N 1 0 487.718 2.509 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(N3CCN([C@@H](C)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)C1 ZINC001287741651 1063067912 /nfs/dbraw/zinc/06/79/12/1063067912.db2.gz IWTIDBHACKYFAL-LEWJYISDSA-N 1 0 473.710 2.733 20 0 JFADRO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1=O ZINC001287741646 1063068155 /nfs/dbraw/zinc/06/81/55/1063068155.db2.gz NFTDLOIEVGLZBK-PMACEKPBSA-N 1 0 485.633 2.540 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287742065 1063068703 /nfs/dbraw/zinc/06/87/03/1063068703.db2.gz LRWGVMLORCUUHY-UYAOXDASSA-N 1 0 453.653 2.511 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001291100905 1063069100 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ZINC001291128647 1063164347 /nfs/dbraw/zinc/16/43/47/1063164347.db2.gz ACEDQVYSWVWLJJ-IEBWSBKVSA-N 1 0 479.551 2.501 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001291128675 1063165298 /nfs/dbraw/zinc/16/52/98/1063165298.db2.gz AQSKQNKHWDWGMS-AQNXPRMDSA-N 1 0 462.639 2.960 20 0 JFADRO C[C@H]1CCC[N@H+](CCn2c(Cc3ccsc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291129052 1063168655 /nfs/dbraw/zinc/16/86/55/1063168655.db2.gz HTVDBHRNYMZCIP-KRWDZBQOSA-N 1 0 451.662 2.676 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291129346 1063170026 /nfs/dbraw/zinc/17/00/26/1063170026.db2.gz MQLVYIUHRZFSFD-DLBZAZTESA-N 1 0 469.602 2.748 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cn2ccc3ccccc32)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291129494 1063172222 /nfs/dbraw/zinc/17/22/22/1063172222.db2.gz OYLGKPOMRYUUNA-VQTJNVASSA-N 1 0 472.659 2.882 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291129945 1063174687 /nfs/dbraw/zinc/17/46/87/1063174687.db2.gz XNURJKDXWMCSOB-OALUTQOASA-N 1 0 491.681 2.825 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291131172 1063179028 /nfs/dbraw/zinc/17/90/28/1063179028.db2.gz WPZIWLPWBQSYTO-UAFMIMERSA-N 1 0 469.696 2.798 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291136391 1063191945 /nfs/dbraw/zinc/19/19/45/1063191945.db2.gz VVHUBUMWQVTVCK-QGZVFWFLSA-N 1 0 474.009 2.727 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291136566 1063193457 /nfs/dbraw/zinc/19/34/57/1063193457.db2.gz ZLMSKSNQRHWTNG-ROUUACIJSA-N 1 0 484.605 2.513 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291136890 1063194368 /nfs/dbraw/zinc/19/43/68/1063194368.db2.gz GOFRNWCWUMSHEQ-INIZCTEOSA-N 1 0 499.056 2.988 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001291137367 1063195636 /nfs/dbraw/zinc/19/56/36/1063195636.db2.gz PGPLIRWNHXVDBE-ZWKOTPCHSA-N 1 0 458.611 2.609 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291137604 1063197785 /nfs/dbraw/zinc/19/77/85/1063197785.db2.gz TZOAOUAGVGDHEQ-ROUUACIJSA-N 1 0 456.595 2.665 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291138473 1063200007 /nfs/dbraw/zinc/20/00/07/1063200007.db2.gz KETMWVXGZSBFBH-SFHVURJKSA-N 1 0 495.093 2.867 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291138960 1063201467 /nfs/dbraw/zinc/20/14/67/1063201467.db2.gz UCKXZUJFFJKXKX-IRXDYDNUSA-N 1 0 491.434 2.806 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291139214 1063202061 /nfs/dbraw/zinc/20/20/61/1063202061.db2.gz XYLKQVDAAACNAS-HNNXBMFYSA-N 1 0 477.038 2.777 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291139074 1063202328 /nfs/dbraw/zinc/20/23/28/1063202328.db2.gz VJPQJBUYWRRZKC-AZUAARDMSA-N 1 0 455.607 2.852 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140475 1063208771 /nfs/dbraw/zinc/20/87/71/1063208771.db2.gz ZFURNDJGBDIEOO-MSOLQXFVSA-N 1 0 450.628 2.790 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291140621 1063210312 /nfs/dbraw/zinc/21/03/12/1063210312.db2.gz BCOFRZBSZONLCX-AQNXPRMDSA-N 1 0 490.674 2.796 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140983 1063212916 /nfs/dbraw/zinc/21/29/16/1063212916.db2.gz HKMYUAPPGBJRRJ-LJQANCHMSA-N 1 0 462.639 2.659 20 0 JFADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291142145 1063218967 /nfs/dbraw/zinc/21/89/67/1063218967.db2.gz YWDRLEASWLTBPT-OALUTQOASA-N 1 0 485.599 2.707 20 0 JFADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F)[NH+]1CCC(C)CC1 ZINC001291142998 1063220649 /nfs/dbraw/zinc/22/06/49/1063220649.db2.gz PCAOCNHLHWSCDU-MSOLQXFVSA-N 1 0 466.581 2.786 20 0 JFADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F)[NH+]1CCC(C)CC1 ZINC001291143001 1063221122 /nfs/dbraw/zinc/22/11/22/1063221122.db2.gz PCAOCNHLHWSCDU-ZWKOTPCHSA-N 1 0 466.581 2.786 20 0 JFADRO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291143835 1063223814 /nfs/dbraw/zinc/22/38/14/1063223814.db2.gz DCPGGYVCZQBAEB-SFHVURJKSA-N 1 0 495.644 2.777 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001291144010 1063224422 /nfs/dbraw/zinc/22/44/22/1063224422.db2.gz HLKWCDNBLOPZHG-BHIFYINESA-N 1 0 460.667 2.891 20 0 JFADRO C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291144195 1063224780 /nfs/dbraw/zinc/22/47/80/1063224780.db2.gz KOKRGEBWQXNLHG-XMMPIXPASA-N 1 0 495.716 2.784 20 0 JFADRO C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCC(C)CC1 ZINC001291144525 1063226051 /nfs/dbraw/zinc/22/60/51/1063226051.db2.gz PMZWFOCDGNLFJP-WAOWUJCRSA-N 1 0 456.591 2.611 20 0 JFADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144584 1063226165 /nfs/dbraw/zinc/22/61/65/1063226165.db2.gz RAPYPPXZFJUTBX-AZUAARDMSA-N 1 0 463.623 2.752 20 0 JFADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144625 1063226976 /nfs/dbraw/zinc/22/69/76/1063226976.db2.gz RQJCOJXXAMSRNH-UNMCSNQZSA-N 1 0 474.675 2.788 20 0 JFADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291144780 1063227656 /nfs/dbraw/zinc/22/76/56/1063227656.db2.gz UVTZGXHDMGSWOI-MOPGFXCFSA-N 1 0 458.582 2.784 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001291145964 1063229638 /nfs/dbraw/zinc/22/96/38/1063229638.db2.gz TVVSRUFYFPKTAX-OAQYLSRUSA-N 1 0 495.672 2.920 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001291147531 1063233825 /nfs/dbraw/zinc/23/38/25/1063233825.db2.gz AASHNASUSVGHRZ-BRWVUGGUSA-N 1 0 452.650 2.633 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295334984 1063246259 /nfs/dbraw/zinc/24/62/59/1063246259.db2.gz KZZJGDCZLKETNN-QFIPXVFZSA-N 1 0 455.651 2.695 20 0 JFADRO C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291162075 1063246564 /nfs/dbraw/zinc/24/65/64/1063246564.db2.gz KTWNHSLDKKIKGM-HKUYNNGSSA-N 1 0 462.545 2.612 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295335417 1063251998 /nfs/dbraw/zinc/25/19/98/1063251998.db2.gz XGTNLIDOFBJGFE-JOCHJYFZSA-N 1 0 461.699 2.902 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295337100 1063262100 /nfs/dbraw/zinc/26/21/00/1063262100.db2.gz BAKCAKKRHHFDIG-QFIPXVFZSA-N 1 0 494.644 2.535 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001291174642 1063263047 /nfs/dbraw/zinc/26/30/47/1063263047.db2.gz RZGKWZXSMIBQBG-MSOLQXFVSA-N 1 0 460.648 2.740 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001291174643 1063263088 /nfs/dbraw/zinc/26/30/88/1063263088.db2.gz RZGKWZXSMIBQBG-QZTJIDSGSA-N 1 0 460.648 2.740 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295337514 1063263666 /nfs/dbraw/zinc/26/36/66/1063263666.db2.gz GZTLHOURJLYQPB-XZOQPEGZSA-N 1 0 489.709 2.632 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179817 1063269492 /nfs/dbraw/zinc/26/94/92/1063269492.db2.gz NQFHTFJYVUHCBS-UHFFFAOYSA-N 1 0 483.661 2.961 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC1(O)CCCCC1 ZINC001291180189 1063271403 /nfs/dbraw/zinc/27/14/03/1063271403.db2.gz WCXVRKOLPXHSRS-LEWJYISDSA-N 1 0 496.722 2.532 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(Cc4ccsc4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001291180175 1063271422 /nfs/dbraw/zinc/27/14/22/1063271422.db2.gz VYDQZTFLWHZIDA-NRFANRHFSA-N 1 0 494.731 2.818 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180227 1063271956 /nfs/dbraw/zinc/27/19/56/1063271956.db2.gz XFNFPGSHIBYDOW-MSOLQXFVSA-N 1 0 476.638 2.882 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001291180593 1063273022 /nfs/dbraw/zinc/27/30/22/1063273022.db2.gz HERRYCAQTRVZJZ-FSSWDIPSSA-N 1 0 496.722 2.748 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001291181150 1063273525 /nfs/dbraw/zinc/27/35/25/1063273525.db2.gz ZCJBFRZLNIDNSQ-IBGZPJMESA-N 1 0 485.599 2.816 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3ccccc3F)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001291180737 1063273545 /nfs/dbraw/zinc/27/35/45/1063273545.db2.gz LLYKFHJPOOVKBV-UHFFFAOYSA-N 1 0 485.652 2.807 20 0 JFADRO CC1CC[NH+](CCCCn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001291181096 1063273620 /nfs/dbraw/zinc/27/36/20/1063273620.db2.gz XXPKGOOFNAZBFU-UHFFFAOYSA-N 1 0 487.718 2.653 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181407 1063274615 /nfs/dbraw/zinc/27/46/15/1063274615.db2.gz HIDUSCCYOAFMGG-IRXDYDNUSA-N 1 0 460.545 2.694 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001291182345 1063277316 /nfs/dbraw/zinc/27/73/16/1063277316.db2.gz KRTSCRADLINELM-SFHVURJKSA-N 1 0 466.556 2.930 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2CCC(C)CC2)CCOC1 ZINC001291182988 1063279054 /nfs/dbraw/zinc/27/90/54/1063279054.db2.gz CHBABTKSQSAMCM-RUZDIDTESA-N 1 0 476.666 2.533 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(O)(Cc3ccc(F)cc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183028 1063279125 /nfs/dbraw/zinc/27/91/25/1063279125.db2.gz DBXIOMRJYGSHKR-UHFFFAOYSA-N 1 0 486.636 2.861 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CC[NH+]1CCC(C)CC1 ZINC001291183827 1063281455 /nfs/dbraw/zinc/28/14/55/1063281455.db2.gz GEEYJCYPZGRNTC-FQEVSTJZSA-N 1 0 482.695 2.550 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001291184188 1063282334 /nfs/dbraw/zinc/28/23/34/1063282334.db2.gz QSDBGZZAHJEKLL-MHECFPHRSA-N 1 0 458.582 2.991 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001291184176 1063282563 /nfs/dbraw/zinc/28/25/63/1063282563.db2.gz QEYDCBIDLAKPFI-QGZVFWFLSA-N 1 0 462.545 2.945 20 0 JFADRO CC(C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291184406 1063282759 /nfs/dbraw/zinc/28/27/59/1063282759.db2.gz YZWBMILKLFVPFF-UHFFFAOYSA-N 1 0 455.607 2.675 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295345775 1063285128 /nfs/dbraw/zinc/28/51/28/1063285128.db2.gz LGXFEJSMAPSRGR-NRFANRHFSA-N 1 0 470.666 2.988 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001291185244 1063285252 /nfs/dbraw/zinc/28/52/52/1063285252.db2.gz XPWRSMDNFFXALI-NRFANRHFSA-N 1 0 470.618 2.873 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185477 1063285680 /nfs/dbraw/zinc/28/56/80/1063285680.db2.gz GFBUGWGPVMUFPA-SANMLTNESA-N 1 0 490.693 2.745 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185476 1063285728 /nfs/dbraw/zinc/28/57/28/1063285728.db2.gz GFBUGWGPVMUFPA-AREMUKBSSA-N 1 0 490.693 2.745 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001291185789 1063286952 /nfs/dbraw/zinc/28/69/52/1063286952.db2.gz QBLGHMRXKWIUPZ-JOCHJYFZSA-N 1 0 453.635 2.737 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295346336 1063287189 /nfs/dbraw/zinc/28/71/89/1063287189.db2.gz VKUAVUJQHPGUIX-WOJBJXKFSA-N 1 0 456.639 2.977 20 0 JFADRO CC(C)OC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001291185819 1063287462 /nfs/dbraw/zinc/28/74/62/1063287462.db2.gz QNECABSKOAQEPL-WIOPSUGQSA-N 1 0 479.666 2.681 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291186059 1063288071 /nfs/dbraw/zinc/28/80/71/1063288071.db2.gz YAAAOHPTJCMOMG-RUZDIDTESA-N 1 0 476.666 2.533 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@@H](C)O1 ZINC001291186139 1063288663 /nfs/dbraw/zinc/28/86/63/1063288663.db2.gz AMQFIXZOENCJRV-RCCFBDPRSA-N 1 0 458.582 2.639 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@@H](C)O1 ZINC001291186294 1063289179 /nfs/dbraw/zinc/28/91/79/1063289179.db2.gz CNDXTSMPYGCJIT-QZTJIDSGSA-N 1 0 459.639 2.960 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2cnccn2)C[C@@H](C)O1 ZINC001291186403 1063291092 /nfs/dbraw/zinc/29/10/92/1063291092.db2.gz DTDKRYNDJWUEEW-RTBURBONSA-N 1 0 450.591 2.697 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186642 1063292026 /nfs/dbraw/zinc/29/20/26/1063292026.db2.gz IAPXBYLGCXCBFW-OALUTQOASA-N 1 0 469.634 2.710 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291187022 1063294031 /nfs/dbraw/zinc/29/40/31/1063294031.db2.gz NWQIUYFUIOGHPH-SFTDATJTSA-N 1 0 483.661 2.923 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295350574 1063295730 /nfs/dbraw/zinc/29/57/30/1063295730.db2.gz FSIUJELGFGLWHR-FCHUYYIVSA-N 1 0 475.682 2.878 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C[C@@H](C)O1 ZINC001291187775 1063298179 /nfs/dbraw/zinc/29/81/79/1063298179.db2.gz ZGJNYHYKEQVXOB-VAMGGRTRSA-N 1 0 496.722 2.589 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295351944 1063298988 /nfs/dbraw/zinc/29/89/88/1063298988.db2.gz TZXNYIDWDMXHRC-VXKWHMMOSA-N 1 0 469.634 2.669 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188183 1063301476 /nfs/dbraw/zinc/30/14/76/1063301476.db2.gz GLZBABSNCWRBFI-IYBDPMFKSA-N 1 0 468.597 2.956 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001291188378 1063303207 /nfs/dbraw/zinc/30/32/07/1063303207.db2.gz JAVALPGNZYAKLX-OALUTQOASA-N 1 0 498.738 2.520 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@H](C)O1 ZINC001291188490 1063303875 /nfs/dbraw/zinc/30/38/75/1063303875.db2.gz LEWZQAXKPUMPLG-GBESFXJTSA-N 1 0 488.608 2.551 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCC(N4CCCNC4=O)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188883 1063306001 /nfs/dbraw/zinc/30/60/01/1063306001.db2.gz RZFVLEJKJFZIKL-KDURUIRLSA-N 1 0 475.682 2.848 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291189236 1063307629 /nfs/dbraw/zinc/30/76/29/1063307629.db2.gz XRLLQTLRKGXNKO-PMACEKPBSA-N 1 0 468.646 2.653 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCCC3=O)C2)C[C@@H](C)O1 ZINC001291189248 1063308161 /nfs/dbraw/zinc/30/81/61/1063308161.db2.gz YCIRROMZBCUHTC-AQNXPRMDSA-N 1 0 460.667 2.956 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCC2CCOCC2)C[C@H](C)O1 ZINC001291189259 1063308194 /nfs/dbraw/zinc/30/81/94/1063308194.db2.gz YHNPTSBLJRCLSN-PMACEKPBSA-N 1 0 476.666 2.541 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001295355546 1063309375 /nfs/dbraw/zinc/30/93/75/1063309375.db2.gz MVFYOLMVBCPTCE-OAQYLSRUSA-N 1 0 461.655 2.632 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001295356200 1063311437 /nfs/dbraw/zinc/31/14/37/1063311437.db2.gz ROPGZGLYHWLNNN-SFTDATJTSA-N 1 0 463.671 2.560 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295356139 1063311638 /nfs/dbraw/zinc/31/16/38/1063311638.db2.gz ZHLGUTOYSPPZSI-IBGZPJMESA-N 1 0 466.634 2.884 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001295358629 1063315374 /nfs/dbraw/zinc/31/53/74/1063315374.db2.gz KYFBVUGVYQLPPN-QFIPXVFZSA-N 1 0 495.672 2.905 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001295359037 1063318521 /nfs/dbraw/zinc/31/85/21/1063318521.db2.gz UDBZFROUNZFANE-AEFFLSMTSA-N 1 0 477.009 2.591 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 ZINC001295359799 1063320861 /nfs/dbraw/zinc/32/08/61/1063320861.db2.gz BEBSHAIIJUEUIC-HXUWFJFHSA-N 1 0 479.629 2.827 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001295361326 1063323196 /nfs/dbraw/zinc/32/31/96/1063323196.db2.gz KVWOSSVZUXMQTF-UWVAXJGDSA-N 1 0 499.081 2.850 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001295365282 1063327281 /nfs/dbraw/zinc/32/72/81/1063327281.db2.gz GHRCBXIRQYETDV-SFHVURJKSA-N 1 0 498.607 2.948 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001295366250 1063329588 /nfs/dbraw/zinc/32/95/88/1063329588.db2.gz RFLUCFDFBBCAEA-XTWGIRIWSA-N 1 0 494.648 2.535 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295369298 1063334315 /nfs/dbraw/zinc/33/43/15/1063334315.db2.gz CMABGKFYJBIAAH-WZONZLPQSA-N 1 0 461.632 2.699 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001295369795 1063335246 /nfs/dbraw/zinc/33/52/46/1063335246.db2.gz KEGQEUAKFMGACC-ZWKOTPCHSA-N 1 0 453.595 2.645 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291197238 1063342071 /nfs/dbraw/zinc/34/20/71/1063342071.db2.gz ADSDTOMCYYXBRU-MOPGFXCFSA-N 1 0 496.616 2.537 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295373674 1063342063 /nfs/dbraw/zinc/34/20/63/1063342063.db2.gz RSONWXFTLOEEDO-SFTDATJTSA-N 1 0 468.650 2.961 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC(C)(C)[C@H]1C ZINC001295373928 1063342537 /nfs/dbraw/zinc/34/25/37/1063342537.db2.gz UGXSLFLZZVYEIA-ZWKOTPCHSA-N 1 0 467.618 2.926 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)CC1 ZINC001295374271 1063342971 /nfs/dbraw/zinc/34/29/71/1063342971.db2.gz WEFLLGAETWMEBC-FQEVSTJZSA-N 1 0 453.635 2.936 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001295376060 1063344089 /nfs/dbraw/zinc/34/40/89/1063344089.db2.gz IROFFEYGGQGLOY-IRXDYDNUSA-N 1 0 464.552 2.925 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)OC)CC1 ZINC001295375926 1063344162 /nfs/dbraw/zinc/34/41/62/1063344162.db2.gz GJYGIOISKDBLDB-IBGZPJMESA-N 1 0 484.649 2.572 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001295376188 1063344713 /nfs/dbraw/zinc/34/47/13/1063344713.db2.gz KHUVZAAFHLNSGX-GOSISDBHSA-N 1 0 454.685 2.916 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295377484 1063346831 /nfs/dbraw/zinc/34/68/31/1063346831.db2.gz UTRHURCPJOMCDM-HCXYKTFWSA-N 1 0 477.654 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295377485 1063346920 /nfs/dbraw/zinc/34/69/20/1063346920.db2.gz UTRHURCPJOMCDM-MKXGPGLRSA-N 1 0 477.654 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001295378256 1063347684 /nfs/dbraw/zinc/34/76/84/1063347684.db2.gz ZFTPPVYYPWYSHS-QYZOEREBSA-N 1 0 461.611 2.987 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291198579 1063349795 /nfs/dbraw/zinc/34/97/95/1063349795.db2.gz YXWRUOBJRCDTIS-MOPGFXCFSA-N 1 0 498.632 2.761 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379518 1063351002 /nfs/dbraw/zinc/35/10/02/1063351002.db2.gz MJYBHCFMUOYBRW-RBUKOAKNSA-N 1 0 467.680 2.839 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380025 1063352391 /nfs/dbraw/zinc/35/23/91/1063352391.db2.gz OFWPWKOPPVKTMQ-ZWKOTPCHSA-N 1 0 496.628 2.515 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001295383313 1063356064 /nfs/dbraw/zinc/35/60/64/1063356064.db2.gz AQKVDWSDZDZVFX-PLXFJCCSSA-N 1 0 495.716 2.782 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295383415 1063356468 /nfs/dbraw/zinc/35/64/68/1063356468.db2.gz BGBXMJASSPQPBT-QFIPXVFZSA-N 1 0 478.645 2.832 20 0 JFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001295383649 1063356979 /nfs/dbraw/zinc/35/69/79/1063356979.db2.gz DKPFCINQCXERAQ-HNNXBMFYSA-N 1 0 459.182 2.590 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001295383767 1063357028 /nfs/dbraw/zinc/35/70/28/1063357028.db2.gz COVVZGJLULBFBH-OALUTQOASA-N 1 0 490.674 2.774 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001291201825 1063358061 /nfs/dbraw/zinc/35/80/61/1063358061.db2.gz BPNKRQXAGIRQDX-IBGZPJMESA-N 1 0 474.675 2.865 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001295384041 1063358642 /nfs/dbraw/zinc/35/86/42/1063358642.db2.gz DSDRGYBKJNQSBV-RTWAWAEBSA-N 1 0 452.607 2.923 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2nc(C)no2)CC1 ZINC001295384246 1063359161 /nfs/dbraw/zinc/35/91/61/1063359161.db2.gz FVPMYBCURQPJHE-GOSISDBHSA-N 1 0 455.611 2.945 20 0 JFADRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001295384266 1063359177 /nfs/dbraw/zinc/35/91/77/1063359177.db2.gz IQNNGHBOYSFFGP-HNNXBMFYSA-N 1 0 453.768 2.962 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295385574 1063361470 /nfs/dbraw/zinc/36/14/70/1063361470.db2.gz MZXHIVBWJKJYEB-PZJWPPBQSA-N 1 0 463.648 2.828 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295386495 1063362289 /nfs/dbraw/zinc/36/22/89/1063362289.db2.gz VAEIOBRHAGIHNY-NRFANRHFSA-N 1 0 495.672 2.838 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001295386327 1063362453 /nfs/dbraw/zinc/36/24/53/1063362453.db2.gz ANZRGLRYBVRYQE-IBGZPJMESA-N 1 0 452.607 2.613 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295388061 1063365473 /nfs/dbraw/zinc/36/54/73/1063365473.db2.gz IFUWMMNSWDAZTC-RLLQIKCJSA-N 1 0 456.591 2.543 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001295388806 1063366006 /nfs/dbraw/zinc/36/60/06/1063366006.db2.gz KGTKCEYUASJBMQ-IRLDBZIGSA-N 1 0 463.634 2.889 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001291206091 1063367666 /nfs/dbraw/zinc/36/76/66/1063367666.db2.gz RYZFQMKFLDAQKS-SFHLNBCPSA-N 1 0 490.674 2.729 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001295389901 1063368253 /nfs/dbraw/zinc/36/82/53/1063368253.db2.gz IKUGFLGTSBSHRQ-FUHWJXTLSA-N 1 0 462.599 2.794 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001295390055 1063368796 /nfs/dbraw/zinc/36/87/96/1063368796.db2.gz KNNJDCIEVQSXCW-HXUWFJFHSA-N 1 0 476.691 2.958 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291206620 1063369982 /nfs/dbraw/zinc/36/99/82/1063369982.db2.gz ZCQTTWFMBPZOID-IRXDYDNUSA-N 1 0 452.669 2.635 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390649 1063370761 /nfs/dbraw/zinc/37/07/61/1063370761.db2.gz RVMXZOPDNBEKLD-NQIIRXRSSA-N 1 0 476.588 2.733 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001295390804 1063371576 /nfs/dbraw/zinc/37/15/76/1063371576.db2.gz AYRNRJCCKDYIES-DOTOQJQBSA-N 1 0 460.545 2.755 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccco1 ZINC001295391033 1063372988 /nfs/dbraw/zinc/37/29/88/1063372988.db2.gz DFDRSDAFRSTZNH-LJQANCHMSA-N 1 0 487.649 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001295391112 1063373578 /nfs/dbraw/zinc/37/35/78/1063373578.db2.gz UZPOEPUZZLQGEF-RNHFSVANSA-N 1 0 473.618 2.980 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccsc1 ZINC001295391190 1063374331 /nfs/dbraw/zinc/37/43/31/1063374331.db2.gz DRJAKQTZCYCXPE-QUCCMNQESA-N 1 0 487.674 2.621 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295391643 1063374957 /nfs/dbraw/zinc/37/49/57/1063374957.db2.gz GOZRYVFIHDENRI-HXUWFJFHSA-N 1 0 487.649 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001295392984 1063377883 /nfs/dbraw/zinc/37/78/83/1063377883.db2.gz NUTXPWVGDZRJQK-PPIORRCLSA-N 1 0 475.609 2.969 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1)c1ccsc1 ZINC001295393007 1063377907 /nfs/dbraw/zinc/37/79/07/1063377907.db2.gz OBNNVKCOBGAYTE-NRYAXDJKSA-N 1 0 490.674 2.945 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)c1ccsc1 ZINC001295393004 1063377945 /nfs/dbraw/zinc/37/79/45/1063377945.db2.gz OBNNVKCOBGAYTE-DRMXPCRNSA-N 1 0 490.674 2.945 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccco1 ZINC001295393020 1063378660 /nfs/dbraw/zinc/37/86/60/1063378660.db2.gz OEZLJFHVZPYAAR-NRFANRHFSA-N 1 0 499.660 2.931 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395902 1063382217 /nfs/dbraw/zinc/38/22/17/1063382217.db2.gz ANCLUWGDDZHVMG-DYESRHJHSA-N 1 0 459.664 2.520 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1)c1ccsc1 ZINC001295397373 1063383732 /nfs/dbraw/zinc/38/37/32/1063383732.db2.gz MHKGAXVVKARXIP-OAQYLSRUSA-N 1 0 485.658 2.723 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccsc1 ZINC001295397492 1063384179 /nfs/dbraw/zinc/38/41/79/1063384179.db2.gz OAFSEKJMRMBRBS-HMXCVIKNSA-N 1 0 484.626 2.845 20 0 JFADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291209861 1063385330 /nfs/dbraw/zinc/38/53/30/1063385330.db2.gz SHLDRGZQPQNZKK-HLIPFELVSA-N 1 0 477.451 2.815 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001295402454 1063387456 /nfs/dbraw/zinc/38/74/56/1063387456.db2.gz AVIXANWYSRTZGC-NRFANRHFSA-N 1 0 456.635 2.954 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1)c1ccco1 ZINC001295403096 1063388214 /nfs/dbraw/zinc/38/82/14/1063388214.db2.gz BZBRRLUDAXUOJY-IBGZPJMESA-N 1 0 499.641 2.614 20 0 JFADRO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC001295404084 1063389619 /nfs/dbraw/zinc/38/96/19/1063389619.db2.gz QKUQOMPPDXCJFK-RUZDIDTESA-N 1 0 456.587 2.577 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001291211432 1063393866 /nfs/dbraw/zinc/39/38/66/1063393866.db2.gz URTHPZKQXLLPAR-KRWDZBQOSA-N 1 0 495.466 2.897 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)cn3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001291211433 1063394033 /nfs/dbraw/zinc/39/40/33/1063394033.db2.gz URTHPZKQXLLPAR-QGZVFWFLSA-N 1 0 495.466 2.897 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001291211698 1063395840 /nfs/dbraw/zinc/39/58/40/1063395840.db2.gz ZIRCDOPLLUIHFB-SCLBCKFNSA-N 1 0 455.426 2.698 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407057 1063397565 /nfs/dbraw/zinc/39/75/65/1063397565.db2.gz PBCQIEDHCBPEDO-AZUAARDMSA-N 1 0 459.595 2.657 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccco1 ZINC001295407711 1063399701 /nfs/dbraw/zinc/39/97/01/1063399701.db2.gz XOXVYFWFBBMZDI-SFTDATJTSA-N 1 0 458.607 2.953 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001295408364 1063401944 /nfs/dbraw/zinc/40/19/44/1063401944.db2.gz ZJMMXZZPOZYJRR-GOTSBHOMSA-N 1 0 482.654 2.970 20 0 JFADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@H+](C)C1CC1 ZINC001291213340 1063404301 /nfs/dbraw/zinc/40/43/01/1063404301.db2.gz DEDLHYGPBZXJSP-QZTJIDSGSA-N 1 0 490.674 2.682 20 0 JFADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291217038 1063436786 /nfs/dbraw/zinc/43/67/86/1063436786.db2.gz VCOVWPBYTDZPMI-HLIPFELVSA-N 1 0 477.451 2.815 20 0 JFADRO C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)CC1 ZINC001295454331 1063458899 /nfs/dbraw/zinc/45/88/99/1063458899.db2.gz QAYPFSCHRIOEPM-SFHVURJKSA-N 1 0 451.409 2.971 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2F)CC1 ZINC001295462630 1063462754 /nfs/dbraw/zinc/46/27/54/1063462754.db2.gz DSVVOJXQXOQKSB-HNNXBMFYSA-N 1 0 470.590 2.525 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CC1 ZINC001295464233 1063465810 /nfs/dbraw/zinc/46/58/10/1063465810.db2.gz YRABFDHLEAFTRL-IBGZPJMESA-N 1 0 456.639 2.809 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)N(C)C)CC1 ZINC001295464313 1063466616 /nfs/dbraw/zinc/46/66/16/1063466616.db2.gz BFVUTFQZNMJAFU-UHFFFAOYSA-N 1 0 458.607 2.751 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)CC1 ZINC001295464267 1063466712 /nfs/dbraw/zinc/46/67/12/1063466712.db2.gz ZMJRYHDSPAJMJH-KRWDZBQOSA-N 1 0 467.611 2.912 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001295464450 1063467590 /nfs/dbraw/zinc/46/75/90/1063467590.db2.gz GNBRCLDTTQOKQL-UHFFFAOYSA-N 1 0 467.662 2.728 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(=O)(=O)CC)CC1 ZINC001295465423 1063470284 /nfs/dbraw/zinc/47/02/84/1063470284.db2.gz LYTOAXHMRBZQRO-UHFFFAOYSA-N 1 0 474.631 2.941 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCSC2)CC1 ZINC001295466875 1063472768 /nfs/dbraw/zinc/47/27/68/1063472768.db2.gz YUDBXXSUORQULF-HSZRJFAPSA-N 1 0 493.699 2.527 20 0 JFADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291226211 1063472807 /nfs/dbraw/zinc/47/28/07/1063472807.db2.gz FAPGSXTWSFKVJQ-UWVAXJGDSA-N 1 0 477.451 2.815 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCOCC[NH+](C)C)CCN1CC(F)(F)F ZINC001291228456 1063478343 /nfs/dbraw/zinc/47/83/43/1063478343.db2.gz SCZFGPHLYGRVQQ-INIZCTEOSA-N 1 0 458.504 2.735 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNS(C)(=O)=O)CC1 ZINC001295472994 1063478635 /nfs/dbraw/zinc/47/86/35/1063478635.db2.gz SSPMLOLPIVYRLF-UHFFFAOYSA-N 1 0 487.674 2.687 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2occc2C)CC1 ZINC001295473645 1063479495 /nfs/dbraw/zinc/47/94/95/1063479495.db2.gz SIWTXNGHRNZUNA-LJQANCHMSA-N 1 0 458.607 2.814 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(COC)CCC2)CC1 ZINC001295474065 1063480449 /nfs/dbraw/zinc/48/04/49/1063480449.db2.gz YPZUCYHKLXDAIT-IBGZPJMESA-N 1 0 467.680 2.698 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001295474016 1063480458 /nfs/dbraw/zinc/48/04/58/1063480458.db2.gz XRJISPIBPVKOEK-RTWAWAEBSA-N 1 0 486.636 2.966 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001295475313 1063484575 /nfs/dbraw/zinc/48/45/75/1063484575.db2.gz RSQGSVJMVCJKHS-UHFFFAOYSA-N 1 0 495.653 2.727 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001295475501 1063485737 /nfs/dbraw/zinc/48/57/37/1063485737.db2.gz WVVFIXMVAOBNBL-UHFFFAOYSA-N 1 0 478.645 2.858 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccccc2OC2CCCC2)CC1 ZINC001295479570 1063488327 /nfs/dbraw/zinc/48/83/27/1063488327.db2.gz FGVMNFAQHWUGGF-UHFFFAOYSA-N 1 0 454.619 2.947 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC001295479743 1063489483 /nfs/dbraw/zinc/48/94/83/1063489483.db2.gz INUGFWBWCQBLPM-UHFFFAOYSA-N 1 0 495.672 2.563 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001295479982 1063489539 /nfs/dbraw/zinc/48/95/39/1063489539.db2.gz JGQOMQONONIRML-HXUWFJFHSA-N 1 0 496.660 2.742 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001295481319 1063492614 /nfs/dbraw/zinc/49/26/14/1063492614.db2.gz VGGXNQCWMPINTF-NSXLHWASSA-N 1 0 461.607 2.813 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(OC)cc2OC)CC1 ZINC001295481279 1063492717 /nfs/dbraw/zinc/49/27/17/1063492717.db2.gz SXAJWPKVAXVNST-UHFFFAOYSA-N 1 0 486.661 2.826 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCC[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001291233329 1063493844 /nfs/dbraw/zinc/49/38/44/1063493844.db2.gz BHCWNRGILMPTOJ-LJQANCHMSA-N 1 0 473.622 2.831 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001291233361 1063495030 /nfs/dbraw/zinc/49/50/30/1063495030.db2.gz BLTSNOWNQCBPSR-WBVHZDCISA-N 1 0 456.513 2.665 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001295482213 1063497860 /nfs/dbraw/zinc/49/78/60/1063497860.db2.gz GGHNGJXENGFKLG-GOSISDBHSA-N 1 0 461.561 2.766 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001291234928 1063497893 /nfs/dbraw/zinc/49/78/93/1063497893.db2.gz FTCPWNSNEMVDCP-QGZVFWFLSA-N 1 0 458.611 2.609 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCc2c(F)cccc2F)CC1 ZINC001295482294 1063498944 /nfs/dbraw/zinc/49/89/44/1063498944.db2.gz IOEYKQKURJFYQA-UHFFFAOYSA-N 1 0 483.567 2.851 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCCCO2)CC1 ZINC001295482316 1063499906 /nfs/dbraw/zinc/49/99/06/1063499906.db2.gz JTVZMXVRSDABKD-LJQANCHMSA-N 1 0 476.025 2.553 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[C@@H]2OC)CC1 ZINC001295482363 1063500503 /nfs/dbraw/zinc/50/05/03/1063500503.db2.gz LLTBXGJVPPANKE-UNMCSNQZSA-N 1 0 484.645 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2cc(F)ccc2F)CC1 ZINC001295482372 1063500540 /nfs/dbraw/zinc/50/05/40/1063500540.db2.gz LVOZMLRLZLPOKT-UHFFFAOYSA-N 1 0 469.540 2.657 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCCO1 ZINC001291236322 1063500647 /nfs/dbraw/zinc/50/06/47/1063500647.db2.gz CKKIUECDQGBLHZ-IBGZPJMESA-N 1 0 451.575 2.729 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237117 1063501988 /nfs/dbraw/zinc/50/19/88/1063501988.db2.gz RMQCUHFHIMSJTH-IEBWSBKVSA-N 1 0 470.622 2.959 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001295482566 1063502229 /nfs/dbraw/zinc/50/22/29/1063502229.db2.gz TWTCDDKSIWURBH-UHFFFAOYSA-N 1 0 499.566 2.688 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295482594 1063502803 /nfs/dbraw/zinc/50/28/03/1063502803.db2.gz UOUIUJZLXIONNC-HHHXNRCGSA-N 1 0 491.640 2.628 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237462 1063503095 /nfs/dbraw/zinc/50/30/95/1063503095.db2.gz XNWMFDIHLKHAAD-AEFFLSMTSA-N 1 0 466.556 2.928 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291237736 1063503533 /nfs/dbraw/zinc/50/35/33/1063503533.db2.gz CJQITTLOAWRVEK-AOIWGVFYSA-N 1 0 456.595 2.569 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001295482620 1063503613 /nfs/dbraw/zinc/50/36/13/1063503613.db2.gz VJDNDJLTFQIXLH-SFHVURJKSA-N 1 0 482.658 2.899 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2cccc(C)c2)CC1 ZINC001295482983 1063505857 /nfs/dbraw/zinc/50/58/57/1063505857.db2.gz ADEIOMGQBXQATR-NRFANRHFSA-N 1 0 492.628 2.501 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291238572 1063507238 /nfs/dbraw/zinc/50/72/38/1063507238.db2.gz SKRMPHTZYKCBIE-AZUAARDMSA-N 1 0 470.622 2.961 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001295483459 1063507647 /nfs/dbraw/zinc/50/76/47/1063507647.db2.gz FLXUWZAQLMBCQU-IBGZPJMESA-N 1 0 474.679 2.503 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccc2OC)CC1 ZINC001295484287 1063509846 /nfs/dbraw/zinc/50/98/46/1063509846.db2.gz KZEBNOHKTCGFQT-UHFFFAOYSA-N 1 0 465.602 2.515 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2CCC(OC)CC2)CC1 ZINC001295484411 1063511201 /nfs/dbraw/zinc/51/12/01/1063511201.db2.gz NEMXXIZMUYYUHI-OOMBGRCJSA-N 1 0 490.693 2.758 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001295484736 1063513306 /nfs/dbraw/zinc/51/33/06/1063513306.db2.gz QWWUDWKJCDYEQR-UHFFFAOYSA-N 1 0 458.582 2.732 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCCC2=O)CC1 ZINC001295485029 1063513725 /nfs/dbraw/zinc/51/37/25/1063513725.db2.gz CPLDLTMPHYBKPU-UHFFFAOYSA-N 1 0 453.635 2.977 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001295485852 1063514973 /nfs/dbraw/zinc/51/49/73/1063514973.db2.gz ZCMILKSKSVZCLI-LJQANCHMSA-N 1 0 493.027 2.808 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001295486063 1063515189 /nfs/dbraw/zinc/51/51/89/1063515189.db2.gz FLTZHZBPDWCGQA-SFHVURJKSA-N 1 0 463.623 2.753 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001295487352 1063516128 /nfs/dbraw/zinc/51/61/28/1063516128.db2.gz KCJGUXDWQLLOOM-OAQYLSRUSA-N 1 0 495.594 2.838 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001295490514 1063516679 /nfs/dbraw/zinc/51/66/79/1063516679.db2.gz UBSHLXIWYQKNFU-XMMPIXPASA-N 1 0 469.678 2.931 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001295490901 1063519304 /nfs/dbraw/zinc/51/93/04/1063519304.db2.gz IMQCMSDLYSROAY-UHFFFAOYSA-N 1 0 481.567 2.843 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCCCC2)CC1 ZINC001295491017 1063520742 /nfs/dbraw/zinc/52/07/42/1063520742.db2.gz MVGCGONFPZGWEY-UHFFFAOYSA-N 1 0 482.673 2.863 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)nc2)CC1 ZINC001295491338 1063522272 /nfs/dbraw/zinc/52/22/72/1063522272.db2.gz SQMGJBFQEBKPBS-UHFFFAOYSA-N 1 0 453.635 2.753 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)C)CC1 ZINC001295491275 1063522474 /nfs/dbraw/zinc/52/24/74/1063522474.db2.gz RDCQLFQBOSETNF-UHFFFAOYSA-N 1 0 451.619 2.997 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CC=CCO2)CC1 ZINC001295491253 1063522567 /nfs/dbraw/zinc/52/25/67/1063522567.db2.gz RAALRSSADFJFNF-HSZRJFAPSA-N 1 0 496.656 2.809 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001295491617 1063523661 /nfs/dbraw/zinc/52/36/61/1063523661.db2.gz WGEQUPHPTSYXEM-IBGZPJMESA-N 1 0 496.685 2.823 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249343 1063525667 /nfs/dbraw/zinc/52/56/67/1063525667.db2.gz CXDRPMCFOIVWAV-HBMCJLEFSA-N 1 0 460.667 2.987 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC001295492682 1063526268 /nfs/dbraw/zinc/52/62/68/1063526268.db2.gz FIGZELBDJIFERE-FQEVSTJZSA-N 1 0 456.616 2.787 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(=O)NC)C2)c1 ZINC001295493342 1063527295 /nfs/dbraw/zinc/52/72/95/1063527295.db2.gz NXZGTBXJSGYSNQ-NRFANRHFSA-N 1 0 464.618 2.531 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)C[C@H]2C)cc1 ZINC001295493353 1063527484 /nfs/dbraw/zinc/52/74/84/1063527484.db2.gz HWMFIZGYJJSZKX-LJQANCHMSA-N 1 0 462.602 2.682 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@@H]32)c1 ZINC001295493637 1063527817 /nfs/dbraw/zinc/52/78/17/1063527817.db2.gz TYMLMTWTORRPOL-YYWHXJBOSA-N 1 0 460.648 2.767 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(C)C)C2)cc1 ZINC001295494175 1063528885 /nfs/dbraw/zinc/52/88/85/1063528885.db2.gz LQSCUIRTHHSXDZ-GOTSBHOMSA-N 1 0 489.686 2.932 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCC(OC)CC2)CC1 ZINC001295494481 1063529476 /nfs/dbraw/zinc/52/94/76/1063529476.db2.gz PSSCZKBGBASCGT-LZBANZJXSA-N 1 0 476.666 2.715 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC001295494725 1063530459 /nfs/dbraw/zinc/53/04/59/1063530459.db2.gz UQCRRYANNOSMCG-QHCPKHFHSA-N 1 0 454.619 2.777 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2nncn2C)cc1 ZINC001295495189 1063531410 /nfs/dbraw/zinc/53/14/10/1063531410.db2.gz ZRAQUXDSPOZNHC-OAQYLSRUSA-N 1 0 479.633 2.776 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251491 1063532335 /nfs/dbraw/zinc/53/23/35/1063532335.db2.gz IIDXSRQJOJDUJW-RBUKOAKNSA-N 1 0 482.695 2.960 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnc(C)s2)C1 ZINC001295502955 1063537538 /nfs/dbraw/zinc/53/75/38/1063537538.db2.gz IGQUYKIKWFEDEX-KRWDZBQOSA-N 1 0 454.604 2.907 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 ZINC001295503274 1063538501 /nfs/dbraw/zinc/53/85/01/1063538501.db2.gz KSQRQEKRMYALSS-PMACEKPBSA-N 1 0 488.608 2.584 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001295503921 1063539477 /nfs/dbraw/zinc/53/94/77/1063539477.db2.gz PUZIVFRIQJESJR-QFIPXVFZSA-N 1 0 462.602 2.730 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC)C1 ZINC001295504785 1063540748 /nfs/dbraw/zinc/54/07/48/1063540748.db2.gz WOADJYBJTAPDDS-IBGZPJMESA-N 1 0 470.618 2.748 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255532 1063544191 /nfs/dbraw/zinc/54/41/91/1063544191.db2.gz JKQODOOABUYMBR-NJYVYQBISA-N 1 0 492.665 2.932 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001295509849 1063544877 /nfs/dbraw/zinc/54/48/77/1063544877.db2.gz WNVGPPOFAFLGJE-RBUKOAKNSA-N 1 0 461.632 2.557 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001295514567 1063548535 /nfs/dbraw/zinc/54/85/35/1063548535.db2.gz AOQFCGGTKIRKNG-RBUKOAKNSA-N 1 0 450.628 2.865 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001295515029 1063549093 /nfs/dbraw/zinc/54/90/93/1063549093.db2.gz CYDRMROTPVLTMO-HKUYNNGSSA-N 1 0 458.573 2.977 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OC)C1 ZINC001295515708 1063549599 /nfs/dbraw/zinc/54/95/99/1063549599.db2.gz FIRKTBDAIAHJJP-SFHVURJKSA-N 1 0 477.679 2.831 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001295515711 1063549977 /nfs/dbraw/zinc/54/99/77/1063549977.db2.gz FJKAOKSONZHVAS-RBBKRZOGSA-N 1 0 454.619 2.700 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 ZINC001295516048 1063550443 /nfs/dbraw/zinc/55/04/43/1063550443.db2.gz FLGNOMGBCUWWGJ-QZTJIDSGSA-N 1 0 467.586 2.675 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001295516068 1063550933 /nfs/dbraw/zinc/55/09/33/1063550933.db2.gz IKJUPQZTAUMBFV-OALUTQOASA-N 1 0 485.599 2.672 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001295516192 1063551448 /nfs/dbraw/zinc/55/14/48/1063551448.db2.gz GDGXBHPZCBIXOG-SFTDATJTSA-N 1 0 490.674 2.579 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001295516519 1063553009 /nfs/dbraw/zinc/55/30/09/1063553009.db2.gz LTFUCCUEKTYRRL-FPOVZHCZSA-N 1 0 456.639 2.607 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001295516521 1063553020 /nfs/dbraw/zinc/55/30/20/1063553020.db2.gz LTFUCCUEKTYRRL-PZJWPPBQSA-N 1 0 456.639 2.607 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001295521299 1063558050 /nfs/dbraw/zinc/55/80/50/1063558050.db2.gz BALWQCULGGCQHV-UHFFFAOYSA-N 1 0 486.636 2.959 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001295522514 1063559144 /nfs/dbraw/zinc/55/91/44/1063559144.db2.gz KRUZEZFCBGHKOA-NRFANRHFSA-N 1 0 491.706 2.665 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291264516 1063563399 /nfs/dbraw/zinc/56/33/99/1063563399.db2.gz DMLLSGKASKXAOC-LJQANCHMSA-N 1 0 474.675 2.788 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CCCO1 ZINC001291264432 1063563432 /nfs/dbraw/zinc/56/34/32/1063563432.db2.gz CDSQWJDFZDZQRO-FQEVSTJZSA-N 1 0 450.587 2.868 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295525351 1063563582 /nfs/dbraw/zinc/56/35/82/1063563582.db2.gz VOPIZTNWUBDPGE-LJQANCHMSA-N 1 0 464.561 2.799 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCOCC1 ZINC001295525525 1063564157 /nfs/dbraw/zinc/56/41/57/1063564157.db2.gz XWLHQMWUFLYEOD-UHFFFAOYSA-N 1 0 463.652 2.505 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001295527594 1063565753 /nfs/dbraw/zinc/56/57/53/1063565753.db2.gz KDTFFHRQNMJFRH-SFHVURJKSA-N 1 0 466.989 2.811 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C ZINC001295528071 1063565791 /nfs/dbraw/zinc/56/57/91/1063565791.db2.gz PAMICKCLFUTJRX-FQEVSTJZSA-N 1 0 486.646 2.551 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295529171 1063566764 /nfs/dbraw/zinc/56/67/64/1063566764.db2.gz CGZIMCWEDAVOBJ-UHFFFAOYSA-N 1 0 452.607 2.746 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001295530842 1063567253 /nfs/dbraw/zinc/56/72/53/1063567253.db2.gz OULGNXZMVUWIJU-HXUWFJFHSA-N 1 0 453.595 2.514 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001295531806 1063568855 /nfs/dbraw/zinc/56/88/55/1063568855.db2.gz ZYVZOVNDDRAAAX-UHFFFAOYSA-N 1 0 470.618 2.753 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295532874 1063569757 /nfs/dbraw/zinc/56/97/57/1063569757.db2.gz MKXLMDZVUULASO-SFHVURJKSA-N 1 0 458.611 2.913 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001295533142 1063570172 /nfs/dbraw/zinc/57/01/72/1063570172.db2.gz RHYQKZBRQCNEFY-UHFFFAOYSA-N 1 0 456.639 2.639 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC001295533777 1063570669 /nfs/dbraw/zinc/57/06/69/1063570669.db2.gz ZCDVMPNJTUUMTI-OAQYLSRUSA-N 1 0 454.623 2.734 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295534054 1063571068 /nfs/dbraw/zinc/57/10/68/1063571068.db2.gz JBWOXOZXLIYZKZ-UXHICEINSA-N 1 0 480.654 2.982 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001295535086 1063572355 /nfs/dbraw/zinc/57/23/55/1063572355.db2.gz SSCFTYJNDNNGCA-RXVVDRJESA-N 1 0 467.618 2.785 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295535453 1063572391 /nfs/dbraw/zinc/57/23/91/1063572391.db2.gz VCKVRKAZLSMZFM-NRFANRHFSA-N 1 0 468.650 2.963 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001295535480 1063572503 /nfs/dbraw/zinc/57/25/03/1063572503.db2.gz WAQMFHJFPKOEEV-QFIPXVFZSA-N 1 0 453.635 2.592 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001295535761 1063572905 /nfs/dbraw/zinc/57/29/05/1063572905.db2.gz ZBFXQESSDUREKP-VXKWHMMOSA-N 1 0 473.710 2.904 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001295540943 1063575532 /nfs/dbraw/zinc/57/55/32/1063575532.db2.gz GDYXKCWZYSWTDX-LJQANCHMSA-N 1 0 491.681 2.791 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001295541280 1063576205 /nfs/dbraw/zinc/57/62/05/1063576205.db2.gz IQTLJLREYONYSD-NRFANRHFSA-N 1 0 492.665 2.744 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295541659 1063576634 /nfs/dbraw/zinc/57/66/34/1063576634.db2.gz NDNKKJUGHFHQNB-QFIPXVFZSA-N 1 0 454.619 2.866 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295541480 1063576736 /nfs/dbraw/zinc/57/67/36/1063576736.db2.gz LDFUAQXPRMSIIA-KRWDZBQOSA-N 1 0 455.575 2.827 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001295542123 1063577095 /nfs/dbraw/zinc/57/70/95/1063577095.db2.gz QSHWXUMTHJZBCJ-FQEVSTJZSA-N 1 0 450.628 2.819 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295543131 1063578153 /nfs/dbraw/zinc/57/81/53/1063578153.db2.gz XEKJTPWEZKAJFS-JOCHJYFZSA-N 1 0 470.618 2.827 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001295543074 1063578171 /nfs/dbraw/zinc/57/81/71/1063578171.db2.gz WFXNPVILQDZYFE-OALUTQOASA-N 1 0 493.678 2.803 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001295545651 1063580735 /nfs/dbraw/zinc/58/07/35/1063580735.db2.gz UYNWXGBFVMZFNG-SFHVURJKSA-N 1 0 483.617 2.956 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001295545883 1063580928 /nfs/dbraw/zinc/58/09/28/1063580928.db2.gz VIXYMYHKZBUBCB-MOPGFXCFSA-N 1 0 477.654 2.749 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001295546064 1063581344 /nfs/dbraw/zinc/58/13/44/1063581344.db2.gz WSMWLHWJLQUVIR-HXUWFJFHSA-N 1 0 479.629 2.827 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001295550117 1063582700 /nfs/dbraw/zinc/58/27/00/1063582700.db2.gz CXXBZHCWHHDSOU-IRLDBZIGSA-N 1 0 476.666 2.799 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001291275575 1063583774 /nfs/dbraw/zinc/58/37/74/1063583774.db2.gz VESMDYSMDWNDHM-DLBZAZTESA-N 1 0 472.556 2.821 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001295551199 1063584308 /nfs/dbraw/zinc/58/43/08/1063584308.db2.gz QRBALVRGSKFJOE-WOJBJXKFSA-N 1 0 475.682 2.623 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001295551373 1063584326 /nfs/dbraw/zinc/58/43/26/1063584326.db2.gz TZGZJERFPRBLSW-FQEVSTJZSA-N 1 0 493.674 2.721 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001291276563 1063586486 /nfs/dbraw/zinc/58/64/86/1063586486.db2.gz OBWHYVDHLVZRFW-HXUWFJFHSA-N 1 0 454.619 2.926 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295553730 1063587048 /nfs/dbraw/zinc/58/70/48/1063587048.db2.gz JWPVSQCXLYOUMG-WZONZLPQSA-N 1 0 461.632 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001295554299 1063588307 /nfs/dbraw/zinc/58/83/07/1063588307.db2.gz UNGNIJJAKUFDOI-GOSISDBHSA-N 1 0 462.042 2.539 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001291276868 1063588390 /nfs/dbraw/zinc/58/83/90/1063588390.db2.gz TWQBXCMQHKOWDV-PKOBYXMFSA-N 1 0 480.535 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001295554682 1063588864 /nfs/dbraw/zinc/58/88/64/1063588864.db2.gz ZTFXTJUGVSJZFX-GOSISDBHSA-N 1 0 499.660 2.517 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001295555083 1063589368 /nfs/dbraw/zinc/58/93/68/1063589368.db2.gz QGVBVMDXYMWMOY-SJLPKXTDSA-N 1 0 491.438 2.868 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001295555200 1063589887 /nfs/dbraw/zinc/58/98/87/1063589887.db2.gz VDDJBBUORKYYMN-VLIAUNLRSA-N 1 0 480.411 2.797 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001295559267 1063591885 /nfs/dbraw/zinc/59/18/85/1063591885.db2.gz DYCHBFHHYXHRQS-MJGOQNOKSA-N 1 0 480.617 2.677 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295559484 1063592433 /nfs/dbraw/zinc/59/24/33/1063592433.db2.gz IQANUSFVGIORPL-IAGOWNOFSA-N 1 0 489.621 2.840 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001295560699 1063593861 /nfs/dbraw/zinc/59/38/61/1063593861.db2.gz XPYGNTVDRQPPJS-APWZRJJASA-N 1 0 487.674 2.728 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001295560705 1063593898 /nfs/dbraw/zinc/59/38/98/1063593898.db2.gz MFMBKCKQZQQSLQ-GOSISDBHSA-N 1 0 470.597 2.883 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001295560904 1063594465 /nfs/dbraw/zinc/59/44/65/1063594465.db2.gz ZZNLGFXVDQHHMG-UTKZUKDTSA-N 1 0 485.608 2.628 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295562728 1063595463 /nfs/dbraw/zinc/59/54/63/1063595463.db2.gz DTJFSCNWTCELBR-XLIONFOSSA-N 1 0 457.598 2.779 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001295562897 1063596078 /nfs/dbraw/zinc/59/60/78/1063596078.db2.gz IMTCMMOBJTXWEL-AQNXPRMDSA-N 1 0 492.665 2.765 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295563501 1063597031 /nfs/dbraw/zinc/59/70/31/1063597031.db2.gz MLSHATXGUQVSRD-OPYAIIAOSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001295564222 1063597556 /nfs/dbraw/zinc/59/75/56/1063597556.db2.gz RZWYRVBMKYTYQR-RNHFSVANSA-N 1 0 492.665 2.934 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001295564369 1063597794 /nfs/dbraw/zinc/59/77/94/1063597794.db2.gz UVFLNUOTJHBFHN-LQWHRVPQSA-N 1 0 496.653 2.678 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1F ZINC001295564371 1063597875 /nfs/dbraw/zinc/59/78/75/1063597875.db2.gz UVFLNUOTJHBFHN-LVCYWYKZSA-N 1 0 496.653 2.678 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295564937 1063598407 /nfs/dbraw/zinc/59/84/07/1063598407.db2.gz FKUXTRXFUOGIFS-NJDAHSKKSA-N 1 0 461.655 2.832 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001295567254 1063601852 /nfs/dbraw/zinc/60/18/52/1063601852.db2.gz YUGDSEBOUWKCIF-OAGGEKHMSA-N 1 0 451.559 2.689 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C[C@]2(CCOC2)O1 ZINC001291280278 1063602540 /nfs/dbraw/zinc/60/25/40/1063602540.db2.gz CWTFIKJRUNIOCV-KOSHJBKYSA-N 1 0 461.582 2.968 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC001291280599 1063604163 /nfs/dbraw/zinc/60/41/63/1063604163.db2.gz JGPMJNOFGINWEB-HDICACEKSA-N 1 0 464.010 2.971 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001295569848 1063604224 /nfs/dbraw/zinc/60/42/24/1063604224.db2.gz HWSXQRJTFDKGRT-UXHICEINSA-N 1 0 456.591 2.845 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291281198 1063606343 /nfs/dbraw/zinc/60/63/43/1063606343.db2.gz RZBZZQBYSCLJAV-KDURUIRLSA-N 1 0 461.582 2.845 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295572100 1063609082 /nfs/dbraw/zinc/60/90/82/1063609082.db2.gz FYYOAQRKEQULBW-FCGDIQPGSA-N 1 0 455.669 2.550 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295573687 1063612181 /nfs/dbraw/zinc/61/21/81/1063612181.db2.gz ZZVYYBJTMAACBR-IYWMVGAKSA-N 1 0 469.696 2.940 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccn2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295578523 1063618163 /nfs/dbraw/zinc/61/81/63/1063618163.db2.gz KPPGHWQXDVEIJG-OAQYLSRUSA-N 1 0 493.656 2.980 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001295579587 1063621597 /nfs/dbraw/zinc/62/15/97/1063621597.db2.gz RSPHSFXCTUOECX-HXUWFJFHSA-N 1 0 462.545 2.646 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC(=O)N1C ZINC001291284002 1063622180 /nfs/dbraw/zinc/62/21/80/1063622180.db2.gz QYRKFLMYBPFXML-TWFHAPMSSA-N 1 0 458.607 2.760 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCC1 ZINC001295592972 1063637352 /nfs/dbraw/zinc/63/73/52/1063637352.db2.gz FMPYVNPKQQAYMT-QGZVFWFLSA-N 1 0 452.600 2.540 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287399 1063638759 /nfs/dbraw/zinc/63/87/59/1063638759.db2.gz AVDNALGDHLERBM-OAQYLSRUSA-N 1 0 454.619 2.865 20 0 JFADRO 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C[C@@H]1C[NH+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001291289543 1063657515 /nfs/dbraw/zinc/65/75/15/1063657515.db2.gz MBUHOKLVPIHYFU-RTBURBONSA-N 1 0 454.619 2.678 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 ZINC001291289873 1063659205 /nfs/dbraw/zinc/65/92/05/1063659205.db2.gz RHLDPJJMMXFBKN-FUHWJXTLSA-N 1 0 491.434 2.520 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291289779 1063659253 /nfs/dbraw/zinc/65/92/53/1063659253.db2.gz PTEMKRWYOASNAW-SCTDSRPQSA-N 1 0 461.010 2.800 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCCO1 ZINC001291289874 1063660516 /nfs/dbraw/zinc/66/05/16/1063660516.db2.gz RHLDPJJMMXFBKN-SJLPKXTDSA-N 1 0 491.434 2.520 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N2CCC(CCC(N)=O)CC2)C[C@@H](C)O1 ZINC001291289997 1063661480 /nfs/dbraw/zinc/66/14/80/1063661480.db2.gz STSHGSIUGVDHOK-WOJBJXKFSA-N 1 0 454.619 2.926 20 0 JFADRO 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CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295741437 1063749658 /nfs/dbraw/zinc/74/96/58/1063749658.db2.gz XVXVCCYLXRDOOT-RBBKRZOGSA-N 1 0 469.634 2.597 20 0 JFADRO C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCOC1(C)C ZINC001291319431 1063756809 /nfs/dbraw/zinc/75/68/09/1063756809.db2.gz ZIXCQHOVAIMGDT-PMACEKPBSA-N 1 0 467.680 2.840 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001295758996 1063762582 /nfs/dbraw/zinc/76/25/82/1063762582.db2.gz BEYQPGGYXCDPSR-RTBURBONSA-N 1 0 458.573 2.978 20 0 JFADRO C[C@@H]1OCC[C@@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291323125 1063768979 /nfs/dbraw/zinc/76/89/79/1063768979.db2.gz GPGISABSJJKBRK-NBGIEHNGSA-N 1 0 457.619 2.750 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001295766661 1063774937 /nfs/dbraw/zinc/77/49/37/1063774937.db2.gz MFNVCZGPBYACQE-LJQANCHMSA-N 1 0 499.626 2.985 20 0 JFADRO CCN(C[C@H]1COc2ccccc2O1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[NH+](CC)CC ZINC001295768038 1063777309 /nfs/dbraw/zinc/77/73/09/1063777309.db2.gz VMBAKRNBQHMQML-UXHICEINSA-N 1 0 470.618 2.911 20 0 JFADRO CCN(CCC1CC1)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295791251 1063789793 /nfs/dbraw/zinc/78/97/93/1063789793.db2.gz LEKLEPNUZLTZCP-HXUWFJFHSA-N 1 0 451.413 2.739 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001291335383 1063796215 /nfs/dbraw/zinc/79/62/15/1063796215.db2.gz PHHFKXWULHBEGB-RBBKRZOGSA-N 1 0 481.645 2.984 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001291335834 1063797349 /nfs/dbraw/zinc/79/73/49/1063797349.db2.gz YGOSGEYJDKVRBC-HXUWFJFHSA-N 1 0 475.682 2.956 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)CCOC)C1 ZINC001291336321 1063799392 /nfs/dbraw/zinc/79/93/92/1063799392.db2.gz GLAUAGXTPKOSKJ-IBGZPJMESA-N 1 0 493.450 2.781 20 0 JFADRO CCN(CCCn1c(C2CCC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)S(C)(=O)=O ZINC001295810329 1063805596 /nfs/dbraw/zinc/80/55/96/1063805596.db2.gz GWNBOUNLJUUHRV-UHFFFAOYSA-N 1 0 466.696 2.918 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC[NH+](CC)CC)C1 ZINC001291339379 1063812422 /nfs/dbraw/zinc/81/24/22/1063812422.db2.gz MNZYFOOFNKYMOZ-IBGZPJMESA-N 1 0 456.591 2.901 20 0 JFADRO CCN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295814702 1063816400 /nfs/dbraw/zinc/81/64/00/1063816400.db2.gz PWRTVTVXKRXVMW-UHFFFAOYSA-N 1 0 494.681 2.990 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001291340186 1063816443 /nfs/dbraw/zinc/81/64/43/1063816443.db2.gz DGKMVOPKFLXZJO-SLFFLAALSA-N 1 0 468.650 2.987 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001291340187 1063816468 /nfs/dbraw/zinc/81/64/68/1063816468.db2.gz DGKMVOPKFLXZJO-VAMGGRTRSA-N 1 0 468.650 2.987 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001291340772 1063818362 /nfs/dbraw/zinc/81/83/62/1063818362.db2.gz QQSQDNRTJQQEIE-OAQYLSRUSA-N 1 0 479.629 2.767 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1)C(C)C ZINC001295815577 1063818717 /nfs/dbraw/zinc/81/87/17/1063818717.db2.gz JKOYWBGTQDBFMO-VWLOTQADSA-N 1 0 454.619 2.996 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nccs1)CCC(F)(F)F ZINC001295816413 1063821846 /nfs/dbraw/zinc/82/18/46/1063821846.db2.gz WGOOLZPTKLWWEP-UHFFFAOYSA-N 1 0 459.542 2.881 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C[NH+](CC)CC)c2)C1 ZINC001291341517 1063821851 /nfs/dbraw/zinc/82/18/51/1063821851.db2.gz DXUJTPKOUYTBAF-FCHUYYIVSA-N 1 0 481.645 2.614 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001291341528 1063822541 /nfs/dbraw/zinc/82/25/41/1063822541.db2.gz FDBXTUHBUNFMIJ-FGZHOGPDSA-N 1 0 484.645 2.656 20 0 JFADRO CC[N@H+](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295819348 1063823434 /nfs/dbraw/zinc/82/34/34/1063823434.db2.gz KJPORMRRTKYLBV-HNNXBMFYSA-N 1 0 472.487 2.768 20 0 JFADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@]2(CC=CCC2)C1)C(C)C ZINC001295819005 1063823546 /nfs/dbraw/zinc/82/35/46/1063823546.db2.gz FMMJUZZUEJWUCI-KNQAVFIVSA-N 1 0 452.669 2.945 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C1CC1 ZINC001295820285 1063824628 /nfs/dbraw/zinc/82/46/28/1063824628.db2.gz ARMVPLJZJLFRPN-IBGZPJMESA-N 1 0 496.660 2.788 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295820585 1063825571 /nfs/dbraw/zinc/82/55/71/1063825571.db2.gz DXIICPMQJBXKHT-IEBWSBKVSA-N 1 0 498.632 2.759 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001291342658 1063826377 /nfs/dbraw/zinc/82/63/77/1063826377.db2.gz XUSCKUPWPTUETA-FSSWDIPSSA-N 1 0 481.645 2.590 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CNC(=O)C2)CC1)C(C)C ZINC001295821408 1063827443 /nfs/dbraw/zinc/82/74/43/1063827443.db2.gz ODUIYUSFWOXFLD-UHFFFAOYSA-N 1 0 481.645 2.984 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001291343245 1063828352 /nfs/dbraw/zinc/82/83/52/1063828352.db2.gz JDVGAUZPGFAUMC-NRSPTQNISA-N 1 0 458.582 2.719 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(NC(C)=O)CC1)C(C)C ZINC001295823442 1063829622 /nfs/dbraw/zinc/82/96/22/1063829622.db2.gz NXKLSUNMLRYKRH-UHFFFAOYSA-N 1 0 480.455 2.881 20 0 JFADRO CC[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)C(C)C ZINC001295823060 1063829658 /nfs/dbraw/zinc/82/96/58/1063829658.db2.gz JJQLDHRLTZQTTG-HXUWFJFHSA-N 1 0 493.450 2.779 20 0 JFADRO CC[N@H+](CCn1c(C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)CCC(F)(F)F ZINC001295822617 1063829700 /nfs/dbraw/zinc/82/97/00/1063829700.db2.gz CYOKJJCTSRAYPS-UHFFFAOYSA-N 1 0 452.525 2.884 20 0 JFADRO 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CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@H]1C ZINC001295827694 1063837885 /nfs/dbraw/zinc/83/78/85/1063837885.db2.gz DVUKSBVITBRUGW-QZTJIDSGSA-N 1 0 457.596 2.922 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001291345266 1063838407 /nfs/dbraw/zinc/83/84/07/1063838407.db2.gz SQMFGERFFNLRJO-HXUWFJFHSA-N 1 0 460.623 2.552 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)C(C)C ZINC001295828360 1063838592 /nfs/dbraw/zinc/83/85/92/1063838592.db2.gz XOEYFEWTTYJHGU-IEBWSBKVSA-N 1 0 494.434 2.798 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001295829333 1063841035 /nfs/dbraw/zinc/84/10/35/1063841035.db2.gz HOZYGTCGCAAIAY-JKSUJKDBSA-N 1 0 485.942 2.983 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001291345753 1063841284 /nfs/dbraw/zinc/84/12/84/1063841284.db2.gz CYXSOXSMISOHOV-DHIUTWEWSA-N 1 0 495.672 2.761 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC)[NH+]2CCCC2)C1 ZINC001291345769 1063841343 /nfs/dbraw/zinc/84/13/43/1063841343.db2.gz DCTPWDDAGVDEDF-RBUKOAKNSA-N 1 0 487.674 2.639 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1)C1CC1 ZINC001295829982 1063843286 /nfs/dbraw/zinc/84/32/86/1063843286.db2.gz NLASVDFYSBSZOF-SFHVURJKSA-N 1 0 467.401 2.687 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC(=O)NC)CC1)C(C)C ZINC001295830519 1063844741 /nfs/dbraw/zinc/84/47/41/1063844741.db2.gz OLOKSZXJWSOATD-UHFFFAOYSA-N 1 0 470.618 2.799 20 0 JFADRO CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833701 1063848743 /nfs/dbraw/zinc/84/87/43/1063848743.db2.gz BYTFNOGBGLZADV-RCZVLFRGSA-N 1 0 481.689 2.973 20 0 JFADRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001295836222 1063852355 /nfs/dbraw/zinc/85/23/55/1063852355.db2.gz POVLLKWCXRNBGD-UTKZUKDTSA-N 1 0 468.524 2.999 20 0 JFADRO 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CC[N@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C)CCC(F)(F)F ZINC001295858681 1063889735 /nfs/dbraw/zinc/88/97/35/1063889735.db2.gz BMNVVPBVYSJPNA-KRWDZBQOSA-N 1 0 467.540 2.595 20 0 JFADRO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](CC)CCC(F)(F)F)CC1=O ZINC001295860835 1063892606 /nfs/dbraw/zinc/89/26/06/1063892606.db2.gz MZUKLDRZYXMIHY-UHFFFAOYSA-N 1 0 487.596 2.967 20 0 JFADRO CC[N@H+](CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)CC1)C(C)C ZINC001295862826 1063894892 /nfs/dbraw/zinc/89/48/92/1063894892.db2.gz ROFJDHBJENSBCE-UHFFFAOYSA-N 1 0 453.591 2.969 20 0 JFADRO CC[C@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001291370773 1063896363 /nfs/dbraw/zinc/89/63/63/1063896363.db2.gz CSRDDSHDJJOPQI-RDGATRHJSA-N 1 0 456.635 2.939 20 0 JFADRO CC[N@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C ZINC001295865221 1063896563 /nfs/dbraw/zinc/89/65/63/1063896563.db2.gz GDTLUUXFZTUAKM-UHFFFAOYSA-N 1 0 494.644 2.791 20 0 JFADRO CC[N@H+](CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295865936 1063898975 /nfs/dbraw/zinc/89/89/75/1063898975.db2.gz QUDLEGBXYDNAEU-UHFFFAOYSA-N 1 0 458.607 2.655 20 0 JFADRO CC[N@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)C1CC1 ZINC001295866492 1063901338 /nfs/dbraw/zinc/90/13/38/1063901338.db2.gz YAZOVUNQZDLILR-INIZCTEOSA-N 1 0 491.434 2.771 20 0 JFADRO CC[N@H+](CCn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1)CCC(F)(F)F ZINC001295866590 1063901447 /nfs/dbraw/zinc/90/14/47/1063901447.db2.gz ZVIJTIKAONWNBK-UHFFFAOYSA-N 1 0 474.915 2.721 20 0 JFADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C)CCC(F)(F)F ZINC001295866811 1063901489 /nfs/dbraw/zinc/90/14/89/1063901489.db2.gz MQEGXXBWXKREGR-HNNXBMFYSA-N 1 0 474.553 2.769 20 0 JFADRO CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001295867559 1063902681 /nfs/dbraw/zinc/90/26/81/1063902681.db2.gz VIISKUVMIPHRBQ-RTBURBONSA-N 1 0 477.654 2.576 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)C(C)C ZINC001295868977 1063906267 /nfs/dbraw/zinc/90/62/67/1063906267.db2.gz DXNWOQKXCRTPAB-ROUUACIJSA-N 1 0 465.643 2.781 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1)C1CC1 ZINC001295869119 1063906390 /nfs/dbraw/zinc/90/63/90/1063906390.db2.gz JJLWBJHYQXWRSY-NRFANRHFSA-N 1 0 491.681 2.603 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1)C1CC1 ZINC001295869296 1063906935 /nfs/dbraw/zinc/90/69/35/1063906935.db2.gz LZEPLYNZXZWYDJ-FQEVSTJZSA-N 1 0 475.638 2.503 20 0 JFADRO CC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1nccs1 ZINC001291376807 1063907148 /nfs/dbraw/zinc/90/71/48/1063907148.db2.gz CLUZOTZYHHSTAU-DEOSSOPVSA-N 1 0 469.659 2.897 20 0 JFADRO COc1ccc(CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@H](CO)C(C)C)cc1 ZINC001295871736 1063908951 /nfs/dbraw/zinc/90/89/51/1063908951.db2.gz PSCASOHBMVUBGV-HSZRJFAPSA-N 1 0 454.571 2.971 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Br)n1C[C@@H](C)[NH+](C)C ZINC001295877122 1063917605 /nfs/dbraw/zinc/91/76/05/1063917605.db2.gz FRIPXRXDICBMCR-CQSZACIVSA-N 1 0 458.426 2.529 20 0 JFADRO CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001291381326 1063920088 /nfs/dbraw/zinc/92/00/88/1063920088.db2.gz GYJLAMUBGZYAEF-LEDOBFOHSA-N 1 0 463.648 2.589 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001291381929 1063921316 /nfs/dbraw/zinc/92/13/16/1063921316.db2.gz OXTPLZIXHBRLPV-NBGIEHNGSA-N 1 0 456.635 2.844 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001295880418 1063924795 /nfs/dbraw/zinc/92/47/95/1063924795.db2.gz BOLHYNIOYXSXCU-VQTJNVASSA-N 1 0 455.669 2.759 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CCN2C1=O ZINC001295888735 1063939477 /nfs/dbraw/zinc/93/94/77/1063939477.db2.gz WYQSWNMCOKERJI-UXHICEINSA-N 1 0 467.618 2.660 20 0 JFADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291389535 1063939674 /nfs/dbraw/zinc/93/96/74/1063939674.db2.gz MRVFQDDQZHRKMO-KBMIEXCESA-N 1 0 474.625 2.872 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)CCN2C1=O ZINC001295890418 1063941351 /nfs/dbraw/zinc/94/13/51/1063941351.db2.gz NNSKCPQYUZYGFH-SFTDATJTSA-N 1 0 497.644 2.848 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc([C@H](C)Oc4cccc(C)c4C)n3CC[N@H+](C)C(C)C)CCN2C1=O ZINC001295890415 1063941372 /nfs/dbraw/zinc/94/13/72/1063941372.db2.gz NNSKCPQYUZYGFH-LEWJYISDSA-N 1 0 497.644 2.848 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(COc4cc(C)cc(C)c4)n3CC[N@H+](CC)C(C)C)CCN2C1=O ZINC001295892613 1063944741 /nfs/dbraw/zinc/94/47/41/1063944741.db2.gz GXXZIZSTPYTMNL-QFIPXVFZSA-N 1 0 497.644 2.677 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CCO2)cn1 ZINC001295896877 1063950587 /nfs/dbraw/zinc/95/05/87/1063950587.db2.gz NTXRIRJRMOZNNV-WOJBJXKFSA-N 1 0 486.646 2.575 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291396315 1063951519 /nfs/dbraw/zinc/95/15/19/1063951519.db2.gz WLYOJHBGRQCCJV-AIFLQVKLSA-N 1 0 460.667 2.975 20 0 JFADRO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC001295900868 1063954060 /nfs/dbraw/zinc/95/40/60/1063954060.db2.gz CTPLRBJESKQYBV-LJQANCHMSA-N 1 0 464.618 2.716 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001291397456 1063954031 /nfs/dbraw/zinc/95/40/31/1063954031.db2.gz KPYGRCXARNBYRE-MCEYFSPLSA-N 1 0 478.726 2.895 20 0 JFADRO CCn1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC001295902897 1063957718 /nfs/dbraw/zinc/95/77/18/1063957718.db2.gz WALRDKGJAUMOFK-JOCHJYFZSA-N 1 0 464.618 2.978 20 0 JFADRO CC[C@@H](C)[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291399326 1063958423 /nfs/dbraw/zinc/95/84/23/1063958423.db2.gz JPOOMOFLBPZRIP-NLFFAJNJSA-N 1 0 466.634 2.507 20 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ZINC001295997518 1064053601 /nfs/dbraw/zinc/05/36/01/1064053601.db2.gz RIFJCNWDGROQFZ-ISBRNDMJSA-N 1 0 494.750 2.857 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291503613 1064054841 /nfs/dbraw/zinc/05/48/41/1064054841.db2.gz BKWABTYKYUMINI-IBGZPJMESA-N 1 0 474.675 2.616 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@@H]1C ZINC001295998992 1064056192 /nfs/dbraw/zinc/05/61/92/1064056192.db2.gz YHSDKEMYQPLPBA-ZWKOTPCHSA-N 1 0 478.592 2.653 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291506483 1064056912 /nfs/dbraw/zinc/05/69/12/1064056912.db2.gz ABLWSLFFGJFUGS-RBUKOAKNSA-N 1 0 454.685 2.772 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001291507710 1064058640 /nfs/dbraw/zinc/05/86/40/1064058640.db2.gz YVVPQTIMWWPZLN-ZWKOTPCHSA-N 1 0 452.669 2.526 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001291507709 1064058667 /nfs/dbraw/zinc/05/86/67/1064058667.db2.gz YVVPQTIMWWPZLN-ROUUACIJSA-N 1 0 452.669 2.526 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291508429 1064059996 /nfs/dbraw/zinc/05/99/96/1064059996.db2.gz MCNBHQLMOUNRRH-LEWJYISDSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001291509491 1064060278 /nfs/dbraw/zinc/06/02/78/1064060278.db2.gz FCMHBFNAGPPPSP-NFBKMPQASA-N 1 0 467.662 2.804 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291510194 1064061692 /nfs/dbraw/zinc/06/16/92/1064061692.db2.gz QUEVKMCMPWBFOY-GGAORHGYSA-N 1 0 497.688 2.835 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001291510947 1064062744 /nfs/dbraw/zinc/06/27/44/1064062744.db2.gz HHGLTVAATMPBOK-DYESRHJHSA-N 1 0 460.598 2.965 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001296008836 1064062973 /nfs/dbraw/zinc/06/29/73/1064062973.db2.gz BSYOJRUAPQOBTI-ROUUACIJSA-N 1 0 495.653 2.530 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009391 1064064317 /nfs/dbraw/zinc/06/43/17/1064064317.db2.gz FURBZMCVJSUZTI-SFTDATJTSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccc(OC)cc2)C[C@@H]1C ZINC001296009327 1064064345 /nfs/dbraw/zinc/06/43/45/1064064345.db2.gz JUGIKQZGTRTXSE-UFYCRDLUSA-N 1 0 470.618 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001296009408 1064064495 /nfs/dbraw/zinc/06/44/95/1064064495.db2.gz GADOHKFVPISREY-AIFLQVKLSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009389 1064064517 /nfs/dbraw/zinc/06/45/17/1064064517.db2.gz FURBZMCVJSUZTI-NHCUHLMSSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009479 1064064849 /nfs/dbraw/zinc/06/48/49/1064064849.db2.gz GSINKCPVGOMQQV-SFTDATJTSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009626 1064065816 /nfs/dbraw/zinc/06/58/16/1064065816.db2.gz HTZORYGPYDWSKW-RTWAWAEBSA-N 1 0 484.645 2.675 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001291514399 1064067242 /nfs/dbraw/zinc/06/72/42/1064067242.db2.gz RUKCRCROVUNECF-GOSISDBHSA-N 1 0 454.685 2.964 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296009922 1064067428 /nfs/dbraw/zinc/06/74/28/1064067428.db2.gz NVBDUFSHGDYFGY-CNNODRBYSA-N 1 0 475.707 2.910 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001291517697 1064070372 /nfs/dbraw/zinc/07/03/72/1064070372.db2.gz ZPGOQZLEKWGZBW-GOSISDBHSA-N 1 0 453.591 2.595 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCOC2)C[C@@H]1C ZINC001296011682 1064071583 /nfs/dbraw/zinc/07/15/83/1064071583.db2.gz QEZKSDQBFJJOFF-FDFHNCONSA-N 1 0 459.639 2.502 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001296013134 1064073994 /nfs/dbraw/zinc/07/39/94/1064073994.db2.gz MHILNJZRMGEOBP-LLDSLBOVSA-N 1 0 475.609 2.968 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296014584 1064076353 /nfs/dbraw/zinc/07/63/53/1064076353.db2.gz YOBMUJTUVUBBCB-RTBURBONSA-N 1 0 471.581 2.806 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)C[C@@H]1C ZINC001296016846 1064078051 /nfs/dbraw/zinc/07/80/51/1064078051.db2.gz VPTYATMEIUUTOH-VPAKFMSCSA-N 1 0 468.618 2.952 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296017262 1064078763 /nfs/dbraw/zinc/07/87/63/1064078763.db2.gz XDNDXMMQPORKAC-OALUTQOASA-N 1 0 491.658 2.609 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001291539858 1064081959 /nfs/dbraw/zinc/08/19/59/1064081959.db2.gz JYKXPWQLPIIPIU-HBMCJLEFSA-N 1 0 466.696 2.916 20 0 JFADRO CC[NH+]1CCC(CCn2c(C)nnc2N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)CC1 ZINC001296022139 1064083133 /nfs/dbraw/zinc/08/31/33/1064083133.db2.gz RFTQCWDJSFGTFM-SFHVURJKSA-N 1 0 460.627 2.511 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296023914 1064083757 /nfs/dbraw/zinc/08/37/57/1064083757.db2.gz PLWVPWQFPLDFID-UHFFFAOYSA-N 1 0 470.618 2.799 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296024348 1064084077 /nfs/dbraw/zinc/08/40/77/1064084077.db2.gz XUYDHERPDMNTSM-SFHVURJKSA-N 1 0 470.618 2.751 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)CC1 ZINC001296024701 1064084415 /nfs/dbraw/zinc/08/44/15/1064084415.db2.gz GVJHFNYRJKWWRL-NRFANRHFSA-N 1 0 496.722 2.544 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001296024728 1064084709 /nfs/dbraw/zinc/08/47/09/1064084709.db2.gz HJCFIAALVSXMTI-FGZHOGPDSA-N 1 0 496.722 2.605 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCCO3)nnc2N2CCC(C(=O)NCCOC)CC2)CC1 ZINC001296024753 1064084986 /nfs/dbraw/zinc/08/49/86/1064084986.db2.gz HWWCMTOLWVVGJJ-QFIPXVFZSA-N 1 0 476.666 2.621 20 0 JFADRO CC[NH+]1CCC(CCn2c(CCc3ccc(OC)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001296026660 1064086586 /nfs/dbraw/zinc/08/65/86/1064086586.db2.gz HDLTUNAMXPDYEF-HXUWFJFHSA-N 1 0 468.646 2.861 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296031125 1064089014 /nfs/dbraw/zinc/08/90/14/1064089014.db2.gz QSSMTUOAHBGQKL-UHFFFAOYSA-N 1 0 461.010 2.911 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCNC(=O)CC2)CC1 ZINC001296031303 1064089023 /nfs/dbraw/zinc/08/90/23/1064089023.db2.gz UBHHFYUOFAXUBC-FQEVSTJZSA-N 1 0 489.665 2.798 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031095 1064089032 /nfs/dbraw/zinc/08/90/32/1064089032.db2.gz PUEMMBIBGSCABA-UNMCSNQZSA-N 1 0 453.635 2.863 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296031558 1064089459 /nfs/dbraw/zinc/08/94/59/1064089459.db2.gz VNJMZEXRGBHMEO-IBGZPJMESA-N 1 0 470.618 2.655 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)C1 ZINC001296033001 1064090573 /nfs/dbraw/zinc/09/05/73/1064090573.db2.gz HNLSVIMPXVHXHW-NRFANRHFSA-N 1 0 481.645 2.794 20 0 JFADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2CC[N@H+](CC)C2)CC1=O ZINC001296033124 1064091371 /nfs/dbraw/zinc/09/13/71/1064091371.db2.gz JYNHMBVDIFVUHT-RTBURBONSA-N 1 0 458.582 2.958 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCCN(CC)S(C)(=O)=O ZINC001291566559 1064094463 /nfs/dbraw/zinc/09/44/63/1064094463.db2.gz DRJQUNPIUDNVPS-IBGZPJMESA-N 1 0 454.685 2.918 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001296035437 1064094615 /nfs/dbraw/zinc/09/46/15/1064094615.db2.gz CZOPBITZWSIDQT-QMHKHESXSA-N 1 0 462.545 2.851 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](COC(C)C)C2)C1 ZINC001296036017 1064095414 /nfs/dbraw/zinc/09/54/14/1064095414.db2.gz GSMKBXQJZCTPKA-PZJWPPBQSA-N 1 0 473.618 2.934 20 0 JFADRO CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291570073 1064097013 /nfs/dbraw/zinc/09/70/13/1064097013.db2.gz ULWACYYDCIDKJY-PMACEKPBSA-N 1 0 459.614 2.889 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001296037872 1064097869 /nfs/dbraw/zinc/09/78/69/1064097869.db2.gz MOCUGTUYTSSRCR-SFHVURJKSA-N 1 0 477.451 2.818 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N(C)CCN2CCOCC2)C1 ZINC001296037870 1064098005 /nfs/dbraw/zinc/09/80/05/1064098005.db2.gz MOCUGTUYTSSRCR-GOSISDBHSA-N 1 0 477.451 2.818 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001296040722 1064100249 /nfs/dbraw/zinc/10/02/49/1064100249.db2.gz WQZWYXWKPMAAKQ-IBGZPJMESA-N 1 0 470.618 2.786 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc4cccnc43)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001296040377 1064100299 /nfs/dbraw/zinc/10/02/99/1064100299.db2.gz VQNVLCCSZUOLLQ-SFHVURJKSA-N 1 0 456.616 2.706 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C1 ZINC001296042399 1064101795 /nfs/dbraw/zinc/10/17/95/1064101795.db2.gz JQINHQPMMNTVBJ-FOIQADDNSA-N 1 0 455.529 2.550 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)C1 ZINC001296041546 1064101815 /nfs/dbraw/zinc/10/18/15/1064101815.db2.gz DKNFNDXBTHNRBD-MISYRCLQSA-N 1 0 490.649 2.638 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)C1 ZINC001296041545 1064101884 /nfs/dbraw/zinc/10/18/84/1064101884.db2.gz DKNFNDXBTHNRBD-DFQSSKMNSA-N 1 0 490.649 2.638 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C1 ZINC001296042402 1064102366 /nfs/dbraw/zinc/10/23/66/1064102366.db2.gz JQINHQPMMNTVBJ-YWZLYKJASA-N 1 0 455.529 2.550 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578190 1064103176 /nfs/dbraw/zinc/10/31/76/1064103176.db2.gz CHSWLAKSHHGKLQ-UWJYYQICSA-N 1 0 458.582 2.730 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 ZINC001296043930 1064103704 /nfs/dbraw/zinc/10/37/04/1064103704.db2.gz BBIHAXWXJQXCHM-NCYKPQTJSA-N 1 0 476.666 2.942 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296044263 1064103741 /nfs/dbraw/zinc/10/37/41/1064103741.db2.gz BQILQLFQXCNKDP-ROUUACIJSA-N 1 0 482.526 2.855 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001291578577 1064104162 /nfs/dbraw/zinc/10/41/62/1064104162.db2.gz FGVPKGYUDXAION-OFNKIYASSA-N 1 0 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CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079639 1064147357 /nfs/dbraw/zinc/14/73/57/1064147357.db2.gz HJTOLBUZAVBLSB-IFMALSPDSA-N 1 0 459.683 2.845 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296081202 1064148705 /nfs/dbraw/zinc/14/87/05/1064148705.db2.gz QPGYUQQKEKSWGP-QUCCMNQESA-N 1 0 489.020 2.735 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001296083020 1064150873 /nfs/dbraw/zinc/15/08/73/1064150873.db2.gz BPNCURXEECRZRW-IBGZPJMESA-N 1 0 478.638 2.819 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001296083558 1064151219 /nfs/dbraw/zinc/15/12/19/1064151219.db2.gz GDQOTNUNEQPPIJ-OAQYLSRUSA-N 1 0 497.669 2.938 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291614504 1064151836 /nfs/dbraw/zinc/15/18/36/1064151836.db2.gz LVSFUKQPBYFHFR-NRFANRHFSA-N 1 0 469.682 2.634 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296085012 1064153327 /nfs/dbraw/zinc/15/33/27/1064153327.db2.gz PQXKNNABYQIQFA-GOSISDBHSA-N 1 0 461.632 2.842 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)C1 ZINC001296084970 1064153366 /nfs/dbraw/zinc/15/33/66/1064153366.db2.gz BLIPIALLZVIYSH-VQTJNVASSA-N 1 0 489.665 2.545 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001296086537 1064154454 /nfs/dbraw/zinc/15/44/54/1064154454.db2.gz ZFNLAOLMRPAAHX-AEFFLSMTSA-N 1 0 454.545 2.626 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001296086544 1064155012 /nfs/dbraw/zinc/15/50/12/1064155012.db2.gz ZFNLAOLMRPAAHX-SJLPKXTDSA-N 1 0 454.545 2.626 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H](C)C(=O)NC ZINC001296086934 1064155446 /nfs/dbraw/zinc/15/54/46/1064155446.db2.gz CEUDNGKBVAOKFC-ZWKOTPCHSA-N 1 0 458.607 2.655 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H](C)C(=O)NC ZINC001296086933 1064155498 /nfs/dbraw/zinc/15/54/98/1064155498.db2.gz CEUDNGKBVAOKFC-ROUUACIJSA-N 1 0 458.607 2.655 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 ZINC001296087304 1064156097 /nfs/dbraw/zinc/15/60/97/1064156097.db2.gz DTUSPBGVDBVDJY-CTNGQTDRSA-N 1 0 490.674 2.685 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001291619215 1064156756 /nfs/dbraw/zinc/15/67/56/1064156756.db2.gz AFWQYLMKSGXAFB-WOJBJXKFSA-N 1 0 473.691 2.900 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088009 1064157781 /nfs/dbraw/zinc/15/77/81/1064157781.db2.gz QCHOZHDKFBNLKO-RTBURBONSA-N 1 0 475.638 2.597 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088006 1064157789 /nfs/dbraw/zinc/15/77/89/1064157789.db2.gz QCHOZHDKFBNLKO-OALUTQOASA-N 1 0 475.638 2.597 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001296089311 1064160102 /nfs/dbraw/zinc/16/01/02/1064160102.db2.gz OBJUNIGOYIXTFE-BXKMTCNYSA-N 1 0 456.591 2.538 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001291621612 1064161944 /nfs/dbraw/zinc/16/19/44/1064161944.db2.gz VPGGMNJBPUDWSK-HXUWFJFHSA-N 1 0 464.618 2.897 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(OC)c1 ZINC001296093212 1064165683 /nfs/dbraw/zinc/16/56/83/1064165683.db2.gz MEZGQPMFWGMRKZ-HXUWFJFHSA-N 1 0 470.618 2.929 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001296094848 1064167032 /nfs/dbraw/zinc/16/70/32/1064167032.db2.gz AKVSCYZCLSBYEB-NJDAHSKKSA-N 1 0 496.722 2.589 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095276 1064167571 /nfs/dbraw/zinc/16/75/71/1064167571.db2.gz GFNYVBVLVVFQGS-FBBABVLZSA-N 1 0 476.647 2.849 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095391 1064168585 /nfs/dbraw/zinc/16/85/85/1064168585.db2.gz ITYDJXXUBMGUGN-NQIIRXRSSA-N 1 0 458.582 2.928 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001296096015 1064169233 /nfs/dbraw/zinc/16/92/33/1064169233.db2.gz KYASJDVZELECHH-HXUWFJFHSA-N 1 0 470.618 2.511 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001291629020 1064172605 /nfs/dbraw/zinc/17/26/05/1064172605.db2.gz CKGNUDXLBZMXGR-KNQAVFIVSA-N 1 0 459.683 2.703 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001291630731 1064176437 /nfs/dbraw/zinc/17/64/37/1064176437.db2.gz HXEOXTBOYMJURW-HXUWFJFHSA-N 1 0 461.699 2.950 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[N@H+](C)C(C)C)CC1=O ZINC001296102026 1064176998 /nfs/dbraw/zinc/17/69/98/1064176998.db2.gz BCAMPTOKQONBCI-UHFFFAOYSA-N 1 0 458.607 2.751 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291631427 1064177775 /nfs/dbraw/zinc/17/77/75/1064177775.db2.gz VLXNLJLMOXPJPS-FGZHOGPDSA-N 1 0 461.699 2.902 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC001296103544 1064181679 /nfs/dbraw/zinc/18/16/79/1064181679.db2.gz SRSOASBMACTIGB-NRFANRHFSA-N 1 0 475.037 2.894 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291638451 1064185694 /nfs/dbraw/zinc/18/56/94/1064185694.db2.gz MWTKQZLPGAFUNV-WIYYLYMNSA-N 1 0 461.680 2.726 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638870 1064185992 /nfs/dbraw/zinc/18/59/92/1064185992.db2.gz KBBVZVJYFXKBED-FPOVZHCZSA-N 1 0 454.619 2.552 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCC[C@@H](O)C1 ZINC001291640393 1064189419 /nfs/dbraw/zinc/18/94/19/1064189419.db2.gz RQAIQXONCQUIHG-WBADGQHESA-N 1 0 462.683 2.574 20 0 JFADRO CCN1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1=O ZINC001296111023 1064190385 /nfs/dbraw/zinc/19/03/85/1064190385.db2.gz UIZZMOMSGKXXKR-DENIHFKCSA-N 1 0 470.618 2.826 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccco1 ZINC001291641956 1064191777 /nfs/dbraw/zinc/19/17/77/1064191777.db2.gz GYYWALHHGGQKEJ-ACRUOGEOSA-N 1 0 471.650 2.809 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001291643292 1064193749 /nfs/dbraw/zinc/19/37/49/1064193749.db2.gz GWXBCYCMJFHGOD-QGZVFWFLSA-N 1 0 495.719 2.942 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001291644325 1064197823 /nfs/dbraw/zinc/19/78/23/1064197823.db2.gz OBCWXWCEEVVUAO-UGKGYDQZSA-N 1 0 490.674 2.719 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCCCC[NH+]1CCCCC1 ZINC001291644524 1064198294 /nfs/dbraw/zinc/19/82/94/1064198294.db2.gz QNOWTHPQZYXRAT-PMACEKPBSA-N 1 0 454.685 2.918 20 0 JFADRO CCN1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCSC(C)C)CC1=O ZINC001296117928 1064199841 /nfs/dbraw/zinc/19/98/41/1064199841.db2.gz ZHAINSMDNRDKDB-UHFFFAOYSA-N 1 0 499.729 2.843 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[NH+]1CCCCCC1 ZINC001291645065 1064200522 /nfs/dbraw/zinc/20/05/22/1064200522.db2.gz ZATAVXHOCUJBCH-SFHVURJKSA-N 1 0 495.719 2.943 20 0 JFADRO CCN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296118512 1064201028 /nfs/dbraw/zinc/20/10/28/1064201028.db2.gz CZHFIIFCMWOEGJ-FQEVSTJZSA-N 1 0 473.691 2.671 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001296118737 1064201884 /nfs/dbraw/zinc/20/18/84/1064201884.db2.gz IYXTZONRVMUMEQ-SZPZYZBQSA-N 1 0 473.710 2.725 20 0 JFADRO CC[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291649651 1064202802 /nfs/dbraw/zinc/20/28/02/1064202802.db2.gz OBPMISPOALNLIU-HOTGVXAUSA-N 1 0 455.529 2.995 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+]3CC)CC2)CC1 ZINC001296119488 1064204835 /nfs/dbraw/zinc/20/48/35/1064204835.db2.gz VLXXEHMRFQSLKO-QFIPXVFZSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001291652431 1064205546 /nfs/dbraw/zinc/20/55/46/1064205546.db2.gz SFWMIZYFGQEOOG-IHPCNDPISA-N 1 0 453.591 2.567 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119870 1064206777 /nfs/dbraw/zinc/20/67/77/1064206777.db2.gz BULMQOZRZHGUJV-ZGXWSNOMSA-N 1 0 472.625 2.756 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291655995 1064207300 /nfs/dbraw/zinc/20/73/00/1064207300.db2.gz JWPMTFOXXMSITF-XXBNENTESA-N 1 0 459.639 2.512 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001296120229 1064208661 /nfs/dbraw/zinc/20/86/61/1064208661.db2.gz GJRLNVDAUJTJAH-PMACEKPBSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC001296120372 1064209465 /nfs/dbraw/zinc/20/94/65/1064209465.db2.gz IFCUGVTVSZNACT-SFHVURJKSA-N 1 0 460.696 2.827 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296120521 1064210101 /nfs/dbraw/zinc/21/01/01/1064210101.db2.gz IZIHEAPIPNRVIM-ROUUACIJSA-N 1 0 477.604 2.918 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120560 1064210594 /nfs/dbraw/zinc/21/05/94/1064210594.db2.gz JLZQRDAGVPVMRL-KNKQGSTJSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296120563 1064210612 /nfs/dbraw/zinc/21/06/12/1064210612.db2.gz JOQDHXTWRXCZNC-FUHWJXTLSA-N 1 0 480.455 2.677 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 ZINC001296120779 1064211084 /nfs/dbraw/zinc/21/10/84/1064211084.db2.gz KVPHESLOTCTGFN-GOSISDBHSA-N 1 0 495.093 2.638 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3ccccc3C)C2)CC1 ZINC001296121536 1064213154 /nfs/dbraw/zinc/21/31/54/1064213154.db2.gz PWVAMDFPRLASSE-YADHBBJMSA-N 1 0 467.662 2.745 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291672384 1064213953 /nfs/dbraw/zinc/21/39/53/1064213953.db2.gz QVHVLUKGDZZUBV-WMZHIEFXSA-N 1 0 468.646 2.970 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(Cc2cccs2)C2CC2)CC1 ZINC001296122099 1064214182 /nfs/dbraw/zinc/21/41/82/1064214182.db2.gz SUINLQGHUYEAJK-SFHVURJKSA-N 1 0 459.664 2.673 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296122348 1064214504 /nfs/dbraw/zinc/21/45/04/1064214504.db2.gz VXNAINAMJUSWDV-RBUKOAKNSA-N 1 0 474.053 2.682 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001291672643 1064214521 /nfs/dbraw/zinc/21/45/21/1064214521.db2.gz RLSZFSYFFFPSQF-WWPVKYPJSA-N 1 0 454.619 2.970 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001291672641 1064214528 /nfs/dbraw/zinc/21/45/28/1064214528.db2.gz RLSZFSYFFFPSQF-PMOQBDJRSA-N 1 0 454.619 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122265 1064214646 /nfs/dbraw/zinc/21/46/46/1064214646.db2.gz UXXYOSXIORRAMS-WOJBJXKFSA-N 1 0 463.671 2.873 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122307 1064214677 /nfs/dbraw/zinc/21/46/77/1064214677.db2.gz VMWFNQNCXCPLKO-DYQZNNLLSA-N 1 0 474.625 2.790 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296122564 1064215082 /nfs/dbraw/zinc/21/50/82/1064215082.db2.gz XTMPBYDRNBDXNL-DCLXLUIPSA-N 1 0 486.661 2.850 20 0 JFADRO CC[C@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291685453 1064217410 /nfs/dbraw/zinc/21/74/10/1064217410.db2.gz YBTAGNFLJBPHDK-SFHVURJKSA-N 1 0 455.694 2.778 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291687932 1064217767 /nfs/dbraw/zinc/21/77/67/1064217767.db2.gz KJBAYRABDVQVIP-GSRZOBFVSA-N 1 0 462.639 2.694 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001296124878 1064217910 /nfs/dbraw/zinc/21/79/10/1064217910.db2.gz KFENFFLPIPZVHN-BHIFYINESA-N 1 0 456.635 2.520 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001291687933 1064218000 /nfs/dbraw/zinc/21/80/00/1064218000.db2.gz KJBAYRABDVQVIP-LYXWCMDISA-N 1 0 462.639 2.694 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291692715 1064219069 /nfs/dbraw/zinc/21/90/69/1064219069.db2.gz HNADMFWFBDBSCW-XUVXKRRUSA-N 1 0 479.691 2.904 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125561 1064219073 /nfs/dbraw/zinc/21/90/73/1064219073.db2.gz MSTKVHZNGKERFY-SIKLNZKXSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125559 1064219161 /nfs/dbraw/zinc/21/91/61/1064219161.db2.gz MSTKVHZNGKERFY-DENIHFKCSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001296126454 1064220552 /nfs/dbraw/zinc/22/05/52/1064220552.db2.gz QHRWTYSHVMHQPH-MOPGFXCFSA-N 1 0 467.618 2.536 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296126886 1064221347 /nfs/dbraw/zinc/22/13/47/1064221347.db2.gz SNQWNFIOTOKFKP-IBGZPJMESA-N 1 0 479.629 2.869 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296127358 1064221609 /nfs/dbraw/zinc/22/16/09/1064221609.db2.gz UXZYBVLBDKKSBI-CCLHPLFOSA-N 1 0 481.689 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296128354 1064222485 /nfs/dbraw/zinc/22/24/85/1064222485.db2.gz YNXUQEPTJFJIAF-OAQYLSRUSA-N 1 0 470.662 2.969 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296128353 1064222506 /nfs/dbraw/zinc/22/25/06/1064222506.db2.gz YNXUQEPTJFJIAF-NRFANRHFSA-N 1 0 470.662 2.969 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291713370 1064224233 /nfs/dbraw/zinc/22/42/33/1064224233.db2.gz HHNPJPGFYVLYBZ-RTBURBONSA-N 1 0 477.679 2.689 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131434 1064225939 /nfs/dbraw/zinc/22/59/39/1064225939.db2.gz KQLOVDNSUQPFKG-NHCUHLMSSA-N 1 0 493.697 2.705 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001296131766 1064226871 /nfs/dbraw/zinc/22/68/71/1064226871.db2.gz MXRLCEHNIIYVJJ-HXUWFJFHSA-N 1 0 490.766 2.896 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296131767 1064226993 /nfs/dbraw/zinc/22/69/93/1064226993.db2.gz MYXJNUWHZLZCOE-IBGZPJMESA-N 1 0 473.632 2.967 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296131837 1064227429 /nfs/dbraw/zinc/22/74/29/1064227429.db2.gz OGOCCRXPUSUIBW-DXIQSLLYSA-N 1 0 461.054 2.755 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291720397 1064227406 /nfs/dbraw/zinc/22/74/06/1064227406.db2.gz OOPVOQOKNUHFLY-BQJUDKOJSA-N 1 0 498.738 2.850 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296132249 1064229460 /nfs/dbraw/zinc/22/94/60/1064229460.db2.gz ABJUMGUQSPGXAW-PQNGQFLHSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296132594 1064230821 /nfs/dbraw/zinc/23/08/21/1064230821.db2.gz BVDZRVQYTWUYHV-OAQYLSRUSA-N 1 0 473.710 2.831 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296132875 1064232094 /nfs/dbraw/zinc/23/20/94/1064232094.db2.gz XDFYJIYBJAKCGP-QYZOEREBSA-N 1 0 462.589 2.787 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133185 1064232667 /nfs/dbraw/zinc/23/26/67/1064232667.db2.gz GMKVHNFFSKUSHE-CLOONOSVSA-N 1 0 458.626 2.839 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296133211 1064233159 /nfs/dbraw/zinc/23/31/59/1064233159.db2.gz GZPAFSWLVZTYFG-PMACEKPBSA-N 1 0 491.681 2.601 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296133931 1064234942 /nfs/dbraw/zinc/23/49/42/1064234942.db2.gz LKDCYHHTYKGXIK-FQEVSTJZSA-N 1 0 457.667 2.609 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001296133882 1064234985 /nfs/dbraw/zinc/23/49/85/1064234985.db2.gz LFUIVPHROTZRNH-PKTZIBPZSA-N 1 0 470.662 2.973 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001291752357 1064235109 /nfs/dbraw/zinc/23/51/09/1064235109.db2.gz IPLYSZHVJXUKBD-GOSISDBHSA-N 1 0 456.591 2.652 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291752336 1064235173 /nfs/dbraw/zinc/23/51/73/1064235173.db2.gz IHWCACBDORNLFF-GOSISDBHSA-N 1 0 475.588 2.849 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134299 1064235234 /nfs/dbraw/zinc/23/52/34/1064235234.db2.gz XYUCCZYGMOHPHP-FCHUYYIVSA-N 1 0 455.651 2.662 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296134377 1064235848 /nfs/dbraw/zinc/23/58/48/1064235848.db2.gz OJZLZSOAXGWMAM-MOPGFXCFSA-N 1 0 491.731 2.627 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296134379 1064235909 /nfs/dbraw/zinc/23/59/09/1064235909.db2.gz OJZLZSOAXGWMAM-RBUKOAKNSA-N 1 0 491.731 2.627 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001296134692 1064236177 /nfs/dbraw/zinc/23/61/77/1064236177.db2.gz PIXMCJUHMCSDIL-HXUWFJFHSA-N 1 0 454.623 2.704 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296134669 1064236190 /nfs/dbraw/zinc/23/61/90/1064236190.db2.gz ZMTRTGVPNBPYOX-LAUBAEHRSA-N 1 0 475.588 2.560 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001296134561 1064236232 /nfs/dbraw/zinc/23/62/32/1064236232.db2.gz YNFWLSOAOWDVAD-IBGZPJMESA-N 1 0 459.639 2.903 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296134783 1064236547 /nfs/dbraw/zinc/23/65/47/1064236547.db2.gz QIUPWIZVEXXFRY-FGZHOGPDSA-N 1 0 456.635 2.807 20 0 JFADRO CC[C@H](C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001291754468 1064236628 /nfs/dbraw/zinc/23/66/28/1064236628.db2.gz QYJWAKDRTOCMLC-UFYCRDLUSA-N 1 0 484.711 2.604 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296134833 1064237032 /nfs/dbraw/zinc/23/70/32/1064237032.db2.gz RATWMNQJDPXHJE-OAQYLSRUSA-N 1 0 473.710 2.732 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCC(C(=O)N(C)C(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001296135184 1064238338 /nfs/dbraw/zinc/23/83/38/1064238338.db2.gz XBMHIBSSGADHMZ-FQEVSTJZSA-N 1 0 461.699 2.685 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135134 1064238495 /nfs/dbraw/zinc/23/84/95/1064238495.db2.gz WMBLJYMYDCCQCH-RXVVDRJESA-N 1 0 457.671 2.651 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)CC1 ZINC001291758789 1064238430 /nfs/dbraw/zinc/23/84/30/1064238430.db2.gz AXKLSHWTJMVHKM-CQSZACIVSA-N 1 0 467.387 2.903 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001291758695 1064238510 /nfs/dbraw/zinc/23/85/10/1064238510.db2.gz BQEZGEBFWXMYDN-IEBWSBKVSA-N 1 0 491.036 2.981 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)Cc3ccco3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296135220 1064238788 /nfs/dbraw/zinc/23/87/88/1064238788.db2.gz XKCYAJFOAPBAEE-RDPSFJRHSA-N 1 0 460.623 2.574 20 0 JFADRO 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CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001296179902 1064310378 /nfs/dbraw/zinc/31/03/78/1064310378.db2.gz HXHUCLXDCLRHRO-GOSISDBHSA-N 1 0 499.557 2.782 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001296180250 1064310809 /nfs/dbraw/zinc/31/08/09/1064310809.db2.gz LRBCDZMKGDKJAO-IAGOWNOFSA-N 1 0 462.586 2.989 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180609 1064312574 /nfs/dbraw/zinc/31/25/74/1064312574.db2.gz OOZKSBQGHSORGB-GMAHTHKFSA-N 1 0 499.679 2.566 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296180745 1064312612 /nfs/dbraw/zinc/31/26/12/1064312612.db2.gz QSKUEZKPDGECHH-WMZHIEFXSA-N 1 0 462.042 2.617 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)(C)O)C2)CC1 ZINC001296181056 1064313436 /nfs/dbraw/zinc/31/34/36/1064313436.db2.gz UDLSWKIEMOBBTJ-KRWDZBQOSA-N 1 0 495.441 2.834 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)(C)O)C2)CC1 ZINC001296181057 1064313522 /nfs/dbraw/zinc/31/35/22/1064313522.db2.gz UDLSWKIEMOBBTJ-QGZVFWFLSA-N 1 0 495.441 2.834 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Br)cc4)n3CCCOC)C2)CC1 ZINC001296181293 1064314223 /nfs/dbraw/zinc/31/42/23/1064314223.db2.gz WQCPNFFMLQQZNJ-FQEVSTJZSA-N 1 0 477.451 2.960 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4ccc(C)cc4)n3CC(C)(C)OC)C2)CC1 ZINC001296181947 1064320042 /nfs/dbraw/zinc/32/00/42/1064320042.db2.gz HZMIRGREUMJHDR-NRFANRHFSA-N 1 0 456.635 2.807 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)(C)C)C2)CC1 ZINC001296182995 1064326052 /nfs/dbraw/zinc/32/60/52/1064326052.db2.gz XOCMXJAWRWPOHU-JOCHJYFZSA-N 1 0 497.688 2.687 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296183849 1064330308 /nfs/dbraw/zinc/33/03/08/1064330308.db2.gz HCUPNFCGTUCCIL-IEBWSBKVSA-N 1 0 494.482 2.925 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296184317 1064331742 /nfs/dbraw/zinc/33/17/42/1064331742.db2.gz JOQPBPRIHJHELC-UFYCRDLUSA-N 1 0 486.690 2.529 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296184911 1064332205 /nfs/dbraw/zinc/33/22/05/1064332205.db2.gz MXVNBEQDBCJVFV-OAQYLSRUSA-N 1 0 459.683 2.656 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)OC)CC1 ZINC001296184558 1064332236 /nfs/dbraw/zinc/33/22/36/1064332236.db2.gz LHTWIHNAYHOIBU-INIZCTEOSA-N 1 0 481.439 2.987 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190051 1064336833 /nfs/dbraw/zinc/33/68/33/1064336833.db2.gz BHZFOPVYDKCCGU-LEWJYISDSA-N 1 0 488.681 2.835 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291812496 1064339581 /nfs/dbraw/zinc/33/95/81/1064339581.db2.gz QLCUKITUJAVNNT-RTBURBONSA-N 1 0 458.582 2.690 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296190634 1064339703 /nfs/dbraw/zinc/33/97/03/1064339703.db2.gz DEOJPSCWSMRESL-QFIPXVFZSA-N 1 0 487.737 2.979 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001291812977 1064340815 /nfs/dbraw/zinc/34/08/15/1064340815.db2.gz SJQFQXKDBYXAMD-HFMPRLQTSA-N 1 0 495.672 2.629 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001296191527 1064342036 /nfs/dbraw/zinc/34/20/36/1064342036.db2.gz BDYOUKMIABCGQA-WOJBJXKFSA-N 1 0 488.080 2.835 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001296191521 1064342051 /nfs/dbraw/zinc/34/20/51/1064342051.db2.gz BDYOUKMIABCGQA-PMACEKPBSA-N 1 0 488.080 2.835 20 0 JFADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001291814376 1064342795 /nfs/dbraw/zinc/34/27/95/1064342795.db2.gz IAPXPSBGIJVQRF-NHCUHLMSSA-N 1 0 451.633 2.933 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)CC1 ZINC001296191835 1064343222 /nfs/dbraw/zinc/34/32/22/1064343222.db2.gz CFEHJMZPLVQESX-FQEVSTJZSA-N 1 0 462.683 2.971 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291814986 1064343294 /nfs/dbraw/zinc/34/32/94/1064343294.db2.gz BDQXSWYCRJPCJL-QFIPXVFZSA-N 1 0 492.672 2.928 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296192184 1064344095 /nfs/dbraw/zinc/34/40/95/1064344095.db2.gz DLRUUYHKLDZNEE-IEBWSBKVSA-N 1 0 458.573 2.977 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296192109 1064344153 /nfs/dbraw/zinc/34/41/53/1064344153.db2.gz MDKBGJNUNACYHJ-NVQXNPDNSA-N 1 0 469.678 2.933 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296192312 1064344752 /nfs/dbraw/zinc/34/47/52/1064344752.db2.gz FCMZGDLVUFQSJL-IRLDBZIGSA-N 1 0 467.662 2.619 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001296192606 1064346545 /nfs/dbraw/zinc/34/65/45/1064346545.db2.gz GBXDAKBTFWHIIS-UNMCSNQZSA-N 1 0 485.652 2.662 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192869 1064347329 /nfs/dbraw/zinc/34/73/29/1064347329.db2.gz HAWBHZOVSNZQNR-NZQKXSOJSA-N 1 0 483.661 2.529 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296193334 1064349422 /nfs/dbraw/zinc/34/94/22/1064349422.db2.gz IIUMOPPVYJWPMP-SIKLNZKXSA-N 1 0 474.723 2.745 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296193392 1064350360 /nfs/dbraw/zinc/35/03/60/1064350360.db2.gz IRPCQWARIXARDH-CMKODMSKSA-N 1 0 481.567 2.770 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296193400 1064350410 /nfs/dbraw/zinc/35/04/10/1064350410.db2.gz IRPCQWARIXARDH-NSHGMRRFSA-N 1 0 481.567 2.770 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296193377 1064350437 /nfs/dbraw/zinc/35/04/37/1064350437.db2.gz PBTGNFSUMVLVMV-NJYVYQBISA-N 1 0 458.626 2.895 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296193809 1064353261 /nfs/dbraw/zinc/35/32/61/1064353261.db2.gz JULVNYORQICCCW-FQEVSTJZSA-N 1 0 474.625 2.885 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296194122 1064353989 /nfs/dbraw/zinc/35/39/89/1064353989.db2.gz LSYWRIARCCTCLM-IFMALSPDSA-N 1 0 486.661 2.851 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296194619 1064356778 /nfs/dbraw/zinc/35/67/78/1064356778.db2.gz MWROTUMZGPJUNH-LEWJYISDSA-N 1 0 474.625 2.885 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296195443 1064361768 /nfs/dbraw/zinc/36/17/68/1064361768.db2.gz KPAAHARITMHRHV-SFTDATJTSA-N 1 0 486.661 2.994 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001296196039 1064364097 /nfs/dbraw/zinc/36/40/97/1064364097.db2.gz ODSDTKROBXSJKZ-JOCHJYFZSA-N 1 0 477.053 2.868 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296196238 1064365853 /nfs/dbraw/zinc/36/58/53/1064365853.db2.gz YEPXVZCIJUEUBQ-OAQYLSRUSA-N 1 0 471.694 2.857 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296196155 1064365888 /nfs/dbraw/zinc/36/58/88/1064365888.db2.gz XMEJNRLTNVWGFQ-GMAHTHKFSA-N 1 0 469.678 2.789 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296196153 1064365956 /nfs/dbraw/zinc/36/59/56/1064365956.db2.gz XMEJNRLTNVWGFQ-GGAORHGYSA-N 1 0 469.678 2.789 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296196562 1064367947 /nfs/dbraw/zinc/36/79/47/1064367947.db2.gz USVKFNBIDZZDQG-NLWGTHIKSA-N 1 0 483.583 2.713 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cscn2)CC1 ZINC001296196690 1064369690 /nfs/dbraw/zinc/36/96/90/1064369690.db2.gz ZCOUNMMSCQXKSJ-IBGZPJMESA-N 1 0 454.648 2.630 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296196943 1064370414 /nfs/dbraw/zinc/37/04/14/1064370414.db2.gz WDFBTOIVZZJXNJ-PKTZIBPZSA-N 1 0 498.672 2.829 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001296196950 1064371202 /nfs/dbraw/zinc/37/12/02/1064371202.db2.gz WWSICMZKMBFTDW-SXWKCWPCSA-N 1 0 483.661 2.709 20 0 JFADRO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)C[NH+]1CCN(CC)CC1)C(C)C ZINC001296196942 1064371238 /nfs/dbraw/zinc/37/12/38/1064371238.db2.gz WUIZRYOJLMBPOJ-HXUWFJFHSA-N 1 0 480.661 2.700 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296196988 1064371314 /nfs/dbraw/zinc/37/13/14/1064371314.db2.gz XNKBHIKPUKNKEP-PMACEKPBSA-N 1 0 475.682 2.875 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCNC(=O)CC2)CC1 ZINC001296197036 1064372092 /nfs/dbraw/zinc/37/20/92/1064372092.db2.gz WTDGNCKIGBNTGF-QHCPKHFHSA-N 1 0 497.688 2.779 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001296197701 1064374561 /nfs/dbraw/zinc/37/45/61/1064374561.db2.gz ZZFQXVNGOHUUDD-UHFFFAOYSA-N 1 0 453.635 2.859 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296202126 1064376557 /nfs/dbraw/zinc/37/65/57/1064376557.db2.gz FBEPQIJWWVPBSG-NRFANRHFSA-N 1 0 482.739 2.688 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001296202171 1064377020 /nfs/dbraw/zinc/37/70/20/1064377020.db2.gz FZHKULGGLWBUFS-NRFANRHFSA-N 1 0 474.053 2.937 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296202168 1064377137 /nfs/dbraw/zinc/37/71/37/1064377137.db2.gz FWDCZJXNHKNCPH-JOCHJYFZSA-N 1 0 472.682 2.561 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001291827396 1064377438 /nfs/dbraw/zinc/37/74/38/1064377438.db2.gz AHFFOOUADRPODK-HXUWFJFHSA-N 1 0 455.651 2.548 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296202550 1064378569 /nfs/dbraw/zinc/37/85/69/1064378569.db2.gz FHVLSRIJYTYJBO-UHFFFAOYSA-N 1 0 463.577 2.782 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001296202616 1064378612 /nfs/dbraw/zinc/37/86/12/1064378612.db2.gz GQCSHJTZCOFHDZ-RUZDIDTESA-N 1 0 472.682 2.563 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296203757 1064382933 /nfs/dbraw/zinc/38/29/33/1064382933.db2.gz OZQZDWXYTJHGLT-QZTJIDSGSA-N 1 0 494.482 2.687 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296203807 1064383555 /nfs/dbraw/zinc/38/35/55/1064383555.db2.gz OXQPDQTYBSCGSS-UHFFFAOYSA-N 1 0 499.679 2.730 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296204552 1064386368 /nfs/dbraw/zinc/38/63/68/1064386368.db2.gz WRIWNWWQGXSESJ-UHFFFAOYSA-N 1 0 454.623 2.579 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001291829443 1064386397 /nfs/dbraw/zinc/38/63/97/1064386397.db2.gz MQFIKLWWMLRGCB-NHCUHLMSSA-N 1 0 471.650 2.868 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205075 1064387772 /nfs/dbraw/zinc/38/77/72/1064387772.db2.gz WVPHGVMXIRPWOY-KNQAVFIVSA-N 1 0 471.625 2.983 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2scnc2C)CC1 ZINC001296205189 1064389615 /nfs/dbraw/zinc/38/96/15/1064389615.db2.gz YCRGPCWHPUYAIA-HXUWFJFHSA-N 1 0 461.680 2.991 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001291830729 1064390042 /nfs/dbraw/zinc/39/00/42/1064390042.db2.gz XMWRTMMAHSEUFZ-RTWAWAEBSA-N 1 0 461.699 2.734 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CCC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296205203 1064390078 /nfs/dbraw/zinc/39/00/78/1064390078.db2.gz YHYTZXKTXCIFHY-UHFFFAOYSA-N 1 0 475.682 2.878 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296205305 1064391029 /nfs/dbraw/zinc/39/10/29/1064391029.db2.gz SNAVOSMLYWUMQO-UHFFFAOYSA-N 1 0 461.561 2.536 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001291831126 1064391442 /nfs/dbraw/zinc/39/14/42/1064391442.db2.gz ZUMSNZOKKJPXAA-FKBYEOEOSA-N 1 0 461.699 2.949 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001291831121 1064391480 /nfs/dbraw/zinc/39/14/80/1064391480.db2.gz ZPKZEPZVSNSCEG-UNMCSNQZSA-N 1 0 469.678 2.915 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3cc4ccccc4o3)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001296206168 1064393310 /nfs/dbraw/zinc/39/33/10/1064393310.db2.gz JAMKYHLRDXZGKL-LJQANCHMSA-N 1 0 488.658 2.588 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296206145 1064393385 /nfs/dbraw/zinc/39/33/85/1064393385.db2.gz IUCZXBOOIJDKJJ-UHFFFAOYSA-N 1 0 474.053 2.685 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001296206295 1064394745 /nfs/dbraw/zinc/39/47/45/1064394745.db2.gz MMQVVTBIBPWIDR-IBGZPJMESA-N 1 0 481.016 2.617 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001296206309 1064394798 /nfs/dbraw/zinc/39/47/98/1064394798.db2.gz NBEPLWNVFVCWOS-QFIPXVFZSA-N 1 0 481.689 2.972 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001296206291 1064394828 /nfs/dbraw/zinc/39/48/28/1064394828.db2.gz MIQDENWFMBTKJI-LJQANCHMSA-N 1 0 461.010 2.625 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291832258 1064396027 /nfs/dbraw/zinc/39/60/27/1064396027.db2.gz GBOSHXOBGQSNRN-VXKWHMMOSA-N 1 0 497.688 2.722 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296206463 1064396406 /nfs/dbraw/zinc/39/64/06/1064396406.db2.gz RREVCAQOCGHJAE-UHFFFAOYSA-N 1 0 462.042 2.587 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296207579 1064398774 /nfs/dbraw/zinc/39/87/74/1064398774.db2.gz YLVRSWXAXLBZRC-OFNKIYASSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CC=C(COC)CC2)CC1 ZINC001296212248 1064403727 /nfs/dbraw/zinc/40/37/27/1064403727.db2.gz VUVMAOOYRXHKCD-UHFFFAOYSA-N 1 0 456.610 2.819 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001291835178 1064413413 /nfs/dbraw/zinc/41/34/13/1064413413.db2.gz FPJXBAPXZRDZAU-GOTSBHOMSA-N 1 0 489.709 2.678 20 0 JFADRO CCn1nc(-c2nnc(N(C)C[C@@H]3CCOC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296214666 1064413320 /nfs/dbraw/zinc/41/33/20/1064413320.db2.gz NUBBQCPRNKIGKB-IBGZPJMESA-N 1 0 467.618 2.878 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001291835935 1064415798 /nfs/dbraw/zinc/41/57/98/1064415798.db2.gz LMOKCIKXFOAEOX-LEWJYISDSA-N 1 0 459.683 2.704 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291836203 1064416561 /nfs/dbraw/zinc/41/65/61/1064416561.db2.gz MVXOSIILZYHVBE-FYYLOGMGSA-N 1 0 496.704 2.806 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291836205 1064416584 /nfs/dbraw/zinc/41/65/84/1064416584.db2.gz MVXOSIILZYHVBE-GMAHTHKFSA-N 1 0 496.704 2.806 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291836204 1064416591 /nfs/dbraw/zinc/41/65/91/1064416591.db2.gz MVXOSIILZYHVBE-GGAORHGYSA-N 1 0 496.704 2.806 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@@H](C)CC[C@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296215810 1064420024 /nfs/dbraw/zinc/42/00/24/1064420024.db2.gz FZMJMNPTISIWFK-RBUKOAKNSA-N 1 0 467.618 2.878 20 0 JFADRO CCn1nc(-c2nnc(N3CCC[C@H]3C)n2CC[N@H+](C)CCCOC)c2ccccc2c1=O ZINC001296218697 1064429529 /nfs/dbraw/zinc/42/95/29/1064429529.db2.gz BVJUXIGJHXIVNE-GOSISDBHSA-N 1 0 453.591 2.632 20 0 JFADRO CCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(O)(CC)CC)c2ccccc2c1=O ZINC001296221087 1064438221 /nfs/dbraw/zinc/43/82/21/1064438221.db2.gz DGACOQUKJGDKEO-UHFFFAOYSA-N 1 0 467.618 2.756 20 0 JFADRO CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291845679 1064452387 /nfs/dbraw/zinc/45/23/87/1064452387.db2.gz CHXNCIDIFDMIMB-JPYJTQIMSA-N 1 0 458.010 2.910 20 0 JFADRO CC[C@@H](c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001291845919 1064453488 /nfs/dbraw/zinc/45/34/88/1064453488.db2.gz UHBOFIVVVRKFQP-MDNUFGMLSA-N 1 0 489.686 2.944 20 0 JFADRO CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001291851698 1064458156 /nfs/dbraw/zinc/45/81/56/1064458156.db2.gz UAPVMKOJHCAZNN-RCZVLFRGSA-N 1 0 482.673 2.971 20 0 JFADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)cnc21 ZINC001296228799 1064462120 /nfs/dbraw/zinc/46/21/20/1064462120.db2.gz DWVILNIIKWLPOF-SFHVURJKSA-N 1 0 457.481 2.658 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291856943 1064464402 /nfs/dbraw/zinc/46/44/02/1064464402.db2.gz JZKJDMKWQNQKJD-BESBDSHLSA-N 1 0 468.646 2.986 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCOCC[NH+](C)C)c1ccccc1 ZINC001291862155 1064471050 /nfs/dbraw/zinc/47/10/50/1064471050.db2.gz VXBVDYHZVMSCKE-HOKHCIIBSA-N 1 0 457.619 2.782 20 0 JFADRO CC[C@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291863281 1064474342 /nfs/dbraw/zinc/47/43/42/1064474342.db2.gz OAIXRAJFMKYREH-RDPSFJRHSA-N 1 0 456.660 2.831 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1CCCC[NH+]1CCOCC1)c1ccccc1 ZINC001291864394 1064476558 /nfs/dbraw/zinc/47/65/58/1064476558.db2.gz TVNWUGICPPXXGC-HSZRJFAPSA-N 1 0 468.646 2.895 20 0 JFADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864426 1064476592 /nfs/dbraw/zinc/47/65/92/1064476592.db2.gz UIRXTGAPRVCONG-QPPBQGQZSA-N 1 0 481.689 2.808 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001296234789 1064480109 /nfs/dbraw/zinc/48/01/09/1064480109.db2.gz PIOBCGUCSHLHEA-UHFFFAOYSA-N 1 0 467.643 2.929 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001296234898 1064481395 /nfs/dbraw/zinc/48/13/95/1064481395.db2.gz UEUWDHWKSUXEFY-UXHICEINSA-N 1 0 470.666 2.932 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291878079 1064499049 /nfs/dbraw/zinc/49/90/49/1064499049.db2.gz VUSXFGJBQVKNAX-NHCUHLMSSA-N 1 0 454.619 2.633 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001296242890 1064503252 /nfs/dbraw/zinc/50/32/52/1064503252.db2.gz ZZWGJLZSEYTGMM-UHFFFAOYSA-N 1 0 460.573 2.841 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881931 1064504456 /nfs/dbraw/zinc/50/44/56/1064504456.db2.gz ZGYAAYZTYBXINY-GMAHTHKFSA-N 1 0 481.689 2.938 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001291886635 1064507773 /nfs/dbraw/zinc/50/77/73/1064507773.db2.gz FMHHVTYARNJZFH-FYYLOGMGSA-N 1 0 497.688 2.724 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291887908 1064509714 /nfs/dbraw/zinc/50/97/14/1064509714.db2.gz KSEFYSGCIAYKKC-BKMJKUGQSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001291887987 1064510804 /nfs/dbraw/zinc/51/08/04/1064510804.db2.gz MCJMILUXFMDWGP-DENIHFKCSA-N 1 0 474.675 2.774 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001291888640 1064512481 /nfs/dbraw/zinc/51/24/81/1064512481.db2.gz WAOXHSBVPUDRIJ-HXUWFJFHSA-N 1 0 462.664 2.632 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291889143 1064513599 /nfs/dbraw/zinc/51/35/99/1064513599.db2.gz RNCJWXFTAHKRRG-TVZXLZGTSA-N 1 0 468.646 2.724 20 0 JFADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890186 1064515357 /nfs/dbraw/zinc/51/53/57/1064515357.db2.gz VLYSRBBSOWUXQM-VWLOTQADSA-N 1 0 481.689 2.905 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291890160 1064515882 /nfs/dbraw/zinc/51/58/82/1064515882.db2.gz BACHBDDYNNSDNV-VWNXMTODSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291891140 1064516645 /nfs/dbraw/zinc/51/66/45/1064516645.db2.gz DCYPTCMXRKYWHN-JOCHJYFZSA-N 1 0 454.619 2.646 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001291891296 1064517134 /nfs/dbraw/zinc/51/71/34/1064517134.db2.gz FCGIUYFUNYEGMJ-TZIWHRDSSA-N 1 0 476.629 2.591 20 0 JFADRO CC[C@@H](c1nnc(N2CCNC(=O)[C@@H]2CC)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001291892733 1064520581 /nfs/dbraw/zinc/52/05/81/1064520581.db2.gz HJHPQEQYMDLVNR-RPWUZVMVSA-N 1 0 481.689 2.808 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291895409 1064526391 /nfs/dbraw/zinc/52/63/91/1064526391.db2.gz VWNSDLJYUDDEPY-DNRBGDKYSA-N 1 0 471.646 2.907 20 0 JFADRO CC[C@@H](c1nnc(N2CCNC(=O)CC2)n1CCCC[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291898677 1064529678 /nfs/dbraw/zinc/52/96/78/1064529678.db2.gz HRJCQAFWJFKCIL-HSZRJFAPSA-N 1 0 467.662 2.564 20 0 JFADRO COCc1nc2sc(C(=O)NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c(C)c2c(OC)n1 ZINC001296269385 1064536373 /nfs/dbraw/zinc/53/63/73/1064536373.db2.gz VMCNEPDXUMVMER-QGZVFWFLSA-N 1 0 456.568 2.651 20 0 JFADRO C[C@@H]1CN(Cc2csc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)n2)C[C@H](C)O1 ZINC001291917565 1064540774 /nfs/dbraw/zinc/54/07/74/1064540774.db2.gz AUEUQYIJMDJOIT-UXLLHSPISA-N 1 0 455.625 2.536 20 0 JFADRO C[C@@H]1CN(Cc2csc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)n2)C[C@@H](C)O1 ZINC001291917564 1064540810 /nfs/dbraw/zinc/54/08/10/1064540810.db2.gz AUEUQYIJMDJOIT-INMHGKMJSA-N 1 0 455.625 2.536 20 0 JFADRO C[C@H](CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+]1CCCCC1 ZINC001296275501 1064545826 /nfs/dbraw/zinc/54/58/26/1064545826.db2.gz XFKOTSFJDDADDZ-OAHLLOKOSA-N 1 0 453.513 2.740 20 0 JFADRO COc1ccc(S(=O)(=O)CCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc1OC ZINC001291927684 1064546935 /nfs/dbraw/zinc/54/69/35/1064546935.db2.gz BBZYAGAVHQVSPL-UHFFFAOYSA-N 1 0 452.617 2.982 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC001296277736 1064547443 /nfs/dbraw/zinc/54/74/43/1064547443.db2.gz JPFMQSLETJNKQK-AVRDEDQJSA-N 1 0 481.645 2.667 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291930841 1064548306 /nfs/dbraw/zinc/54/83/06/1064548306.db2.gz DQINTZZZYSDXLE-WWNPGLIZSA-N 1 0 490.693 2.756 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279790 1064549826 /nfs/dbraw/zinc/54/98/26/1064549826.db2.gz HJKOTQFNUCEAKS-BJKOFHAPSA-N 1 0 451.567 2.918 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279791 1064550169 /nfs/dbraw/zinc/55/01/69/1064550169.db2.gz HJKOTQFNUCEAKS-DNQXCXABSA-N 1 0 451.567 2.918 20 0 JFADRO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001291934854 1064553989 /nfs/dbraw/zinc/55/39/89/1064553989.db2.gz YSCHNGQTIPIYEO-FQEVSTJZSA-N 1 0 489.690 2.582 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001296284282 1064556298 /nfs/dbraw/zinc/55/62/98/1064556298.db2.gz WCLYGEPIVXUYEE-HXUWFJFHSA-N 1 0 475.707 2.978 20 0 JFADRO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291945578 1064560382 /nfs/dbraw/zinc/56/03/82/1064560382.db2.gz MIPQXQPCXAXSDN-IPJJNNNSSA-N 1 0 459.612 2.643 20 0 JFADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC001291948699 1064560822 /nfs/dbraw/zinc/56/08/22/1064560822.db2.gz JURZPYYJYOKZNZ-XXBNENTESA-N 1 0 459.612 2.549 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cccc4cccnc43)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001296288428 1064561453 /nfs/dbraw/zinc/56/14/53/1064561453.db2.gz DVECBIOKWNJLTP-UHFFFAOYSA-N 1 0 492.672 2.870 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1)[NH+](C)C ZINC001291950661 1064561744 /nfs/dbraw/zinc/56/17/44/1064561744.db2.gz CGLKEUBCCCVHAC-AZUAARDMSA-N 1 0 484.711 2.652 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+](C)C ZINC001291951214 1064562885 /nfs/dbraw/zinc/56/28/85/1064562885.db2.gz GVQZVGWRFFPOAY-QGZVFWFLSA-N 1 0 465.046 2.904 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)[NH+](C)C ZINC001291951261 1064562995 /nfs/dbraw/zinc/56/29/95/1064562995.db2.gz FKCKRNOWYAVLMZ-BJKOFHAPSA-N 1 0 467.662 2.880 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291952032 1064564889 /nfs/dbraw/zinc/56/48/89/1064564889.db2.gz HHLREIREQGWBDO-ZWKOTPCHSA-N 1 0 461.014 2.574 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](CC)C(C)C)CC1 ZINC001296289395 1064564894 /nfs/dbraw/zinc/56/48/94/1064564894.db2.gz SSVDFKHQXPFCLA-UHFFFAOYSA-N 1 0 462.042 2.587 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1)[NH+](C)C ZINC001291952554 1064565246 /nfs/dbraw/zinc/56/52/46/1064565246.db2.gz LWLUOLIFFZDQOZ-FPOVZHCZSA-N 1 0 469.634 2.825 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001291954541 1064567979 /nfs/dbraw/zinc/56/79/79/1064567979.db2.gz RQMXXMXHEZKJQM-AZUAARDMSA-N 1 0 458.607 2.650 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CC(C)C)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001296295328 1064571482 /nfs/dbraw/zinc/57/14/82/1064571482.db2.gz PVAIDBYIJXHRNF-FQEVSTJZSA-N 1 0 473.691 2.633 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001291961104 1064573088 /nfs/dbraw/zinc/57/30/88/1064573088.db2.gz BSGQMRYBDLJYQW-BWKNWUBXSA-N 1 0 472.609 2.923 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+](C)C ZINC001291961340 1064573816 /nfs/dbraw/zinc/57/38/16/1064573816.db2.gz HKUPJLVVKULYPR-QFBILLFUSA-N 1 0 456.591 2.707 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCOCC1 ZINC001291961399 1064574323 /nfs/dbraw/zinc/57/43/23/1064574323.db2.gz IITWGNSYKJVPNO-KNQAVFIVSA-N 1 0 484.645 2.758 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001291961998 1064575224 /nfs/dbraw/zinc/57/52/24/1064575224.db2.gz FFGCDOOCJWQCQD-JOCHJYFZSA-N 1 0 491.644 2.527 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001291962014 1064575552 /nfs/dbraw/zinc/57/55/52/1064575552.db2.gz FIPTZFWOXHRCFT-HXUWFJFHSA-N 1 0 451.575 2.903 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001291962951 1064576317 /nfs/dbraw/zinc/57/63/17/1064576317.db2.gz IBQOINSKINLRAV-NRFANRHFSA-N 1 0 456.639 2.796 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001291962911 1064576341 /nfs/dbraw/zinc/57/63/41/1064576341.db2.gz QSPWJZIIBMXBCW-FQEVSTJZSA-N 1 0 466.627 2.532 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291963818 1064577555 /nfs/dbraw/zinc/57/75/55/1064577555.db2.gz STMKMOKSSMFQMZ-AZUAARDMSA-N 1 0 450.653 2.663 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001296298816 1064577561 /nfs/dbraw/zinc/57/75/61/1064577561.db2.gz XZOJGLFOYQTAMB-UHFFFAOYSA-N 1 0 497.688 2.688 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291963825 1064577638 /nfs/dbraw/zinc/57/76/38/1064577638.db2.gz STMKMOKSSMFQMZ-QUCCMNQESA-N 1 0 450.653 2.663 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291966039 1064578970 /nfs/dbraw/zinc/57/89/70/1064578970.db2.gz TWAFLBRVOCJJNM-JOCHJYFZSA-N 1 0 451.623 2.767 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291966229 1064579690 /nfs/dbraw/zinc/57/96/90/1064579690.db2.gz JTDKEAKVPXTRNB-LJQANCHMSA-N 1 0 458.573 2.977 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1)[NH+](C)C ZINC001291966557 1064580313 /nfs/dbraw/zinc/58/03/13/1064580313.db2.gz CIOVIHOBFBLFPU-NHCUHLMSSA-N 1 0 456.639 2.573 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001291966543 1064580448 /nfs/dbraw/zinc/58/04/48/1064580448.db2.gz KLMJPCQIZWMVIP-CYFREDJKSA-N 1 0 459.639 2.727 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001296301984 1064581204 /nfs/dbraw/zinc/58/12/04/1064581204.db2.gz MFZUCZDYRXPNFM-JOCHJYFZSA-N 1 0 498.676 2.975 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001291967222 1064581879 /nfs/dbraw/zinc/58/18/79/1064581879.db2.gz OAKHLHXTMRONQF-PCCBWWKXSA-N 1 0 478.707 2.944 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1)[NH+]1CCOCC1 ZINC001291967292 1064582504 /nfs/dbraw/zinc/58/25/04/1064582504.db2.gz HMWOIGRLKZHXEP-SFTDATJTSA-N 1 0 460.667 2.815 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001296303081 1064583220 /nfs/dbraw/zinc/58/32/20/1064583220.db2.gz ZBFSKGVGPSQDKA-RBUKOAKNSA-N 1 0 473.597 2.893 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001291968237 1064583979 /nfs/dbraw/zinc/58/39/79/1064583979.db2.gz OZCPULMHNJZDLA-XUZZJYLKSA-N 1 0 482.673 2.981 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1)[NH+](C)C ZINC001291968040 1064583993 /nfs/dbraw/zinc/58/39/93/1064583993.db2.gz SULTTYSPTJXMOA-YADHBBJMSA-N 1 0 470.666 2.964 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1)[NH+](C)C ZINC001291968038 1064584082 /nfs/dbraw/zinc/58/40/82/1064584082.db2.gz SULTTYSPTJXMOA-VXKWHMMOSA-N 1 0 470.666 2.964 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)[NH+](C)C ZINC001291968505 1064584436 /nfs/dbraw/zinc/58/44/36/1064584436.db2.gz QAYSGABNLDONIS-MOPGFXCFSA-N 1 0 490.678 2.855 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)[NH+](C)C ZINC001291968506 1064584461 /nfs/dbraw/zinc/58/44/61/1064584461.db2.gz QAYSGABNLDONIS-OALUTQOASA-N 1 0 490.678 2.855 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCOCC1)[NH+]1CCOCC1 ZINC001291968811 1064584663 /nfs/dbraw/zinc/58/46/63/1064584663.db2.gz RTLYMOMTCXNMRY-JOCHJYFZSA-N 1 0 457.619 2.851 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001291968820 1064584846 /nfs/dbraw/zinc/58/48/46/1064584846.db2.gz RWTMXENLSNTMDL-JBACZVJFSA-N 1 0 477.679 2.622 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291969713 1064585992 /nfs/dbraw/zinc/58/59/92/1064585992.db2.gz YBCZAIKMFSJZTL-NBMJBFSESA-N 1 0 457.710 2.877 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291972721 1064587173 /nfs/dbraw/zinc/58/71/73/1064587173.db2.gz CCZCSFATOXTZPJ-XZOQPEGZSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291973053 1064587905 /nfs/dbraw/zinc/58/79/05/1064587905.db2.gz FBWKYPHFQUEICY-OAQYLSRUSA-N 1 0 490.693 2.931 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291973328 1064587979 /nfs/dbraw/zinc/58/79/79/1064587979.db2.gz GLSKCGDUMGAGQC-MOPGFXCFSA-N 1 0 453.678 2.920 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001296307855 1064588864 /nfs/dbraw/zinc/58/88/64/1064588864.db2.gz QDVXCYUOOFORQF-HXUWFJFHSA-N 1 0 485.633 2.688 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC[NH+]2CCCCC2)CC1 ZINC001296308270 1064589235 /nfs/dbraw/zinc/58/92/35/1064589235.db2.gz VNRDIPVDEQCNAI-UHFFFAOYSA-N 1 0 476.025 2.945 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291975069 1064589661 /nfs/dbraw/zinc/58/96/61/1064589661.db2.gz QHBSJSHGIVSHMC-RTWAWAEBSA-N 1 0 487.674 2.506 20 0 JFADRO CCC(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291975639 1064590870 /nfs/dbraw/zinc/59/08/70/1064590870.db2.gz WVJCEQLHUQOMLB-RBBKRZOGSA-N 1 0 469.634 2.746 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001296310024 1064590966 /nfs/dbraw/zinc/59/09/66/1064590966.db2.gz LCFJWXHWCYUJPL-LJQANCHMSA-N 1 0 457.623 2.782 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001296310960 1064591243 /nfs/dbraw/zinc/59/12/43/1064591243.db2.gz OWHNROOAIDQHEW-OAQYLSRUSA-N 1 0 455.607 2.709 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975810 1064591827 /nfs/dbraw/zinc/59/18/27/1064591827.db2.gz ZQSMPEHYMKYYOY-JTHBVZDNSA-N 1 0 484.645 2.790 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296312218 1064592326 /nfs/dbraw/zinc/59/23/26/1064592326.db2.gz VMQIRMCDRQLPLR-WOJBJXKFSA-N 1 0 469.634 2.926 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)on1 ZINC001291976761 1064592842 /nfs/dbraw/zinc/59/28/42/1064592842.db2.gz IUCLTKLRDMJNGY-XYJFISCASA-N 1 0 479.651 2.501 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)on1 ZINC001291976755 1064592888 /nfs/dbraw/zinc/59/28/88/1064592888.db2.gz IUCLTKLRDMJNGY-BQFCYCMXSA-N 1 0 479.651 2.501 20 0 JFADRO CCC(CC)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001291977402 1064593243 /nfs/dbraw/zinc/59/32/43/1064593243.db2.gz IYRPFLDXPCLCRF-UYAOXDASSA-N 1 0 473.597 2.576 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)on1 ZINC001291979330 1064594332 /nfs/dbraw/zinc/59/43/32/1064594332.db2.gz ZRRBQJKRLJIEPP-QGZVFWFLSA-N 1 0 493.678 2.893 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001296316486 1064597495 /nfs/dbraw/zinc/59/74/95/1064597495.db2.gz YNBZHHWKKNAMKU-KRWDZBQOSA-N 1 0 463.577 2.729 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296316388 1064597547 /nfs/dbraw/zinc/59/75/47/1064597547.db2.gz WTAGHZHWFDYTJF-UNMCSNQZSA-N 1 0 453.635 2.993 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CC1 ZINC001291985614 1064597529 /nfs/dbraw/zinc/59/75/29/1064597529.db2.gz BMIWLTNHKRSLDK-NRFANRHFSA-N 1 0 454.619 2.822 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001296317349 1064599130 /nfs/dbraw/zinc/59/91/30/1064599130.db2.gz MTERNOIPNGUBEV-UHFFFAOYSA-N 1 0 459.664 2.904 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC[NH+]2CCCC2)CC1 ZINC001296318066 1064601108 /nfs/dbraw/zinc/60/11/08/1064601108.db2.gz FGGDONVBLNLKLC-UHFFFAOYSA-N 1 0 469.634 2.811 20 0 JFADRO Cc1cc(=O)c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001296323245 1064605859 /nfs/dbraw/zinc/60/58/59/1064605859.db2.gz NYTJDFYNJNOYNW-MRXNPFEDSA-N 1 0 452.477 2.790 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001296324493 1064609262 /nfs/dbraw/zinc/60/92/62/1064609262.db2.gz BSPVBBSUSLCIEW-FQEVSTJZSA-N 1 0 480.704 2.893 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC001296324496 1064609268 /nfs/dbraw/zinc/60/92/68/1064609268.db2.gz BSPVBBSUSLCIEW-HXUWFJFHSA-N 1 0 480.704 2.893 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001296328312 1064623294 /nfs/dbraw/zinc/62/32/94/1064623294.db2.gz BAZLFRCMJGXYDB-UWJYYQICSA-N 1 0 460.648 2.508 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001292008665 1064630424 /nfs/dbraw/zinc/63/04/24/1064630424.db2.gz CKVNNWMNSKOXGP-VWLOTQADSA-N 1 0 467.618 2.771 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001292013866 1064642850 /nfs/dbraw/zinc/64/28/50/1064642850.db2.gz NYAPIXLIPCDOGK-CEMLEFRQSA-N 1 0 487.693 2.956 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001292018728 1064654836 /nfs/dbraw/zinc/65/48/36/1064654836.db2.gz YIXOGHBBFFMDDC-TUACAJSNSA-N 1 0 497.688 2.656 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020473 1064659434 /nfs/dbraw/zinc/65/94/34/1064659434.db2.gz HQSKIWUHQLYHIC-ROUUACIJSA-N 1 0 487.624 2.685 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001292020862 1064661022 /nfs/dbraw/zinc/66/10/22/1064661022.db2.gz HTKJKAMMHOJKKN-RLSLOFABSA-N 1 0 476.666 2.703 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292022819 1064665811 /nfs/dbraw/zinc/66/58/11/1064665811.db2.gz MBATYWSNGJFRRT-QRVBRYPASA-N 1 0 465.712 2.553 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001292023313 1064669097 /nfs/dbraw/zinc/66/90/97/1064669097.db2.gz OUKJUVNGZRFWKB-MZFHRINRSA-N 1 0 478.682 2.946 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001292024743 1064674074 /nfs/dbraw/zinc/67/40/74/1064674074.db2.gz SZEJFHJXAUUXTK-RXFWQSSRSA-N 1 0 484.645 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCC[NH+]1CCCCC1 ZINC001292025301 1064675460 /nfs/dbraw/zinc/67/54/60/1064675460.db2.gz VXSXKLYFCUVNRD-HXUWFJFHSA-N 1 0 476.666 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001292025704 1064677643 /nfs/dbraw/zinc/67/76/43/1064677643.db2.gz XOZDXZJDTKQAIC-HOYKHHGWSA-N 1 0 464.655 2.559 20 0 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CCC(CC)NC(=O)c1nnc(N2CC[C@@H](COC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001292055475 1064724194 /nfs/dbraw/zinc/72/41/94/1064724194.db2.gz LWNDIHMMWYPYMH-LJQANCHMSA-N 1 0 468.646 2.768 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1Cc1ccc(OC)nc1 ZINC001292062319 1064731791 /nfs/dbraw/zinc/73/17/91/1064731791.db2.gz PVAAPQYKXPFQOT-HXUWFJFHSA-N 1 0 455.607 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1CC1CCN(C(=O)OC)CC1 ZINC001292062603 1064732811 /nfs/dbraw/zinc/73/28/11/1064732811.db2.gz ZAOHNYOAXHKWMB-UHFFFAOYSA-N 1 0 491.681 2.986 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001292062996 1064735128 /nfs/dbraw/zinc/73/51/28/1064735128.db2.gz KGMBYSSXSOKXCK-PKOBYXMFSA-N 1 0 489.665 2.784 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ccc(F)cc1 ZINC001292063466 1064737078 /nfs/dbraw/zinc/73/70/78/1064737078.db2.gz UJIHGATZIKWSJX-HSZRJFAPSA-N 1 0 485.652 2.989 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H]1CC1(C)C ZINC001292063671 1064737756 /nfs/dbraw/zinc/73/77/56/1064737756.db2.gz XKIBCBYLUYIWIQ-CTNGQTDRSA-N 1 0 459.683 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1Cc1ccc(F)cc1F ZINC001292063687 1064737809 /nfs/dbraw/zinc/73/78/09/1064737809.db2.gz XTEZNQZQTBLLLW-OAQYLSRUSA-N 1 0 489.615 2.739 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1ccc(OC)c(O)c1 ZINC001292066515 1064744163 /nfs/dbraw/zinc/74/41/63/1064744163.db2.gz MISAQTVEWZLSBD-UHFFFAOYSA-N 1 0 458.607 2.926 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292067712 1064747277 /nfs/dbraw/zinc/74/72/77/1064747277.db2.gz XYIBOLNMDITALB-MRXNPFEDSA-N 1 0 460.545 2.574 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072394 1064751282 /nfs/dbraw/zinc/75/12/82/1064751282.db2.gz RALXRFIMTJUAOG-JLCFBVMHSA-N 1 0 452.958 2.873 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001292077141 1064759047 /nfs/dbraw/zinc/75/90/47/1064759047.db2.gz WPVDIUIZWAHQSI-QFQXNSOFSA-N 1 0 481.645 2.524 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001292079361 1064762681 /nfs/dbraw/zinc/76/26/81/1064762681.db2.gz REKARVMYGYCPPI-HOJAQTOUSA-N 1 0 476.622 2.679 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(OC)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292083926 1064766186 /nfs/dbraw/zinc/76/61/86/1064766186.db2.gz GLNOBKVZYOIKFX-NBGIEHNGSA-N 1 0 477.698 2.618 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CC(C)(C)C[NH+](C)C ZINC001292089440 1064773581 /nfs/dbraw/zinc/77/35/81/1064773581.db2.gz JXYBTENMROCBSQ-FQEVSTJZSA-N 1 0 473.670 2.834 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCNC(=O)c1ccccc1F ZINC001292091917 1064779457 /nfs/dbraw/zinc/77/94/57/1064779457.db2.gz WVIYLCDICSDNBB-HXUWFJFHSA-N 1 0 499.635 2.830 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001292094233 1064783713 /nfs/dbraw/zinc/78/37/13/1064783713.db2.gz ITJGMVLQXDBOAY-RBBKRZOGSA-N 1 0 476.666 2.560 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CC1([NH+](C)C)CCC1 ZINC001292094271 1064784398 /nfs/dbraw/zinc/78/43/98/1064784398.db2.gz JXEFXHIPFOIZNR-SFHVURJKSA-N 1 0 456.639 2.798 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1CC1([NH+](C)C)CCC1 ZINC001292094392 1064784432 /nfs/dbraw/zinc/78/44/32/1064784432.db2.gz KCZADLIEOMULPF-FQEVSTJZSA-N 1 0 485.681 2.806 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292094957 1064786032 /nfs/dbraw/zinc/78/60/32/1064786032.db2.gz RNDRPJHKISZUJJ-FUHWJXTLSA-N 1 0 458.611 2.756 20 0 JFADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292097932 1064789115 /nfs/dbraw/zinc/78/91/15/1064789115.db2.gz OBLWJFSYWBKBHT-WSTZPKSXSA-N 1 0 454.656 2.915 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCc1scnc1C ZINC001292105471 1064798990 /nfs/dbraw/zinc/79/89/90/1064798990.db2.gz LGZWHLQHQQDWMI-UHFFFAOYSA-N 1 0 499.689 2.650 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001292105622 1064799530 /nfs/dbraw/zinc/79/95/30/1064799530.db2.gz NMODNNUUDASXQX-LJQANCHMSA-N 1 0 462.639 2.660 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001292105817 1064800504 /nfs/dbraw/zinc/80/05/04/1064800504.db2.gz PJNZXKDSILFMMN-SANMLTNESA-N 1 0 499.635 2.526 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001292109205 1064806873 /nfs/dbraw/zinc/80/68/73/1064806873.db2.gz GESBKPPTSXHQBK-GGAORHGYSA-N 1 0 489.709 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292110868 1064817631 /nfs/dbraw/zinc/81/76/31/1064817631.db2.gz OCVGFBJHNKSRBE-JOCHJYFZSA-N 1 0 499.635 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292117225 1064842569 /nfs/dbraw/zinc/84/25/69/1064842569.db2.gz ZGMBEBWJUSSLQI-FQEVSTJZSA-N 1 0 483.661 2.874 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1CCc1ccc2c(c1)CCO2 ZINC001292117417 1064844380 /nfs/dbraw/zinc/84/43/80/1064844380.db2.gz WHOMVPDBZMYESE-UHFFFAOYSA-N 1 0 454.619 2.905 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292121662 1064852362 /nfs/dbraw/zinc/85/23/62/1064852362.db2.gz DREGYXZHTCOGKE-HXUWFJFHSA-N 1 0 497.692 2.742 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001292122493 1064857792 /nfs/dbraw/zinc/85/77/92/1064857792.db2.gz SJXHKPRDAQACKC-UHFFFAOYSA-N 1 0 497.692 2.804 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1Cc1cnn(C)c1C ZINC001292123466 1064861658 /nfs/dbraw/zinc/86/16/58/1064861658.db2.gz FEIXGZBYEIYPLW-LJQANCHMSA-N 1 0 478.645 2.997 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1Cc1nnc(C)s1 ZINC001292125117 1064867817 /nfs/dbraw/zinc/86/78/17/1064867817.db2.gz HYLDGVLMLJGCKX-UHFFFAOYSA-N 1 0 460.652 2.859 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(C)(C)SC ZINC001292125377 1064869372 /nfs/dbraw/zinc/86/93/72/1064869372.db2.gz CENVXEHFHASDJR-UHFFFAOYSA-N 1 0 466.696 2.887 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292125761 1064871595 /nfs/dbraw/zinc/87/15/95/1064871595.db2.gz LMLNPHWUIHSJQT-WOJBJXKFSA-N 1 0 475.682 2.622 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1cccs1 ZINC001292126391 1064875060 /nfs/dbraw/zinc/87/50/60/1064875060.db2.gz OHCDIUSPNBYDFP-QGZVFWFLSA-N 1 0 460.648 2.996 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001292126249 1064875189 /nfs/dbraw/zinc/87/51/89/1064875189.db2.gz ZWHGJBKGWNJFEP-HNNXBMFYSA-N 1 0 465.549 2.772 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCC1(O)CCOCC1 ZINC001292126631 1064876369 /nfs/dbraw/zinc/87/63/69/1064876369.db2.gz MVDXSBKHVAASJE-UHFFFAOYSA-N 1 0 478.682 2.686 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccn(CC)c1=O ZINC001292126688 1064876890 /nfs/dbraw/zinc/87/68/90/1064876890.db2.gz SDUWEOPXJQFUFF-IBGZPJMESA-N 1 0 483.661 2.737 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292126680 1064877006 /nfs/dbraw/zinc/87/70/06/1064877006.db2.gz NJZHSAOVELMGHX-GMAHTHKFSA-N 1 0 489.709 2.618 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H]1CCO[C@@H]1C(C)C ZINC001292126874 1064878073 /nfs/dbraw/zinc/87/80/73/1064878073.db2.gz QWNGTXXSKBHOFK-JTHBVZDNSA-N 1 0 490.693 2.806 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H]1CCCO1 ZINC001292127071 1064879894 /nfs/dbraw/zinc/87/98/94/1064879894.db2.gz USWDLAVONYRWSM-JOCHJYFZSA-N 1 0 454.619 2.740 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001292127119 1064880456 /nfs/dbraw/zinc/88/04/56/1064880456.db2.gz WPPZULBDJJIJHN-QGZVFWFLSA-N 1 0 477.654 2.642 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)SC ZINC001292127143 1064880506 /nfs/dbraw/zinc/88/05/06/1064880506.db2.gz XULVLHVXDHTEGY-SJORKVTESA-N 1 0 452.669 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[C@@H](OC)C(F)(F)F ZINC001292134535 1064894733 /nfs/dbraw/zinc/89/47/33/1064894733.db2.gz SZTJFHFWRZJJHX-IAGOWNOFSA-N 1 0 460.545 2.838 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001292135494 1064900650 /nfs/dbraw/zinc/90/06/50/1064900650.db2.gz LYUVBMOLPISNHH-PXDATVDWSA-N 1 0 486.665 2.556 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001292137118 1064904782 /nfs/dbraw/zinc/90/47/82/1064904782.db2.gz LCSXDUKBNHVVHI-NRFANRHFSA-N 1 0 483.661 2.634 20 0 JFADRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1ccccc1O2 ZINC001292140110 1064909120 /nfs/dbraw/zinc/90/91/20/1064909120.db2.gz OSRUPKYWTYEKBF-ZIYFGUEUSA-N 1 0 459.587 2.757 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292145273 1064919086 /nfs/dbraw/zinc/91/90/86/1064919086.db2.gz SZDFLSSHMZBEIN-FCEUIQTBSA-N 1 0 476.666 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292154295 1064933790 /nfs/dbraw/zinc/93/37/90/1064933790.db2.gz UTUFYEVWYHNPED-OALUTQOASA-N 1 0 477.654 2.640 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292160758 1064943840 /nfs/dbraw/zinc/94/38/40/1064943840.db2.gz UDKRLWVHFZHVAC-AQNXPRMDSA-N 1 0 489.665 2.738 20 0 JFADRO CCC(CC)NC(=O)c1nnc(Nc2ccn(C)n2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001292160948 1064944826 /nfs/dbraw/zinc/94/48/26/1064944826.db2.gz WSXQELOEYWBLKB-OAQYLSRUSA-N 1 0 480.617 2.965 20 0 JFADRO CCC(CC)NC(=O)c1nnc(Nc2ccn(C)n2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001292160947 1064944866 /nfs/dbraw/zinc/94/48/66/1064944866.db2.gz WSXQELOEYWBLKB-NRFANRHFSA-N 1 0 480.617 2.965 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292162279 1064947402 /nfs/dbraw/zinc/94/74/02/1064947402.db2.gz KEKIZQIABIBGQA-RBUKOAKNSA-N 1 0 477.654 2.736 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162959 1064948675 /nfs/dbraw/zinc/94/86/75/1064948675.db2.gz LQOOUBHVYCXSAM-VQTJNVASSA-N 1 0 488.608 2.572 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001292164681 1064950703 /nfs/dbraw/zinc/95/07/03/1064950703.db2.gz RHJBZCBQQMGRDQ-RTBURBONSA-N 1 0 477.654 2.736 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCC1 ZINC001292165472 1064952199 /nfs/dbraw/zinc/95/21/99/1064952199.db2.gz VMYBWOOGWKDNEY-FYYLOGMGSA-N 1 0 495.672 2.937 20 0 JFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNS(=O)(=O)c1cccnc1 ZINC001292166396 1064954278 /nfs/dbraw/zinc/95/42/78/1064954278.db2.gz MMUBNSYGWLGCQP-UHFFFAOYSA-N 1 0 459.399 2.647 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1)[NH+]1CCCC1 ZINC001292170816 1064956444 /nfs/dbraw/zinc/95/64/44/1064956444.db2.gz DSKAETSCRWGAGZ-YFVAEKQCSA-N 1 0 478.638 2.896 20 0 JFADRO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+]1CCCC1 ZINC001292173315 1064961708 /nfs/dbraw/zinc/96/17/08/1064961708.db2.gz MTKUZHSCKWBIRG-XLIONFOSSA-N 1 0 478.638 2.773 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC001292176640 1064967343 /nfs/dbraw/zinc/96/73/43/1064967343.db2.gz QSXMQXVKJIDKSZ-UHFFFAOYSA-N 1 0 452.640 2.576 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC001292176824 1064967896 /nfs/dbraw/zinc/96/78/96/1064967896.db2.gz SSUHDORPZJLAJH-UHFFFAOYSA-N 1 0 456.631 2.869 20 0 JFADRO CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCC1 ZINC001292176849 1064967909 /nfs/dbraw/zinc/96/79/09/1064967909.db2.gz UKGWLFSJPGDQSA-UHFFFAOYSA-N 1 0 452.640 2.719 20 0 JFADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292178672 1064969043 /nfs/dbraw/zinc/96/90/43/1064969043.db2.gz GHLAMOSITKWPDF-DENIHFKCSA-N 1 0 491.658 2.850 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292178674 1064969140 /nfs/dbraw/zinc/96/91/40/1064969140.db2.gz GHLAMOSITKWPDF-SIKLNZKXSA-N 1 0 491.658 2.850 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)OC ZINC001292181243 1064971804 /nfs/dbraw/zinc/97/18/04/1064971804.db2.gz SEXNDNTXMBFDTN-WBVHZDCISA-N 1 0 467.412 2.619 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1)[NH+]1CCCC1 ZINC001292181679 1064972250 /nfs/dbraw/zinc/97/22/50/1064972250.db2.gz VKJLYTAQYHTDBV-SFHVURJKSA-N 1 0 480.455 2.679 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292186920 1064978764 /nfs/dbraw/zinc/97/87/64/1064978764.db2.gz UDJCBYJQPSAWDC-PZJWPPBQSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C)[NH+]1CCCC1 ZINC001292190142 1064981587 /nfs/dbraw/zinc/98/15/87/1064981587.db2.gz BDZFLGALTNIBQR-LJQANCHMSA-N 1 0 456.591 2.552 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292193178 1064985859 /nfs/dbraw/zinc/98/58/59/1064985859.db2.gz PTAAKDJIWBTWEW-IAGOWNOFSA-N 1 0 491.434 2.902 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001292194743 1064987108 /nfs/dbraw/zinc/98/71/08/1064987108.db2.gz DHZPESQIDLZWPY-VQIMIIECSA-N 1 0 491.434 2.533 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCOC)CC1)[NH+]1CCCC1 ZINC001292196247 1064988247 /nfs/dbraw/zinc/98/82/47/1064988247.db2.gz UNHFDELMHSMXSI-QFIPXVFZSA-N 1 0 454.619 2.799 20 0 JFADRO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCOC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001292208139 1064996877 /nfs/dbraw/zinc/99/68/77/1064996877.db2.gz NYZDAKTUKVJYLY-IBGZPJMESA-N 1 0 488.637 2.585 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001292222919 1065009334 /nfs/dbraw/zinc/00/93/34/1065009334.db2.gz GXLZTJNZZAITAH-PMACEKPBSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001292222921 1065009698 /nfs/dbraw/zinc/00/96/98/1065009698.db2.gz GXLZTJNZZAITAH-VQTJNVASSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001292226985 1065014784 /nfs/dbraw/zinc/01/47/84/1065014784.db2.gz VAJQJHSNYDJFCI-GMAHTHKFSA-N 1 0 468.646 2.966 20 0 JFADRO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001292229627 1065016982 /nfs/dbraw/zinc/01/69/82/1065016982.db2.gz GQGWFXOZSQAPKZ-JOCHJYFZSA-N 1 0 488.080 2.607 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001292237052 1065021462 /nfs/dbraw/zinc/02/14/62/1065021462.db2.gz SAGQVLSNWYBZEF-IEBWSBKVSA-N 1 0 479.551 2.643 20 0 JFADRO CC[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC001292245334 1065028668 /nfs/dbraw/zinc/02/86/68/1065028668.db2.gz YLBQCJZICVXDKR-QHCPKHFHSA-N 1 0 455.651 2.684 20 0 JFADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292255413 1065037977 /nfs/dbraw/zinc/03/79/77/1065037977.db2.gz NHIBJNBJBXQUMI-ZRNYENFQSA-N 1 0 489.665 2.625 20 0 JFADRO CC[C@H](Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292256412 1065038851 /nfs/dbraw/zinc/03/88/51/1065038851.db2.gz UKJSAHWNNQOSLB-DCLXLUIPSA-N 1 0 463.623 2.583 20 0 JFADRO CC[C@H](Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292256415 1065038867 /nfs/dbraw/zinc/03/88/67/1065038867.db2.gz UKJSAHWNNQOSLB-ROKPMTFOSA-N 1 0 463.623 2.583 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292261797 1065040913 /nfs/dbraw/zinc/04/09/13/1065040913.db2.gz KKXONSJBNQARQA-MTQWCTHYSA-N 1 0 467.680 2.694 20 0 JFADRO CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001292265810 1065045590 /nfs/dbraw/zinc/04/55/90/1065045590.db2.gz CZSXVXVWCWSFAN-VQTJNVASSA-N 1 0 484.711 2.532 20 0 JFADRO CCC(O)(CC)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001292280719 1065055551 /nfs/dbraw/zinc/05/55/51/1065055551.db2.gz XFHUFFPFNQCJBK-UHFFFAOYSA-N 1 0 477.679 2.567 20 0 JFADRO CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292280772 1065055642 /nfs/dbraw/zinc/05/56/42/1065055642.db2.gz YRVWKLPIOPCKIF-LEWJYISDSA-N 1 0 454.619 2.881 20 0 JFADRO CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)O1 ZINC001292298223 1065069158 /nfs/dbraw/zinc/06/91/58/1065069158.db2.gz UWCFHNPFNUEYIW-BTKWVRSESA-N 1 0 489.709 2.759 20 0 JFADRO O=C(C[C@@H](n1ccnc1)C(F)(F)F)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309958 1065078188 /nfs/dbraw/zinc/07/81/88/1065078188.db2.gz ZYBMQLQMMZWREP-RBUKOAKNSA-N 1 0 450.509 2.832 20 0 JFADRO CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC001292315811 1065082728 /nfs/dbraw/zinc/08/27/28/1065082728.db2.gz AMDSLOSPAAMQQD-SQJMNOBHSA-N 1 0 454.619 2.658 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001292332291 1065088467 /nfs/dbraw/zinc/08/84/67/1065088467.db2.gz RHPMOUKFVOPDLF-YZUZCNPQSA-N 1 0 496.722 2.892 20 0 JFADRO CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC001292343282 1065091897 /nfs/dbraw/zinc/09/18/97/1065091897.db2.gz JXPURXFOLACHFI-AREMUKBSSA-N 1 0 493.612 2.919 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001292344877 1065093161 /nfs/dbraw/zinc/09/31/61/1065093161.db2.gz BYAXKVCYCOYPFP-WMZHIEFXSA-N 1 0 484.711 2.652 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001292352239 1065096904 /nfs/dbraw/zinc/09/69/04/1065096904.db2.gz FVKMQVMUHFEVDZ-KBMIEXCESA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001292372186 1065115724 /nfs/dbraw/zinc/11/57/24/1065115724.db2.gz ZLBIAKBXDDSTAW-NFBKMPQASA-N 1 0 467.680 2.842 20 0 JFADRO CC[C@@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001292372189 1065116455 /nfs/dbraw/zinc/11/64/55/1065116455.db2.gz ZLBIAKBXDDSTAW-REWPJTCUSA-N 1 0 467.680 2.842 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001292377468 1065120142 /nfs/dbraw/zinc/12/01/42/1065120142.db2.gz ZTFCCAHXBQKAFR-QQQKFWQGSA-N 1 0 479.666 2.895 20 0 JFADRO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001292413980 1065148462 /nfs/dbraw/zinc/14/84/62/1065148462.db2.gz PNRGOSQXHNTZEJ-ONTIZHBOSA-N 1 0 476.666 2.571 20 0 JFADRO CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC001292414754 1065148486 /nfs/dbraw/zinc/14/84/86/1065148486.db2.gz UABLTYCMXCUNFM-RTBURBONSA-N 1 0 452.669 2.923 20 0 JFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC001292439295 1065166891 /nfs/dbraw/zinc/16/68/91/1065166891.db2.gz DHIQGMPTHMTBLX-UHFFFAOYSA-N 1 0 456.374 2.979 20 0 JFADRO CCOC(=O)c1cnn(-c2ccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc2)c1C ZINC001292440492 1065167406 /nfs/dbraw/zinc/16/74/06/1065167406.db2.gz VVAPDVHTNAZLKQ-UHFFFAOYSA-N 1 0 458.559 2.703 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)NC)CC2)[NH+](C)C)cc1 ZINC001292456952 1065178367 /nfs/dbraw/zinc/17/83/67/1065178367.db2.gz HXYRAZHBULORSC-JOCHJYFZSA-N 1 0 462.602 2.667 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C)n3)C2)[NH+](C)C)cc1 ZINC001292457710 1065179527 /nfs/dbraw/zinc/17/95/27/1065179527.db2.gz LIDNAGWRRDLYDX-LEWJYISDSA-N 1 0 496.616 2.551 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC001292458324 1065180888 /nfs/dbraw/zinc/18/08/88/1065180888.db2.gz ORTVHVCQHKEMCU-FCEUIQTBSA-N 1 0 454.619 2.957 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)[NH+](C)C)cc1 ZINC001292458307 1065180936 /nfs/dbraw/zinc/18/09/36/1065180936.db2.gz OOCYJXSOPGCPMK-JOCHJYFZSA-N 1 0 477.613 2.945 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC001292458449 1065182236 /nfs/dbraw/zinc/18/22/36/1065182236.db2.gz OYSVKEHNWMLQAQ-FCHUYYIVSA-N 1 0 464.618 2.855 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC001292458695 1065182960 /nfs/dbraw/zinc/18/29/60/1065182960.db2.gz AOWFXKAPQWYHNS-JOCHJYFZSA-N 1 0 474.675 2.883 20 0 JFADRO CCc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001292458988 1065183723 /nfs/dbraw/zinc/18/37/23/1065183723.db2.gz UCYMVOFZIILITF-JOCHJYFZSA-N 1 0 456.635 2.825 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCOC3(CCOCC3)C2)[NH+](C)C)cc1 ZINC001292459435 1065184792 /nfs/dbraw/zinc/18/47/92/1065184792.db2.gz VAXFGFGEJWMIAJ-QFIPXVFZSA-N 1 0 484.645 2.667 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC001292460431 1065187800 /nfs/dbraw/zinc/18/78/00/1065187800.db2.gz XDSSFYIVFJRJSF-JTHBVZDNSA-N 1 0 495.672 2.777 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC001292460428 1065187845 /nfs/dbraw/zinc/18/78/45/1065187845.db2.gz XDSSFYIVFJRJSF-FYYLOGMGSA-N 1 0 495.672 2.777 20 0 JFADRO CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)[NH+](C)C)cc1 ZINC001292461018 1065189668 /nfs/dbraw/zinc/18/96/68/1065189668.db2.gz KYWUVFUYPHTCDP-DEOSSOPVSA-N 1 0 497.688 2.916 20 0 JFADRO CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC001292461529 1065190969 /nfs/dbraw/zinc/19/09/69/1065190969.db2.gz OOLDGPMBFLVCIW-XZOQPEGZSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292462117 1065191044 /nfs/dbraw/zinc/19/10/44/1065191044.db2.gz QZNNYCMQYYPMQP-FAWUNYRSSA-N 1 0 498.672 2.830 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292462119 1065191057 /nfs/dbraw/zinc/19/10/57/1065191057.db2.gz QZNNYCMQYYPMQP-GIRPNKPCSA-N 1 0 498.672 2.830 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)[NH+](C)C)cc1 ZINC001292462393 1065191469 /nfs/dbraw/zinc/19/14/69/1065191469.db2.gz RXSVMNUYORSNRY-XZOQPEGZSA-N 1 0 468.646 3.000 20 0 JFADRO CCc1ccc(-c2nnc(N(CC)CCS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292476731 1065200738 /nfs/dbraw/zinc/20/07/38/1065200738.db2.gz NDLSXCPBVLXPBH-UHFFFAOYSA-N 1 0 477.675 2.614 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001292484482 1065206109 /nfs/dbraw/zinc/20/61/09/1065206109.db2.gz JNUXHMZSULQMTG-CRAIPNDOSA-N 1 0 452.525 2.962 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001292488931 1065210622 /nfs/dbraw/zinc/21/06/22/1065210622.db2.gz UXDNFIUJXFNMTB-CLOONOSVSA-N 1 0 454.619 2.710 20 0 JFADRO COc1cc(C(=O)NCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc(OC)c1OC ZINC001292498472 1065218572 /nfs/dbraw/zinc/21/85/72/1065218572.db2.gz RMEJGACNHDXNJI-UHFFFAOYSA-N 1 0 456.543 2.587 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@H](C)CC)CC3)n2C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC001292518156 1065241363 /nfs/dbraw/zinc/24/13/63/1065241363.db2.gz OBBNZVDKLDWICR-FYYLOGMGSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CCC[NH+]2CCCC2)cc1 ZINC001292518506 1065242673 /nfs/dbraw/zinc/24/26/73/1065242673.db2.gz SRMCSNQJRVNMSJ-UHFFFAOYSA-N 1 0 467.662 2.640 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001292518726 1065243521 /nfs/dbraw/zinc/24/35/21/1065243521.db2.gz WUVNHJKGZZWMCM-NRFANRHFSA-N 1 0 499.729 2.593 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001292524092 1065248692 /nfs/dbraw/zinc/24/86/92/1065248692.db2.gz AMEHTSZTIATVDH-SIKLNZKXSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2CCC[NH+]2CCC(C)CC2)cc1 ZINC001292526481 1065252873 /nfs/dbraw/zinc/25/28/73/1065252873.db2.gz LLHWNJZERHUCMJ-DEOSSOPVSA-N 1 0 468.646 2.971 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@]4(CCO[C@@H]4C)C3)n2CCC[N@H+](C)CCOC)cc1 ZINC001292528150 1065254230 /nfs/dbraw/zinc/25/42/30/1065254230.db2.gz PMFOBHFKYGTWOY-NLFFAJNJSA-N 1 0 457.619 2.860 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@@H]4C)C3)n2CCC[N@H+](C)CCOC)cc1 ZINC001292528146 1065254279 /nfs/dbraw/zinc/25/42/79/1065254279.db2.gz PMFOBHFKYGTWOY-CJFMBICVSA-N 1 0 457.619 2.860 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](CC(=O)OC)[C@H](O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001292533270 1065256454 /nfs/dbraw/zinc/25/64/54/1065256454.db2.gz ZMKNKKFVXXIJOK-WWPVKYPJSA-N 1 0 469.630 2.990 20 0 JFADRO CCc1nnc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292542992 1065264858 /nfs/dbraw/zinc/26/48/58/1065264858.db2.gz ZNQDIGKAZDVBEZ-XZOQPEGZSA-N 1 0 468.646 2.924 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cccn2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292575574 1065284792 /nfs/dbraw/zinc/28/47/92/1065284792.db2.gz CACQMKXOCXSNAQ-UHFFFAOYSA-N 1 0 492.672 2.947 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001292578134 1065290046 /nfs/dbraw/zinc/29/00/46/1065290046.db2.gz DOYBLVDGTQRUDE-LJQANCHMSA-N 1 0 453.635 2.819 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001292579010 1065292150 /nfs/dbraw/zinc/29/21/50/1065292150.db2.gz NBKNVQPLVSTAOD-NRFANRHFSA-N 1 0 490.656 2.537 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292579390 1065293853 /nfs/dbraw/zinc/29/38/53/1065293853.db2.gz UQQIPUPEUXECFV-IFMALSPDSA-N 1 0 484.645 2.920 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001292590015 1065306933 /nfs/dbraw/zinc/30/69/33/1065306933.db2.gz JMOODDZPFPJTNG-NNPDTBDGSA-N 1 0 456.587 2.970 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001292599330 1065319619 /nfs/dbraw/zinc/31/96/19/1065319619.db2.gz SZEGODOTWNMFLK-IBGZPJMESA-N 1 0 452.607 2.878 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@@H](C)[NH+](CC)CC ZINC001292600372 1065321863 /nfs/dbraw/zinc/32/18/63/1065321863.db2.gz FSEMGUHYLGFGGM-LJQANCHMSA-N 1 0 479.629 2.806 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292604434 1065329398 /nfs/dbraw/zinc/32/93/98/1065329398.db2.gz UUKIPRHTACOOGM-WOJBJXKFSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001292609575 1065336003 /nfs/dbraw/zinc/33/60/03/1065336003.db2.gz DTQCXHWDNRPBTJ-FQEVSTJZSA-N 1 0 454.619 2.818 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1C[C@@H](C)[NH+](CC)CC ZINC001292614349 1065343549 /nfs/dbraw/zinc/34/35/49/1065343549.db2.gz ILLMEDVOHAFVDR-QUCCMNQESA-N 1 0 456.591 2.791 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001292614591 1065345006 /nfs/dbraw/zinc/34/50/06/1065345006.db2.gz GMXFDMWFISWJNU-LJQANCHMSA-N 1 0 454.619 2.961 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292615047 1065346936 /nfs/dbraw/zinc/34/69/36/1065346936.db2.gz QRMPPRAVNCZTBH-JOCHJYFZSA-N 1 0 498.672 2.977 20 0 JFADRO O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001292615228 1065347869 /nfs/dbraw/zinc/34/78/69/1065347869.db2.gz BPNGOXGUISQGMP-UHFFFAOYSA-N 1 0 450.377 2.737 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292619888 1065356576 /nfs/dbraw/zinc/35/65/76/1065356576.db2.gz RANWDDAPWNIKEC-PUHATCMVSA-N 1 0 498.672 2.569 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001292620236 1065357341 /nfs/dbraw/zinc/35/73/41/1065357341.db2.gz ZYBGWZWKERMSPS-FQEVSTJZSA-N 1 0 475.659 2.775 20 0 JFADRO CCc1cnc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001292626196 1065362983 /nfs/dbraw/zinc/36/29/83/1065362983.db2.gz XHUKNFOQSXMYKD-UHFFFAOYSA-N 1 0 454.604 2.717 20 0 JFADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636180 1065374022 /nfs/dbraw/zinc/37/40/22/1065374022.db2.gz RABCDIPTOSEPCI-KDOFPFPSSA-N 1 0 455.386 2.723 20 0 JFADRO CCc1cnc(CN(C)c2nnc(CCc3ccc(OC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)s1 ZINC001292645809 1065380849 /nfs/dbraw/zinc/38/08/49/1065380849.db2.gz UNUDKZYUFHNKAH-DEOSSOPVSA-N 1 0 470.643 2.794 20 0 JFADRO CCc1cnc(CN(C)c2nnc(Cn3nc(C)cc3C)n2CCC[NH+]2CCC(O)CC2)s1 ZINC001292646769 1065381444 /nfs/dbraw/zinc/38/14/44/1065381444.db2.gz AOPRREWCBRNTSG-UHFFFAOYSA-N 1 0 472.663 2.642 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC001292660057 1065395266 /nfs/dbraw/zinc/39/52/66/1065395266.db2.gz JWYQMIMSKFXXNH-HUUCEWRRSA-N 1 0 457.356 2.627 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC001292660055 1065395307 /nfs/dbraw/zinc/39/53/07/1065395307.db2.gz JWYQMIMSKFXXNH-GASCZTMLSA-N 1 0 457.356 2.627 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC001292660240 1065395928 /nfs/dbraw/zinc/39/59/28/1065395928.db2.gz FETUBQXOPOWGTB-HDICACEKSA-N 1 0 454.537 2.971 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+](C)C)s1 ZINC001292675603 1065415626 /nfs/dbraw/zinc/41/56/26/1065415626.db2.gz YACCCYLASMLAFR-KBMXLJTQSA-N 1 0 454.666 2.655 20 0 JFADRO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)o1 ZINC001292678060 1065417021 /nfs/dbraw/zinc/41/70/21/1065417021.db2.gz CBHMWGUYGTUHFO-HZPDHXFCSA-N 1 0 452.563 2.751 20 0 JFADRO CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cs1 ZINC001292720006 1065479319 /nfs/dbraw/zinc/47/93/19/1065479319.db2.gz AIAXZNNJZFHNDJ-IAGOWNOFSA-N 1 0 463.652 2.571 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCC2)cs1 ZINC001292728003 1065488229 /nfs/dbraw/zinc/48/82/29/1065488229.db2.gz CUSCEPDEXYIIJK-INIZCTEOSA-N 1 0 466.677 2.710 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCC2)cs1 ZINC001292728004 1065488934 /nfs/dbraw/zinc/48/89/34/1065488934.db2.gz CUSCEPDEXYIIJK-MRXNPFEDSA-N 1 0 466.677 2.710 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001292729870 1065492576 /nfs/dbraw/zinc/49/25/76/1065492576.db2.gz YJSSXHQLFPDLNI-FQEVSTJZSA-N 1 0 482.658 2.938 20 0 JFADRO CCc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC001292786298 1065548743 /nfs/dbraw/zinc/54/87/43/1065548743.db2.gz LHADAUVBIZCHPO-SFHVURJKSA-N 1 0 474.679 2.827 20 0 JFADRO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001292813642 1065563635 /nfs/dbraw/zinc/56/36/35/1065563635.db2.gz MWIDNTHDBYUMQN-JOCHJYFZSA-N 1 0 481.689 2.855 20 0 JFADRO CC(C)(C)OC(=O)NC1(CC(=O)N2CCNC(=O)C2(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001292831967 1065569790 /nfs/dbraw/zinc/56/97/90/1065569790.db2.gz ZINKVECQIDNFBZ-UHFFFAOYSA-N 1 0 458.603 2.673 20 0 JFADRO COC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001292850557 1065575544 /nfs/dbraw/zinc/57/55/44/1065575544.db2.gz MQJCREBAXWDFFU-GBXCKJPGSA-N 1 0 453.624 2.754 20 0 JFADRO CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCCc1nnc(C)s1 ZINC001292863469 1065578632 /nfs/dbraw/zinc/57/86/32/1065578632.db2.gz LJDCXASFZWSZCT-UHFFFAOYSA-N 1 0 454.648 2.892 20 0 JFADRO CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC001292879751 1065583590 /nfs/dbraw/zinc/58/35/90/1065583590.db2.gz CASZNNQITDLYFT-HSZRJFAPSA-N 1 0 450.583 2.759 20 0 JFADRO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292888136 1065585417 /nfs/dbraw/zinc/58/54/17/1065585417.db2.gz FPUSKQSEHWQRLA-MRXNPFEDSA-N 1 0 485.496 2.689 20 0 JFADRO O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC001292888804 1065586226 /nfs/dbraw/zinc/58/62/26/1065586226.db2.gz PGKQRUXNZKRQNA-NHCUHLMSSA-N 1 0 461.653 2.799 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292892226 1065589218 /nfs/dbraw/zinc/58/92/18/1065589218.db2.gz AYZUGLYUNCJEFX-VAPDBKPJSA-N 1 0 468.646 2.517 20 0 JFADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292911809 1065602028 /nfs/dbraw/zinc/60/20/28/1065602028.db2.gz MKKZYISGMWHTDC-ZHALLVOQSA-N 1 0 473.618 2.799 20 0 JFADRO CCc1nnc(N2CC=C(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292914975 1065604461 /nfs/dbraw/zinc/60/44/61/1065604461.db2.gz AUKNDPXTVUWTTC-JOCHJYFZSA-N 1 0 452.603 2.783 20 0 JFADRO CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292922621 1065609361 /nfs/dbraw/zinc/60/93/61/1065609361.db2.gz FGIANYOTVDNROJ-RDJZCZTQSA-N 1 0 456.488 2.787 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292923962 1065614255 /nfs/dbraw/zinc/61/42/55/1065614255.db2.gz GIPKSAKQXOPHJW-UHFFFAOYSA-N 1 0 486.636 2.748 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292924224 1065614842 /nfs/dbraw/zinc/61/48/42/1065614842.db2.gz SXSVKHDEOSPHAB-OAQYLSRUSA-N 1 0 473.710 2.589 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001292924805 1065617500 /nfs/dbraw/zinc/61/75/00/1065617500.db2.gz QXSNNFNRZHLZIS-NRFANRHFSA-N 1 0 499.679 2.786 20 0 JFADRO CCc1nnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292934150 1065623985 /nfs/dbraw/zinc/62/39/85/1065623985.db2.gz LFLBHCAZVXXWMH-HSZRJFAPSA-N 1 0 458.626 2.956 20 0 JFADRO CN1CC[NH+](CC2CCN(C(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)CC2)CC1 ZINC001292939076 1065625506 /nfs/dbraw/zinc/62/55/06/1065625506.db2.gz JYEZNHLLQATLEX-UHFFFAOYSA-N 1 0 456.612 2.587 20 0 JFADRO COc1cc(CNC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCC[NH+](C)C ZINC001292942962 1065627748 /nfs/dbraw/zinc/62/77/48/1065627748.db2.gz XPPBVQBHSTYSCS-PXNSSMCTSA-N 1 0 453.555 2.847 20 0 JFADRO C[NH+](C)CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCCC1 ZINC001292957335 1065634527 /nfs/dbraw/zinc/63/45/27/1065634527.db2.gz GIUVUGDGLZGUGX-SFHVURJKSA-N 1 0 458.024 2.744 20 0 JFADRO CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001292960491 1065639410 /nfs/dbraw/zinc/63/94/10/1065639410.db2.gz YJYIVVGJWMVBSM-UHFFFAOYSA-N 1 0 452.669 2.973 20 0 JFADRO CCc1nnc(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292961243 1065642166 /nfs/dbraw/zinc/64/21/66/1065642166.db2.gz BZOKOCGVUKTFDN-OTWHNJEPSA-N 1 0 450.628 2.691 20 0 JFADRO CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001292965801 1065645889 /nfs/dbraw/zinc/64/58/89/1065645889.db2.gz GRIWYKJKGCKXMX-SANMLTNESA-N 1 0 452.643 2.913 20 0 JFADRO CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001292965800 1065645924 /nfs/dbraw/zinc/64/59/24/1065645924.db2.gz GRIWYKJKGCKXMX-AREMUKBSSA-N 1 0 452.643 2.913 20 0 JFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC001292967089 1065646674 /nfs/dbraw/zinc/64/66/74/1065646674.db2.gz UMTJINAYBQACQI-STQMWFEESA-N 1 0 452.440 2.510 20 0 JFADRO CCc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292971648 1065653254 /nfs/dbraw/zinc/65/32/54/1065653254.db2.gz ZZWVCMWHQCWUFI-CEXWTWQISA-N 1 0 450.628 2.785 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292980199 1065663826 /nfs/dbraw/zinc/66/38/26/1065663826.db2.gz MQNTXCINQIYNSN-QFIPXVFZSA-N 1 0 486.640 2.654 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292980744 1065665110 /nfs/dbraw/zinc/66/51/10/1065665110.db2.gz YXNICFCRISVWQR-SFTDATJTSA-N 1 0 473.597 2.617 20 0 JFADRO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001292981082 1065665192 /nfs/dbraw/zinc/66/51/92/1065665192.db2.gz CAJRIMNQTONWGF-YADHBBJMSA-N 1 0 484.645 2.949 20 0 JFADRO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001292981078 1065665245 /nfs/dbraw/zinc/66/52/45/1065665245.db2.gz CAJRIMNQTONWGF-FGZHOGPDSA-N 1 0 484.645 2.949 20 0 JFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986387 1065671007 /nfs/dbraw/zinc/67/10/07/1065671007.db2.gz KQGAEABUBJOYPE-AUSIDOKSSA-N 1 0 453.587 2.721 20 0 JFADRO CCc1nnc(N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292986600 1065671743 /nfs/dbraw/zinc/67/17/43/1065671743.db2.gz FAHIHIJFZRYIGW-SQJMNOBHSA-N 1 0 489.064 2.621 20 0 JFADRO CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC001292986993 1065673194 /nfs/dbraw/zinc/67/31/94/1065673194.db2.gz OGOFPRMBSKKMOS-UHFFFAOYSA-N 1 0 454.615 2.723 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C)c2ccc(I)cc2)CC1 ZINC001292987254 1065673210 /nfs/dbraw/zinc/67/32/10/1065673210.db2.gz VMHZWGVDCWZBAR-CQSZACIVSA-N 1 0 458.340 2.786 20 0 JFADRO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001292991526 1065679313 /nfs/dbraw/zinc/67/93/13/1065679313.db2.gz NYGKQTXWZAFZEY-UHFFFAOYSA-N 1 0 455.607 2.504 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC001292992558 1065680010 /nfs/dbraw/zinc/68/00/10/1065680010.db2.gz FLYMMMDACUTBGK-QHCPKHFHSA-N 1 0 456.631 2.573 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293026321 1065698396 /nfs/dbraw/zinc/69/83/96/1065698396.db2.gz AFYMRDYGIVCSEC-TZIWHRDSSA-N 1 0 462.664 2.560 20 0 JFADRO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001293039943 1065707795 /nfs/dbraw/zinc/70/77/95/1065707795.db2.gz CIVBAZJGMRPCOQ-FGZHOGPDSA-N 1 0 484.645 2.949 20 0 JFADRO CCc1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001293066340 1065717710 /nfs/dbraw/zinc/71/77/10/1065717710.db2.gz ILHUMQUSGCNSIT-UHFFFAOYSA-N 1 0 466.677 2.644 20 0 JFADRO CCc1nnc(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001293068591 1065721289 /nfs/dbraw/zinc/72/12/89/1065721289.db2.gz JOEQTGIZCJRRQL-OAQYLSRUSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001293069113 1065722191 /nfs/dbraw/zinc/72/21/91/1065722191.db2.gz QIXWBOMVNTZWPU-OAQYLSRUSA-N 1 0 462.589 2.909 20 0 JFADRO CCc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1C[C@H](CC)[NH+]1CCCC1 ZINC001293070196 1065723346 /nfs/dbraw/zinc/72/33/46/1065723346.db2.gz DJBIYLJKHAEAQA-FQEVSTJZSA-N 1 0 460.648 2.616 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293076765 1065727954 /nfs/dbraw/zinc/72/79/54/1065727954.db2.gz ASDSHHRIINAONK-OAQYLSRUSA-N 1 0 454.619 2.612 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001293077665 1065727986 /nfs/dbraw/zinc/72/79/86/1065727986.db2.gz RSZHWKAVNHSENA-GCJKJVERSA-N 1 0 467.536 2.839 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293081721 1065731085 /nfs/dbraw/zinc/73/10/85/1065731085.db2.gz LLCDUAWOSPVRNU-UHFFFAOYSA-N 1 0 468.627 2.853 20 0 JFADRO CCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293082892 1065732834 /nfs/dbraw/zinc/73/28/34/1065732834.db2.gz AMEBPPHSBKLXOY-SZPZYZBQSA-N 1 0 482.673 2.928 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccc(OC)cc1C(F)(F)F ZINC001293085479 1065735160 /nfs/dbraw/zinc/73/51/60/1065735160.db2.gz DTWXJSCYBFAGAH-UHFFFAOYSA-N 1 0 480.535 2.661 20 0 JFADRO Cc1c(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)cnn1-c1ccccc1Cl ZINC001293092776 1065740841 /nfs/dbraw/zinc/74/08/41/1065740841.db2.gz GEEUHRROKISPPH-UHFFFAOYSA-N 1 0 453.978 2.956 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293093083 1065741299 /nfs/dbraw/zinc/74/12/99/1065741299.db2.gz QDJGHLODNWFOAQ-ZJSXRUAMSA-N 1 0 467.662 2.701 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293093732 1065742162 /nfs/dbraw/zinc/74/21/62/1065742162.db2.gz IXLNUMQSLRGZNJ-IFMALSPDSA-N 1 0 456.635 2.579 20 0 JFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(I)c(Cl)cc1Cl ZINC001293094436 1065744310 /nfs/dbraw/zinc/74/43/10/1065744310.db2.gz SUESTBPFLURCSH-SNVBAGLBSA-N 1 0 456.155 2.964 20 0 JFADRO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293110921 1065756533 /nfs/dbraw/zinc/75/65/33/1065756533.db2.gz IAEPZPVYUZPKGI-INIZCTEOSA-N 1 0 468.433 2.837 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293115474 1065760817 /nfs/dbraw/zinc/76/08/17/1065760817.db2.gz BQOUSQKFHKLSMN-RZUBCFFCSA-N 1 0 487.718 2.831 20 0 JFADRO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)nn2)cc1 ZINC001293116009 1065761652 /nfs/dbraw/zinc/76/16/52/1065761652.db2.gz QRBXXFFEYKSJLR-UHFFFAOYSA-N 1 0 454.962 2.871 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001293119527 1065767138 /nfs/dbraw/zinc/76/71/38/1065767138.db2.gz KJXDUHYDBZBBKP-LEWJYISDSA-N 1 0 471.650 2.697 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001293120187 1065768856 /nfs/dbraw/zinc/76/88/56/1065768856.db2.gz DPPNFRPITIFGFC-HSZRJFAPSA-N 1 0 467.662 2.714 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001293121224 1065771740 /nfs/dbraw/zinc/77/17/40/1065771740.db2.gz MZDJDUITXSARRH-GMAHTHKFSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001293121423 1065772811 /nfs/dbraw/zinc/77/28/11/1065772811.db2.gz QYNQJSFRZCDKHW-VNXZQDSDSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293121631 1065773800 /nfs/dbraw/zinc/77/38/00/1065773800.db2.gz CWBCMCGLYSIKKB-HOTGVXAUSA-N 1 0 464.552 2.751 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001293123113 1065775844 /nfs/dbraw/zinc/77/58/44/1065775844.db2.gz FKJPKXJBYHSGBQ-QHCPKHFHSA-N 1 0 451.619 2.905 20 0 JFADRO CCc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CCCNC(=O)c1occc1C ZINC001293130872 1065782141 /nfs/dbraw/zinc/78/21/41/1065782141.db2.gz KQMCPFVUPLUGBM-UHFFFAOYSA-N 1 0 450.587 2.927 20 0 JFADRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1cccc(OC)c1OC ZINC001293132017 1065784656 /nfs/dbraw/zinc/78/46/56/1065784656.db2.gz TZTSVBRBIAMODM-BGYRXZFFSA-N 1 0 456.635 2.901 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293139788 1065790830 /nfs/dbraw/zinc/79/08/30/1065790830.db2.gz VKLBDCSIANOXJG-QFIPXVFZSA-N 1 0 474.675 2.613 20 0 JFADRO CCc1nnc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001293150205 1065793769 /nfs/dbraw/zinc/79/37/69/1065793769.db2.gz QSLLDXPMLSYTLD-FQEVSTJZSA-N 1 0 465.545 2.867 20 0 JFADRO CCc1nnc(N2CCO[C@H](Cn3nc(C)cc3C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001293161627 1065798423 /nfs/dbraw/zinc/79/84/23/1065798423.db2.gz QWIJOVKUTTXIRD-QHCPKHFHSA-N 1 0 467.618 2.548 20 0 JFADRO CCc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293178715 1065803386 /nfs/dbraw/zinc/80/33/86/1065803386.db2.gz XDKGAGWWCPARBX-FCHUYYIVSA-N 1 0 489.709 2.854 20 0 JFADRO Cc1ccc(-c2noc(CCC(=O)NCc3ccc(C(=O)NCC[NH+](C)C)cc3)n2)cc1F ZINC001293203434 1065831025 /nfs/dbraw/zinc/83/10/25/1065831025.db2.gz INLQQXSSSOXOJY-UHFFFAOYSA-N 1 0 453.518 2.725 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC001293203271 1065831057 /nfs/dbraw/zinc/83/10/57/1065831057.db2.gz COQJGJNBZKKJBO-OAQYLSRUSA-N 1 0 454.571 2.860 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc(C(C)(C)C)n3CC[N@H+](C)CCCOC)CC2)n1 ZINC001293207610 1065834695 /nfs/dbraw/zinc/83/46/95/1065834695.db2.gz JRHXINSHGJKDPW-UHFFFAOYSA-N 1 0 464.684 2.675 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(CC)n3Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC001293209139 1065842424 /nfs/dbraw/zinc/84/24/24/1065842424.db2.gz VSSKKKXLMKVTCW-UHFFFAOYSA-N 1 0 470.647 2.570 20 0 JFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)CCC[S@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210950 1065846608 /nfs/dbraw/zinc/84/66/08/1065846608.db2.gz KNJWXTFHJCAZSH-CRYYWNKWSA-N 1 0 456.450 2.622 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H]2C[C@H]21 ZINC001293215113 1065850647 /nfs/dbraw/zinc/85/06/47/1065850647.db2.gz RRVSYRJKFQLWFC-BIRZXAFVSA-N 1 0 470.614 2.549 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293216340 1065854816 /nfs/dbraw/zinc/85/48/16/1065854816.db2.gz HFRMPKJJQXIMDQ-RBBKRZOGSA-N 1 0 481.645 2.982 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1 ZINC001293216813 1065856399 /nfs/dbraw/zinc/85/63/99/1065856399.db2.gz KQRXAZJSMFRQJI-AWEZNQCLSA-N 1 0 467.437 2.970 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(C)CC1 ZINC001293217612 1065859725 /nfs/dbraw/zinc/85/97/25/1065859725.db2.gz HHTWWSQIWZYPBJ-SFHVURJKSA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001293218774 1065863424 /nfs/dbraw/zinc/86/34/24/1065863424.db2.gz PQRMRKANQHQRNK-JJEXOMBSSA-N 1 0 490.693 2.790 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001293218773 1065863458 /nfs/dbraw/zinc/86/34/58/1065863458.db2.gz PQRMRKANQHQRNK-AXMKBWGCSA-N 1 0 490.693 2.790 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293218865 1065863899 /nfs/dbraw/zinc/86/38/99/1065863899.db2.gz PWNDQMTYZPTIGE-HXAGEGRHSA-N 1 0 484.645 2.554 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293220230 1065870417 /nfs/dbraw/zinc/87/04/17/1065870417.db2.gz SWNVYXPSTBXPPR-HXUWFJFHSA-N 1 0 499.685 2.689 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001293221263 1065874670 /nfs/dbraw/zinc/87/46/70/1065874670.db2.gz XPQHZGQPWKLKHQ-NRFANRHFSA-N 1 0 490.612 2.530 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293227423 1065880346 /nfs/dbraw/zinc/88/03/46/1065880346.db2.gz GPHPMCUJSMSDHO-QUCCMNQESA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001293230098 1065886570 /nfs/dbraw/zinc/88/65/70/1065886570.db2.gz YCENKUFDAZJMJE-IBGZPJMESA-N 1 0 470.618 2.799 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001293239700 1065895798 /nfs/dbraw/zinc/89/57/98/1065895798.db2.gz UAZUUAUBYHWUBT-HSZRJFAPSA-N 1 0 461.614 2.869 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001293240120 1065896969 /nfs/dbraw/zinc/89/69/69/1065896969.db2.gz WUDTUWDMOBUOOS-RBBKRZOGSA-N 1 0 468.646 2.960 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293240705 1065898965 /nfs/dbraw/zinc/89/89/65/1065898965.db2.gz FTHXARDGOQRFRJ-NHCUHLMSSA-N 1 0 466.586 2.683 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293241728 1065901810 /nfs/dbraw/zinc/90/18/10/1065901810.db2.gz FGVIXPVXIFPGPH-RDPSFJRHSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293242388 1065903460 /nfs/dbraw/zinc/90/34/60/1065903460.db2.gz KJZQMLUEPJBSEX-GBXCKJPGSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293243295 1065905740 /nfs/dbraw/zinc/90/57/40/1065905740.db2.gz QQGAMNTVQRMEGU-UXHICEINSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CC[NH+](CC)CC1 ZINC001293250078 1065915316 /nfs/dbraw/zinc/91/53/16/1065915316.db2.gz FTGHBTREXHLSGL-WOJBJXKFSA-N 1 0 454.623 2.578 20 0 JFADRO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255469 1065919901 /nfs/dbraw/zinc/91/99/01/1065919901.db2.gz VYRJYCAGWUUTCC-BHIYHBOVSA-N 1 0 458.603 2.539 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293269440 1065926256 /nfs/dbraw/zinc/92/62/56/1065926256.db2.gz ASCWPANCJJLCTG-UNWVZKJWSA-N 1 0 489.686 2.988 20 0 JFADRO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293269441 1065926271 /nfs/dbraw/zinc/92/62/71/1065926271.db2.gz ASCWPANCJJLCTG-XKCSPQBFSA-N 1 0 489.686 2.988 20 0 JFADRO CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293272337 1065929089 /nfs/dbraw/zinc/92/90/89/1065929089.db2.gz LOGFSPLBDBFRPI-XUVXKRRUSA-N 1 0 482.695 2.500 20 0 JFADRO CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001293284857 1065933052 /nfs/dbraw/zinc/93/30/52/1065933052.db2.gz ZIWAAIQVFFJHDO-NRFANRHFSA-N 1 0 457.644 2.611 20 0 JFADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001293287732 1065934326 /nfs/dbraw/zinc/93/43/26/1065934326.db2.gz BIIMCEDJGKGJFN-SOLBZPMBSA-N 1 0 466.677 2.948 20 0 JFADRO CN1C[C@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001293294868 1065937535 /nfs/dbraw/zinc/93/75/35/1065937535.db2.gz HNBXDGSVRZRNGC-OAQYLSRUSA-N 1 0 458.603 2.757 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001293298737 1065939781 /nfs/dbraw/zinc/93/97/81/1065939781.db2.gz QWPRIAVXHRXMQR-GMLUQMLDSA-N 1 0 478.663 2.825 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293321116 1065947759 /nfs/dbraw/zinc/94/77/59/1065947759.db2.gz LRVVKHGESMWJIG-CBPXPLCBSA-N 1 0 496.722 2.890 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293321117 1065947852 /nfs/dbraw/zinc/94/78/52/1065947852.db2.gz LRVVKHGESMWJIG-DXBBTUNJSA-N 1 0 496.722 2.890 20 0 JFADRO CC[C@H]1C[C@H](C)CN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)F ZINC001293323578 1065948818 /nfs/dbraw/zinc/94/88/18/1065948818.db2.gz FLZYKWPKNZSSQU-PMACEKPBSA-N 1 0 489.615 2.649 20 0 JFADRO CC[C@H]1CC2(CCC2)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](CC)CC ZINC001293336816 1065954622 /nfs/dbraw/zinc/95/46/22/1065954622.db2.gz RQOUWHNUDYXSEK-HSALFYBXSA-N 1 0 482.695 2.500 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](CC)CC ZINC001293336817 1065954655 /nfs/dbraw/zinc/95/46/55/1065954655.db2.gz RQOUWHNUDYXSEK-VAMGGRTRSA-N 1 0 482.695 2.500 20 0 JFADRO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NCc1ccc(OCC[NH+]3CCCC3)cc1)=NO2 ZINC001293342153 1065956592 /nfs/dbraw/zinc/95/65/92/1065956592.db2.gz SSFJFGRUFFMRNP-UHFFFAOYSA-N 1 0 458.559 2.543 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001293357834 1065962999 /nfs/dbraw/zinc/96/29/99/1065962999.db2.gz BEYHRWVTZJEBPK-SFTDATJTSA-N 1 0 496.660 2.931 20 0 JFADRO O=C(COc1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC001293362921 1065966682 /nfs/dbraw/zinc/96/66/82/1065966682.db2.gz PQFVIOHBZLLFBH-IBGZPJMESA-N 1 0 450.377 2.516 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363046 1065966705 /nfs/dbraw/zinc/96/67/05/1065966705.db2.gz GNDXOVDKXBNWIV-OALUTQOASA-N 1 0 470.684 2.547 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001293364109 1065967829 /nfs/dbraw/zinc/96/78/29/1065967829.db2.gz CKHAIVSNFSURJX-OAQYLSRUSA-N 1 0 460.648 2.728 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001293364107 1065967994 /nfs/dbraw/zinc/96/79/94/1065967994.db2.gz CKHAIVSNFSURJX-NRFANRHFSA-N 1 0 460.648 2.728 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293365102 1065969682 /nfs/dbraw/zinc/96/96/82/1065969682.db2.gz JTABOKKVUOVGQA-MOPGFXCFSA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCS(C)(=O)=O ZINC001293365112 1065969750 /nfs/dbraw/zinc/96/97/50/1065969750.db2.gz JVGOVYZPXOAGFE-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001293365685 1065970706 /nfs/dbraw/zinc/97/07/06/1065970706.db2.gz PCDUUMSLZBFSNT-LJQANCHMSA-N 1 0 478.638 2.820 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001293365617 1065970871 /nfs/dbraw/zinc/97/08/71/1065970871.db2.gz NRSUPLWLEMDUGN-HXUWFJFHSA-N 1 0 470.618 2.689 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001293369253 1065972542 /nfs/dbraw/zinc/97/25/42/1065972542.db2.gz CJDMFJNKBSETIJ-OKZBNKHCSA-N 1 0 472.556 2.551 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293371338 1065973906 /nfs/dbraw/zinc/97/39/06/1065973906.db2.gz DYDAJAWBCDGLOQ-QFIPXVFZSA-N 1 0 472.609 2.568 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001293372654 1065976201 /nfs/dbraw/zinc/97/62/01/1065976201.db2.gz KIHRNHKLESMRTA-JOCHJYFZSA-N 1 0 470.666 2.851 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373119 1065977025 /nfs/dbraw/zinc/97/70/25/1065977025.db2.gz PLGDUZCHFDRQMW-LEWJYISDSA-N 1 0 467.680 2.698 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293373551 1065977784 /nfs/dbraw/zinc/97/77/84/1065977784.db2.gz PNPBTYDMIGFZOQ-VXKWHMMOSA-N 1 0 489.686 2.960 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373735 1065978362 /nfs/dbraw/zinc/97/83/62/1065978362.db2.gz RFBUDIHRMRHSRS-RBBKRZOGSA-N 1 0 475.659 2.787 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001293373838 1065979283 /nfs/dbraw/zinc/97/92/83/1065979283.db2.gz RZDSIDBTYWITDO-XUVXKRRUSA-N 1 0 489.665 2.987 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001293374137 1065979836 /nfs/dbraw/zinc/97/98/36/1065979836.db2.gz UGBISLAQJICUPS-VSKRKVRLSA-N 1 0 496.722 2.748 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293374619 1065980619 /nfs/dbraw/zinc/98/06/19/1065980619.db2.gz YMGXSUCHJOUSHQ-YADHBBJMSA-N 1 0 491.706 2.808 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293374894 1065980722 /nfs/dbraw/zinc/98/07/22/1065980722.db2.gz YNUFCDPAXOEUFF-NJDAHSKKSA-N 1 0 482.695 2.550 20 0 JFADRO CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001293378578 1065982469 /nfs/dbraw/zinc/98/24/69/1065982469.db2.gz TYGGRCIIDFNEBG-WOJBJXKFSA-N 1 0 455.607 2.789 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293379457 1065983666 /nfs/dbraw/zinc/98/36/66/1065983666.db2.gz PQEUTGIXLYTHEV-QFIPXVFZSA-N 1 0 484.645 2.725 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293379838 1065984568 /nfs/dbraw/zinc/98/45/68/1065984568.db2.gz UYJMEPBUMAWCQP-MOPGFXCFSA-N 1 0 458.582 2.928 20 0 JFADRO C[C@@H](C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)n1ccnc1 ZINC001293382889 1065985243 /nfs/dbraw/zinc/98/52/43/1065985243.db2.gz JHKMZEORTSVCSB-INIZCTEOSA-N 1 0 452.372 2.622 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001293388046 1065989028 /nfs/dbraw/zinc/98/90/28/1065989028.db2.gz XXVJAXXICWTYNL-RDGATRHJSA-N 1 0 462.683 2.973 20 0 JFADRO CC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001293404539 1065995228 /nfs/dbraw/zinc/99/52/28/1065995228.db2.gz RLJCOLSNAGTWTB-OALUTQOASA-N 1 0 467.680 2.696 20 0 JFADRO Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)COC2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC001293402633 1065995267 /nfs/dbraw/zinc/99/52/67/1065995267.db2.gz ZBKQXQCPHNWDFK-QFIPXVFZSA-N 1 0 459.612 2.550 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001293404538 1065995280 /nfs/dbraw/zinc/99/52/80/1065995280.db2.gz RLJCOLSNAGTWTB-MOPGFXCFSA-N 1 0 467.680 2.696 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001293404541 1065995637 /nfs/dbraw/zinc/99/56/37/1065995637.db2.gz RLJCOLSNAGTWTB-RTBURBONSA-N 1 0 467.680 2.696 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407938 1065997288 /nfs/dbraw/zinc/99/72/88/1065997288.db2.gz PVCMXVGHSHDGKB-YVWKXTFCSA-N 1 0 452.521 2.733 20 0 JFADRO CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293432595 1066004844 /nfs/dbraw/zinc/00/48/44/1066004844.db2.gz WOIQHISTLUGSBU-VSKRKVRLSA-N 1 0 490.674 2.601 20 0 JFADRO CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293432593 1066004878 /nfs/dbraw/zinc/00/48/78/1066004878.db2.gz WOIQHISTLUGSBU-BHIFYINESA-N 1 0 490.674 2.601 20 0 JFADRO CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001293451224 1066010981 /nfs/dbraw/zinc/01/09/81/1066010981.db2.gz WKYMFXIIPCSUHI-UHFFFAOYSA-N 1 0 454.623 2.579 20 0 JFADRO CCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001293485626 1066022696 /nfs/dbraw/zinc/02/26/96/1066022696.db2.gz SKCUZTVYDLSJJC-IFMALSPDSA-N 1 0 496.722 2.750 20 0 JFADRO C[C@@H]([NH2+]C1(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CCCC1)c1ccccc1 ZINC001293488204 1066024425 /nfs/dbraw/zinc/02/44/25/1066024425.db2.gz NCJJHSPACQADLN-UTKZUKDTSA-N 1 0 454.546 2.579 20 0 JFADRO CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC001293491042 1066025183 /nfs/dbraw/zinc/02/51/83/1066025183.db2.gz IBPURGQOKTZVAZ-MRXNPFEDSA-N 1 0 457.604 2.784 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3[nH]c(C)cc3c2)CC[N@@H+]1CCOC ZINC001293506495 1066030338 /nfs/dbraw/zinc/03/03/38/1066030338.db2.gz DAAPIQXKPHOUIW-NRFANRHFSA-N 1 0 467.618 2.801 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CSC)c2)CC[N@@H+]1CCOC ZINC001293508006 1066032494 /nfs/dbraw/zinc/03/24/94/1066032494.db2.gz UZCJIWREECMUNB-JOCHJYFZSA-N 1 0 486.686 2.972 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001293508844 1066033220 /nfs/dbraw/zinc/03/32/20/1066033220.db2.gz FTBMBZGQJSBAIJ-UXHICEINSA-N 1 0 486.690 2.531 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(C)(C)C)nc2)CC[N@@H+]1CCOC ZINC001293510276 1066035517 /nfs/dbraw/zinc/03/55/17/1066035517.db2.gz QPTZYABPLCFPKM-HXUWFJFHSA-N 1 0 487.649 2.584 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CC[NH+](CC)CC2)CCO1 ZINC001293511507 1066037692 /nfs/dbraw/zinc/03/76/92/1066037692.db2.gz WRSJLMVENCOANL-HSZRJFAPSA-N 1 0 483.661 2.790 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC[N@@H+]1CCOC ZINC001293519644 1066041064 /nfs/dbraw/zinc/04/10/64/1066041064.db2.gz YQXIIRCPZYSBBD-NRFANRHFSA-N 1 0 463.648 2.541 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001293519850 1066041390 /nfs/dbraw/zinc/04/13/90/1066041390.db2.gz OCLKCJMMILJNRA-NRFANRHFSA-N 1 0 474.625 2.621 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC[N@@H+]1CCOC ZINC001293519645 1066041422 /nfs/dbraw/zinc/04/14/22/1066041422.db2.gz YQXIIRCPZYSBBD-OAQYLSRUSA-N 1 0 463.648 2.541 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC001293525855 1066047086 /nfs/dbraw/zinc/04/70/86/1066047086.db2.gz QVZHTYMDIYQZHL-WOJBJXKFSA-N 1 0 467.680 2.979 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CC[NH+](CC)CC2)CCS1 ZINC001293530413 1066049872 /nfs/dbraw/zinc/04/98/72/1066049872.db2.gz FGKGXTXXWZBGNB-ZJSXRUAMSA-N 1 0 480.723 2.678 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001293531125 1066050923 /nfs/dbraw/zinc/05/09/23/1066050923.db2.gz KQSQIUXPXWCHOR-GBXCKJPGSA-N 1 0 480.723 2.677 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H](C)O1 ZINC001293539723 1066058538 /nfs/dbraw/zinc/05/85/38/1066058538.db2.gz LLPTYTZWULPMEU-DYXWJJEUSA-N 1 0 492.690 2.929 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001293542122 1066062045 /nfs/dbraw/zinc/06/20/45/1066062045.db2.gz RSIQDWFNIWXTTR-AZUAARDMSA-N 1 0 459.591 2.546 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001293542124 1066062063 /nfs/dbraw/zinc/06/20/63/1066062063.db2.gz RSIQDWFNIWXTTR-ICSRJNTNSA-N 1 0 459.591 2.546 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(N(C)C)nc2)CC[N@@H+]1CCOC ZINC001293549243 1066065221 /nfs/dbraw/zinc/06/52/21/1066065221.db2.gz IXYHVXVACUMUQG-FQEVSTJZSA-N 1 0 453.591 2.903 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCOCC2)CC[N@@H+]1CCOC ZINC001293552149 1066067151 /nfs/dbraw/zinc/06/71/51/1066067151.db2.gz KQRYNWWTRYDWMP-LJQANCHMSA-N 1 0 494.036 2.696 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C)s2)CC[N@@H+]1CCOC ZINC001293552368 1066067507 /nfs/dbraw/zinc/06/75/07/1066067507.db2.gz BPRUDJYWWPMMGJ-INIZCTEOSA-N 1 0 463.011 2.749 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[NH+]2CCN(CC)CC2)CCO1 ZINC001293556051 1066070072 /nfs/dbraw/zinc/07/00/72/1066070072.db2.gz GDKSKKWNEIMQGL-NRFANRHFSA-N 1 0 472.634 2.605 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[NH+]2CCN(CC)CC2)CCO1 ZINC001293556052 1066070093 /nfs/dbraw/zinc/07/00/93/1066070093.db2.gz GDKSKKWNEIMQGL-OAQYLSRUSA-N 1 0 472.634 2.605 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293556357 1066070678 /nfs/dbraw/zinc/07/06/78/1066070678.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 1 0 486.661 2.612 20 0 JFADRO CN(C(=O)OC(C)(C)C)C1CC(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC001293558238 1066071825 /nfs/dbraw/zinc/07/18/25/1066071825.db2.gz IIHQLTOZPNOPDO-UHFFFAOYSA-N 1 0 458.603 2.774 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC001293558449 1066072028 /nfs/dbraw/zinc/07/20/28/1066072028.db2.gz MSVJSYWXEPOWCX-RUZDIDTESA-N 1 0 458.603 2.776 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCCN2CCOCC2)CC[N@@H+]1CCOC ZINC001293565342 1066077176 /nfs/dbraw/zinc/07/71/76/1066077176.db2.gz LLWNWUAWVIZXGA-FQEVSTJZSA-N 1 0 477.053 2.868 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001293565868 1066077944 /nfs/dbraw/zinc/07/79/44/1066077944.db2.gz ASFDNFQVFOSLDE-BWKNWUBXSA-N 1 0 450.587 2.795 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCOC)CC[N@@H+]1CCOC ZINC001293566354 1066079260 /nfs/dbraw/zinc/07/92/60/1066079260.db2.gz SBMBLLUZJOWBMR-MRXNPFEDSA-N 1 0 452.397 2.901 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC[N@@H+]1CCOC ZINC001293568774 1066081505 /nfs/dbraw/zinc/08/15/05/1066081505.db2.gz SAUDGAPPVOSYOL-SJLPKXTDSA-N 1 0 456.513 2.855 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)N(C)Cc2ccccc2)CC[N@@H+]1CCOC ZINC001293570154 1066082216 /nfs/dbraw/zinc/08/22/16/1066082216.db2.gz AIBMBJUUTISTQE-HSZRJFAPSA-N 1 0 477.613 2.546 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@@H+]1CCOC ZINC001293570468 1066082593 /nfs/dbraw/zinc/08/25/93/1066082593.db2.gz AFJJJJULXKPTCD-FQEVSTJZSA-N 1 0 483.592 2.698 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293574613 1066085379 /nfs/dbraw/zinc/08/53/79/1066085379.db2.gz GSGKLBJWNOMICQ-KSZLIROESA-N 1 0 458.611 2.815 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(C(C)(C)O)c2)CC[N@@H+]1CCOC ZINC001293577716 1066088126 /nfs/dbraw/zinc/08/81/26/1066088126.db2.gz WWADXWIBZNPAKQ-OAQYLSRUSA-N 1 0 465.602 2.558 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1CCOC ZINC001293582049 1066090968 /nfs/dbraw/zinc/09/09/68/1066090968.db2.gz HPYABESLYJZTAR-IEBWSBKVSA-N 1 0 498.525 2.982 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC[N@@H+]1CCOC ZINC001293583801 1066093272 /nfs/dbraw/zinc/09/32/72/1066093272.db2.gz KHARAOPHBGIDIS-QZTJIDSGSA-N 1 0 460.648 2.816 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccs2)CC[N@@H+]1CCOC ZINC001293583802 1066093306 /nfs/dbraw/zinc/09/33/06/1066093306.db2.gz KHARAOPHBGIDIS-ROUUACIJSA-N 1 0 460.648 2.816 20 0 JFADRO C[NH+](C)CCn1ncc(C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)c1-c1ccccc1 ZINC001293586729 1066095001 /nfs/dbraw/zinc/09/50/01/1066095001.db2.gz IISXQIMPURLTKH-IBGZPJMESA-N 1 0 453.974 2.839 20 0 JFADRO 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CCCC(=O)NC1CCN(c2nnc(COCC)n2CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC001293779253 1066272597 /nfs/dbraw/zinc/27/25/97/1066272597.db2.gz DMJBRPQFEUYGDK-UHFFFAOYSA-N 1 0 468.646 2.799 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001293786056 1066286790 /nfs/dbraw/zinc/28/67/90/1066286790.db2.gz DJSVVYXCHFUAHS-JTHBVZDNSA-N 1 0 483.661 2.830 20 0 JFADRO CCC[C@@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001293796847 1066305766 /nfs/dbraw/zinc/30/57/66/1066305766.db2.gz JSLSGGKUDAGWFJ-AUSIDOKSSA-N 1 0 484.711 2.532 20 0 JFADRO CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001293798064 1066308573 /nfs/dbraw/zinc/30/85/73/1066308573.db2.gz OSOOORIHWBIIIE-NLFFAJNJSA-N 1 0 454.619 2.776 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293817569 1066324803 /nfs/dbraw/zinc/32/48/03/1066324803.db2.gz ISCIPWINULAEFB-OFVILXPXSA-N 1 0 455.651 2.804 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293821880 1066329814 /nfs/dbraw/zinc/32/98/14/1066329814.db2.gz SINUFGZXWQNSFD-HHHXNRCGSA-N 1 0 495.672 2.978 20 0 JFADRO CCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293835088 1066339689 /nfs/dbraw/zinc/33/96/89/1066339689.db2.gz KXAOJVILEAJDPY-AMGIVPHBSA-N 1 0 498.672 2.768 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001293857192 1066364638 /nfs/dbraw/zinc/36/46/38/1066364638.db2.gz RNZQQMRMIACOLP-LJQANCHMSA-N 1 0 454.623 2.742 20 0 JFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)[C@@H]1c1cccs1 ZINC001293863529 1066374431 /nfs/dbraw/zinc/37/44/31/1066374431.db2.gz DFEHIWOMRVATCQ-YGLGAKQISA-N 1 0 459.587 2.591 20 0 JFADRO C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1=O ZINC001293881798 1066387926 /nfs/dbraw/zinc/38/79/26/1066387926.db2.gz VMJKBNLRWHWKEE-QFIPXVFZSA-N 1 0 450.942 2.723 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001293916659 1066399704 /nfs/dbraw/zinc/39/97/04/1066399704.db2.gz LQWZDMPCLSIRHJ-IRLDBZIGSA-N 1 0 453.635 2.672 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001293920385 1066400652 /nfs/dbraw/zinc/40/06/52/1066400652.db2.gz AOUQJAGAIZVDPW-OKZBNKHCSA-N 1 0 484.692 2.600 20 0 JFADRO CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001293965125 1066465429 /nfs/dbraw/zinc/46/54/29/1066465429.db2.gz JMWROSZCFSSHFP-XZOQPEGZSA-N 1 0 469.029 2.964 20 0 JFADRO CCC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001293981438 1066484458 /nfs/dbraw/zinc/48/44/58/1066484458.db2.gz HGHPMRYIZGOJBZ-GOTSBHOMSA-N 1 0 455.651 2.684 20 0 JFADRO CN1C(=O)C[C@H](C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001293981691 1066485995 /nfs/dbraw/zinc/48/59/95/1066485995.db2.gz GIOXRGWBGUEQDN-OEOAZWSVSA-N 1 0 459.949 2.752 20 0 JFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001293982763 1066487802 /nfs/dbraw/zinc/48/78/02/1066487802.db2.gz WCNALDZKLFTSEW-MZANGIHLSA-N 1 0 456.546 2.606 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001294054439 1066526250 /nfs/dbraw/zinc/52/62/50/1066526250.db2.gz GVUNJLNBMMDNHI-GCJKJVERSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC001294054615 1066526680 /nfs/dbraw/zinc/52/66/80/1066526680.db2.gz KLCFWJCOHRAOTA-GGAORHGYSA-N 1 0 483.661 2.632 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)nc2OC)CC[N@@H+]1CCOC ZINC001294054803 1066527494 /nfs/dbraw/zinc/52/74/94/1066527494.db2.gz OHAPAOKFHWFZNM-LJQANCHMSA-N 1 0 460.623 2.973 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2F)CC[N@@H+]1CCOC ZINC001294054857 1066527953 /nfs/dbraw/zinc/52/79/53/1066527953.db2.gz PAZWCTZHBIREOV-LJQANCHMSA-N 1 0 464.561 2.680 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294058527 1066530776 /nfs/dbraw/zinc/53/07/76/1066530776.db2.gz RGFSVZZVVLWGHR-MOPGFXCFSA-N 1 0 476.588 2.602 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294058581 1066531329 /nfs/dbraw/zinc/53/13/29/1066531329.db2.gz SCWOPYQNHYTEHM-BDTNDASRSA-N 1 0 496.722 2.543 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@@H+]1CCOC ZINC001294059402 1066532025 /nfs/dbraw/zinc/53/20/25/1066532025.db2.gz YDSCICKWDQGBDT-SOAISFHBSA-N 1 0 484.711 2.823 20 0 JFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC001294064021 1066534586 /nfs/dbraw/zinc/53/45/86/1066534586.db2.gz FOJYPYXJUWNJEB-NRFANRHFSA-N 1 0 451.489 2.874 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294066394 1066536252 /nfs/dbraw/zinc/53/62/52/1066536252.db2.gz HSUJGIKOUOTVRO-WOJBJXKFSA-N 1 0 479.025 2.736 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294065907 1066536408 /nfs/dbraw/zinc/53/64/08/1066536408.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 1 0 456.635 2.603 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294066830 1066536807 /nfs/dbraw/zinc/53/68/07/1066536807.db2.gz FFRMPNHIQLALKG-BWKNWUBXSA-N 1 0 473.618 2.696 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CC[N@@H+]1CCOC ZINC001294076340 1066545480 /nfs/dbraw/zinc/54/54/80/1066545480.db2.gz IHHITHIQCNPGEH-OAQYLSRUSA-N 1 0 450.591 2.618 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001294077466 1066546810 /nfs/dbraw/zinc/54/68/10/1066546810.db2.gz PJLJSXCQPKJVDV-LJQANCHMSA-N 1 0 469.565 2.868 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001294077886 1066547317 /nfs/dbraw/zinc/54/73/17/1066547317.db2.gz TYQRNSJPIILTTC-NTKDMRAZSA-N 1 0 457.623 2.613 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@@H+]1CCOC ZINC001294081045 1066549094 /nfs/dbraw/zinc/54/90/94/1066549094.db2.gz LTQIBLQGEKWWKG-NHCUHLMSSA-N 1 0 460.623 2.957 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001294081712 1066549736 /nfs/dbraw/zinc/54/97/36/1066549736.db2.gz NWFCOAAAQMTROY-ROUUACIJSA-N 1 0 497.566 2.771 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001294085531 1066555579 /nfs/dbraw/zinc/55/55/79/1066555579.db2.gz UAKBWGWVGNCKLH-IEBWSBKVSA-N 1 0 494.562 2.826 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001294086961 1066558789 /nfs/dbraw/zinc/55/87/89/1066558789.db2.gz PEOZVTUACZJXEZ-PCCBWWKXSA-N 1 0 467.680 2.840 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001294086960 1066558819 /nfs/dbraw/zinc/55/88/19/1066558819.db2.gz PEOZVTUACZJXEZ-NJDAHSKKSA-N 1 0 467.680 2.840 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC[N@@H+]1CCOC ZINC001294087877 1066560033 /nfs/dbraw/zinc/56/00/33/1066560033.db2.gz YIFFNINKBXEZQI-OPJGWUQDSA-N 1 0 473.618 2.889 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294090915 1066561734 /nfs/dbraw/zinc/56/17/34/1066561734.db2.gz IZERHQKARPSISV-FCHUYYIVSA-N 1 0 478.037 2.875 20 0 JFADRO COc1ccc(N2C(=O)CC[C@H](C(=O)NCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756730 524387623 /nfs/dbraw/zinc/38/76/23/524387623.db2.gz MWDQIXBSIKJNCK-RDPSFJRHSA-N 1 0 455.555 2.875 20 0 JFADRO COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)cc1 ZINC001164392207 718809556 /nfs/dbraw/zinc/80/95/56/718809556.db2.gz ZIWCBWMDCVUIMO-UHFFFAOYSA-N 1 0 464.900 2.792 20 0 JFADRO O=S(=O)(c1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nc1)N(Cc1ccccc1)Cc1ccccc1 ZINC001164403450 718839514 /nfs/dbraw/zinc/83/95/14/718839514.db2.gz JGNNFBKANOEXNU-DEOSSOPVSA-N 1 0 477.634 2.567 20 0 JFADRO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1C ZINC001164405997 718839982 /nfs/dbraw/zinc/83/99/82/718839982.db2.gz RLRJNHLWKPWNMJ-SFHVURJKSA-N 1 0 481.622 2.870 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001164406135 718861430 /nfs/dbraw/zinc/86/14/30/718861430.db2.gz SZRWHNRETHMUGG-NVXWUHKLSA-N 1 0 452.889 2.847 20 0 JFADRO c1sc2nc(CN3CCOCC3)nc(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c2c1-c1ccccc1 ZINC001164423846 718916064 /nfs/dbraw/zinc/91/60/64/718916064.db2.gz KCUMZMAXEFBBQW-SANMLTNESA-N 1 0 495.649 2.776 20 0 JFADRO C(c1nc2sc3c(c2c(N2CCCO[C@@]4(C[NH2+]CCOC4)C2)n1)CCCC3)N1CCCC1 ZINC001164424994 718916118 /nfs/dbraw/zinc/91/61/18/718916118.db2.gz PTNRLXNZUSPMPS-DEOSSOPVSA-N 1 0 457.644 2.751 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164431947 718968209 /nfs/dbraw/zinc/96/82/09/718968209.db2.gz CVMMIVSAJVMFJY-GOTSBHOMSA-N 1 0 475.515 2.556 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164433718 718968907 /nfs/dbraw/zinc/96/89/07/718968907.db2.gz MYWPBGCUEXXIHO-GOTSBHOMSA-N 1 0 475.515 2.556 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164435094 718969088 /nfs/dbraw/zinc/96/90/88/718969088.db2.gz YXEHCSLVKYBLQJ-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164434356 718971724 /nfs/dbraw/zinc/97/17/24/718971724.db2.gz QJKBTLFJDWKAQL-JKSUJKDBSA-N 1 0 486.825 2.893 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164619401 719007174 /nfs/dbraw/zinc/00/71/74/719007174.db2.gz WBINWFVUQIPFMM-XOBRGWDASA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164617155 719010995 /nfs/dbraw/zinc/01/09/95/719010995.db2.gz MNZZLNUEHJJTGS-XOBRGWDASA-N 1 0 457.953 2.890 20 0 JFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164614228 719018978 /nfs/dbraw/zinc/01/89/78/719018978.db2.gz DPIDTOWOEUPMMN-HYVNUMGLSA-N 1 0 468.888 2.864 20 0 JFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164668228 719438665 /nfs/dbraw/zinc/43/86/65/719438665.db2.gz IVAZGFBACICQMV-VQTJNVASSA-N 1 0 451.596 2.710 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2c1C ZINC001164671668 719444354 /nfs/dbraw/zinc/44/43/54/719444354.db2.gz QOEWDKRKLZNRDB-SJORKVTESA-N 1 0 459.616 2.682 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cc3C(N)=O)CC2)c2ccccc21 ZINC001164680353 719659476 /nfs/dbraw/zinc/65/94/76/719659476.db2.gz FWYCGGPLBAZZHN-QGZVFWFLSA-N 1 0 470.017 2.927 20 0 JFADRO COC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1N ZINC001164681440 719663833 /nfs/dbraw/zinc/66/38/33/719663833.db2.gz OWQBUGQNFJPNSH-GOSISDBHSA-N 1 0 465.598 2.544 20 0 JFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681211 719666838 /nfs/dbraw/zinc/66/68/38/719666838.db2.gz KRRIMIWQOFSMDE-IBGZPJMESA-N 1 0 495.624 2.755 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc4c3NC(=O)CO4)CC2)c2ccccc21 ZINC001164680077 719670218 /nfs/dbraw/zinc/67/02/18/719670218.db2.gz BLFOYSTUCMKABG-GOSISDBHSA-N 1 0 463.582 2.506 20 0 JFADRO CCOC(=O)Cc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680823 719674549 /nfs/dbraw/zinc/67/45/49/719674549.db2.gz HUHIPIPWEHWUNC-HXUWFJFHSA-N 1 0 479.625 2.676 20 0 JFADRO CCn1cnc2c1ncnc2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681865 719677772 /nfs/dbraw/zinc/67/77/72/719677772.db2.gz NUEWPLSDSLRMNW-LJQANCHMSA-N 1 0 461.614 2.940 20 0 JFADRO COCCOC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681735 719681640 /nfs/dbraw/zinc/68/16/40/719681640.db2.gz ABVUGDXPKBBDJD-JOCHJYFZSA-N 1 0 494.636 2.978 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3NC(=O)CS4)CC2)c2ccccc21 ZINC001164688266 719682960 /nfs/dbraw/zinc/68/29/60/719682960.db2.gz ZRXCAGZTCPKFBK-QGZVFWFLSA-N 1 0 480.638 2.614 20 0 JFADRO CNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683040 719683460 /nfs/dbraw/zinc/68/34/60/719683460.db2.gz DZFUNCNXKGXLLS-KRWDZBQOSA-N 1 0 485.032 2.583 20 0 JFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(S(=O)(=O)N4CCOCC4)cn2)CC3)cs1 ZINC001164693728 719813033 /nfs/dbraw/zinc/81/30/33/719813033.db2.gz YJURSTQBMBCLBH-UHFFFAOYSA-N 1 0 477.656 2.502 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814780 720095176 /nfs/dbraw/zinc/09/51/76/720095176.db2.gz WPPWSJBCLMTLRL-CJFMBICVSA-N 1 0 481.622 2.853 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164711638 720098895 /nfs/dbraw/zinc/09/88/95/720098895.db2.gz RVKRGOZKGYQJNJ-LJQANCHMSA-N 1 0 468.554 2.557 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164710682 720101531 /nfs/dbraw/zinc/10/15/31/720101531.db2.gz LBSXLSSDMIAUFE-GOSISDBHSA-N 1 0 450.543 2.599 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(N3CCC(C(=O)OC)CC3)nn1)CC2 ZINC001164714247 720126509 /nfs/dbraw/zinc/12/65/09/720126509.db2.gz BEKWNBQFLWTTHD-HSZRJFAPSA-N 1 0 494.640 2.769 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812567 720128970 /nfs/dbraw/zinc/12/89/70/720128970.db2.gz PHVJDLONOMEZJJ-IIBYNOLFSA-N 1 0 456.418 2.805 20 0 JFADRO CCOC(=O)c1sc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164712964 720165894 /nfs/dbraw/zinc/16/58/94/720165894.db2.gz IRVUNBGOVKRNOC-QGZVFWFLSA-N 1 0 485.614 2.521 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712896 720170168 /nfs/dbraw/zinc/17/01/68/720170168.db2.gz HTSPSMWKXSLALX-CYBMUJFWSA-N 1 0 462.332 2.673 20 0 JFADRO Cn1nnc2c1CCN(c1nnc(Cl)cc1-c1ccncc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712901 720170967 /nfs/dbraw/zinc/17/09/67/720170967.db2.gz HYFMLCIEFWKXHI-LJQANCHMSA-N 1 0 454.966 2.537 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)c1nc(Cl)ncc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714508 720173633 /nfs/dbraw/zinc/17/36/33/720173633.db2.gz QBJJORDYEWLONM-CQSZACIVSA-N 1 0 462.332 2.673 20 0 JFADRO CCOC(=O)c1cc2c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)[nH]c(C)c(C)c-2n1 ZINC001164718403 720188193 /nfs/dbraw/zinc/18/81/93/720188193.db2.gz POFICOTXOUYELJ-OAQYLSRUSA-N 1 0 481.601 2.701 20 0 JFADRO Cc1nc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(Cl)c1C ZINC001164716570 720188298 /nfs/dbraw/zinc/18/82/98/720188298.db2.gz HXECNNKSPLMPAO-INIZCTEOSA-N 1 0 455.941 2.636 20 0 JFADRO COc1cccc(Oc2cncc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)c1 ZINC001164715667 720190402 /nfs/dbraw/zinc/19/04/02/720190402.db2.gz MFTBHJWCOFGHJF-OAQYLSRUSA-N 1 0 465.558 2.622 20 0 JFADRO CCOC(=O)c1sc2nc(C)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164714005 720195937 /nfs/dbraw/zinc/19/59/37/720195937.db2.gz FQISROPGDXWQGN-SFHVURJKSA-N 1 0 499.641 2.830 20 0 JFADRO Cn1nnc2c1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716603 720198908 /nfs/dbraw/zinc/19/89/08/720198908.db2.gz PXQXVOXJFATUAQ-QHCPKHFHSA-N 1 0 476.581 2.783 20 0 JFADRO Cn1nnc2c1CCN(c1nccc(Oc3ccc(F)cc3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714484 720199506 /nfs/dbraw/zinc/19/95/06/720199506.db2.gz FXVPLOKKFGTUQV-FQEVSTJZSA-N 1 0 453.522 2.753 20 0 JFADRO COc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)c(OC)c1 ZINC001164714613 720200504 /nfs/dbraw/zinc/20/05/04/720200504.db2.gz HBXQPSYLXULYEV-JOCHJYFZSA-N 1 0 479.585 2.506 20 0 JFADRO Cc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164716649 720202518 /nfs/dbraw/zinc/20/25/18/720202518.db2.gz QVLLEXBDDPRYSN-LJQANCHMSA-N 1 0 468.993 2.845 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813271 720205468 /nfs/dbraw/zinc/20/54/68/720205468.db2.gz NXEZKSXZYXSWGA-QFBILLFUSA-N 1 0 463.978 2.868 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)COC(=O)Nc1ccc(Cl)nc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716073 720206071 /nfs/dbraw/zinc/20/60/71/720206071.db2.gz AJWXPMZJJWEQIP-KRWDZBQOSA-N 1 0 499.950 2.717 20 0 JFADRO CCOC(=O)c1ccc2ncnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c2c1 ZINC001164812092 720223794 /nfs/dbraw/zinc/22/37/94/720223794.db2.gz DASQFGXWCCWVKE-UHFFFAOYSA-N 1 0 450.543 2.614 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)CCC2 ZINC001164813498 720237804 /nfs/dbraw/zinc/23/78/04/720237804.db2.gz OYHULUNNWNIERW-UHFFFAOYSA-N 1 0 452.937 2.971 20 0 JFADRO COc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)c(OC)c1OC ZINC001164815125 720242122 /nfs/dbraw/zinc/24/21/22/720242122.db2.gz AUBLEEPCLUQXQJ-UHFFFAOYSA-N 1 0 494.596 2.977 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CCC2 ZINC001164817947 720242474 /nfs/dbraw/zinc/24/24/74/720242474.db2.gz VAECCJGVSRHUBM-UHFFFAOYSA-N 1 0 489.624 2.787 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817579 720274383 /nfs/dbraw/zinc/27/43/83/720274383.db2.gz DQLAZLNDBGOKDK-CAKYRVLISA-N 1 0 494.640 2.993 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820956 720291708 /nfs/dbraw/zinc/29/17/08/720291708.db2.gz IHWOADOQGWFYTA-IRXDYDNUSA-N 1 0 485.963 2.763 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001164818555 720300562 /nfs/dbraw/zinc/30/05/62/720300562.db2.gz AEVPXHCQIGJXQR-UIOOFZCWSA-N 1 0 474.653 2.946 20 0 JFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164827438 720312840 /nfs/dbraw/zinc/31/28/40/720312840.db2.gz XUDQFZUPNVJIQY-ROUUACIJSA-N 1 0 470.948 2.978 20 0 JFADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828419 720317886 /nfs/dbraw/zinc/31/78/86/720317886.db2.gz JHSLCQARSCECFI-HZPDHXFCSA-N 1 0 482.050 2.940 20 0 JFADRO CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2N1C1CCCC1 ZINC001164825411 720318565 /nfs/dbraw/zinc/31/85/65/720318565.db2.gz DRQQGOJROAPQCS-XPWALMASSA-N 1 0 495.672 2.868 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832991 720319130 /nfs/dbraw/zinc/31/91/30/720319130.db2.gz VFGRHOQCYZNJBF-RTWAWAEBSA-N 1 0 482.629 2.890 20 0 JFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164833951 720319236 /nfs/dbraw/zinc/31/92/36/720319236.db2.gz YHAXYSWHSUMRMA-FCHUYYIVSA-N 1 0 451.571 2.718 20 0 JFADRO COc1cc2nc(C)nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2cc1OC ZINC001164823343 720319655 /nfs/dbraw/zinc/31/96/55/720319655.db2.gz ARWSZZWVTNVYNH-RTWAWAEBSA-N 1 0 453.587 2.867 20 0 JFADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164724520 720320279 /nfs/dbraw/zinc/32/02/79/720320279.db2.gz QSJXOHDVPKYBKJ-ICDZXHCJSA-N 1 0 464.610 2.871 20 0 JFADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)O1 ZINC001164724516 720320478 /nfs/dbraw/zinc/32/04/78/720320478.db2.gz QSJXOHDVPKYBKJ-CAOCKLPOSA-N 1 0 464.610 2.871 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)nc(N3CCOCC3)nc2Cl)CC1 ZINC001164826192 720323630 /nfs/dbraw/zinc/32/36/30/720323630.db2.gz FPULYQALFMXMDY-IRXDYDNUSA-N 1 0 483.444 2.532 20 0 JFADRO CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)O1 ZINC001164723707 720324959 /nfs/dbraw/zinc/32/49/59/720324959.db2.gz IQXNSBODYPJJGZ-YSIASYRMSA-N 1 0 484.975 2.888 20 0 JFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828738 720337788 /nfs/dbraw/zinc/33/77/88/720337788.db2.gz POJPKFBGMGGCPA-ZWKOTPCHSA-N 1 0 470.948 2.978 20 0 JFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2)C1 ZINC001164825286 720338045 /nfs/dbraw/zinc/33/80/45/720338045.db2.gz JGWQKSISRHXTPT-UEVCKROQSA-N 1 0 453.631 2.865 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164825307 720343153 /nfs/dbraw/zinc/34/31/53/720343153.db2.gz JKSGKFINUDHMBW-GCKMJXCFSA-N 1 0 475.943 2.847 20 0 JFADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724332 720361954 /nfs/dbraw/zinc/36/19/54/720361954.db2.gz JROPQNDERSRKPI-VXKWHMMOSA-N 1 0 460.563 2.917 20 0 JFADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc21 ZINC001164729313 720428236 /nfs/dbraw/zinc/42/82/36/720428236.db2.gz GWQGTYONFRENCA-FCHUYYIVSA-N 1 0 460.563 2.917 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc2N1[C@@H]1CCC(F)(F)C1 ZINC001164734910 720521449 /nfs/dbraw/zinc/52/14/49/720521449.db2.gz TUKQRSOVQZBFRW-KZNAEPCWSA-N 1 0 488.587 2.620 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164836343 720564298 /nfs/dbraw/zinc/56/42/98/720564298.db2.gz JPMXXGMUZZSMBD-IIDMSEBBSA-N 1 0 457.966 2.972 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1C ZINC001164841328 720592716 /nfs/dbraw/zinc/59/27/16/720592716.db2.gz RVNWTWSSACDXJN-SOLBZPMBSA-N 1 0 471.993 2.983 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843538 720593793 /nfs/dbraw/zinc/59/37/93/720593793.db2.gz XVYFSNICGLWROC-YQQAZPJKSA-N 1 0 457.966 2.972 20 0 JFADRO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCCCCC2)n1 ZINC001164843591 720597947 /nfs/dbraw/zinc/59/79/47/720597947.db2.gz YJKKGKCOXREACF-QHAWAJNXSA-N 1 0 454.623 2.835 20 0 JFADRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840144 720601874 /nfs/dbraw/zinc/60/18/74/720601874.db2.gz PDLSDWDZZAENAH-QNWVGRARSA-N 1 0 472.659 2.831 20 0 JFADRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC[C@@H]21 ZINC001164840142 720602901 /nfs/dbraw/zinc/60/29/01/720602901.db2.gz PDLSDWDZZAENAH-GIWBLDEGSA-N 1 0 472.659 2.831 20 0 JFADRO CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164743224 720821488 /nfs/dbraw/zinc/82/14/88/720821488.db2.gz RLVHGRNKXLPNKV-CEXWTWQISA-N 1 0 454.579 2.795 20 0 JFADRO CCOC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1OCC ZINC001164737370 720827470 /nfs/dbraw/zinc/82/74/70/720827470.db2.gz AKXBCWYMJVIJEK-IRFCIJBXSA-N 1 0 454.575 2.628 20 0 JFADRO COc1cc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC ZINC001164741638 720829709 /nfs/dbraw/zinc/82/97/09/720829709.db2.gz NZSLCEOEXDXXHF-XQBPLPMBSA-N 1 0 463.586 2.926 20 0 JFADRO CN(C)c1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164747959 720835550 /nfs/dbraw/zinc/83/55/50/720835550.db2.gz 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2.572 20 0 JFADRO COc1cc2nc(C)nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2cc1OC ZINC001164887124 721412714 /nfs/dbraw/zinc/41/27/14/721412714.db2.gz LBQIIASIWTYONG-CLOONOSVSA-N 1 0 455.603 2.721 20 0 JFADRO COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164897345 721427113 /nfs/dbraw/zinc/42/71/13/721427113.db2.gz SZDXFTBMEUYNMV-BJBPREMXSA-N 1 0 453.587 2.515 20 0 JFADRO COC(=O)C[C@H](c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1)C1CC1 ZINC001164891552 721431020 /nfs/dbraw/zinc/43/10/20/721431020.db2.gz GWJDZSIVYKSXTM-JCYRPKCISA-N 1 0 456.631 2.904 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5ccccc5nc4N4CCCC4)C3)O2)CC1 ZINC001164897950 721431395 /nfs/dbraw/zinc/43/13/95/721431395.db2.gz VFZUDHAVSYCDCY-HFZDXXHNSA-N 1 0 450.631 2.995 20 0 JFADRO CC1CCN(C(=O)c2cccnc2N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)CC1 ZINC001164890259 721434215 /nfs/dbraw/zinc/43/42/15/721434215.db2.gz CUTSNJCSYUCKBO-NVQXNPDNSA-N 1 0 455.647 2.719 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CCN(c6ccccc6)CC5)nn4)C3)O2)CC1 ZINC001164895358 721435881 /nfs/dbraw/zinc/43/58/81/721435881.db2.gz NWUQUTSNVDJAGU-LSYYVWMOSA-N 1 0 491.684 2.569 20 0 JFADRO COC(=O)c1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c2ccccc2c1OC ZINC001164900011 721442016 /nfs/dbraw/zinc/44/20/16/721442016.db2.gz ZYNSHKNNAADYKW-SIBVEZHUSA-N 1 0 468.598 2.795 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C3)O2)CC1 ZINC001164898427 721442483 /nfs/dbraw/zinc/44/24/83/721442483.db2.gz VYZNTDVKFQFCSR-LSYYVWMOSA-N 1 0 491.684 2.569 20 0 JFADRO Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(NC(=O)c2ccccc2)n1 ZINC001164898703 721444193 /nfs/dbraw/zinc/44/41/93/721444193.db2.gz WPEGRNUBZFENPJ-BKMJKUGQSA-N 1 0 464.614 2.803 20 0 JFADRO COc1ccc(CN(C)c2ccnc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)n2)cc1 ZINC001164891584 721445691 /nfs/dbraw/zinc/44/56/91/721445691.db2.gz HBONGOYWEXIJSW-RPLLCQBOSA-N 1 0 480.657 2.887 20 0 JFADRO CN(C)c1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc(Cl)n1 ZINC001164898482 721447497 /nfs/dbraw/zinc/44/74/97/721447497.db2.gz VZXBBNSXOCANMT-JXFKEZNVSA-N 1 0 458.985 2.506 20 0 JFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(=O)OC)n1)CC2 ZINC001164788647 721450703 /nfs/dbraw/zinc/45/07/03/721450703.db2.gz RZSBQUFFRTWZMC-KRWDZBQOSA-N 1 0 452.983 2.651 20 0 JFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(F)c3c1C(=O)NC3)CC2 ZINC001164789327 721461170 /nfs/dbraw/zinc/46/11/70/721461170.db2.gz WXUHZTXDTLTNNZ-MRXNPFEDSA-N 1 0 466.985 2.851 20 0 JFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164787885 721464211 /nfs/dbraw/zinc/46/42/11/721464211.db2.gz STNRLRHADASDCG-NRFANRHFSA-N 1 0 463.619 2.599 20 0 JFADRO COCCOC(=O)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164790681 721471158 /nfs/dbraw/zinc/47/11/58/721471158.db2.gz UTPYORPQQILBAC-JOCHJYFZSA-N 1 0 461.603 2.619 20 0 JFADRO CCOC[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)Cc2cnn(C)c21 ZINC001164793905 721477021 /nfs/dbraw/zinc/47/70/21/721477021.db2.gz ZPHUYZIPUMSZSO-QUCCMNQESA-N 1 0 484.645 2.754 20 0 JFADRO COC(=O)c1ccc(-c2ccc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2C)cc1 ZINC001164798254 721518186 /nfs/dbraw/zinc/51/81/86/721518186.db2.gz RBGAXFISCUPGFD-UHFFFAOYSA-N 1 0 460.582 2.808 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(-c4nc(-c5cccs5)no4)ccn2)CC3)CC1 ZINC001164795690 721520755 /nfs/dbraw/zinc/52/07/55/721520755.db2.gz ROOYLJZMYKVYAQ-UHFFFAOYSA-N 1 0 462.583 2.824 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN([C@@H](F)Oc2cccc(-c4ccc(Cl)nn4)c2)CC3)CC1 ZINC001164796486 721521020 /nfs/dbraw/zinc/52/10/20/721521020.db2.gz ZFGQNXLOHNSMMF-HSZRJFAPSA-N 1 0 471.968 2.889 20 0 JFADRO COc1ccc(Cc2c(C)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)nc2C)cc1 ZINC001164795412 721521279 /nfs/dbraw/zinc/52/12/79/721521279.db2.gz OUOGGXZPGPQLQP-UHFFFAOYSA-N 1 0 461.614 2.657 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cncc(OCc4cccc(Cl)c4)n2)CC3)CC1 ZINC001164795886 721522224 /nfs/dbraw/zinc/52/22/24/721522224.db2.gz ULXLFGCBVCXHHM-UHFFFAOYSA-N 1 0 453.978 2.673 20 0 JFADRO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164904629 721552446 /nfs/dbraw/zinc/55/24/46/721552446.db2.gz DZJVINFESPGYLA-PZJWPPBQSA-N 1 0 453.566 2.553 20 0 JFADRO Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164904625 721552799 /nfs/dbraw/zinc/55/27/99/721552799.db2.gz DZJVINFESPGYLA-CTNGQTDRSA-N 1 0 453.566 2.553 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c2cc1OC(C)=O ZINC001164805399 721568622 /nfs/dbraw/zinc/56/86/22/721568622.db2.gz NNPSUJFGSGUJDY-SLSDLSHTSA-N 1 0 491.548 2.744 20 0 JFADRO CN1c2cnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2N2CCC[C@@H]2C1=O ZINC001164905657 721706399 /nfs/dbraw/zinc/70/63/99/721706399.db2.gz IHEATPMMGXTNTM-JPYJTQIMSA-N 1 0 469.540 2.555 20 0 JFADRO O=S(=O)(c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1)N1CCCC1 ZINC001164913860 721724883 /nfs/dbraw/zinc/72/48/83/721724883.db2.gz YZWHGAKTBQOBJJ-JOCHJYFZSA-N 1 0 477.581 2.999 20 0 JFADRO O=C(NC1CCOCC1)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nn1 ZINC001164913433 721730332 /nfs/dbraw/zinc/73/03/32/721730332.db2.gz VRUZERLACJCQEK-QHCPKHFHSA-N 1 0 472.540 2.518 20 0 JFADRO NS(=O)(=O)c1ccc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912591 721731285 /nfs/dbraw/zinc/73/12/85/721731285.db2.gz OCNHIARVKPTHEC-GOSISDBHSA-N 1 0 457.934 2.515 20 0 JFADRO CCOC(=O)c1cnc(-c2cccs2)nc1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165011578 721735931 /nfs/dbraw/zinc/73/59/31/721735931.db2.gz RQPJXESHAPANAY-UHFFFAOYSA-N 1 0 457.600 2.905 20 0 JFADRO C[NH+]1CCN(c2ccc(N3C[C@H](c4ccccc4)[C@@]4(CCN(c5cccnc5)C4=O)C3)nn2)CC1 ZINC001164912837 721740112 /nfs/dbraw/zinc/74/01/12/721740112.db2.gz QLMMXMNWPDDSCF-YIXXDRMTSA-N 1 0 469.593 2.651 20 0 JFADRO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)C2 ZINC001164909410 721751601 /nfs/dbraw/zinc/75/16/01/721751601.db2.gz RQMGXRRXYQXEKP-UHFFFAOYSA-N 1 0 452.540 2.544 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)nc1 ZINC001165013570 721759923 /nfs/dbraw/zinc/75/99/23/721759923.db2.gz NWSNBGWEBIGGDZ-QFIPXVFZSA-N 1 0 450.587 2.930 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001165014824 721762775 /nfs/dbraw/zinc/76/27/75/721762775.db2.gz JWGJKRADVRZXJA-SQMBMXPBSA-N 1 0 472.630 2.511 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@@H]32)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165014823 721762782 /nfs/dbraw/zinc/76/27/82/721762782.db2.gz JWGJKRADVRZXJA-NKRSRWBGSA-N 1 0 472.630 2.511 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](OCC3CC3)[C@@H]3COC[C@H]32)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001165014826 721763113 /nfs/dbraw/zinc/76/31/13/721763113.db2.gz JWGJKRADVRZXJA-WJFJTQNHSA-N 1 0 472.630 2.511 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015545 721766298 /nfs/dbraw/zinc/76/62/98/721766298.db2.gz QWDTZIURJVLZMG-NRFANRHFSA-N 1 0 462.602 2.551 20 0 JFADRO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165025490 721817969 /nfs/dbraw/zinc/81/79/69/721817969.db2.gz MXRVRACDXAEKEL-ACIOBRDBSA-N 1 0 464.614 2.998 20 0 JFADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027063 721822650 /nfs/dbraw/zinc/82/26/50/721822650.db2.gz RNTRDTOUURMJHS-JFZQVSNESA-N 1 0 457.600 2.523 20 0 JFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CCOCC4)nn3)C[C@H]21 ZINC001165021428 721827223 /nfs/dbraw/zinc/82/72/23/721827223.db2.gz FPLBXCHTQDTMQW-QTGUNEKASA-N 1 0 450.587 2.517 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(S(N)(=O)=O)cc2Cl)CC1 ZINC001165022490 721840459 /nfs/dbraw/zinc/84/04/59/721840459.db2.gz UEVOELNUULWXKP-UHFFFAOYSA-N 1 0 454.980 2.500 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 ZINC001165023391 721843500 /nfs/dbraw/zinc/84/35/00/721843500.db2.gz ZOWOFHHTCNMDEN-UHFFFAOYSA-N 1 0 474.627 2.984 20 0 JFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929174 721878928 /nfs/dbraw/zinc/87/89/28/721878928.db2.gz AGZYJLUXUWOSGE-VQTJNVASSA-N 1 0 470.687 2.617 20 0 JFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)CC3)C2)cc1 ZINC001164939979 721921214 /nfs/dbraw/zinc/92/12/14/721921214.db2.gz XQCFAQWXGJFUJN-UHFFFAOYSA-N 1 0 450.583 2.734 20 0 JFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc5c(n4)N4CCC[C@H]4C(=O)N5C)CC3)C2)cc1 ZINC001164940558 721926785 /nfs/dbraw/zinc/92/67/85/721926785.db2.gz TWTQAQZGFHOPEA-NRFANRHFSA-N 1 0 462.598 2.602 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3CC[NH+](CCOc4ccccc4)CC3)c2cc1OC(C)=O ZINC001165045464 721958282 /nfs/dbraw/zinc/95/82/82/721958282.db2.gz VALGHHYZMPSXLF-UHFFFAOYSA-N 1 0 450.495 2.681 20 0 JFADRO O=C1NCCN(Cc2ccccc2)C12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164947019 721972221 /nfs/dbraw/zinc/97/22/21/721972221.db2.gz ZZTCZYJKMQNOPL-UHFFFAOYSA-N 1 0 455.006 2.568 20 0 JFADRO O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164954960 721991410 /nfs/dbraw/zinc/99/14/10/721991410.db2.gz YGXRCIPQZPKUOW-HFZDXXHNSA-N 1 0 497.665 2.635 20 0 JFADRO O=S(=O)(C1CC1)N(C[C@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1nc(Cl)ccc1CN1CCCC1 ZINC001164947370 721991496 /nfs/dbraw/zinc/99/14/96/721991496.db2.gz CLCXPROLJCACMA-GCJKJVERSA-N 1 0 469.051 2.931 20 0 JFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164961482 722059766 /nfs/dbraw/zinc/05/97/66/722059766.db2.gz KSWFSVGNIXCVRE-UHFFFAOYSA-N 1 0 473.643 2.626 20 0 JFADRO CCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C(=O)OCC ZINC001164966018 722062329 /nfs/dbraw/zinc/06/23/29/722062329.db2.gz NIDBIMOGBAAXKY-UHFFFAOYSA-N 1 0 482.581 2.949 20 0 JFADRO COC(=O)[C@@H](C)c1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164966352 722062550 /nfs/dbraw/zinc/06/25/50/722062550.db2.gz RLAPEXBSEDCDCO-KRWDZBQOSA-N 1 0 459.978 2.921 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)nc1 ZINC001164978675 722093755 /nfs/dbraw/zinc/09/37/55/722093755.db2.gz JBNHLDSBEKRSEX-ZZLPTCMGSA-N 1 0 452.603 2.918 20 0 JFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164980303 722133426 /nfs/dbraw/zinc/13/34/26/722133426.db2.gz MPLCKHQILDRGBQ-UGKGYDQZSA-N 1 0 453.587 2.681 20 0 JFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983846 722136485 /nfs/dbraw/zinc/13/64/85/722136485.db2.gz VRURBASIQXQLLW-YJBOKZPZSA-N 1 0 451.905 2.501 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164976134 722137544 /nfs/dbraw/zinc/13/75/44/722137544.db2.gz HJPPWULXDOUWGA-WBVHZDCISA-N 1 0 456.934 2.520 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164976133 722137605 /nfs/dbraw/zinc/13/76/05/722137605.db2.gz HJPPWULXDOUWGA-RDJZCZTQSA-N 1 0 456.934 2.520 20 0 JFADRO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164973015 722158774 /nfs/dbraw/zinc/15/87/74/722158774.db2.gz JXLPUHJPQMHYJG-WMZOPIPTSA-N 1 0 486.972 2.806 20 0 JFADRO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164989466 722188997 /nfs/dbraw/zinc/18/89/97/722188997.db2.gz FPHZINQPQXKFRB-UHFFFAOYSA-N 1 0 491.970 2.512 20 0 JFADRO CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2 ZINC001164990684 722190668 /nfs/dbraw/zinc/19/06/68/722190668.db2.gz VWPREZQDTWDISC-UHFFFAOYSA-N 1 0 479.963 2.931 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995665 722205576 /nfs/dbraw/zinc/20/55/76/722205576.db2.gz OUTVPOVTIXCNMR-VWLOTQADSA-N 1 0 469.561 2.874 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002749 722241848 /nfs/dbraw/zinc/24/18/48/722241848.db2.gz FVEJXHRINLQEFW-DENIHFKCSA-N 1 0 460.586 2.681 20 0 JFADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@@]5(C4)COCCN(c4ncccn4)C5)ccc3C2)cc1 ZINC001165005908 722246327 /nfs/dbraw/zinc/24/63/27/722246327.db2.gz VWXKFQXDPAVDSC-HHHXNRCGSA-N 1 0 472.593 2.542 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1CN(Cc1ccccc1)CC3)CCC2 ZINC001165000578 722251372 /nfs/dbraw/zinc/25/13/72/722251372.db2.gz SRLUCBDSENJHMD-UHFFFAOYSA-N 1 0 461.614 2.720 20 0 JFADRO COc1ccc(OC)c(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)c1 ZINC001165003625 722257045 /nfs/dbraw/zinc/25/70/45/722257045.db2.gz FNHUFAGEHPBTKX-UHFFFAOYSA-N 1 0 452.559 2.846 20 0 JFADRO O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001299740593 1059494229 /nfs/dbraw/zinc/49/42/29/1059494229.db2.gz CVRDODVOBOLBOB-OAQYLSRUSA-N 1 0 451.596 2.989 20 0 JFADRO O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001299740687 1059495150 /nfs/dbraw/zinc/49/51/50/1059495150.db2.gz IEJCCVPJBSYGJL-LJQANCHMSA-N 1 0 455.584 2.642 20 0 JFADRO C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001264017295 1059505880 /nfs/dbraw/zinc/50/58/80/1059505880.db2.gz JEQBPUWQKSVTCM-KDYSTLNUSA-N 1 0 473.577 2.909 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001299742390 1059577567 /nfs/dbraw/zinc/57/75/67/1059577567.db2.gz DKGPJUOMLPVDEE-GREBRCKQSA-N 1 0 478.663 2.505 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001299742396 1059580239 /nfs/dbraw/zinc/58/02/39/1059580239.db2.gz DKGPJUOMLPVDEE-QMHWCDLVSA-N 1 0 478.663 2.505 20 0 JFADRO C[NH+](C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001264611124 1059626197 /nfs/dbraw/zinc/62/61/97/1059626197.db2.gz WXANSGWWJGPOSG-JOCHJYFZSA-N 1 0 452.599 2.823 20 0 JFADRO C[C@@H](NC(=O)c1nc(S(C)(=O)=O)ccc1Cl)c1cc(F)ccc1N1CC[NH+](C)CC1 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1061188160 /nfs/dbraw/zinc/18/81/60/1061188160.db2.gz PSCOMWPAURVPBN-QNWVGRARSA-N 1 0 467.662 2.937 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001286852417 1061190206 /nfs/dbraw/zinc/19/02/06/1061190206.db2.gz WPANBCUVNOQJJJ-TUACAJSNSA-N 1 0 468.646 2.997 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001286852971 1061193199 /nfs/dbraw/zinc/19/31/99/1061193199.db2.gz VWNOFVYYKYWJTK-FUHWJXTLSA-N 1 0 460.573 2.934 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001286855007 1061206766 /nfs/dbraw/zinc/20/67/66/1061206766.db2.gz XJZIGLCCBHUPDP-HKUYNNGSSA-N 1 0 458.582 2.784 20 0 JFADRO CC(=O)N1CCC(Cn2c(COc3ccccc3F)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001286856409 1061212934 /nfs/dbraw/zinc/21/29/34/1061212934.db2.gz JDCRZDXWAGSQDN-UHFFFAOYSA-N 1 0 458.582 2.785 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@H](C[N@H+]4CCCC[C@@H]4C)C3)n2CCCNS(C)(=O)=O)o1 ZINC001289585417 1061229303 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/nfs/dbraw/zinc/26/58/95/1061265895.db2.gz IPPCZPOCXWOCPS-XUZZJYLKSA-N 1 0 495.672 2.547 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870832 1061267799 /nfs/dbraw/zinc/26/77/99/1061267799.db2.gz KQXXABDSYKIAJG-OFNKIYASSA-N 1 0 471.650 2.715 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001286871159 1061270300 /nfs/dbraw/zinc/27/03/00/1061270300.db2.gz MJMVVDHDEYFCQN-QPPBQGQZSA-N 1 0 498.676 2.567 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001286872027 1061276064 /nfs/dbraw/zinc/27/60/64/1061276064.db2.gz MPXZHULKWDBPBO-NRFANRHFSA-N 1 0 484.645 2.550 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@@H]2C)CC1 ZINC001286872143 1061276519 /nfs/dbraw/zinc/27/65/19/1061276519.db2.gz SITBMRXEDXFZIT-PXNSSMCTSA-N 1 0 494.587 2.897 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@H]2C)CC1 ZINC001286872948 1061283094 /nfs/dbraw/zinc/28/30/94/1061283094.db2.gz ZEWBJKJCNJRTFR-AUSIDOKSSA-N 1 0 468.646 3.000 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286872949 1061283149 /nfs/dbraw/zinc/28/31/49/1061283149.db2.gz ZEWBJKJCNJRTFR-CVDCTZTESA-N 1 0 468.646 3.000 20 0 JFADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC001289662713 1061283484 /nfs/dbraw/zinc/28/34/84/1061283484.db2.gz OPMPUTUTIYLVTD-RTWAWAEBSA-N 1 0 474.675 2.866 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@H]2C)CC1 ZINC001286872969 1061283758 /nfs/dbraw/zinc/28/37/58/1061283758.db2.gz ZLBVUXLEZNYKJX-KNQAVFIVSA-N 1 0 471.675 2.861 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001286874431 1061288941 /nfs/dbraw/zinc/28/89/41/1061288941.db2.gz QKHFUTLYFKRXQC-MRXNPFEDSA-N 1 0 478.439 2.969 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286875143 1061291422 /nfs/dbraw/zinc/29/14/22/1061291422.db2.gz WMHNCUZMOTZXMX-UHFFFAOYSA-N 1 0 478.439 2.589 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC001286878145 1061296742 /nfs/dbraw/zinc/29/67/42/1061296742.db2.gz OLLSDWLOYATPKY-IBGZPJMESA-N 1 0 454.623 2.550 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC001286878570 1061298527 /nfs/dbraw/zinc/29/85/27/1061298527.db2.gz YSOSVOZPSZOILC-QRVBRYPASA-N 1 0 454.623 2.549 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001286879656 1061301421 /nfs/dbraw/zinc/30/14/21/1061301421.db2.gz HCYBFRYJFQMICQ-XQBPLPMBSA-N 1 0 454.619 2.968 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)[C@@H](C)C1 ZINC001286880150 1061302012 /nfs/dbraw/zinc/30/20/12/1061302012.db2.gz NMPMKMHVRZFDHI-FPOVZHCZSA-N 1 0 489.665 2.545 20 0 JFADRO Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001289692984 1061303502 /nfs/dbraw/zinc/30/35/02/1061303502.db2.gz FZPXODYAKOHPLL-UHFFFAOYSA-N 1 0 453.616 2.799 20 0 JFADRO CC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001286881589 1061306779 /nfs/dbraw/zinc/30/67/79/1061306779.db2.gz BBWNYXYGCZNDOZ-QFIPXVFZSA-N 1 0 482.673 2.746 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC001286882788 1061310887 /nfs/dbraw/zinc/31/08/87/1061310887.db2.gz IZDDBYPMWZCNBN-SFTDATJTSA-N 1 0 454.619 2.954 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC001286882787 1061310949 /nfs/dbraw/zinc/31/09/49/1061310949.db2.gz IZDDBYPMWZCNBN-RTWAWAEBSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001289700351 1061311205 /nfs/dbraw/zinc/31/12/05/1061311205.db2.gz PHKJZXKXGZPDPA-XMMPIXPASA-N 1 0 468.646 2.785 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286882938 1061312424 /nfs/dbraw/zinc/31/24/24/1061312424.db2.gz KPVISCNEMHRLDI-JOCHJYFZSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001289700610 1061313439 /nfs/dbraw/zinc/31/34/39/1061313439.db2.gz VZBBIOLTBFNBLU-QHCPKHFHSA-N 1 0 486.636 2.924 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001289701038 1061314038 /nfs/dbraw/zinc/31/40/38/1061314038.db2.gz OPKASAIFLZVUEL-DENIHFKCSA-N 1 0 454.619 2.573 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)[NH+]2CCCC2)[C@@H](C)C1 ZINC001286885541 1061323792 /nfs/dbraw/zinc/32/37/92/1061323792.db2.gz YGTDTVOHLDDXBG-LAUBAEHRSA-N 1 0 459.664 2.811 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2=O)cc1 ZINC001289716826 1061325029 /nfs/dbraw/zinc/32/50/29/1061325029.db2.gz RCHMNCNAGNXJKR-OAQYLSRUSA-N 1 0 462.602 2.873 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886141 1061326972 /nfs/dbraw/zinc/32/69/72/1061326972.db2.gz AXONABBZLCUCNO-FUPPJEDESA-N 1 0 473.710 2.686 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886260 1061328150 /nfs/dbraw/zinc/32/81/50/1061328150.db2.gz BQJPBPQBCXUOEM-NRSPTQNISA-N 1 0 487.718 2.929 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001289721740 1061329245 /nfs/dbraw/zinc/32/92/45/1061329245.db2.gz QDYUNBVFVYJVKQ-NHCUHLMSSA-N 1 0 490.674 2.747 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@@H]2C)CC1 ZINC001286886683 1061331083 /nfs/dbraw/zinc/33/10/83/1061331083.db2.gz HMPKZOYXFIHSJU-RBBKRZOGSA-N 1 0 459.683 2.655 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001289723143 1061331691 /nfs/dbraw/zinc/33/16/91/1061331691.db2.gz RTJNHLQNEAZLAE-NRFANRHFSA-N 1 0 450.591 2.857 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)cc1C ZINC001289727386 1061336077 /nfs/dbraw/zinc/33/60/77/1061336077.db2.gz OQXUJBAFQFDEOM-GOSISDBHSA-N 1 0 490.674 2.750 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC001289727894 1061336986 /nfs/dbraw/zinc/33/69/86/1061336986.db2.gz VEXSWVHILPBIMT-FQEVSTJZSA-N 1 0 481.645 2.840 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286887573 1061337693 /nfs/dbraw/zinc/33/76/93/1061337693.db2.gz SPQDRXQOLUUEAZ-JTHBVZDNSA-N 1 0 459.683 2.656 20 0 JFADRO CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887571 1061337745 /nfs/dbraw/zinc/33/77/45/1061337745.db2.gz SPQDRXQOLUUEAZ-GGAORHGYSA-N 1 0 459.683 2.656 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC(Cn4ccnn4)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289732468 1061342408 /nfs/dbraw/zinc/34/24/08/1061342408.db2.gz GAFFHMNISGCZHD-UHFFFAOYSA-N 1 0 479.633 2.996 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289732453 1061342530 /nfs/dbraw/zinc/34/25/30/1061342530.db2.gz FOSAZOSVPIGDBD-QFIPXVFZSA-N 1 0 483.661 2.646 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)C)cc1C ZINC001289738437 1061350973 /nfs/dbraw/zinc/35/09/73/1061350973.db2.gz NGQBJNYXCGCKNR-QFIPXVFZSA-N 1 0 481.645 2.984 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCNC(=O)C(C)C)cc1C ZINC001289738436 1061350999 /nfs/dbraw/zinc/35/09/99/1061350999.db2.gz NGQBJNYXCGCKNR-JOCHJYFZSA-N 1 0 481.645 2.984 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CC(=O)NC(C)C)cc1C ZINC001289738728 1061351337 /nfs/dbraw/zinc/35/13/37/1061351337.db2.gz NLOXDOXXIVLAPZ-NRFANRHFSA-N 1 0 467.618 2.736 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001289740748 1061355088 /nfs/dbraw/zinc/35/50/88/1061355088.db2.gz PEZMXAWGYSCVRW-FPOVZHCZSA-N 1 0 481.645 2.935 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001289740750 1061355183 /nfs/dbraw/zinc/35/51/83/1061355183.db2.gz PEZMXAWGYSCVRW-TZIWHRDSSA-N 1 0 481.645 2.935 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2CCCC2)cc1C ZINC001289740757 1061355688 /nfs/dbraw/zinc/35/56/88/1061355688.db2.gz PGZBUHBUNNGPPK-UHFFFAOYSA-N 1 0 481.645 2.938 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289741468 1061356992 /nfs/dbraw/zinc/35/69/92/1061356992.db2.gz YNDQCQQVUPWYMY-NHCUHLMSSA-N 1 0 481.645 2.969 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001289742529 1061358161 /nfs/dbraw/zinc/35/81/61/1061358161.db2.gz BNZOJIYPOZRBDZ-UHFFFAOYSA-N 1 0 470.618 2.873 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CCCCC[NH+]2CCCC2)cc1C ZINC001289746488 1061363392 /nfs/dbraw/zinc/36/33/92/1061363392.db2.gz IIASDRHMDJLNIJ-UHFFFAOYSA-N 1 0 472.659 2.982 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001289746326 1061363626 /nfs/dbraw/zinc/36/36/26/1061363626.db2.gz GWDUVCJMOQUHNH-RTWAWAEBSA-N 1 0 470.618 2.873 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289748034 1061367396 /nfs/dbraw/zinc/36/73/96/1061367396.db2.gz WNCKLUBJIMUQCI-IXFSTUDKSA-N 1 0 458.632 2.544 20 0 JFADRO CC(=O)Nc1ccc(CCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001286893996 1061370902 /nfs/dbraw/zinc/37/09/02/1061370902.db2.gz ZVUAQMKWDSUUCD-UHFFFAOYSA-N 1 0 481.645 2.521 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001289750678 1061371924 /nfs/dbraw/zinc/37/19/24/1061371924.db2.gz JUOZYAKBWBVUDB-IBGZPJMESA-N 1 0 476.585 2.793 20 0 JFADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cccn4C)n3C[C@@H](C)[NH+](C)C)CC2)nc1 ZINC001289751116 1061373042 /nfs/dbraw/zinc/37/30/42/1061373042.db2.gz QBFCHKSPMXBIKD-GOSISDBHSA-N 1 0 450.591 2.792 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCCCC2)cc1 ZINC001289751127 1061373159 /nfs/dbraw/zinc/37/31/59/1061373159.db2.gz QEJZBRAXFVBJAH-UHFFFAOYSA-N 1 0 455.607 2.676 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001289755044 1061377518 /nfs/dbraw/zinc/37/75/18/1061377518.db2.gz ZFSQFWYLMMVMKA-FQEVSTJZSA-N 1 0 463.586 2.692 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001289756009 1061378843 /nfs/dbraw/zinc/37/88/43/1061378843.db2.gz ICWRRPTYRHGWMW-OAQYLSRUSA-N 1 0 481.645 2.904 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001289757884 1061379942 /nfs/dbraw/zinc/37/99/42/1061379942.db2.gz WMCKMYDJBNGGDE-MBSDFSHPSA-N 1 0 458.632 2.603 20 0 JFADRO Cc1ccc(O[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001289759337 1061381233 /nfs/dbraw/zinc/38/12/33/1061381233.db2.gz LGSZKEVRWGFYJO-OAQYLSRUSA-N 1 0 454.619 2.922 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286897973 1061383921 /nfs/dbraw/zinc/38/39/21/1061383921.db2.gz UPKVAQCTIYQXLF-LAXGTINGSA-N 1 0 496.660 2.929 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289768902 1061389565 /nfs/dbraw/zinc/38/95/65/1061389565.db2.gz MTBYGUFJFUZQIH-VQTJNVASSA-N 1 0 493.674 2.534 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CCS(C)(=O)=O)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289786248 1061410825 /nfs/dbraw/zinc/41/08/25/1061410825.db2.gz DUUAVIKUWWLADW-SFHVURJKSA-N 1 0 463.648 2.687 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286905304 1061418196 /nfs/dbraw/zinc/41/81/96/1061418196.db2.gz MWGOGTHKAJWRAY-PZJWPPBQSA-N 1 0 482.633 2.685 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001289792759 1061426562 /nfs/dbraw/zinc/42/65/62/1061426562.db2.gz WESKAKRCVXVQPU-ICSRJNTNSA-N 1 0 452.559 2.728 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001289805477 1061442859 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/nfs/dbraw/zinc/46/37/98/1061463798.db2.gz XWEGBHDUZVSCAR-CTNGQTDRSA-N 1 0 454.619 2.988 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001286912396 1061469667 /nfs/dbraw/zinc/46/96/67/1061469667.db2.gz KRVXFESUNGOBFC-XMMPIXPASA-N 1 0 461.614 2.891 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCC2)C1 ZINC001286913244 1061473192 /nfs/dbraw/zinc/47/31/92/1061473192.db2.gz TWQBMOTUGDHSAO-LJQANCHMSA-N 1 0 491.434 2.820 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C4CC4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001289818644 1061476190 /nfs/dbraw/zinc/47/61/90/1061476190.db2.gz GQKLFXHEDAUZPR-UHFFFAOYSA-N 1 0 454.619 2.954 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001286914759 1061486403 /nfs/dbraw/zinc/48/64/03/1061486403.db2.gz ZGFFWWUJLKADGS-PKTZIBPZSA-N 1 0 482.608 2.687 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289824753 1061492223 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BWSMCGXLZSINFE-QHCPKHFHSA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286918594 1061506160 /nfs/dbraw/zinc/50/61/60/1061506160.db2.gz RPQIHUHLRZASQY-HDICACEKSA-N 1 0 458.582 2.688 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001286919026 1061507959 /nfs/dbraw/zinc/50/79/59/1061507959.db2.gz KULUDHMTWKIHSL-LJQANCHMSA-N 1 0 472.609 2.614 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286920075 1061512469 /nfs/dbraw/zinc/51/24/69/1061512469.db2.gz ZRPBTMUJQNXKSC-HXUWFJFHSA-N 1 0 461.614 2.889 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001286921040 1061515185 /nfs/dbraw/zinc/51/51/85/1061515185.db2.gz HQDGVDQUISRVCD-ICSRJNTNSA-N 1 0 490.649 2.959 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCOc1ccc(C)cc1 ZINC001289840601 1061515454 /nfs/dbraw/zinc/51/54/54/1061515454.db2.gz FOAGRDVWVOCMEV-XMMPIXPASA-N 1 0 456.635 2.595 20 0 JFADRO Cc1ccc(OCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC001289842583 1061517824 /nfs/dbraw/zinc/51/78/24/1061517824.db2.gz SMOXSLVZMOEOLT-RTWAWAEBSA-N 1 0 490.674 2.730 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001286921669 1061518134 /nfs/dbraw/zinc/51/81/34/1061518134.db2.gz IQMLTNFUGYSENQ-UPVQGACJSA-N 1 0 495.672 2.914 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001286921734 1061518901 /nfs/dbraw/zinc/51/89/01/1061518901.db2.gz NFRUPQSPBAIGGW-WATLYSKOSA-N 1 0 488.633 2.567 20 0 JFADRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@@H]2C1 ZINC001289852182 1061524464 /nfs/dbraw/zinc/52/44/64/1061524464.db2.gz XMNHEYZXYACMHL-CYZMBNFOSA-N 1 0 453.362 2.750 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001286923334 1061526277 /nfs/dbraw/zinc/52/62/77/1061526277.db2.gz JKNJUKOGHSJRJD-UPVQGACJSA-N 1 0 495.672 2.549 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001289855920 1061532475 /nfs/dbraw/zinc/53/24/75/1061532475.db2.gz KJIIKTRVMMWLFH-UHFFFAOYSA-N 1 0 474.656 2.824 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286926374 1061538598 /nfs/dbraw/zinc/53/85/98/1061538598.db2.gz HAWQYMASGJJETO-NFBKMPQASA-N 1 0 454.619 2.858 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001286926849 1061541660 /nfs/dbraw/zinc/54/16/60/1061541660.db2.gz HJNZPSYDZMRYLC-LADGPHEKSA-N 1 0 461.614 2.919 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCOCC[NH+](C)C)cc1 ZINC001289862033 1061544105 /nfs/dbraw/zinc/54/41/05/1061544105.db2.gz BCOFFNNUFMRYMJ-LEWJYISDSA-N 1 0 472.659 2.704 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001286928870 1061549850 /nfs/dbraw/zinc/54/98/50/1061549850.db2.gz MWBQNJMLDRBLNE-OFVILXPXSA-N 1 0 486.686 2.955 20 0 JFADRO Cc1ccc(SCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868203 1061549878 /nfs/dbraw/zinc/54/98/78/1061549878.db2.gz PKJROHKNWHXQIZ-PMACEKPBSA-N 1 0 493.699 2.613 20 0 JFADRO Cc1ccc(SCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCOCCS(C)(=O)=O)cc1 ZINC001289868210 1061549914 /nfs/dbraw/zinc/54/99/14/1061549914.db2.gz PKJROHKNWHXQIZ-WOJBJXKFSA-N 1 0 493.699 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286929194 1061550660 /nfs/dbraw/zinc/55/06/60/1061550660.db2.gz NGHMBZNOHXKVOC-BJKOFHAPSA-N 1 0 467.662 2.984 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC([NH+]4CCCCC4)CC3)n2CCNS(C)(=O)=O)cc1 ZINC001289869488 1061552194 /nfs/dbraw/zinc/55/21/94/1061552194.db2.gz FQBZPGGCORERIC-UHFFFAOYSA-N 1 0 492.715 2.883 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286929745 1061552537 /nfs/dbraw/zinc/55/25/37/1061552537.db2.gz XVOBEGYSKNQJGX-JTHBVZDNSA-N 1 0 454.619 2.654 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001286929898 1061553593 /nfs/dbraw/zinc/55/35/93/1061553593.db2.gz QQNJXVPBYMVVMT-QFIPXVFZSA-N 1 0 460.667 2.864 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001286930661 1061555984 /nfs/dbraw/zinc/55/59/84/1061555984.db2.gz RWIVNYBELDTTIW-NZQKXSOJSA-N 1 0 453.635 2.738 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286932228 1061560714 /nfs/dbraw/zinc/56/07/14/1061560714.db2.gz PBHFEQYNEUAJQW-GJZUVCINSA-N 1 0 490.693 2.792 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCCC2)CC1 ZINC001286932259 1061560804 /nfs/dbraw/zinc/56/08/04/1061560804.db2.gz PWQFWXSZPRVTJJ-UHFFFAOYSA-N 1 0 462.545 2.995 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001289876928 1061561063 /nfs/dbraw/zinc/56/10/63/1061561063.db2.gz HEMKIGUEIOHMQD-RDPSFJRHSA-N 1 0 475.659 2.576 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286933048 1061564439 /nfs/dbraw/zinc/56/44/39/1061564439.db2.gz RQNKNUMYVACDEN-QZTJIDSGSA-N 1 0 490.052 2.845 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286933722 1061566406 /nfs/dbraw/zinc/56/64/06/1061566406.db2.gz MEGQGGMRCBOEBG-LJQANCHMSA-N 1 0 462.602 2.608 20 0 JFADRO Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001289883277 1061566968 /nfs/dbraw/zinc/56/69/68/1061566968.db2.gz AKHPZMHBGBKLGV-GOSISDBHSA-N 1 0 480.704 2.956 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001286934163 1061568019 /nfs/dbraw/zinc/56/80/19/1061568019.db2.gz RQYXRYTXAXAJKV-UHFFFAOYSA-N 1 0 476.629 2.976 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286934447 1061569964 /nfs/dbraw/zinc/56/99/64/1061569964.db2.gz SWBITRHQFXLMOZ-PMACEKPBSA-N 1 0 468.650 2.846 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC001289889255 1061571563 /nfs/dbraw/zinc/57/15/63/1061571563.db2.gz ATFLJZGWBPFAKL-QFIPXVFZSA-N 1 0 468.646 2.764 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294093451 1061571964 /nfs/dbraw/zinc/57/19/64/1061571964.db2.gz DQHUFJMIIACOQX-LEWJYISDSA-N 1 0 489.690 2.582 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286935854 1061575741 /nfs/dbraw/zinc/57/57/41/1061575741.db2.gz XQLDLZHAXBYSJO-QHCPKHFHSA-N 1 0 480.661 2.845 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(COc3ccccc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286936079 1061576601 /nfs/dbraw/zinc/57/66/01/1061576601.db2.gz VCAPNDRPJXHTMO-XMMPIXPASA-N 1 0 490.649 2.786 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(CC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC001289890995 1061576967 /nfs/dbraw/zinc/57/69/67/1061576967.db2.gz ZNAYBQIRMSDCRR-DEOSSOPVSA-N 1 0 481.689 2.820 20 0 JFADRO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(C)(C)C)no2)CC[N@@H+]1CCOC ZINC001294098226 1061577913 /nfs/dbraw/zinc/57/79/13/1061577913.db2.gz UOJPSRINOUTLPI-IBGZPJMESA-N 1 0 487.649 2.671 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(N3CC[NH+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001289893320 1061578067 /nfs/dbraw/zinc/57/80/67/1061578067.db2.gz HMORZHTVZIDOCO-HHHXNRCGSA-N 1 0 498.672 2.978 20 0 JFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC001294100861 1061581131 /nfs/dbraw/zinc/58/11/31/1061581131.db2.gz HIVQSOFPEFIYAA-UHFFFAOYSA-N 1 0 454.409 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC001286940593 1061583615 /nfs/dbraw/zinc/58/36/15/1061583615.db2.gz CKLAKIVQRAKXNP-SIKLNZKXSA-N 1 0 477.613 2.811 20 0 JFADRO C[N@H+](CCNC(=O)C1CCN(C(=O)c2ncccc2Br)CC1)Cc1ccccc1 ZINC001294103713 1061583593 /nfs/dbraw/zinc/58/35/93/1061583593.db2.gz QLHOCPVQMFUAJR-UHFFFAOYSA-N 1 0 459.388 2.945 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294104398 1061584435 /nfs/dbraw/zinc/58/44/35/1061584435.db2.gz ONRVJIFMEDGQPV-VAMGGRTRSA-N 1 0 488.599 2.951 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCC2)CCO1 ZINC001286941745 1061591547 /nfs/dbraw/zinc/59/15/47/1061591547.db2.gz PJDYVMZLIOJCPY-FQEVSTJZSA-N 1 0 491.434 2.535 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001289908204 1061596234 /nfs/dbraw/zinc/59/62/34/1061596234.db2.gz FAGUBMDVMHPUCF-NHCUHLMSSA-N 1 0 476.629 2.559 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)Cc2ccccc2)n1 ZINC001289909190 1061598619 /nfs/dbraw/zinc/59/86/19/1061598619.db2.gz IGNBVSFZOHQBMN-OAQYLSRUSA-N 1 0 468.627 2.794 20 0 JFADRO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294117349 1061599253 /nfs/dbraw/zinc/59/92/53/1061599253.db2.gz WOJVKSQAILLYCX-DENIHFKCSA-N 1 0 475.682 2.766 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001289909558 1061599753 /nfs/dbraw/zinc/59/97/53/1061599753.db2.gz QMVGNZQEGHSRRX-WSTZPKSXSA-N 1 0 462.664 2.886 20 0 JFADRO CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001286944048 1061608383 /nfs/dbraw/zinc/60/83/83/1061608383.db2.gz BDGYCQGQMIWXKA-LJQANCHMSA-N 1 0 498.607 2.529 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001286944473 1061612776 /nfs/dbraw/zinc/61/27/76/1061612776.db2.gz AQWOKNIKBPWQAX-AUSIDOKSSA-N 1 0 488.608 2.602 20 0 JFADRO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001294136492 1061619737 /nfs/dbraw/zinc/61/97/37/1061619737.db2.gz GUGZKHMCNGDJCL-XVAXZDLZSA-N 1 0 482.695 2.502 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001289931071 1061622455 /nfs/dbraw/zinc/62/24/55/1061622455.db2.gz GIZRWCLIVJSZFP-JOCHJYFZSA-N 1 0 463.630 2.937 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001294141004 1061629296 /nfs/dbraw/zinc/62/92/96/1061629296.db2.gz YXWHPAMEBFJDFL-MBSDFSHPSA-N 1 0 457.596 2.584 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286946190 1061631097 /nfs/dbraw/zinc/63/10/97/1061631097.db2.gz JSBHQQDCVUGIGE-ZCVJKFOLSA-N 1 0 468.646 2.639 20 0 JFADRO CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cn1 ZINC001294145123 1061631365 /nfs/dbraw/zinc/63/13/65/1061631365.db2.gz HAIGWLZYZXPVDN-UHFFFAOYSA-N 1 0 458.603 2.881 20 0 JFADRO O=C(Cc1ccccc1O[C@H]1CCOC1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294147365 1061633395 /nfs/dbraw/zinc/63/33/95/1061633395.db2.gz RKRNBZHJRNBSMH-QHCPKHFHSA-N 1 0 457.615 2.628 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001286946310 1061634084 /nfs/dbraw/zinc/63/40/84/1061634084.db2.gz JRVNVIQWJJVQSH-DEOSSOPVSA-N 1 0 496.656 2.758 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286947290 1061640941 /nfs/dbraw/zinc/64/09/41/1061640941.db2.gz SVEQMOLUNMMJOQ-NQIIRXRSSA-N 1 0 474.675 2.782 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286947293 1061640983 /nfs/dbraw/zinc/64/09/83/1061640983.db2.gz SVEQMOLUNMMJOQ-WIYYLYMNSA-N 1 0 474.675 2.782 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286947297 1061642099 /nfs/dbraw/zinc/64/20/99/1061642099.db2.gz SXENEOQBAZCBGY-CVDCTZTESA-N 1 0 482.654 2.792 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](CN4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289950537 1061643540 /nfs/dbraw/zinc/64/35/40/1061643540.db2.gz GYPUZUYUODCYPC-FGZHOGPDSA-N 1 0 455.651 2.783 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948071 1061652953 /nfs/dbraw/zinc/65/29/53/1061652953.db2.gz OSIJJQBJDVOJGE-WMZHIEFXSA-N 1 0 490.599 2.609 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001294164882 1061656003 /nfs/dbraw/zinc/65/60/03/1061656003.db2.gz FPWUHWKVVTVAJZ-UHFFFAOYSA-N 1 0 452.607 2.520 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001286948250 1061656350 /nfs/dbraw/zinc/65/63/50/1061656350.db2.gz VCBUHQMSUDNYQO-QHCPKHFHSA-N 1 0 484.645 2.690 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286948347 1061657449 /nfs/dbraw/zinc/65/74/49/1061657449.db2.gz QKPFHPFXALMTBA-BJKOFHAPSA-N 1 0 486.636 2.860 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)C3=NO[C@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001289958124 1061657388 /nfs/dbraw/zinc/65/73/88/1061657388.db2.gz PBEGDDXRPUEADK-DEOSSOPVSA-N 1 0 457.575 2.923 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCC[N@@H+](C)Cc2ccccc2)n1 ZINC001289960949 1061667357 /nfs/dbraw/zinc/66/73/57/1061667357.db2.gz YMPNRUBCPPIAEN-UHFFFAOYSA-N 1 0 497.669 2.689 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001289962301 1061668834 /nfs/dbraw/zinc/66/88/34/1061668834.db2.gz WHIDDGSBSZJHNK-FHJLPGHOSA-N 1 0 460.648 2.782 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001289965831 1061671646 /nfs/dbraw/zinc/67/16/46/1061671646.db2.gz UFPABOSJFVLDQP-RXVVDRJESA-N 1 0 451.550 2.792 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001289965832 1061671729 /nfs/dbraw/zinc/67/17/29/1061671729.db2.gz UFPABOSJFVLDQP-WIYYLYMNSA-N 1 0 451.550 2.792 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001294173341 1061678421 /nfs/dbraw/zinc/67/84/21/1061678421.db2.gz ITJHOJXAIZZJRZ-HSZRJFAPSA-N 1 0 490.693 2.841 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001294173293 1061678431 /nfs/dbraw/zinc/67/84/31/1061678431.db2.gz HFMIDZLAXPFRQJ-RBBKRZOGSA-N 1 0 487.693 2.969 20 0 JFADRO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001286950810 1061683955 /nfs/dbraw/zinc/68/39/55/1061683955.db2.gz MVQYEPBJBHPALO-UHFFFAOYSA-N 1 0 468.005 2.884 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289973450 1061685406 /nfs/dbraw/zinc/68/54/06/1061685406.db2.gz IKEHOJOLIGQCHN-BHIFYINESA-N 1 0 483.661 2.889 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001294175215 1061686630 /nfs/dbraw/zinc/68/66/30/1061686630.db2.gz WZMCYILIKFJTFP-QFIPXVFZSA-N 1 0 460.667 2.989 20 0 JFADRO CC(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@H](C(C)C)C1 ZINC001286954021 1061702592 /nfs/dbraw/zinc/70/25/92/1061702592.db2.gz FVWPXDMXAVGKNB-DEOSSOPVSA-N 1 0 499.729 2.747 20 0 JFADRO CCCCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001294195300 1061702952 /nfs/dbraw/zinc/70/29/52/1061702952.db2.gz AUDKHHPLWRNASX-DENIHFKCSA-N 1 0 470.618 2.970 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001286954144 1061703201 /nfs/dbraw/zinc/70/32/01/1061703201.db2.gz CFGJPVKFUUZWLA-RTWAWAEBSA-N 1 0 489.665 2.941 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001289982470 1061704702 /nfs/dbraw/zinc/70/47/02/1061704702.db2.gz CWMDZGMVUXUXAE-QFIPXVFZSA-N 1 0 482.677 2.560 20 0 JFADRO C[C@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201223 1061707667 /nfs/dbraw/zinc/70/76/67/1061707667.db2.gz IBFBNHZVFKSTMY-VCOUNFBDSA-N 1 0 455.603 2.966 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(-c4cccc(C)n4)n3CCC[N@@H+](C)C(C)C)CC2)no1 ZINC001289984868 1061708005 /nfs/dbraw/zinc/70/80/05/1061708005.db2.gz BAGQRKBAISYSMG-UHFFFAOYSA-N 1 0 452.607 2.997 20 0 JFADRO CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001286955142 1061708181 /nfs/dbraw/zinc/70/81/81/1061708181.db2.gz MITAEYUXBFOAMO-UHFFFAOYSA-N 1 0 458.582 2.977 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@@]2(C)COCCO2)n1 ZINC001289985409 1061710206 /nfs/dbraw/zinc/71/02/06/1061710206.db2.gz KSACGKKGDQJYFA-QFIPXVFZSA-N 1 0 498.550 2.545 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001294208857 1061711747 /nfs/dbraw/zinc/71/17/47/1061711747.db2.gz KABQYVGLBLMXNM-RUZDIDTESA-N 1 0 489.686 2.751 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001289986618 1061712296 /nfs/dbraw/zinc/71/22/96/1061712296.db2.gz YUYMPNBFRWEIKU-DHIUTWEWSA-N 1 0 496.704 2.806 20 0 JFADRO CC(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286956030 1061712714 /nfs/dbraw/zinc/71/27/14/1061712714.db2.gz AMBMUXQTBVTQHJ-UHFFFAOYSA-N 1 0 459.683 2.532 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001289994533 1061720356 /nfs/dbraw/zinc/72/03/56/1061720356.db2.gz WDDDNYWWQNWARF-HXUWFJFHSA-N 1 0 499.660 2.987 20 0 JFADRO Cc1cccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001289997491 1061721132 /nfs/dbraw/zinc/72/11/32/1061721132.db2.gz FVVOTPNCNLRBLL-FGZHOGPDSA-N 1 0 454.619 2.913 20 0 JFADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccnc2)n1CC1([NH+](C)C)CCOCC1 ZINC001286957552 1061721433 /nfs/dbraw/zinc/72/14/33/1061721433.db2.gz UCTJJDVKIRMINM-UHFFFAOYSA-N 1 0 497.669 2.964 20 0 JFADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001286958001 1061723293 /nfs/dbraw/zinc/72/32/93/1061723293.db2.gz VTMKORCYEPCPJJ-NRFANRHFSA-N 1 0 487.674 2.618 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2cccnc2)n1CC[N@H+]1CC=CCC1 ZINC001286958133 1061723870 /nfs/dbraw/zinc/72/38/70/1061723870.db2.gz IDVZKICDPJTBOW-UHFFFAOYSA-N 1 0 451.600 2.806 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294215101 1061723973 /nfs/dbraw/zinc/72/39/73/1061723973.db2.gz QHGXLYMUYAAOAF-QZTJIDSGSA-N 1 0 459.570 2.503 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294215903 1061724866 /nfs/dbraw/zinc/72/48/66/1061724866.db2.gz WOLITVTZGDYVRZ-CQSZACIVSA-N 1 0 453.385 2.767 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001294216899 1061725532 /nfs/dbraw/zinc/72/55/32/1061725532.db2.gz KPQKQTBQDCOQTD-LJQANCHMSA-N 1 0 492.690 2.931 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294216999 1061726564 /nfs/dbraw/zinc/72/65/64/1061726564.db2.gz NLLGEFAEOWILLB-SFHVURJKSA-N 1 0 489.564 2.848 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294217398 1061728084 /nfs/dbraw/zinc/72/80/84/1061728084.db2.gz GTCLOMCUVSQLOJ-UYAOXDASSA-N 1 0 459.547 2.808 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294217417 1061728616 /nfs/dbraw/zinc/72/86/16/1061728616.db2.gz HABHAYBUPLPLJU-OFVILXPXSA-N 1 0 497.688 2.674 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1c1nncn1C ZINC001294218027 1061729785 /nfs/dbraw/zinc/72/97/85/1061729785.db2.gz XGUQLOIGIDNFLV-FQEVSTJZSA-N 1 0 486.646 2.551 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001294219204 1061730284 /nfs/dbraw/zinc/73/02/84/1061730284.db2.gz WMRGDIZTPGDPQE-HXUWFJFHSA-N 1 0 453.595 2.514 20 0 JFADRO COc1ccc([C@@H](CNC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)[NH+]2CCCC2)cc1 ZINC001290006410 1061731518 /nfs/dbraw/zinc/73/15/18/1061731518.db2.gz XCXCHBRHTHCAEI-HXUWFJFHSA-N 1 0 458.559 2.714 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294224362 1061735151 /nfs/dbraw/zinc/73/51/51/1061735151.db2.gz RPZWFPJLKFUFGF-GOSISDBHSA-N 1 0 476.651 2.958 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225588 1061737204 /nfs/dbraw/zinc/73/72/04/1061737204.db2.gz GEMZZINDWWTNCB-RBUKOAKNSA-N 1 0 450.628 2.865 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294227570 1061741229 /nfs/dbraw/zinc/74/12/29/1061741229.db2.gz FUBPIOUAFOYGFJ-UXHICEINSA-N 1 0 456.591 2.544 20 0 JFADRO Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001290017636 1061742012 /nfs/dbraw/zinc/74/20/12/1061742012.db2.gz SVHWBBLVLHTGAA-FPOVZHCZSA-N 1 0 460.648 2.504 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294228076 1061742297 /nfs/dbraw/zinc/74/22/97/1061742297.db2.gz AJJOZHGDHFFIKD-QHCPKHFHSA-N 1 0 460.554 2.759 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(CO)CC1 ZINC001294228703 1061743778 /nfs/dbraw/zinc/74/37/78/1061743778.db2.gz HPNLJHJGBKWDAE-BGYRXZFFSA-N 1 0 464.655 2.989 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001294228522 1061743883 /nfs/dbraw/zinc/74/38/83/1061743883.db2.gz PHJCEGPCVLTGJP-UHFFFAOYSA-N 1 0 474.675 2.738 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001294228660 1061743974 /nfs/dbraw/zinc/74/39/74/1061743974.db2.gz GKEJSIRGJRZQKN-ZCNNSNEGSA-N 1 0 489.665 2.592 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001294228553 1061744185 /nfs/dbraw/zinc/74/41/85/1061744185.db2.gz PSEWNKYLUMSHHN-QFIPXVFZSA-N 1 0 485.608 2.507 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294229785 1061746510 /nfs/dbraw/zinc/74/65/10/1061746510.db2.gz RRAMKMFDHPUYOP-DENIHFKCSA-N 1 0 471.650 2.585 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294230016 1061746574 /nfs/dbraw/zinc/74/65/74/1061746574.db2.gz SSBWHRHTEVYSEA-RTWAWAEBSA-N 1 0 458.582 2.976 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294230017 1061747060 /nfs/dbraw/zinc/74/70/60/1061747060.db2.gz SSBWHRHTEVYSEA-SFTDATJTSA-N 1 0 458.582 2.976 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2C[C@H](C)O[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294230396 1061748034 /nfs/dbraw/zinc/74/80/34/1061748034.db2.gz VLTDPWGXMNRONU-ZWOKBUDYSA-N 1 0 463.545 2.818 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CC2)c1 ZINC001290033183 1061749230 /nfs/dbraw/zinc/74/92/30/1061749230.db2.gz CRKXVHOMLHTEBN-IBGZPJMESA-N 1 0 480.535 2.829 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001294233841 1061749289 /nfs/dbraw/zinc/74/92/89/1061749289.db2.gz ZNUUEJLLRKUYKV-BBMMYNIISA-N 1 0 465.639 2.507 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290042034 1061758876 /nfs/dbraw/zinc/75/88/76/1061758876.db2.gz ZILAHRZZJXMLRM-SFTDATJTSA-N 1 0 497.688 2.852 20 0 JFADRO CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294282002 1061773221 /nfs/dbraw/zinc/77/32/21/1061773221.db2.gz WBBOISKVAPLIHL-FGZHOGPDSA-N 1 0 490.674 2.512 20 0 JFADRO COc1ccc(S(=O)(=O)N2CCN(C(=O)c3oc4ccccc4c3C[NH+](C)C)CC2)cc1 ZINC001290054649 1061774122 /nfs/dbraw/zinc/77/41/22/1061774122.db2.gz XCZSXULYGHQQJW-UHFFFAOYSA-N 1 0 457.552 2.650 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001290062749 1061785511 /nfs/dbraw/zinc/78/55/11/1061785511.db2.gz ODOPSYIPQYCGAK-OAQYLSRUSA-N 1 0 461.632 2.665 20 0 JFADRO CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC001294297728 1061786145 /nfs/dbraw/zinc/78/61/45/1061786145.db2.gz BMNRVMUNDLOCAF-UHFFFAOYSA-N 1 0 453.624 2.888 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001290066649 1061790928 /nfs/dbraw/zinc/79/09/28/1061790928.db2.gz OHRHPXSVJBHDCB-UGKGYDQZSA-N 1 0 483.535 2.780 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286977454 1061790994 /nfs/dbraw/zinc/79/09/94/1061790994.db2.gz MJAQMAKKOCKVPN-WWMYMODYSA-N 1 0 457.710 2.706 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001294306740 1061793993 /nfs/dbraw/zinc/79/39/93/1061793993.db2.gz COZGMCXFYLETMX-SFHLNBCPSA-N 1 0 494.662 2.714 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001290069484 1061794122 /nfs/dbraw/zinc/79/41/22/1061794122.db2.gz KFLOQHGHHXUEII-UHFFFAOYSA-N 1 0 456.591 2.928 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001294308579 1061796493 /nfs/dbraw/zinc/79/64/93/1061796493.db2.gz SCVLSGAPCJBXRP-CTNGQTDRSA-N 1 0 473.666 2.566 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294308549 1061796757 /nfs/dbraw/zinc/79/67/57/1061796757.db2.gz RFYHSCYZGCTGRO-JOCHJYFZSA-N 1 0 475.682 2.910 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001294308936 1061797844 /nfs/dbraw/zinc/79/78/44/1061797844.db2.gz WNQNWAWKOJIECY-OAQYLSRUSA-N 1 0 471.654 2.579 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286978439 1061798397 /nfs/dbraw/zinc/79/83/97/1061798397.db2.gz GZIWANXXJBSYHZ-OALUTQOASA-N 1 0 485.658 2.581 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294309466 1061799167 /nfs/dbraw/zinc/79/91/67/1061799167.db2.gz BFYABODTZVYQEC-PWRODBHTSA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294309612 1061799954 /nfs/dbraw/zinc/79/99/54/1061799954.db2.gz CBEQXKWVKIALHN-OALUTQOASA-N 1 0 450.653 2.808 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)c1 ZINC001290073507 1061801704 /nfs/dbraw/zinc/80/17/04/1061801704.db2.gz IJHXTXPEGMFPRQ-VWLOTQADSA-N 1 0 457.619 2.875 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001294312040 1061803269 /nfs/dbraw/zinc/80/32/69/1061803269.db2.gz SBSKTEPKLVZLNS-OTWHNJEPSA-N 1 0 485.599 2.957 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001294313358 1061805040 /nfs/dbraw/zinc/80/50/40/1061805040.db2.gz BYFILZYHEFWUPT-PWRODBHTSA-N 1 0 482.695 2.502 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286979359 1061805480 /nfs/dbraw/zinc/80/54/80/1061805480.db2.gz YNFHXJKOGIOGQB-OALUTQOASA-N 1 0 462.664 2.644 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286979363 1061805719 /nfs/dbraw/zinc/80/57/19/1061805719.db2.gz YNFHXJKOGIOGQB-RTBURBONSA-N 1 0 462.664 2.644 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294314516 1061805982 /nfs/dbraw/zinc/80/59/82/1061805982.db2.gz GXWJKAZIOCFKRF-QHCPKHFHSA-N 1 0 453.635 2.977 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294315148 1061806720 /nfs/dbraw/zinc/80/67/20/1061806720.db2.gz AEPXSIWMUMSZQO-XUVXKRRUSA-N 1 0 453.653 2.798 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001294315572 1061807358 /nfs/dbraw/zinc/80/73/58/1061807358.db2.gz BYAQUUQMZUNULW-NRFANRHFSA-N 1 0 476.666 2.890 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286979542 1061807648 /nfs/dbraw/zinc/80/76/48/1061807648.db2.gz VIWFFFPBHSWTIZ-DYXWJJEUSA-N 1 0 459.660 2.805 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001290078044 1061807834 /nfs/dbraw/zinc/80/78/34/1061807834.db2.gz QDURBRXDYWKQJW-OAQYLSRUSA-N 1 0 461.632 2.521 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001294316063 1061810081 /nfs/dbraw/zinc/81/00/81/1061810081.db2.gz NBXSBOSVMHSZDA-NJYVYQBISA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317213 1061813079 /nfs/dbraw/zinc/81/30/79/1061813079.db2.gz KDVKXPLLFMJKNP-RTBURBONSA-N 1 0 471.654 2.762 20 0 JFADRO Cc1ccccc1C(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC[NH+](C)C)CC1 ZINC001290087250 1061820725 /nfs/dbraw/zinc/82/07/25/1061820725.db2.gz QCRUQJWJYNTRMM-QHCPKHFHSA-N 1 0 484.645 2.805 20 0 JFADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001290087442 1061821179 /nfs/dbraw/zinc/82/11/79/1061821179.db2.gz SOOFZCJEJIUAGB-HXUWFJFHSA-N 1 0 461.614 2.921 20 0 JFADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001294322688 1061827203 /nfs/dbraw/zinc/82/72/03/1061827203.db2.gz UEAJOQPTLXMEDW-RDGATRHJSA-N 1 0 481.689 2.926 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286983179 1061833157 /nfs/dbraw/zinc/83/31/57/1061833157.db2.gz RJGQPFGFZSDGJA-CEXWTWQISA-N 1 0 488.658 2.531 20 0 JFADRO O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001290106697 1061834650 /nfs/dbraw/zinc/83/46/50/1061834650.db2.gz BZQNWQWOAAGLHA-UHFFFAOYSA-N 1 0 450.583 2.722 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCS(C)(=O)=O ZINC001290116652 1061844510 /nfs/dbraw/zinc/84/45/10/1061844510.db2.gz CNFVOBFDIZPXGK-UHFFFAOYSA-N 1 0 475.659 2.627 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001294328442 1061845281 /nfs/dbraw/zinc/84/52/81/1061845281.db2.gz DBFUOKZRJCUIJG-CBPXPLCBSA-N 1 0 487.693 2.871 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294329293 1061848311 /nfs/dbraw/zinc/84/83/11/1061848311.db2.gz LGYTVBHJZCRAPT-BHDDXSALSA-N 1 0 490.693 2.539 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290120223 1061850050 /nfs/dbraw/zinc/85/00/50/1061850050.db2.gz HYSRFPGSTYKBNJ-UYAOXDASSA-N 1 0 454.619 2.845 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001290123490 1061853312 /nfs/dbraw/zinc/85/33/12/1061853312.db2.gz JUYCGOUTYPLPHK-UHFFFAOYSA-N 1 0 474.675 2.847 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001286985364 1061853586 /nfs/dbraw/zinc/85/35/86/1061853586.db2.gz ZCRQAXJQWXGCIH-UHFFFAOYSA-N 1 0 478.439 2.730 20 0 JFADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294331354 1061854882 /nfs/dbraw/zinc/85/48/82/1061854882.db2.gz FGZOWAMGEUBTAG-UNMCSNQZSA-N 1 0 474.694 2.987 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001290125022 1061855645 /nfs/dbraw/zinc/85/56/45/1061855645.db2.gz KFMHISWBJAWRHT-VQTJNVASSA-N 1 0 460.648 2.503 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001290127689 1061858232 /nfs/dbraw/zinc/85/82/32/1061858232.db2.gz GLNHDKXLJVSJFU-UHFFFAOYSA-N 1 0 495.672 2.690 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290128262 1061859398 /nfs/dbraw/zinc/85/93/98/1061859398.db2.gz CDQKXSURGUKUJC-JOCHJYFZSA-N 1 0 467.662 2.630 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001290128298 1061860144 /nfs/dbraw/zinc/86/01/44/1061860144.db2.gz CZEWBZOYEKHAOT-DEOSSOPVSA-N 1 0 481.689 2.974 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001290128658 1061860228 /nfs/dbraw/zinc/86/02/28/1061860228.db2.gz FUTTUPMFFICFRA-UHFFFAOYSA-N 1 0 467.662 2.586 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC001294333048 1061863171 /nfs/dbraw/zinc/86/31/71/1061863171.db2.gz WPNADXGMGYNKIL-UHFFFAOYSA-N 1 0 456.631 2.850 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(C2CCC2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001286987310 1061867880 /nfs/dbraw/zinc/86/78/80/1061867880.db2.gz CUPVPDPJWFBQHJ-UHFFFAOYSA-N 1 0 487.693 2.526 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@H](C)N1CCOCC1 ZINC001290133770 1061868091 /nfs/dbraw/zinc/86/80/91/1061868091.db2.gz VBBBTTPLHWRTQW-QFIPXVFZSA-N 1 0 456.635 2.521 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCNC(=O)C(C)C ZINC001290134027 1061870171 /nfs/dbraw/zinc/87/01/71/1061870171.db2.gz ZVYVVFPIKLBCLU-UHFFFAOYSA-N 1 0 468.646 2.964 20 0 JFADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001286987809 1061872962 /nfs/dbraw/zinc/87/29/62/1061872962.db2.gz ZPRIZBHILBZMNL-HXUWFJFHSA-N 1 0 494.644 2.566 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC(N)=O)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290144599 1061879906 /nfs/dbraw/zinc/87/99/06/1061879906.db2.gz BYNVVKPHMRCSBZ-VAMGGRTRSA-N 1 0 456.635 2.765 20 0 JFADRO Cc1ccccc1[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001290146703 1061889403 /nfs/dbraw/zinc/88/94/03/1061889403.db2.gz YHEHWBHMMQPNEW-IFMALSPDSA-N 1 0 475.659 2.797 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CC[NH+]1CCSCC1 ZINC001290157612 1061898368 /nfs/dbraw/zinc/89/83/68/1061898368.db2.gz FXXKPSGVGLSKAB-LJQANCHMSA-N 1 0 496.603 2.731 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290165104 1061906678 /nfs/dbraw/zinc/90/66/78/1061906678.db2.gz MRJFJPNKFOTMAQ-NRFANRHFSA-N 1 0 482.673 2.887 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001290165269 1061907382 /nfs/dbraw/zinc/90/73/82/1061907382.db2.gz OBDSAUKGMHNLQE-NRFANRHFSA-N 1 0 468.646 2.768 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294349009 1061912614 /nfs/dbraw/zinc/91/26/14/1061912614.db2.gz MTTGHSUOIHWVMQ-RTWAWAEBSA-N 1 0 487.693 2.654 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001294349193 1061913845 /nfs/dbraw/zinc/91/38/45/1061913845.db2.gz NWDSHIQPTWTLLM-JOCHJYFZSA-N 1 0 451.619 2.659 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287001175 1061916894 /nfs/dbraw/zinc/91/68/94/1061916894.db2.gz VUVBCKNTNPNJDL-UHFFFAOYSA-N 1 0 478.041 2.914 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001290173272 1061918475 /nfs/dbraw/zinc/91/84/75/1061918475.db2.gz DRBPIKYRYBMXSL-UHFFFAOYSA-N 1 0 459.660 2.780 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001290177075 1061925300 /nfs/dbraw/zinc/92/53/00/1061925300.db2.gz RNUVPQBMDVKHCA-UHFFFAOYSA-N 1 0 493.622 2.888 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001287005886 1061925847 /nfs/dbraw/zinc/92/58/47/1061925847.db2.gz WQEQOVKMHNJZPR-LJQANCHMSA-N 1 0 471.654 2.764 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001294359381 1061931087 /nfs/dbraw/zinc/93/10/87/1061931087.db2.gz PMIZXFJRPHVHMP-OALUTQOASA-N 1 0 487.674 2.726 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001294359976 1061932398 /nfs/dbraw/zinc/93/23/98/1061932398.db2.gz VAAMZGDEJWHTTC-UHFFFAOYSA-N 1 0 462.683 2.846 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001287008687 1061935187 /nfs/dbraw/zinc/93/51/87/1061935187.db2.gz CZQVZLLPNKMAIY-UHFFFAOYSA-N 1 0 469.609 2.737 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001290197426 1061938189 /nfs/dbraw/zinc/93/81/89/1061938189.db2.gz RYBPWWSIZFALKM-UHFFFAOYSA-N 1 0 487.530 2.573 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCCO[C@H]1CCOC1 ZINC001287009748 1061939260 /nfs/dbraw/zinc/93/92/60/1061939260.db2.gz WFUGULMNMCYMMG-FCHUYYIVSA-N 1 0 457.619 2.627 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287010204 1061940870 /nfs/dbraw/zinc/94/08/70/1061940870.db2.gz HKQSUGMWSMNEMG-KRWDZBQOSA-N 1 0 464.561 2.821 20 0 JFADRO Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCOCC1 ZINC001290203856 1061946967 /nfs/dbraw/zinc/94/69/67/1061946967.db2.gz UOVHIDJGMRNLJR-HXUWFJFHSA-N 1 0 470.618 2.554 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294374331 1061947235 /nfs/dbraw/zinc/94/72/35/1061947235.db2.gz OGPUBWUAWZFUGM-VUMVONDWSA-N 1 0 461.582 2.993 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccncc2)cc1S(N)(=O)=O ZINC001290220780 1061969195 /nfs/dbraw/zinc/96/91/95/1061969195.db2.gz FDHCHVLLKHOOKY-FCHUYYIVSA-N 1 0 450.564 2.892 20 0 JFADRO CCCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294402450 1061969979 /nfs/dbraw/zinc/96/99/79/1061969979.db2.gz TZXOVOAECKHNPU-NRFANRHFSA-N 1 0 470.618 2.513 20 0 JFADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC001290228567 1061975450 /nfs/dbraw/zinc/97/54/50/1061975450.db2.gz CIXPYDWCCDKJMT-SFTDATJTSA-N 1 0 499.660 2.667 20 0 JFADRO CC1=CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001290230330 1061978753 /nfs/dbraw/zinc/97/87/53/1061978753.db2.gz YKPYCNFFMJFFLK-QFIPXVFZSA-N 1 0 452.603 2.864 20 0 JFADRO C[NH+](C)CCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001294414894 1061980630 /nfs/dbraw/zinc/98/06/30/1061980630.db2.gz QSASKYKEDGYUDF-SFHVURJKSA-N 1 0 456.033 2.973 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCOCCS(C)(=O)=O ZINC001287030669 1061981477 /nfs/dbraw/zinc/98/14/77/1061981477.db2.gz QBMWWSSYPJXWFX-UHFFFAOYSA-N 1 0 495.665 2.779 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)OC(C)(C)C ZINC001287030911 1061982164 /nfs/dbraw/zinc/98/21/64/1061982164.db2.gz UHUNYQNQUYRJGG-IBGZPJMESA-N 1 0 464.655 2.940 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001287032039 1061985878 /nfs/dbraw/zinc/98/58/78/1061985878.db2.gz XUJHBJDFYPAEMW-YADHBBJMSA-N 1 0 468.646 2.573 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287032466 1061987487 /nfs/dbraw/zinc/98/74/87/1061987487.db2.gz NFBGNCJILMVXMU-HXUWFJFHSA-N 1 0 474.675 2.737 20 0 JFADRO CC1=CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001290249849 1061988185 /nfs/dbraw/zinc/98/81/85/1061988185.db2.gz ATCWZQLJIPUFPP-JOCHJYFZSA-N 1 0 452.603 2.578 20 0 JFADRO CC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001290250108 1061988665 /nfs/dbraw/zinc/98/86/65/1061988665.db2.gz DZITWEXRODCHSC-MSOLQXFVSA-N 1 0 464.661 2.943 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCCN(c3nccs3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287032849 1061989186 /nfs/dbraw/zinc/98/91/86/1061989186.db2.gz WJONLJPAXYOVLM-LJQANCHMSA-N 1 0 461.680 2.887 20 0 JFADRO C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1cccc(S(N)(=O)=O)c1 ZINC001290254569 1061990690 /nfs/dbraw/zinc/99/06/90/1061990690.db2.gz AKOIWMSFWZTIFB-PUZWTLIVSA-N 1 0 464.591 2.822 20 0 JFADRO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001290254747 1061991160 /nfs/dbraw/zinc/99/11/60/1061991160.db2.gz VCDGLMIBEULYRO-GOSISDBHSA-N 1 0 458.632 2.835 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001287033891 1061992772 /nfs/dbraw/zinc/99/27/72/1061992772.db2.gz AWLKQFPVPUINBM-UHFFFAOYSA-N 1 0 465.646 2.889 20 0 JFADRO CC1=CCN(c2nnc(CCOc3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001290265584 1061995980 /nfs/dbraw/zinc/99/59/80/1061995980.db2.gz YMSIVBJCPYJFGI-HSZRJFAPSA-N 1 0 466.630 2.999 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)C1 ZINC001294453912 1061999130 /nfs/dbraw/zinc/99/91/30/1061999130.db2.gz JQUZZFKDEAOUPE-INIZCTEOSA-N 1 0 462.586 2.978 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)C1 ZINC001294453913 1061999238 /nfs/dbraw/zinc/99/92/38/1061999238.db2.gz JQUZZFKDEAOUPE-MRXNPFEDSA-N 1 0 462.586 2.978 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001294453970 1061999342 /nfs/dbraw/zinc/99/93/42/1061999342.db2.gz KPXLEKUGHSPGDO-NRFANRHFSA-N 1 0 481.645 2.938 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC[C@H]1COCCO1 ZINC001287036215 1062002172 /nfs/dbraw/zinc/00/21/72/1062002172.db2.gz UJANAUOMKQGAKW-SFHVURJKSA-N 1 0 477.572 2.763 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N2CCOCC2)C1 ZINC001294455427 1062002339 /nfs/dbraw/zinc/00/23/39/1062002339.db2.gz DMTMHIGIIQURCM-QZTJIDSGSA-N 1 0 494.482 2.925 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287036756 1062002978 /nfs/dbraw/zinc/00/29/78/1062002978.db2.gz IUGMVUGUVGIIEL-INIZCTEOSA-N 1 0 469.556 2.949 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457561 1062004961 /nfs/dbraw/zinc/00/49/61/1062004961.db2.gz NZMPLLDDJCHAHX-ZWKOTPCHSA-N 1 0 456.570 2.902 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457558 1062005077 /nfs/dbraw/zinc/00/50/77/1062005077.db2.gz NZMPLLDDJCHAHX-MSOLQXFVSA-N 1 0 456.570 2.902 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCSCC2)CC1 ZINC001287039289 1062005884 /nfs/dbraw/zinc/00/58/84/1062005884.db2.gz CGMNWZOPJPKVFE-UHFFFAOYSA-N 1 0 486.690 2.532 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 ZINC001294459673 1062006921 /nfs/dbraw/zinc/00/69/21/1062006921.db2.gz VQTCFLYPKUITTJ-YDIMBITNSA-N 1 0 461.582 2.877 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294460032 1062007647 /nfs/dbraw/zinc/00/76/47/1062007647.db2.gz AKWGKRHWBJKYKU-RBUKOAKNSA-N 1 0 491.658 2.565 20 0 JFADRO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC001290279143 1062007993 /nfs/dbraw/zinc/00/79/93/1062007993.db2.gz LVLKTXVHBGOTSI-OAQYLSRUSA-N 1 0 464.618 2.722 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 ZINC001294460739 1062008815 /nfs/dbraw/zinc/00/88/15/1062008815.db2.gz JPKUJKCZDSNBDT-QUCCMNQESA-N 1 0 459.591 2.546 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CCc3ccccc3)n2CCCn2cnnn2)CC1 ZINC001287041798 1062010526 /nfs/dbraw/zinc/01/05/26/1062010526.db2.gz RNSWLVMEXBTYBS-UHFFFAOYSA-N 1 0 451.623 2.698 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc(Cn4nc(C)cc4C)n3CC[NH+](C(C)C)C(C)C)CCO2)c1 ZINC001290280743 1062011014 /nfs/dbraw/zinc/01/10/14/1062011014.db2.gz QDOIBCLSWQTABS-QHCPKHFHSA-N 1 0 483.665 2.669 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001287042110 1062011198 /nfs/dbraw/zinc/01/11/98/1062011198.db2.gz ZOTCJCGUBGYPKN-HXUWFJFHSA-N 1 0 453.635 2.737 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001287042255 1062011733 /nfs/dbraw/zinc/01/17/33/1062011733.db2.gz GINIIVVMKTXUTJ-UHFFFAOYSA-N 1 0 463.586 2.563 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001287043361 1062014760 /nfs/dbraw/zinc/01/47/60/1062014760.db2.gz ZZPVEJBYOYGYBP-UHFFFAOYSA-N 1 0 489.686 2.730 20 0 JFADRO 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CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)C1 ZINC001294468982 1062020101 /nfs/dbraw/zinc/02/01/01/1062020101.db2.gz SHCHATGCRKOMKC-UNMCSNQZSA-N 1 0 454.619 2.748 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001294469109 1062020592 /nfs/dbraw/zinc/02/05/92/1062020592.db2.gz UUVUGWDYDJHGDM-CEXWTWQISA-N 1 0 477.654 2.653 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC001294469111 1062020838 /nfs/dbraw/zinc/02/08/38/1062020838.db2.gz UUVUGWDYDJHGDM-GBESFXJTSA-N 1 0 477.654 2.653 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294469288 1062021525 /nfs/dbraw/zinc/02/15/25/1062021525.db2.gz XGEZTHYKQKMCGJ-FGTMMUONSA-N 1 0 496.703 2.561 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 ZINC001294469410 1062021950 /nfs/dbraw/zinc/02/19/50/1062021950.db2.gz YSSAAYYLSWZIIF-RLSLOFABSA-N 1 0 494.681 2.916 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(=O)NC)C1 ZINC001294469385 1062022064 /nfs/dbraw/zinc/02/20/64/1062022064.db2.gz YJMHESAXBDNHKB-KRWDZBQOSA-N 1 0 480.617 2.534 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(COc3ccccc3F)n2CCCn2ccnn2)CC1 ZINC001287045073 1062022015 /nfs/dbraw/zinc/02/20/15/1062022015.db2.gz IRNDVKNXTOJHLG-UHFFFAOYSA-N 1 0 456.570 2.989 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)C1 ZINC001294469983 1062023779 /nfs/dbraw/zinc/02/37/79/1062023779.db2.gz JHDDHIMUDZVXSJ-SFHVURJKSA-N 1 0 458.582 2.765 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H]2COCCO2)C1 ZINC001294470437 1062024378 /nfs/dbraw/zinc/02/43/78/1062024378.db2.gz LSSVHSNZDBSMFT-MXEMCNAFSA-N 1 0 492.665 2.632 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC(F)(F)F)CC1 ZINC001287045647 1062024893 /nfs/dbraw/zinc/02/48/93/1062024893.db2.gz LLSIJYZJOTUBDU-OAHLLOKOSA-N 1 0 483.626 2.786 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 ZINC001294470826 1062025155 /nfs/dbraw/zinc/02/51/55/1062025155.db2.gz NJZVAFMJRJMGMK-CQSZACIVSA-N 1 0 463.371 2.556 20 0 JFADRO Cc1cnc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC001290297696 1062026952 /nfs/dbraw/zinc/02/69/52/1062026952.db2.gz XGRMPGZLMUFLCF-BPQIPLTHSA-N 1 0 481.692 2.522 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294474692 1062027322 /nfs/dbraw/zinc/02/73/22/1062027322.db2.gz QEYUSYJNJLCHNI-HXUWFJFHSA-N 1 0 465.689 2.923 20 0 JFADRO Cc1cnc(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[NH+]3CCCCC3)CC2)s1 ZINC001290301088 1062029540 /nfs/dbraw/zinc/02/95/40/1062029540.db2.gz JWBAOWXPMYDPIJ-QGZVFWFLSA-N 1 0 481.692 2.523 20 0 JFADRO Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001290303619 1062030820 /nfs/dbraw/zinc/03/08/20/1062030820.db2.gz DZIGLSQWLWDHLR-MOPGFXCFSA-N 1 0 486.642 2.857 20 0 JFADRO CCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001294489287 1062033225 /nfs/dbraw/zinc/03/32/25/1062033225.db2.gz PQPKLKFAYBVYAE-LJQANCHMSA-N 1 0 477.679 2.831 20 0 JFADRO CC(C)(C)OC(=O)Nc1ccc(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001290310694 1062036044 /nfs/dbraw/zinc/03/60/44/1062036044.db2.gz MBEJGGHSTSWBTO-UHFFFAOYSA-N 1 0 453.587 2.905 20 0 JFADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 ZINC001294503882 1062039252 /nfs/dbraw/zinc/03/92/52/1062039252.db2.gz WPLTUZDRGMDNIJ-KRWDZBQOSA-N 1 0 452.393 2.808 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001294505504 1062041522 /nfs/dbraw/zinc/04/15/22/1062041522.db2.gz KYWNODBAWILWHN-NRFANRHFSA-N 1 0 458.582 2.963 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001294506444 1062044352 /nfs/dbraw/zinc/04/43/52/1062044352.db2.gz TUDJGLYOHSMGRE-INIZCTEOSA-N 1 0 469.055 2.836 20 0 JFADRO 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CCC[N@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001294528828 1062065556 /nfs/dbraw/zinc/06/55/56/1062065556.db2.gz GNXNYIXLWVJOGV-HXUWFJFHSA-N 1 0 459.595 2.557 20 0 JFADRO Cc1csc(N2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC001290354374 1062065893 /nfs/dbraw/zinc/06/58/93/1062065893.db2.gz RMBGBAYDYIMDOX-IBGZPJMESA-N 1 0 488.706 2.610 20 0 JFADRO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)n1 ZINC001290355249 1062067305 /nfs/dbraw/zinc/06/73/05/1062067305.db2.gz YYQRYOIQODIYIO-HKUYNNGSSA-N 1 0 474.679 2.628 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290385125 1062088331 /nfs/dbraw/zinc/08/83/31/1062088331.db2.gz HGSIDDVKHMTRBG-FUHIMQAGSA-N 1 0 480.704 2.625 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC001290385128 1062088386 /nfs/dbraw/zinc/08/83/86/1062088386.db2.gz HGSIDDVKHMTRBG-MBOZVWFJSA-N 1 0 480.704 2.625 20 0 JFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC001290400527 1062101925 /nfs/dbraw/zinc/10/19/25/1062101925.db2.gz JISAGCXHLHEIBL-RUZDIDTESA-N 1 0 454.590 2.918 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)C1 ZINC001287062667 1062109547 /nfs/dbraw/zinc/10/95/47/1062109547.db2.gz DDPMXAPNXANRES-GOSISDBHSA-N 1 0 456.595 2.572 20 0 JFADRO CCCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294602345 1062112525 /nfs/dbraw/zinc/11/25/25/1062112525.db2.gz MLDQRPTUXVKXAW-SFHVURJKSA-N 1 0 491.434 2.869 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cs1 ZINC001290410188 1062125147 /nfs/dbraw/zinc/12/51/47/1062125147.db2.gz ADSZFLLUENFHPF-INIZCTEOSA-N 1 0 459.664 2.846 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290410480 1062127211 /nfs/dbraw/zinc/12/72/11/1062127211.db2.gz DUSBQKWAIJFJEC-HOCLYGCPSA-N 1 0 485.580 2.623 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC001290411070 1062131080 /nfs/dbraw/zinc/13/10/80/1062131080.db2.gz VUEFZJQLYALQQV-ZIFCJYIRSA-N 1 0 459.664 2.704 20 0 JFADRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1cc(N2CCNC2=O)ccc1Cl ZINC001290416169 1062136390 /nfs/dbraw/zinc/13/63/90/1062136390.db2.gz OIEVPVUVDWEMOA-UHFFFAOYSA-N 1 0 455.990 2.807 20 0 JFADRO CC(C)CN1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1=O ZINC001290415642 1062136451 /nfs/dbraw/zinc/13/64/51/1062136451.db2.gz ITTRXARUSCMXPK-SFHVURJKSA-N 1 0 454.537 2.838 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001290416385 1062137649 /nfs/dbraw/zinc/13/76/49/1062137649.db2.gz SRMZYXBNYJJWQT-YTFSRNRJSA-N 1 0 456.631 2.814 20 0 JFADRO CCOC(=O)c1cnn(-c2ccc(NC(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)cc2)c1C(F)(F)F ZINC001290416451 1062137780 /nfs/dbraw/zinc/13/77/80/1062137780.db2.gz TVSMQLLIMAGDIO-IAGOWNOFSA-N 1 0 454.449 2.852 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001294631565 1062137978 /nfs/dbraw/zinc/13/79/78/1062137978.db2.gz BGCPXGAICWIVOV-UHFFFAOYSA-N 1 0 487.693 2.767 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001294632045 1062139169 /nfs/dbraw/zinc/13/91/69/1062139169.db2.gz FZGDOESYPIEOLF-UHFFFAOYSA-N 1 0 481.645 2.501 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](n3nc(C)cc3C)C2)C1 ZINC001294632192 1062139181 /nfs/dbraw/zinc/13/91/81/1062139181.db2.gz GEIHUVOTIJBTRV-LEWJYISDSA-N 1 0 456.639 2.803 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCNC(=O)C(C)(C)C)cs1 ZINC001290417027 1062140774 /nfs/dbraw/zinc/14/07/74/1062140774.db2.gz FYSKLSURAIPCAD-IBGZPJMESA-N 1 0 459.664 2.861 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294633499 1062143518 /nfs/dbraw/zinc/14/35/18/1062143518.db2.gz OZHDLKWNXMFAPQ-DFBJGRDBSA-N 1 0 467.618 2.581 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](N4CCCC4=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417408 1062144572 /nfs/dbraw/zinc/14/45/72/1062144572.db2.gz NKYKSOKNPQYJJY-VQTJNVASSA-N 1 0 459.664 2.811 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3ccnn3C)C2)CC1 ZINC001294634920 1062145164 /nfs/dbraw/zinc/14/51/64/1062145164.db2.gz VQNHUNGGNGSEFI-FQEVSTJZSA-N 1 0 456.639 2.656 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC001290417462 1062145295 /nfs/dbraw/zinc/14/52/95/1062145295.db2.gz KPIAXOTWBICNJN-KRWDZBQOSA-N 1 0 459.664 2.990 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3cc(C)cn3)C2)CC1 ZINC001294635347 1062146606 /nfs/dbraw/zinc/14/66/06/1062146606.db2.gz YBJJLJGJJXJUDX-NRFANRHFSA-N 1 0 456.639 2.885 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)CC)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294637449 1062150300 /nfs/dbraw/zinc/15/03/00/1062150300.db2.gz IEHZWEKCRHIEEI-OALUTQOASA-N 1 0 454.685 2.774 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H](C)CC)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001294637483 1062150380 /nfs/dbraw/zinc/15/03/80/1062150380.db2.gz IZLIYANZLMPLOP-VQTJNVASSA-N 1 0 459.683 2.703 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001294638968 1062153098 /nfs/dbraw/zinc/15/30/98/1062153098.db2.gz RNXLRTOOPCIGNB-LGVFNWMJSA-N 1 0 473.710 2.902 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2F)CC1 ZINC001294639344 1062154079 /nfs/dbraw/zinc/15/40/79/1062154079.db2.gz SQZQRRFEJVQPEZ-KRWDZBQOSA-N 1 0 466.627 2.786 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294640778 1062157455 /nfs/dbraw/zinc/15/74/55/1062157455.db2.gz FMWCOZYPPHETCG-INIZCTEOSA-N 1 0 461.408 2.766 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294640847 1062158328 /nfs/dbraw/zinc/15/83/28/1062158328.db2.gz GSKOHVJDNLLLDK-NVXWUHKLSA-N 1 0 499.479 2.781 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccccc2)C1 ZINC001294641015 1062159756 /nfs/dbraw/zinc/15/97/56/1062159756.db2.gz IGASPIJLZFZXOT-ZJOUEHCJSA-N 1 0 460.648 2.962 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2c2ccccc2)C1 ZINC001294641014 1062159898 /nfs/dbraw/zinc/15/98/98/1062159898.db2.gz IGASPIJLZFZXOT-SVFBPWRDSA-N 1 0 460.648 2.962 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001294641006 1062159910 /nfs/dbraw/zinc/15/99/10/1062159910.db2.gz IEUMAELWFRLUMU-UHFFFAOYSA-N 1 0 499.685 2.909 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)cs1 ZINC001290422047 1062160225 /nfs/dbraw/zinc/16/02/25/1062160225.db2.gz UXIJUWZPGJNYFF-QGZVFWFLSA-N 1 0 480.704 2.912 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2CCC(C)(C)O)cs1 ZINC001290422298 1062161665 /nfs/dbraw/zinc/16/16/65/1062161665.db2.gz YHGDWWXLLXCZJS-UHFFFAOYSA-N 1 0 462.664 2.876 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294641311 1062161923 /nfs/dbraw/zinc/16/19/23/1062161923.db2.gz LWXIBTRLWBARBC-CEXWTWQISA-N 1 0 458.582 2.991 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1 ZINC001294645285 1062171738 /nfs/dbraw/zinc/17/17/38/1062171738.db2.gz ATANGAPXMLEJAC-PZJWPPBQSA-N 1 0 471.650 2.615 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294645711 1062174072 /nfs/dbraw/zinc/17/40/72/1062174072.db2.gz FLKXAHOLRMBPEZ-MJGOQNOKSA-N 1 0 479.000 2.811 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294646725 1062177571 /nfs/dbraw/zinc/17/75/71/1062177571.db2.gz NWUWDLMEUHRVOD-AZUAARDMSA-N 1 0 470.618 2.751 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294646728 1062178601 /nfs/dbraw/zinc/17/86/01/1062178601.db2.gz NWUWDLMEUHRVOD-QUCCMNQESA-N 1 0 470.618 2.751 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294646941 1062179652 /nfs/dbraw/zinc/17/96/52/1062179652.db2.gz PDJFUJVYKINOHO-KRWDZBQOSA-N 1 0 499.056 2.941 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)[C@@H]2CC)CC1 ZINC001294647041 1062180860 /nfs/dbraw/zinc/18/08/60/1062180860.db2.gz ACWNJGWQZCXHEI-SFHVURJKSA-N 1 0 478.439 2.873 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294647284 1062181634 /nfs/dbraw/zinc/18/16/34/1062181634.db2.gz SOAQKKAJOZIZCR-AZUAARDMSA-N 1 0 470.618 2.751 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3C)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001294647345 1062181866 /nfs/dbraw/zinc/18/18/66/1062181866.db2.gz DWMMEMVDNQDVFK-UHFFFAOYSA-N 1 0 454.619 2.846 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)cs1 ZINC001290428921 1062182659 /nfs/dbraw/zinc/18/26/59/1062182659.db2.gz UWEISOHMFFHZQN-DOTOQJQBSA-N 1 0 459.645 2.700 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001294647466 1062182792 /nfs/dbraw/zinc/18/27/92/1062182792.db2.gz DAFICFNLUREZNX-SFHVURJKSA-N 1 0 492.571 2.573 20 0 JFADRO Cc1nc(Cc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290429249 1062183419 /nfs/dbraw/zinc/18/34/19/1062183419.db2.gz ZPCBYPMQXSASOS-SFHVURJKSA-N 1 0 459.664 2.813 20 0 JFADRO Cc1nc(Cc2nnc(N3CCCN(C(=O)c4ccccc4)CC3)n2CCOCC[NH+](C)C)cs1 ZINC001290428931 1062183483 /nfs/dbraw/zinc/18/34/83/1062183483.db2.gz VASJDDLMHSEEGZ-UHFFFAOYSA-N 1 0 497.669 2.565 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCN(C(C)=O)CC2)C1 ZINC001294648243 1062185846 /nfs/dbraw/zinc/18/58/46/1062185846.db2.gz ILFRYPGNVGRQKT-KRWDZBQOSA-N 1 0 478.439 2.826 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N2CCN(C(=O)OCC)CC2)C1 ZINC001294648259 1062187104 /nfs/dbraw/zinc/18/71/04/1062187104.db2.gz IRROWRWCBNQNEW-IBGZPJMESA-N 1 0 456.591 2.964 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001290430980 1062188748 /nfs/dbraw/zinc/18/87/48/1062188748.db2.gz GOEYLJQUFXOZTJ-FOIQADDNSA-N 1 0 471.606 2.743 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294649155 1062190257 /nfs/dbraw/zinc/19/02/57/1062190257.db2.gz YIFLNJGEJWUGHY-FQEVSTJZSA-N 1 0 474.675 2.927 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001294648913 1062190340 /nfs/dbraw/zinc/19/03/40/1062190340.db2.gz XMCVWBITFZUEJX-VQTJNVASSA-N 1 0 492.665 2.924 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)OC(C)(C)C)cs1 ZINC001290431606 1062192039 /nfs/dbraw/zinc/19/20/39/1062192039.db2.gz HUECDCFKOAVTRW-UHFFFAOYSA-N 1 0 463.652 2.937 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCC[NH+]2CCCC2)cs1 ZINC001290432589 1062195049 /nfs/dbraw/zinc/19/50/49/1062195049.db2.gz NXXIBHQKJYICHY-UHFFFAOYSA-N 1 0 474.679 2.750 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCNC(=O)C2)C1 ZINC001294650873 1062195830 /nfs/dbraw/zinc/19/58/30/1062195830.db2.gz WHVHTXZWHJJOFD-MRXNPFEDSA-N 1 0 461.408 2.684 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001294651513 1062196873 /nfs/dbraw/zinc/19/68/73/1062196873.db2.gz ZMISOVCDIBYOGT-QGZVFWFLSA-N 1 0 461.010 2.801 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C)C(=O)C3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)cs1 ZINC001290433263 1062198282 /nfs/dbraw/zinc/19/82/82/1062198282.db2.gz VUYBQAFGQLHLDC-GOSISDBHSA-N 1 0 467.643 2.823 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655719 1062200169 /nfs/dbraw/zinc/20/01/69/1062200169.db2.gz BZCSKJPMMLXXJV-RTWAWAEBSA-N 1 0 475.659 2.947 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(c4cnn(C)c4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001290433642 1062200361 /nfs/dbraw/zinc/20/03/61/1062200361.db2.gz WHGGAJRBYZNUPI-FQEVSTJZSA-N 1 0 471.679 2.670 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001294656882 1062201845 /nfs/dbraw/zinc/20/18/45/1062201845.db2.gz IUTIAPPYPLOFPW-FQEVSTJZSA-N 1 0 453.653 2.655 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287071393 1062201873 /nfs/dbraw/zinc/20/18/73/1062201873.db2.gz MOTZGAYZGNOKCP-UXHICEINSA-N 1 0 485.633 2.680 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001294658066 1062203130 /nfs/dbraw/zinc/20/31/30/1062203130.db2.gz PAXSQUVYZDTWLR-WOJBJXKFSA-N 1 0 453.653 2.655 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCO[C@H](C)C2)C1 ZINC001294657999 1062203229 /nfs/dbraw/zinc/20/32/29/1062203229.db2.gz NGPIAPLVTSEPAH-QHAWAJNXSA-N 1 0 492.665 2.934 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001287071615 1062203582 /nfs/dbraw/zinc/20/35/82/1062203582.db2.gz STMOFZKKGYYWLA-OAQYLSRUSA-N 1 0 485.633 2.946 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294658492 1062206019 /nfs/dbraw/zinc/20/60/19/1062206019.db2.gz QXBSATXLRRINLH-VQTJNVASSA-N 1 0 467.618 2.653 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001294659050 1062206694 /nfs/dbraw/zinc/20/66/94/1062206694.db2.gz UKHNZRACJNKLQY-DLBZAZTESA-N 1 0 452.554 2.745 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC001294660853 1062210370 /nfs/dbraw/zinc/21/03/70/1062210370.db2.gz FVWHTMMXSZRPRR-NRFANRHFSA-N 1 0 470.666 2.996 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC001290440789 1062210496 /nfs/dbraw/zinc/21/04/96/1062210496.db2.gz XGKNKOMFHZSCQJ-APWZRJJASA-N 1 0 450.678 2.932 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001294660917 1062210464 /nfs/dbraw/zinc/21/04/64/1062210464.db2.gz HDANQIJHYFJJSO-UHFFFAOYSA-N 1 0 457.598 2.591 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001294661105 1062211549 /nfs/dbraw/zinc/21/15/49/1062211549.db2.gz ITECOJSIUZCDKR-LEWJYISDSA-N 1 0 492.665 2.506 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001294661945 1062213606 /nfs/dbraw/zinc/21/36/06/1062213606.db2.gz XJBHKHOYTVXNEK-UHFFFAOYSA-N 1 0 458.626 2.898 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001294663816 1062216735 /nfs/dbraw/zinc/21/67/35/1062216735.db2.gz SYTFPNJXGRBHRA-OALUTQOASA-N 1 0 462.664 2.644 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(OC)cc3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001294667145 1062221259 /nfs/dbraw/zinc/22/12/59/1062221259.db2.gz SFQCJZJJTCDGIS-NRFANRHFSA-N 1 0 484.645 2.950 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294667384 1062221733 /nfs/dbraw/zinc/22/17/33/1062221733.db2.gz ZEHRZBBQFRIVRQ-WOJBJXKFSA-N 1 0 470.618 2.655 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCC(N(C)S(=O)(=O)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294668739 1062223177 /nfs/dbraw/zinc/22/31/77/1062223177.db2.gz CABGCELYCYRQSW-SFHVURJKSA-N 1 0 454.685 2.558 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Nc3ccn(C)n3)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC001294669021 1062225081 /nfs/dbraw/zinc/22/50/81/1062225081.db2.gz FGZDDLHBYFUXRS-UHFFFAOYSA-N 1 0 486.646 2.795 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670079 1062226637 /nfs/dbraw/zinc/22/66/37/1062226637.db2.gz OOIGERSRQNAQAR-RTWAWAEBSA-N 1 0 487.693 2.511 20 0 JFADRO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cs1 ZINC001290448755 1062227055 /nfs/dbraw/zinc/22/70/55/1062227055.db2.gz RCCZTEYGYBEHSS-OHTSDLOESA-N 1 0 495.719 2.597 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001294670314 1062227326 /nfs/dbraw/zinc/22/73/26/1062227326.db2.gz RMLPZYCZNWGAKQ-UHFFFAOYSA-N 1 0 484.693 2.956 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CCc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294670634 1062228310 /nfs/dbraw/zinc/22/83/10/1062228310.db2.gz SWAZFTPEVKMLFY-NRFANRHFSA-N 1 0 459.660 2.809 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)CC1 ZINC001294674512 1062233747 /nfs/dbraw/zinc/23/37/47/1062233747.db2.gz JPQOMKFMPRNIAT-UHFFFAOYSA-N 1 0 484.645 2.999 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001294674659 1062233830 /nfs/dbraw/zinc/23/38/30/1062233830.db2.gz LNXCEKSTKJOOEX-OAQYLSRUSA-N 1 0 491.036 2.588 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001294674918 1062234419 /nfs/dbraw/zinc/23/44/19/1062234419.db2.gz OLTPNEWJZXKJJM-FQEVSTJZSA-N 1 0 481.645 2.780 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CCCC3)nc2)CC1 ZINC001294674964 1062234879 /nfs/dbraw/zinc/23/48/79/1062234879.db2.gz PIRQQSPRURQGJY-UHFFFAOYSA-N 1 0 468.650 2.770 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001294675144 1062235629 /nfs/dbraw/zinc/23/56/29/1062235629.db2.gz RWGLKBUWMZXMOY-GOSISDBHSA-N 1 0 479.670 2.982 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)CC1 ZINC001294675891 1062237409 /nfs/dbraw/zinc/23/74/09/1062237409.db2.gz SEEOKTGDROQEAD-OAHLLOKOSA-N 1 0 470.590 2.525 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nc(C)c(C)s2)CC1 ZINC001294675766 1062237523 /nfs/dbraw/zinc/23/75/23/1062237523.db2.gz PEJALRLHPQVHLK-MRXNPFEDSA-N 1 0 483.708 2.515 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3OC)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001294676637 1062237953 /nfs/dbraw/zinc/23/79/53/1062237953.db2.gz AFALYSXYRTWAGG-UHFFFAOYSA-N 1 0 461.632 2.842 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001294676851 1062238275 /nfs/dbraw/zinc/23/82/75/1062238275.db2.gz GKDIFHBINMRQOS-UHFFFAOYSA-N 1 0 467.039 2.881 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 ZINC001294683413 1062242271 /nfs/dbraw/zinc/24/22/71/1062242271.db2.gz NWOPQNOLYSOZFL-LJQANCHMSA-N 1 0 461.632 2.548 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 ZINC001294692877 1062252485 /nfs/dbraw/zinc/25/24/85/1062252485.db2.gz DRDPMHUECNITRS-IXDOHACOSA-N 1 0 462.611 2.634 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001294693868 1062253916 /nfs/dbraw/zinc/25/39/16/1062253916.db2.gz IKSBAAAXBFBYCJ-NHCUHLMSSA-N 1 0 496.660 2.883 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 ZINC001294694687 1062255394 /nfs/dbraw/zinc/25/53/94/1062255394.db2.gz LJQIELDDIDHHIV-OAQYLSRUSA-N 1 0 472.659 2.980 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001294694693 1062255496 /nfs/dbraw/zinc/25/54/96/1062255496.db2.gz LMKINDCTDOMJTG-HWHXTQLESA-N 1 0 476.666 2.845 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 ZINC001294695582 1062256865 /nfs/dbraw/zinc/25/68/65/1062256865.db2.gz OFQGRBQCOKBZCD-KRWDZBQOSA-N 1 0 499.479 2.545 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001294696128 1062257771 /nfs/dbraw/zinc/25/77/71/1062257771.db2.gz QTYRYLQFUVJQAJ-FNAHDJPLSA-N 1 0 496.722 2.796 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294697586 1062259279 /nfs/dbraw/zinc/25/92/79/1062259279.db2.gz HZWUOXVCMHKCQL-FYYLOGMGSA-N 1 0 496.704 2.950 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OC)C1 ZINC001294699470 1062263198 /nfs/dbraw/zinc/26/31/98/1062263198.db2.gz OCICWQFXXGBFLR-VQTJNVASSA-N 1 0 461.632 2.838 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001294699371 1062263596 /nfs/dbraw/zinc/26/35/96/1062263596.db2.gz PFKFOTZAPHXDQS-QGZVFWFLSA-N 1 0 452.529 2.684 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287087033 1062266197 /nfs/dbraw/zinc/26/61/97/1062266197.db2.gz RAGNFQUEARIQCT-QZNHQXDQSA-N 1 0 490.693 2.525 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294700962 1062266630 /nfs/dbraw/zinc/26/66/30/1062266630.db2.gz YZTYXYLRKMMZAX-HXUWFJFHSA-N 1 0 475.663 2.513 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294701047 1062266672 /nfs/dbraw/zinc/26/66/72/1062266672.db2.gz ZWNWXIMEXUYXAS-FQEVSTJZSA-N 1 0 452.669 2.718 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294700536 1062266858 /nfs/dbraw/zinc/26/68/58/1062266858.db2.gz XMPYEMBPCNAMQF-DBXWQHBBSA-N 1 0 459.566 2.709 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294701138 1062267134 /nfs/dbraw/zinc/26/71/34/1062267134.db2.gz WVCBTNKVODCGOZ-RBUKOAKNSA-N 1 0 470.618 2.894 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001294706713 1062270301 /nfs/dbraw/zinc/27/03/01/1062270301.db2.gz CROMTXIFAQKWMD-WOJBJXKFSA-N 1 0 487.674 2.639 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294706329 1062270535 /nfs/dbraw/zinc/27/05/35/1062270535.db2.gz ASICCRCNEYRCAP-SFTDATJTSA-N 1 0 457.623 2.794 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001294707766 1062272068 /nfs/dbraw/zinc/27/20/68/1062272068.db2.gz GMBULBZSWMTGBZ-QHCPKHFHSA-N 1 0 468.646 2.737 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001294708251 1062273298 /nfs/dbraw/zinc/27/32/98/1062273298.db2.gz HTXFGHIBTGUQIB-HSZRJFAPSA-N 1 0 473.710 2.922 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294709145 1062276844 /nfs/dbraw/zinc/27/68/44/1062276844.db2.gz GYFANZFJASYBQN-LQWHRVPQSA-N 1 0 475.556 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294709421 1062277722 /nfs/dbraw/zinc/27/77/22/1062277722.db2.gz LOEZQHPOEPDUQQ-PZJWPPBQSA-N 1 0 454.619 2.809 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001294712945 1062284132 /nfs/dbraw/zinc/28/41/32/1062284132.db2.gz WLHODXFZPBKNKS-JOCHJYFZSA-N 1 0 453.635 2.833 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713339 1062286182 /nfs/dbraw/zinc/28/61/82/1062286182.db2.gz YRISVMFDAFXHDE-FGZHOGPDSA-N 1 0 459.660 2.951 20 0 JFADRO CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001287093478 1062292349 /nfs/dbraw/zinc/29/23/49/1062292349.db2.gz BMPNFLHQINWOMD-MRXNPFEDSA-N 1 0 470.540 2.699 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCCC2)CC1=O ZINC001294719435 1062292284 /nfs/dbraw/zinc/29/22/84/1062292284.db2.gz CCOVVOINOOSDAO-UHFFFAOYSA-N 1 0 470.618 2.897 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001294720073 1062294306 /nfs/dbraw/zinc/29/43/06/1062294306.db2.gz GZDQCJUBKADQRJ-NRFANRHFSA-N 1 0 468.646 2.925 20 0 JFADRO CC(C)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001287094450 1062295119 /nfs/dbraw/zinc/29/51/19/1062295119.db2.gz MDTASPUBYHBIFG-SFHVURJKSA-N 1 0 458.582 2.820 20 0 JFADRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1)C[NH+]1CCCC1 ZINC001287094513 1062295596 /nfs/dbraw/zinc/29/55/96/1062295596.db2.gz WSKSWAQDQVZHCM-NRFANRHFSA-N 1 0 478.439 2.859 20 0 JFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001294721618 1062297980 /nfs/dbraw/zinc/29/79/80/1062297980.db2.gz XRIGFVVNTFRSNU-HXUWFJFHSA-N 1 0 459.616 2.736 20 0 JFADRO CC(C)(Cn1c(-c2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001287095707 1062299170 /nfs/dbraw/zinc/29/91/70/1062299170.db2.gz ZJZFCHGNNXKTCP-KRWDZBQOSA-N 1 0 479.551 2.967 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(Br)s3)n2CCOCC[NH+](C)C)CC1=O ZINC001294722282 1062299640 /nfs/dbraw/zinc/29/96/40/1062299640.db2.gz VPQBAYKOTOKIAT-UHFFFAOYSA-N 1 0 499.479 2.796 20 0 JFADRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3C)CC2)cc1 ZINC001290505966 1062303147 /nfs/dbraw/zinc/30/31/47/1062303147.db2.gz RADXFLHYQDAWLC-UHFFFAOYSA-N 1 0 457.596 2.892 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CC1=O ZINC001294724375 1062304063 /nfs/dbraw/zinc/30/40/63/1062304063.db2.gz MIPCDIANZITATA-UHFFFAOYSA-N 1 0 454.619 2.813 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC001294724453 1062304494 /nfs/dbraw/zinc/30/44/94/1062304494.db2.gz PRLGWXUFOXIVHY-JOCHJYFZSA-N 1 0 468.646 2.939 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001294724722 1062305698 /nfs/dbraw/zinc/30/56/98/1062305698.db2.gz UNKYMGUIHXZAJG-LJQANCHMSA-N 1 0 458.582 2.501 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001294724720 1062305835 /nfs/dbraw/zinc/30/58/35/1062305835.db2.gz UNKYMGUIHXZAJG-IBGZPJMESA-N 1 0 458.582 2.501 20 0 JFADRO CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001287099297 1062307334 /nfs/dbraw/zinc/30/73/34/1062307334.db2.gz WSMXSGJRWGKMRE-LJQANCHMSA-N 1 0 455.607 2.789 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC001294728833 1062309507 /nfs/dbraw/zinc/30/95/07/1062309507.db2.gz BIJRNDBSCVOUEP-IFMALSPDSA-N 1 0 481.645 2.589 20 0 JFADRO CCCN1CCCN(c2nnc(CC(C)(C)C)n2CCCC[NH+]2CCN(CC)CC2)CC1=O ZINC001294733383 1062314761 /nfs/dbraw/zinc/31/47/61/1062314761.db2.gz AYHNUUBPIXODKC-UHFFFAOYSA-N 1 0 461.699 2.733 20 0 JFADRO Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001290517170 1062316817 /nfs/dbraw/zinc/31/68/17/1062316817.db2.gz AMFFJQQHTUDELK-JOCHJYFZSA-N 1 0 464.618 2.580 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+](CC)CCC(F)(F)F)CC1=O ZINC001294734334 1062317870 /nfs/dbraw/zinc/31/78/70/1062317870.db2.gz UKXFXLHUYBCAQO-GOSISDBHSA-N 1 0 474.572 2.895 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)Cc2ccccc2)CC1=O ZINC001294734664 1062319349 /nfs/dbraw/zinc/31/93/49/1062319349.db2.gz YYBBHQWPCKXMNE-JOCHJYFZSA-N 1 0 454.619 2.753 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001287108732 1062319961 /nfs/dbraw/zinc/31/99/61/1062319961.db2.gz DIGNEIIRHALTSQ-PMACEKPBSA-N 1 0 458.607 2.763 20 0 JFADRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)c1cccc(OC)c1 ZINC001290520866 1062320363 /nfs/dbraw/zinc/32/03/63/1062320363.db2.gz QBGKSXVDCSDUNT-SFHVURJKSA-N 1 0 457.955 2.948 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001287108897 1062320568 /nfs/dbraw/zinc/32/05/68/1062320568.db2.gz GJIQHLIJJMMIDN-HXUWFJFHSA-N 1 0 468.631 2.794 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+]2CCCCC2)CC1=O ZINC001294735588 1062321378 /nfs/dbraw/zinc/32/13/78/1062321378.db2.gz XMGIDJYUULTONS-UHFFFAOYSA-N 1 0 459.664 2.959 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001287110412 1062324640 /nfs/dbraw/zinc/32/46/40/1062324640.db2.gz RWBNEXVDVNDLSB-UHFFFAOYSA-N 1 0 486.636 2.814 20 0 JFADRO CCCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC001294741124 1062326665 /nfs/dbraw/zinc/32/66/65/1062326665.db2.gz VRNVQOIKKFKEGR-QFIPXVFZSA-N 1 0 454.619 2.954 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(CCOc3ccccc3)n2CC[NH+]2CCSCC2)CC1 ZINC001287111886 1062327054 /nfs/dbraw/zinc/32/70/54/1062327054.db2.gz BNOSDMNXZQJFTO-UHFFFAOYSA-N 1 0 486.686 2.643 20 0 JFADRO CCCN1CCCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC001294742862 1062330319 /nfs/dbraw/zinc/33/03/19/1062330319.db2.gz HCLNGZGHTGSLCV-FQEVSTJZSA-N 1 0 470.618 2.799 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287112806 1062331573 /nfs/dbraw/zinc/33/15/73/1062331573.db2.gz WDTJJOKGPMMOPA-QFIPXVFZSA-N 1 0 460.667 2.552 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001294743549 1062332432 /nfs/dbraw/zinc/33/24/32/1062332432.db2.gz CCQZFUPXLDTGBP-CTNGQTDRSA-N 1 0 476.666 2.845 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001294743937 1062333796 /nfs/dbraw/zinc/33/37/96/1062333796.db2.gz HUALFGRYNIZEPI-CUWPLCDZSA-N 1 0 478.638 2.896 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 ZINC001294743961 1062334616 /nfs/dbraw/zinc/33/46/16/1062334616.db2.gz IDECAKLNRAHCTB-RXVVDRJESA-N 1 0 490.674 2.724 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001294743971 1062334714 /nfs/dbraw/zinc/33/47/14/1062334714.db2.gz INHAFBVQWBKHKQ-QMMLZNLJSA-N 1 0 475.037 2.943 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001294743940 1062334839 /nfs/dbraw/zinc/33/48/39/1062334839.db2.gz HUALFGRYNIZEPI-QFUCXCTJSA-N 1 0 478.638 2.896 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001294744179 1062335116 /nfs/dbraw/zinc/33/51/16/1062335116.db2.gz ODMFLGDIUKZZQV-HBFSDRIKSA-N 1 0 476.647 2.550 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001294744180 1062335470 /nfs/dbraw/zinc/33/54/70/1062335470.db2.gz ODMFLGDIUKZZQV-NSHGMRRFSA-N 1 0 476.647 2.550 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294744717 1062336362 /nfs/dbraw/zinc/33/63/62/1062336362.db2.gz AZZUJZAMBHPUNK-HOCLYGCPSA-N 1 0 464.412 2.577 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294744723 1062336521 /nfs/dbraw/zinc/33/65/21/1062336521.db2.gz BGOMWSDVAMYRFL-IBGZPJMESA-N 1 0 464.636 2.581 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290537686 1062338360 /nfs/dbraw/zinc/33/83/60/1062338360.db2.gz ICVVPBFGBORYFS-HXUWFJFHSA-N 1 0 470.647 2.865 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC001294753595 1062341901 /nfs/dbraw/zinc/34/19/01/1062341901.db2.gz OPNKACOTRZMZIF-FHWLQOOXSA-N 1 0 485.599 2.814 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001294754934 1062344710 /nfs/dbraw/zinc/34/47/10/1062344710.db2.gz KPTQCUKAPFXVDO-UPVQGACJSA-N 1 0 467.662 2.700 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294757059 1062346864 /nfs/dbraw/zinc/34/68/64/1062346864.db2.gz INUBVUJMNAEJSJ-QHCPKHFHSA-N 1 0 488.702 2.800 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294757412 1062347586 /nfs/dbraw/zinc/34/75/86/1062347586.db2.gz KUDQWGJRHOYDTL-FQEVSTJZSA-N 1 0 480.704 2.665 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294759352 1062349129 /nfs/dbraw/zinc/34/91/29/1062349129.db2.gz CDCJCRCIOKWHMP-IMSXRSKXSA-N 1 0 497.706 2.597 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001287117223 1062350821 /nfs/dbraw/zinc/35/08/21/1062350821.db2.gz FPWWNFIZBJNYIA-NHCUHLMSSA-N 1 0 465.602 2.901 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[NH+]1CCC(C)CC1 ZINC001290548788 1062351002 /nfs/dbraw/zinc/35/10/02/1062351002.db2.gz FQDKAJKRWLZCAB-UHFFFAOYSA-N 1 0 484.674 2.988 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287117567 1062352236 /nfs/dbraw/zinc/35/22/36/1062352236.db2.gz WBKKCGWNWHOHDS-XMMPIXPASA-N 1 0 492.640 2.889 20 0 JFADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)cn2)CC1 ZINC001290550130 1062353364 /nfs/dbraw/zinc/35/33/64/1062353364.db2.gz ZAADYEQEDIKWCA-FQEVSTJZSA-N 1 0 457.619 2.877 20 0 JFADRO O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001290553366 1062355515 /nfs/dbraw/zinc/35/55/15/1062355515.db2.gz AWJWVWSRBCKRTI-DHLKQENFSA-N 1 0 452.555 2.953 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001287119140 1062357861 /nfs/dbraw/zinc/35/78/61/1062357861.db2.gz KDMOUJQAGATEEN-RTBURBONSA-N 1 0 470.647 2.784 20 0 JFADRO CCCn1nc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001294766564 1062359253 /nfs/dbraw/zinc/35/92/53/1062359253.db2.gz CHHPBSYVTFIKHG-RTBURBONSA-N 1 0 499.685 2.973 20 0 JFADRO CCCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001294766563 1062359327 /nfs/dbraw/zinc/35/93/27/1062359327.db2.gz CHHPBSYVTFIKHG-OALUTQOASA-N 1 0 499.685 2.973 20 0 JFADRO Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001290557248 1062360276 /nfs/dbraw/zinc/36/02/76/1062360276.db2.gz KZSWAMVWVXLYQM-HSZRJFAPSA-N 1 0 451.619 2.731 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287119684 1062360679 /nfs/dbraw/zinc/36/06/79/1062360679.db2.gz CKJLGHVEZINUOO-QFIPXVFZSA-N 1 0 454.619 2.533 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287120141 1062361479 /nfs/dbraw/zinc/36/14/79/1062361479.db2.gz ICIGNORACCLPSJ-FQEVSTJZSA-N 1 0 472.609 2.672 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001287120399 1062362638 /nfs/dbraw/zinc/36/26/38/1062362638.db2.gz QMIHHSDTQBENKA-TZIWHRDSSA-N 1 0 473.666 2.625 20 0 JFADRO CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C)COC)c2ccccc2c1=O ZINC001294770582 1062369164 /nfs/dbraw/zinc/36/91/64/1062369164.db2.gz IKIHYTQPSOUYPA-IBGZPJMESA-N 1 0 467.618 2.878 20 0 JFADRO CCCn1nc(-c2nnc(N3CCS[C@H](C)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294771971 1062372284 /nfs/dbraw/zinc/37/22/84/1062372284.db2.gz WMZGEBYYBCIVMS-DLBZAZTESA-N 1 0 455.632 2.957 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001287122830 1062374403 /nfs/dbraw/zinc/37/44/03/1062374403.db2.gz XOYHJWBYOQURDN-RTWAWAEBSA-N 1 0 462.683 2.801 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001287123005 1062375582 /nfs/dbraw/zinc/37/55/82/1062375582.db2.gz CPPLAQOBWCXRCU-NRFANRHFSA-N 1 0 484.645 2.512 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001287123896 1062379511 /nfs/dbraw/zinc/37/95/11/1062379511.db2.gz NWQMHQNODBAEAX-NRFANRHFSA-N 1 0 462.683 2.845 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287124286 1062380828 /nfs/dbraw/zinc/38/08/28/1062380828.db2.gz HMNRCLCGZRWWME-FCHUYYIVSA-N 1 0 489.709 2.534 20 0 JFADRO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001287125445 1062387033 /nfs/dbraw/zinc/38/70/33/1062387033.db2.gz BJTQHXOPZVYABT-FCHUYYIVSA-N 1 0 487.693 2.767 20 0 JFADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)n1 ZINC001290581543 1062387771 /nfs/dbraw/zinc/38/77/71/1062387771.db2.gz MWKRPZAWVJJQJK-NRFANRHFSA-N 1 0 456.639 2.947 20 0 JFADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)n1 ZINC001290582344 1062389074 /nfs/dbraw/zinc/38/90/74/1062389074.db2.gz ULDVBMAHYYAZIJ-OAQYLSRUSA-N 1 0 456.639 2.803 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001287125783 1062389481 /nfs/dbraw/zinc/38/94/81/1062389481.db2.gz QARWLKKGCLVQEV-MZLICYQSSA-N 1 0 478.707 2.946 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCC[N@@H+]3CCCO)C2)n1 ZINC001290585301 1062393729 /nfs/dbraw/zinc/39/37/29/1062393729.db2.gz UOODEOZGGGOKGE-SFTDATJTSA-N 1 0 458.655 2.763 20 0 JFADRO CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001287127501 1062396781 /nfs/dbraw/zinc/39/67/81/1062396781.db2.gz JSPIHNHKYCNKJV-IRLDBZIGSA-N 1 0 454.619 2.655 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001294789905 1062399259 /nfs/dbraw/zinc/39/92/59/1062399259.db2.gz GGFADYZMZJTXTA-RBBKRZOGSA-N 1 0 454.619 2.656 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001294789906 1062399391 /nfs/dbraw/zinc/39/93/91/1062399391.db2.gz GGFADYZMZJTXTA-UNMCSNQZSA-N 1 0 454.619 2.656 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C(F)(F)F)c3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001290597794 1062420267 /nfs/dbraw/zinc/42/02/67/1062420267.db2.gz JRXZVRDRYKNEHI-JOCHJYFZSA-N 1 0 477.535 2.862 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001294794408 1062422385 /nfs/dbraw/zinc/42/23/85/1062422385.db2.gz HXEOVLNCTNBZHG-WOJBJXKFSA-N 1 0 457.623 2.517 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(F)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001290598744 1062424358 /nfs/dbraw/zinc/42/43/58/1062424358.db2.gz WPKFWDHXDWZAMO-UHFFFAOYSA-N 1 0 468.625 2.941 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(OC(C)C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001290599569 1062429105 /nfs/dbraw/zinc/42/91/05/1062429105.db2.gz WZXKCHMWHUQEKA-RUZDIDTESA-N 1 0 467.618 2.630 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001294797548 1062433591 /nfs/dbraw/zinc/43/35/91/1062433591.db2.gz UESLHIAJHJYGEY-UGKGYDQZSA-N 1 0 480.592 2.920 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001294797298 1062433643 /nfs/dbraw/zinc/43/36/43/1062433643.db2.gz SBZXEGFLRMECBV-VJBWXMMDSA-N 1 0 495.672 2.837 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001294805747 1062457789 /nfs/dbraw/zinc/45/77/89/1062457789.db2.gz UYNLFSUCUYAZAT-UNMCSNQZSA-N 1 0 453.635 2.881 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CC=CCC2)C1 ZINC001294806609 1062459597 /nfs/dbraw/zinc/45/95/97/1062459597.db2.gz WVUFHGQYGNHBLI-QFIPXVFZSA-N 1 0 466.630 2.882 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001294810069 1062466011 /nfs/dbraw/zinc/46/60/11/1062466011.db2.gz BKFNKMBANYPNFJ-PMACEKPBSA-N 1 0 489.709 2.915 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001290618118 1062472623 /nfs/dbraw/zinc/47/26/23/1062472623.db2.gz SLBCYLGFZDFKIF-XYJFISCASA-N 1 0 455.529 2.778 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287136744 1062472553 /nfs/dbraw/zinc/47/25/53/1062472553.db2.gz HEYCFOFBTWLAEH-IBGZPJMESA-N 1 0 475.037 2.919 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001290626049 1062498277 /nfs/dbraw/zinc/49/82/77/1062498277.db2.gz SXLDCOQTULFRTL-UHFFFAOYSA-N 1 0 478.645 2.732 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](N(C)C(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290629659 1062502743 /nfs/dbraw/zinc/50/27/43/1062502743.db2.gz UUYDMFXLSDVERF-HXUWFJFHSA-N 1 0 474.654 2.926 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001294821973 1062504896 /nfs/dbraw/zinc/50/48/96/1062504896.db2.gz CCZUJHKEWACINF-JOCHJYFZSA-N 1 0 480.592 2.920 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001287143309 1062505558 /nfs/dbraw/zinc/50/55/58/1062505558.db2.gz WGABVGZYYJIBLG-NRFANRHFSA-N 1 0 496.722 2.748 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCC[NH+](C(C)C)C(C)C)n1 ZINC001290631742 1062506904 /nfs/dbraw/zinc/50/69/04/1062506904.db2.gz NWCYKKJMVFGBMU-UHFFFAOYSA-N 1 0 479.695 2.662 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290631899 1062507647 /nfs/dbraw/zinc/50/76/47/1062507647.db2.gz SGPLUUHCOFILFL-VABKMULXSA-N 1 0 473.666 2.890 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001294822901 1062509396 /nfs/dbraw/zinc/50/93/96/1062509396.db2.gz SNYZGDBKRHXXML-LJQANCHMSA-N 1 0 468.650 2.988 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287144794 1062509596 /nfs/dbraw/zinc/50/95/96/1062509596.db2.gz IJYYJVMZQYUIEY-VGOFRKELSA-N 1 0 495.466 2.612 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001287146349 1062512493 /nfs/dbraw/zinc/51/24/93/1062512493.db2.gz QRAPOONOCMLOKE-XMMPIXPASA-N 1 0 455.607 2.787 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)n1 ZINC001290635150 1062514651 /nfs/dbraw/zinc/51/46/51/1062514651.db2.gz KPCCALJHGICZON-FQEVSTJZSA-N 1 0 499.582 2.800 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001294833357 1062522356 /nfs/dbraw/zinc/52/23/56/1062522356.db2.gz ZIMNVTALLVTXIE-FQEVSTJZSA-N 1 0 453.635 2.738 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001290641179 1062529215 /nfs/dbraw/zinc/52/92/15/1062529215.db2.gz WLZWVUOIZVJWFV-JOCHJYFZSA-N 1 0 481.645 2.938 20 0 JFADRO CCCNC(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294838654 1062530127 /nfs/dbraw/zinc/53/01/27/1062530127.db2.gz FLIOQRDDOUDWTR-INIZCTEOSA-N 1 0 450.534 2.993 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287153242 1062530968 /nfs/dbraw/zinc/53/09/68/1062530968.db2.gz MCAWMZSMPDWDRS-CYFREDJKSA-N 1 0 461.582 2.562 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001290642094 1062532147 /nfs/dbraw/zinc/53/21/47/1062532147.db2.gz VNDJWQQVRRFWCR-DENIHFKCSA-N 1 0 470.666 2.565 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCc2nnc(C)s2)n1 ZINC001290645206 1062534284 /nfs/dbraw/zinc/53/42/84/1062534284.db2.gz FSGCQCWYRJAVLN-UHFFFAOYSA-N 1 0 457.652 2.710 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](c4ccccc4Cl)C3)n2CCOCC[NH+](C)C)n1 ZINC001290646855 1062538495 /nfs/dbraw/zinc/53/84/95/1062538495.db2.gz ADADVGOWDIIKLQ-QFIPXVFZSA-N 1 0 488.036 2.949 20 0 JFADRO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001287155611 1062540149 /nfs/dbraw/zinc/54/01/49/1062540149.db2.gz DEWIERQPJPUMFK-VQTJNVASSA-N 1 0 489.665 2.738 20 0 JFADRO 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Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001290853017 1062738153 /nfs/dbraw/zinc/73/81/53/1062738153.db2.gz UKONINRUMSPEFS-QFIPXVFZSA-N 1 0 497.644 2.919 20 0 JFADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001290857423 1062741729 /nfs/dbraw/zinc/74/17/29/1062741729.db2.gz MRTCFHODUUTAGV-WZOHSFFVSA-N 1 0 459.683 2.666 20 0 JFADRO O=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001290859694 1062743469 /nfs/dbraw/zinc/74/34/69/1062743469.db2.gz HUCRKIGHXWDRMS-YADHBBJMSA-N 1 0 463.500 2.971 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cccn(CC(=O)OC(C)(C)C)c3=O)cc2)CC1 ZINC001290859565 1062743630 /nfs/dbraw/zinc/74/36/30/1062743630.db2.gz DNALKUAIGSMIDB-UHFFFAOYSA-N 1 0 454.571 2.580 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001290868451 1062751328 /nfs/dbraw/zinc/75/13/28/1062751328.db2.gz YIJFJKHYONVYGR-BHDDXSALSA-N 1 0 473.710 2.724 20 0 JFADRO CCCOc1ccc(Cn2c(N3CC[N@H+](CC)[C@@H](C)C3)nnc2[C@]2(OCC)CCOC2)cn1 ZINC001294971975 1062753574 /nfs/dbraw/zinc/75/35/74/1062753574.db2.gz QCQLOHRQJMIOQR-CYFREDJKSA-N 1 0 458.607 2.693 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290870820 1062756944 /nfs/dbraw/zinc/75/69/44/1062756944.db2.gz YDBFUKWURKBGIH-QPPBQGQZSA-N 1 0 467.662 2.535 20 0 JFADRO CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294976866 1062760869 /nfs/dbraw/zinc/76/08/69/1062760869.db2.gz DMWLWUUTZAYTSZ-PZJWPPBQSA-N 1 0 469.634 2.767 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001287287450 1062761741 /nfs/dbraw/zinc/76/17/41/1062761741.db2.gz MUPMGKRUKRRLPG-HBMCJLEFSA-N 1 0 492.665 2.932 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001287287451 1062761811 /nfs/dbraw/zinc/76/18/11/1062761811.db2.gz MUPMGKRUKRRLPG-HKBOAZHASA-N 1 0 492.665 2.932 20 0 JFADRO Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290898284 1062771790 /nfs/dbraw/zinc/77/17/90/1062771790.db2.gz VOSUCGGFFUQLJT-FPOVZHCZSA-N 1 0 469.634 2.901 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001290901544 1062773443 /nfs/dbraw/zinc/77/34/43/1062773443.db2.gz BSMIBPIMRWSCGU-PKOBYXMFSA-N 1 0 456.595 2.947 20 0 JFADRO Cc1noc([C@@H](C)N2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CC2)n1 ZINC001290902307 1062774461 /nfs/dbraw/zinc/77/44/61/1062774461.db2.gz ITENPOGGIULCOT-QGZVFWFLSA-N 1 0 489.024 2.751 20 0 JFADRO COc1ccc(CC(=O)NCc2ccc(C(=O)NCC3(O)CC[NH+](C(C)C)CC3)cc2)cc1 ZINC001294993462 1062780694 /nfs/dbraw/zinc/78/06/94/1062780694.db2.gz ORECTDAWRUUSJA-UHFFFAOYSA-N 1 0 453.583 2.519 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001295001780 1062787855 /nfs/dbraw/zinc/78/78/55/1062787855.db2.gz GUQJAYWMCSBAJZ-NJDAHSKKSA-N 1 0 467.680 2.698 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001295001790 1062787898 /nfs/dbraw/zinc/78/78/98/1062787898.db2.gz GUQJAYWMCSBAJZ-QHAWAJNXSA-N 1 0 467.680 2.698 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1)[NH+](C)C ZINC001287319225 1062791862 /nfs/dbraw/zinc/79/18/62/1062791862.db2.gz IAYPEVYRNZGFBA-MRXNPFEDSA-N 1 0 482.555 2.726 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1)[NH+](C)C ZINC001287319520 1062792461 /nfs/dbraw/zinc/79/24/61/1062792461.db2.gz LZHPBECKZINGCR-IBGZPJMESA-N 1 0 459.664 2.879 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290921840 1062797782 /nfs/dbraw/zinc/79/77/82/1062797782.db2.gz RGQFGKPLUDJKGX-IBGZPJMESA-N 1 0 494.644 2.868 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001287321575 1062799210 /nfs/dbraw/zinc/79/92/10/1062799210.db2.gz JQVNKWFWGIYXKU-QZTJIDSGSA-N 1 0 469.055 2.983 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290925012 1062800003 /nfs/dbraw/zinc/80/00/03/1062800003.db2.gz AZNFXOKGWKKPNT-VWLOTQADSA-N 1 0 490.649 2.795 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1)[NH+](C)C ZINC001287324140 1062801298 /nfs/dbraw/zinc/80/12/98/1062801298.db2.gz YZNSYCIZLSSFDZ-CMKODMSKSA-N 1 0 478.663 2.652 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001287327894 1062801744 /nfs/dbraw/zinc/80/17/44/1062801744.db2.gz CPNXKFNQMZVIPV-VQTJNVASSA-N 1 0 458.655 2.786 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001287327871 1062801855 /nfs/dbraw/zinc/80/18/55/1062801855.db2.gz CFLVEAUNXAYFKZ-QHCPKHFHSA-N 1 0 496.704 2.887 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001287328108 1062802328 /nfs/dbraw/zinc/80/23/28/1062802328.db2.gz FEMAQQWUVFADJD-KNQAVFIVSA-N 1 0 464.618 2.774 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001287328110 1062802350 /nfs/dbraw/zinc/80/23/50/1062802350.db2.gz FEMAQQWUVFADJD-UGKGYDQZSA-N 1 0 464.618 2.774 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+](C)C ZINC001287328107 1062802372 /nfs/dbraw/zinc/80/23/72/1062802372.db2.gz FEMAQQWUVFADJD-DENIHFKCSA-N 1 0 464.618 2.774 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287328507 1062802626 /nfs/dbraw/zinc/80/26/26/1062802626.db2.gz GZIRVMUFGSDFAJ-GGAORHGYSA-N 1 0 478.645 2.598 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295014588 1062803771 /nfs/dbraw/zinc/80/37/71/1062803771.db2.gz DJHBWXACNQNNDM-IBGZPJMESA-N 1 0 477.679 2.692 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001295014542 1062803941 /nfs/dbraw/zinc/80/39/41/1062803941.db2.gz CRAAOMNUEJKZDV-SFHVURJKSA-N 1 0 452.669 2.576 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001287329158 1062804907 /nfs/dbraw/zinc/80/49/07/1062804907.db2.gz RNYDUHCAHXTRPV-ICSRJNTNSA-N 1 0 471.679 2.995 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCC[NH+]1CCCC1 ZINC001290930050 1062805293 /nfs/dbraw/zinc/80/52/93/1062805293.db2.gz YATZMBKJXUNAOW-LJQANCHMSA-N 1 0 464.636 2.688 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001295015095 1062806726 /nfs/dbraw/zinc/80/67/26/1062806726.db2.gz LSZHRDDKYVPUNM-OALUTQOASA-N 1 0 466.696 2.822 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001287330199 1062807176 /nfs/dbraw/zinc/80/71/76/1062807176.db2.gz LITPVLIZUWHLOI-SFTDATJTSA-N 1 0 475.588 2.810 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001287330164 1062807270 /nfs/dbraw/zinc/80/72/70/1062807270.db2.gz LCHGVXQVFCSSHX-IBGZPJMESA-N 1 0 494.644 2.875 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1)[NH+](C)C ZINC001287331029 1062808317 /nfs/dbraw/zinc/80/83/17/1062808317.db2.gz DJGCLVZEXQEQHZ-LPHOPBHVSA-N 1 0 481.613 2.997 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001287333212 1062810292 /nfs/dbraw/zinc/81/02/92/1062810292.db2.gz MVNBBDOJMNFXQH-GMAHTHKFSA-N 1 0 483.661 2.519 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1)[NH+](C)C ZINC001287333354 1062810664 /nfs/dbraw/zinc/81/06/64/1062810664.db2.gz UJCIXDWFQNOHMJ-GOSISDBHSA-N 1 0 498.582 2.952 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001287333745 1062810709 /nfs/dbraw/zinc/81/07/09/1062810709.db2.gz OYPPZIOWNZRXBJ-FQEVSTJZSA-N 1 0 467.593 2.641 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC001287333746 1062811260 /nfs/dbraw/zinc/81/12/60/1062811260.db2.gz OYPPZIOWNZRXBJ-HXUWFJFHSA-N 1 0 467.593 2.641 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287338364 1062815049 /nfs/dbraw/zinc/81/50/49/1062815049.db2.gz FZRZMVOLXZMCKA-DHIUTWEWSA-N 1 0 468.646 2.825 20 0 JFADRO CC(C)C[C@@H](Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339378 1062817118 /nfs/dbraw/zinc/81/71/18/1062817118.db2.gz UWJDZSFYOLHHJZ-RTWAWAEBSA-N 1 0 461.699 2.685 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[C@H](C)[NH+]3CCCCC3)C2)n1 ZINC001290944736 1062819284 /nfs/dbraw/zinc/81/92/84/1062819284.db2.gz WLFNFRSPOKEXTP-HKUYNNGSSA-N 1 0 458.611 2.756 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295020770 1062821661 /nfs/dbraw/zinc/82/16/61/1062821661.db2.gz DLQHKQBKCQRDFQ-RTBURBONSA-N 1 0 466.696 2.649 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CCN1CCCS1(=O)=O ZINC001287349743 1062822467 /nfs/dbraw/zinc/82/24/67/1062822467.db2.gz BCCYZXDLSVZWTL-QFIPXVFZSA-N 1 0 474.675 2.613 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290946772 1062822499 /nfs/dbraw/zinc/82/24/99/1062822499.db2.gz WHCFNBLSVODVCH-PMACEKPBSA-N 1 0 493.678 2.765 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2C[C@@H](CC)[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295021466 1062823835 /nfs/dbraw/zinc/82/38/35/1062823835.db2.gz KODBHRMESIYBAH-HSZRJFAPSA-N 1 0 488.702 2.976 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001290947795 1062824168 /nfs/dbraw/zinc/82/41/68/1062824168.db2.gz CHXIOGXYMHSNIB-LJQANCHMSA-N 1 0 481.605 2.977 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287352694 1062824413 /nfs/dbraw/zinc/82/44/13/1062824413.db2.gz PRCFTJFKCCWRNJ-VXKWHMMOSA-N 1 0 470.666 2.873 20 0 JFADRO CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001287355301 1062825471 /nfs/dbraw/zinc/82/54/71/1062825471.db2.gz FQLUEXJNIJTJQB-IBGZPJMESA-N 1 0 454.685 2.601 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001287356026 1062827081 /nfs/dbraw/zinc/82/70/81/1062827081.db2.gz JVTGNGGSOBIGCF-VXKWHMMOSA-N 1 0 459.660 2.665 20 0 JFADRO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001287358047 1062827493 /nfs/dbraw/zinc/82/74/93/1062827493.db2.gz ZAHOTOOOTKEWLG-UHFFFAOYSA-N 1 0 468.646 2.684 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295024043 1062828943 /nfs/dbraw/zinc/82/89/43/1062828943.db2.gz SUSUOQYDSJDIRG-TZIWHRDSSA-N 1 0 482.695 2.548 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295024042 1062829133 /nfs/dbraw/zinc/82/91/33/1062829133.db2.gz SUSUOQYDSJDIRG-PZJWPPBQSA-N 1 0 482.695 2.548 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287363333 1062829874 /nfs/dbraw/zinc/82/98/74/1062829874.db2.gz FTDNQOUXVNICLZ-QFIPXVFZSA-N 1 0 465.689 2.954 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001295024124 1062829616 /nfs/dbraw/zinc/82/96/16/1062829616.db2.gz WIFFJIOCTZQDLU-TZIWHRDSSA-N 1 0 482.695 2.692 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287369332 1062831839 /nfs/dbraw/zinc/83/18/39/1062831839.db2.gz VSPNLGNCSGECCV-CALCHBBNSA-N 1 0 468.597 2.857 20 0 JFADRO COc1cc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)sc1S(N)(=O)=O ZINC001290961362 1062837793 /nfs/dbraw/zinc/83/77/93/1062837793.db2.gz NQWHLDSWTLDSST-HUUCEWRRSA-N 1 0 451.614 2.812 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287397361 1062841737 /nfs/dbraw/zinc/84/17/37/1062841737.db2.gz ZMCHSTUTUMCDTJ-FQEVSTJZSA-N 1 0 462.683 2.701 20 0 JFADRO C[NH+]1CCN(c2cc(CNC(=O)C3(c4cccc(Br)c4)CC(=O)C3)ccn2)CC1 ZINC001290967364 1062842170 /nfs/dbraw/zinc/84/21/70/1062842170.db2.gz YWSCAVPGXCGJGC-UHFFFAOYSA-N 1 0 457.372 2.513 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287403683 1062846957 /nfs/dbraw/zinc/84/69/57/1062846957.db2.gz PPIRSETWYOWEFZ-AYCKEJKLSA-N 1 0 473.666 2.802 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001287411216 1062850418 /nfs/dbraw/zinc/85/04/18/1062850418.db2.gz ONSFHTSORIGASA-UHFFFAOYSA-N 1 0 467.662 2.781 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001290975660 1062853540 /nfs/dbraw/zinc/85/35/40/1062853540.db2.gz BIAGGEYKXCNLSE-SZNDQCEHSA-N 1 0 467.014 2.842 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001290975975 1062854604 /nfs/dbraw/zinc/85/46/04/1062854604.db2.gz JFZNAADBVJTMTD-IBGZPJMESA-N 1 0 468.646 2.756 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001287417636 1062855050 /nfs/dbraw/zinc/85/50/50/1062855050.db2.gz CEQSBWPIZCTAHU-JYFHCDHNSA-N 1 0 454.663 2.989 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001287442027 1062873964 /nfs/dbraw/zinc/87/39/64/1062873964.db2.gz ASRAQOVWTGSSDN-LEWJYISDSA-N 1 0 468.712 2.706 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001287442360 1062875869 /nfs/dbraw/zinc/87/58/69/1062875869.db2.gz HRQZMJCXYFXJPC-SFTDATJTSA-N 1 0 462.683 2.824 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001287443722 1062879002 /nfs/dbraw/zinc/87/90/02/1062879002.db2.gz XTEPTEAKFMRUPK-NJDAHSKKSA-N 1 0 482.739 2.999 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001295065356 1062882124 /nfs/dbraw/zinc/88/21/24/1062882124.db2.gz DTXUPEHDLOTQIG-UHFFFAOYSA-N 1 0 450.591 2.530 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)C1 ZINC001290990528 1062883592 /nfs/dbraw/zinc/88/35/92/1062883592.db2.gz UKORDDQEFBFVEV-CEXWTWQISA-N 1 0 455.607 2.907 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001290997841 1062890135 /nfs/dbraw/zinc/89/01/35/1062890135.db2.gz NBQUESZUOFTGPJ-ZCNNSNEGSA-N 1 0 453.635 2.687 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001290999164 1062892937 /nfs/dbraw/zinc/89/29/37/1062892937.db2.gz RFZOXYRLKPLCLV-OALUTQOASA-N 1 0 458.655 2.644 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998755 1062892988 /nfs/dbraw/zinc/89/29/88/1062892988.db2.gz PZWIQEDYIHMRBJ-YRPNKDGESA-N 1 0 484.711 2.506 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290998756 1062893172 /nfs/dbraw/zinc/89/31/72/1062893172.db2.gz PZWIQEDYIHMRBJ-ZGXWSNOMSA-N 1 0 484.711 2.506 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCC(=O)NCc1ccccc1 ZINC001287457056 1062895261 /nfs/dbraw/zinc/89/52/61/1062895261.db2.gz OMMYFDWZFRJTIZ-QHCPKHFHSA-N 1 0 468.646 2.732 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000296 1062895383 /nfs/dbraw/zinc/89/53/83/1062895383.db2.gz VOFGOQNYCBPZQJ-KYHREEPGSA-N 1 0 496.722 2.649 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291000254 1062895471 /nfs/dbraw/zinc/89/54/71/1062895471.db2.gz VCRCLODOULEJQW-FGZHOGPDSA-N 1 0 469.678 2.789 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000680 1062896195 /nfs/dbraw/zinc/89/61/95/1062896195.db2.gz WUYZUOOJHHYOLM-XCDZQEORSA-N 1 0 454.685 2.880 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000678 1062896279 /nfs/dbraw/zinc/89/62/79/1062896279.db2.gz WUYZUOOJHHYOLM-MTHXSQLBSA-N 1 0 454.685 2.880 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291001490 1062896974 /nfs/dbraw/zinc/89/69/74/1062896974.db2.gz REUAIJDSZCFDID-FGTMMUONSA-N 1 0 489.690 2.726 20 0 JFADRO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001291006285 1062900949 /nfs/dbraw/zinc/90/09/49/1062900949.db2.gz JYJADJFUQDUIHZ-HSALFYBXSA-N 1 0 480.654 2.647 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287462309 1062902357 /nfs/dbraw/zinc/90/23/57/1062902357.db2.gz MWPNVQLXWCXYSD-WATLYSKOSA-N 1 0 460.667 2.815 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287462906 1062904059 /nfs/dbraw/zinc/90/40/59/1062904059.db2.gz VAYXGTBREFGMHD-BWKNWUBXSA-N 1 0 489.064 2.781 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001291009260 1062906462 /nfs/dbraw/zinc/90/64/62/1062906462.db2.gz CJRWQTUHFJFCPT-WOJBJXKFSA-N 1 0 496.660 2.775 20 0 JFADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010014 1062907856 /nfs/dbraw/zinc/90/78/56/1062907856.db2.gz NXCFFRLOWRBSST-BDTNDASRSA-N 1 0 473.710 2.949 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291010155 1062908347 /nfs/dbraw/zinc/90/83/47/1062908347.db2.gz PJECFSFDRAUDCK-ZCNNSNEGSA-N 1 0 455.607 2.909 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291010153 1062908393 /nfs/dbraw/zinc/90/83/93/1062908393.db2.gz PJECFSFDRAUDCK-HSALFYBXSA-N 1 0 455.607 2.909 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001287464428 1062908367 /nfs/dbraw/zinc/90/83/67/1062908367.db2.gz BFAWOEZIYNFERR-FQEVSTJZSA-N 1 0 461.699 2.634 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001295078928 1062908643 /nfs/dbraw/zinc/90/86/43/1062908643.db2.gz STWCEDLBIQKHOW-RTBURBONSA-N 1 0 457.596 2.679 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001291010591 1062908952 /nfs/dbraw/zinc/90/89/52/1062908952.db2.gz XNPBUJSYECEFLQ-OALUTQOASA-N 1 0 463.671 2.525 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291010883 1062910114 /nfs/dbraw/zinc/91/01/14/1062910114.db2.gz CAUMSRIMBIKGKD-UAFMIMERSA-N 1 0 455.669 2.757 20 0 JFADRO CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011049 1062910966 /nfs/dbraw/zinc/91/09/66/1062910966.db2.gz DWDDIKOZGLFUHU-RHGYRFJNSA-N 1 0 459.639 2.584 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001287465540 1062912850 /nfs/dbraw/zinc/91/28/50/1062912850.db2.gz MRKCOOQXYGEFQL-VXKWHMMOSA-N 1 0 473.710 2.778 20 0 JFADRO CCN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)Cc1ccc(C)o1 ZINC001295081273 1062913414 /nfs/dbraw/zinc/91/34/14/1062913414.db2.gz WSTNKBWUKYJTNK-UHFFFAOYSA-N 1 0 479.629 2.659 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011809 1062913755 /nfs/dbraw/zinc/91/37/55/1062913755.db2.gz PZCTVCLZEHSJTL-PLACYPQZSA-N 1 0 469.696 2.800 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291011863 1062913798 /nfs/dbraw/zinc/91/37/98/1062913798.db2.gz QRJXFODCIIOQPE-PMACEKPBSA-N 1 0 477.617 2.762 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC(CCCO)CC2)C1 ZINC001291011956 1062914433 /nfs/dbraw/zinc/91/44/33/1062914433.db2.gz RUUNQEHGVUFRRG-SFTDATJTSA-N 1 0 460.667 2.871 20 0 JFADRO CC(C)OC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012111 1062914855 /nfs/dbraw/zinc/91/48/55/1062914855.db2.gz USGSLNZKTWNYHW-AQNXPRMDSA-N 1 0 484.711 2.650 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001291012263 1062915705 /nfs/dbraw/zinc/91/57/05/1062915705.db2.gz WUTIPHAZWAPHJB-PMACEKPBSA-N 1 0 456.639 2.529 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012706 1062917815 /nfs/dbraw/zinc/91/78/15/1062917815.db2.gz DBUNVAOHHIBJCK-WCIQWLHISA-N 1 0 489.665 2.701 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291013592 1062920731 /nfs/dbraw/zinc/92/07/31/1062920731.db2.gz PCBYGBUWBUCGGD-KDURUIRLSA-N 1 0 460.648 2.722 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291013694 1062920834 /nfs/dbraw/zinc/92/08/34/1062920834.db2.gz QIWUKDVOWFWTHJ-BGYRXZFFSA-N 1 0 483.665 2.733 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291013695 1062921640 /nfs/dbraw/zinc/92/16/40/1062921640.db2.gz QIWUKDVOWFWTHJ-PMACEKPBSA-N 1 0 483.665 2.733 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N2CCS(=O)CC2)C1 ZINC001291013927 1062922592 /nfs/dbraw/zinc/92/25/92/1062922592.db2.gz UYZXFTCEAHRGEL-IAGOWNOFSA-N 1 0 497.507 2.983 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001291015703 1062926451 /nfs/dbraw/zinc/92/64/51/1062926451.db2.gz VGXYAOYQISZPOH-GGPKGHCWSA-N 1 0 465.689 2.922 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001287476217 1062927642 /nfs/dbraw/zinc/92/76/42/1062927642.db2.gz GJBHZXOUQHEBII-QFIPXVFZSA-N 1 0 461.699 2.587 20 0 JFADRO CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001295114077 1062935427 /nfs/dbraw/zinc/93/54/27/1062935427.db2.gz SZDJMNIPDPWPKW-FHWLQOOXSA-N 1 0 480.654 2.930 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(F)(F)F)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001287481250 1062936294 /nfs/dbraw/zinc/93/62/94/1062936294.db2.gz FKMAWUUMNMXYFN-UHFFFAOYSA-N 1 0 458.573 2.806 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cccc(F)c1 ZINC001287481545 1062937038 /nfs/dbraw/zinc/93/70/38/1062937038.db2.gz FNTAGTZBMWZAOS-HSZRJFAPSA-N 1 0 458.626 2.895 20 0 JFADRO 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CC(C)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001287540425 1062974555 /nfs/dbraw/zinc/97/45/55/1062974555.db2.gz MEDTZUNFYGNALO-FDFHNCONSA-N 1 0 496.722 2.604 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291051344 1062980943 /nfs/dbraw/zinc/98/09/43/1062980943.db2.gz DONKURZUBGRHJE-PMACEKPBSA-N 1 0 459.683 2.845 20 0 JFADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC001295157733 1062981520 /nfs/dbraw/zinc/98/15/20/1062981520.db2.gz IPVPBTQWSJDQPZ-NHCUHLMSSA-N 1 0 496.077 2.849 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001291051555 1062981550 /nfs/dbraw/zinc/98/15/50/1062981550.db2.gz HDNIPPAYYCDISR-DNRQZRRGSA-N 1 0 455.651 2.742 20 0 JFADRO CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295158660 1062982575 /nfs/dbraw/zinc/98/25/75/1062982575.db2.gz LWIWZQMJXOFHCM-SFHVURJKSA-N 1 0 479.647 2.564 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 ZINC001291052778 1062985157 /nfs/dbraw/zinc/98/51/57/1062985157.db2.gz YBYCVJLMWNFIED-ROKPMTFOSA-N 1 0 464.724 2.730 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CC[C@@H](C)C1 ZINC001291052894 1062985920 /nfs/dbraw/zinc/98/59/20/1062985920.db2.gz ZEKFJZUNFVOBBL-NHCUHLMSSA-N 1 0 487.693 2.671 20 0 JFADRO CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](C1CC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295166092 1062990143 /nfs/dbraw/zinc/99/01/43/1062990143.db2.gz DGUSHSKLFREICM-IEBWSBKVSA-N 1 0 482.050 2.961 20 0 JFADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1)C[NH+]1CCCCC1 ZINC001291060934 1062996376 /nfs/dbraw/zinc/99/63/76/1062996376.db2.gz TWPGZBRXAKAGJT-JYAXOCDNSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291061537 1062997423 /nfs/dbraw/zinc/99/74/23/1062997423.db2.gz OVXGIGFARGFDOA-KPZODNFCSA-N 1 0 452.669 2.806 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCC1CCOCC1 ZINC001291061590 1062997450 /nfs/dbraw/zinc/99/74/50/1062997450.db2.gz QYQGQXIMRHRUFX-SNCIUUNGSA-N 1 0 496.722 2.796 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCOc1ccccc1 ZINC001291061764 1062998192 /nfs/dbraw/zinc/99/81/92/1062998192.db2.gz XQVRDNVZPXWHPJ-KBWCOIMZSA-N 1 0 490.674 2.668 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCOc1ccccc1 ZINC001291061765 1062998274 /nfs/dbraw/zinc/99/82/74/1062998274.db2.gz XQVRDNVZPXWHPJ-NYLDSWQDSA-N 1 0 490.674 2.668 20 0 JFADRO CC1CCC([NH+]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCS(=O)(=O)N(C)C)CC2)CC1 ZINC001291061891 1062998885 /nfs/dbraw/zinc/99/88/85/1062998885.db2.gz CIHKQHWTSHEFKN-UHFFFAOYSA-N 1 0 492.665 2.600 20 0 JFADRO CC1CCC([NH+]2CCN(c3nnc(-c4cnn(C)c4)n3CC[S@@](=O)C(C)(C)C)CC2)CC1 ZINC001291062380 1063000755 /nfs/dbraw/zinc/00/07/55/1063000755.db2.gz VXOHUFDGFGICGN-YEHLTVEPSA-N 1 0 461.680 2.927 20 0 JFADRO CC(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001287606518 1063002639 /nfs/dbraw/zinc/00/26/39/1063002639.db2.gz QDFNFRFTVYNXRL-HXUWFJFHSA-N 1 0 461.632 2.696 20 0 JFADRO C[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001291063024 1063003261 /nfs/dbraw/zinc/00/32/61/1063003261.db2.gz IYUDBPDFERDKOU-DLBZAZTESA-N 1 0 494.731 2.942 20 0 JFADRO CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287620906 1063006307 /nfs/dbraw/zinc/00/63/07/1063006307.db2.gz PINRCBSTHYYZOM-LEWJYISDSA-N 1 0 492.665 2.791 20 0 JFADRO CC(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287620907 1063006421 /nfs/dbraw/zinc/00/64/21/1063006421.db2.gz PINRCBSTHYYZOM-NHCUHLMSSA-N 1 0 492.665 2.791 20 0 JFADRO C[C@@H]1CCc2sc(-c3nnc(N4CC[NH+](C(C)(C)C)CC4)n3CCCNS(C)(=O)=O)cc2C1 ZINC001291064355 1063006685 /nfs/dbraw/zinc/00/66/85/1063006685.db2.gz HLBOLVBWPDABPN-QGZVFWFLSA-N 1 0 494.731 2.991 20 0 JFADRO 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CC(C)NC(=O)c1nnc(N(Cc2ccnn2C)C2CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001291065848 1063011098 /nfs/dbraw/zinc/01/10/98/1063011098.db2.gz GTCSJZKDLZYJIS-MHECFPHRSA-N 1 0 456.639 2.829 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001287630645 1063011410 /nfs/dbraw/zinc/01/14/10/1063011410.db2.gz VCDDHMGWMBWPNA-SFTDATJTSA-N 1 0 467.680 2.554 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291066196 1063012013 /nfs/dbraw/zinc/01/20/13/1063012013.db2.gz KNHXUOFRQJOMSX-KBMIEXCESA-N 1 0 468.650 2.987 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291066529 1063012422 /nfs/dbraw/zinc/01/24/22/1063012422.db2.gz OYWZATVSXFPXES-ZBLYBZFDSA-N 1 0 495.672 2.889 20 0 JFADRO C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)([NH+](C)C)C1 ZINC001291067400 1063013866 /nfs/dbraw/zinc/01/38/66/1063013866.db2.gz AMCCNCSKTWXQBE-PWHSHALESA-N 1 0 460.648 2.722 20 0 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C[C@H]1CCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001291137405 1063196813 /nfs/dbraw/zinc/19/68/13/1063196813.db2.gz QIHNAJBCXTXEOL-ICSRJNTNSA-N 1 0 471.606 2.554 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291138472 1063199979 /nfs/dbraw/zinc/19/99/79/1063199979.db2.gz KETMWVXGZSBFBH-GOSISDBHSA-N 1 0 495.093 2.867 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291138961 1063201813 /nfs/dbraw/zinc/20/18/13/1063201813.db2.gz UCKXZUJFFJKXKX-SJORKVTESA-N 1 0 491.434 2.806 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291139103 1063202191 /nfs/dbraw/zinc/20/21/91/1063202191.db2.gz VWLQDJZKKWBYMR-ZWKOTPCHSA-N 1 0 477.654 2.577 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291139077 1063202295 /nfs/dbraw/zinc/20/22/95/1063202295.db2.gz VJPQJBUYWRRZKC-UYAOXDASSA-N 1 0 455.607 2.852 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC001291139307 1063202867 /nfs/dbraw/zinc/20/28/67/1063202867.db2.gz ZPGWHNKAZKMGFX-LJQANCHMSA-N 1 0 468.627 2.788 20 0 JFADRO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001295325866 1063211291 /nfs/dbraw/zinc/21/12/91/1063211291.db2.gz VAJUZWHMQOINTE-OALUTQOASA-N 1 0 487.674 2.591 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295326921 1063218964 /nfs/dbraw/zinc/21/89/64/1063218964.db2.gz GNPAKYPFZWDMSR-XZOQPEGZSA-N 1 0 498.720 2.785 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295327062 1063220086 /nfs/dbraw/zinc/22/00/86/1063220086.db2.gz MLJVAMODQGXACH-JOCHJYFZSA-N 1 0 496.704 2.761 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291143353 1063221724 /nfs/dbraw/zinc/22/17/24/1063221724.db2.gz VNCABERBFFZRLC-UXHICEINSA-N 1 0 464.618 2.951 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291143355 1063222257 /nfs/dbraw/zinc/22/22/57/1063222257.db2.gz VNCABERBFFZRLC-WOJBJXKFSA-N 1 0 464.618 2.951 20 0 JFADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291143732 1063223000 /nfs/dbraw/zinc/22/30/00/1063223000.db2.gz BJEQVHZERMSXPT-IBGZPJMESA-N 1 0 468.712 2.847 20 0 JFADRO C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143672 1063223019 /nfs/dbraw/zinc/22/30/19/1063223019.db2.gz AIWRRHMZVSULJK-VXKWHMMOSA-N 1 0 494.750 2.859 20 0 JFADRO C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291143812 1063223321 /nfs/dbraw/zinc/22/33/21/1063223321.db2.gz CVOOFHZOOAYZSI-FQEVSTJZSA-N 1 0 480.723 2.991 20 0 JFADRO C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291143963 1063223767 /nfs/dbraw/zinc/22/37/67/1063223767.db2.gz GQGGTANYUDUNNQ-LJQANCHMSA-N 1 0 480.704 2.523 20 0 JFADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144623 1063226197 /nfs/dbraw/zinc/22/61/97/1063226197.db2.gz RQJCOJXXAMSRNH-IRLDBZIGSA-N 1 0 474.675 2.788 20 0 JFADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291144900 1063227633 /nfs/dbraw/zinc/22/76/33/1063227633.db2.gz WXLCATMQCKKNMC-VQTJNVASSA-N 1 0 489.665 2.624 20 0 JFADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291145055 1063228046 /nfs/dbraw/zinc/22/80/46/1063228046.db2.gz ZSJZHTFIRIVOSH-QGZVFWFLSA-N 1 0 460.573 2.969 20 0 JFADRO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1)[NH+]1CCC(C)CC1 ZINC001291145014 1063228060 /nfs/dbraw/zinc/22/80/60/1063228060.db2.gz ZELNWJXEKCFEAL-LEWJYISDSA-N 1 0 482.695 2.502 20 0 JFADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291146066 1063230436 /nfs/dbraw/zinc/23/04/36/1063230436.db2.gz WKOWFQNHZZMWGH-HSALFYBXSA-N 1 0 453.653 2.654 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001291146528 1063230952 /nfs/dbraw/zinc/23/09/52/1063230952.db2.gz GMDWEWUZZPUMMH-YLJYHZDGSA-N 1 0 461.010 2.555 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1(C)C ZINC001291146579 1063231643 /nfs/dbraw/zinc/23/16/43/1063231643.db2.gz HLXSGMSWOUWEID-MZNJEOGPSA-N 1 0 475.037 2.801 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001291147731 1063234326 /nfs/dbraw/zinc/23/43/26/1063234326.db2.gz DHTDPHIIRSFBJO-VUHPKUFZSA-N 1 0 466.677 2.879 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001291150489 1063238630 /nfs/dbraw/zinc/23/86/30/1063238630.db2.gz DGNHDHBYUNNYOD-QRVBRYPASA-N 1 0 460.648 2.914 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2([NH+](C)C)CCSC2)[C@H]1C ZINC001291151293 1063240066 /nfs/dbraw/zinc/24/00/66/1063240066.db2.gz RHAAQKAIABXMCJ-STSQHVNTSA-N 1 0 492.715 2.867 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291164062 1063247822 /nfs/dbraw/zinc/24/78/22/1063247822.db2.gz QCFXWDLDBMOACD-IFMALSPDSA-N 1 0 475.659 2.708 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295335044 1063248043 /nfs/dbraw/zinc/24/80/43/1063248043.db2.gz XAFDFKYQISYRAF-JOCHJYFZSA-N 1 0 499.679 2.873 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295335349 1063251519 /nfs/dbraw/zinc/25/15/19/1063251519.db2.gz URYQOIAFMCEVGO-NRFANRHFSA-N 1 0 461.699 2.686 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295336824 1063261016 /nfs/dbraw/zinc/26/10/16/1063261016.db2.gz XGSZBUIVLYVEIV-XMMPIXPASA-N 1 0 496.704 2.841 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001295338424 1063266161 /nfs/dbraw/zinc/26/61/61/1063266161.db2.gz ONHYQYLBVSMJOU-QFIPXVFZSA-N 1 0 473.710 2.874 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001295340105 1063268213 /nfs/dbraw/zinc/26/82/13/1063268213.db2.gz WTIDDMLPDNUAET-HSZRJFAPSA-N 1 0 467.662 2.757 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291179858 1063269871 /nfs/dbraw/zinc/26/98/71/1063269871.db2.gz OPTXHNQNVVJRHI-LEWJYISDSA-N 1 0 466.696 2.774 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC1(O)CCCCC1 ZINC001291180190 1063271445 /nfs/dbraw/zinc/27/14/45/1063271445.db2.gz WCXVRKOLPXHSRS-NHCUHLMSSA-N 1 0 496.722 2.532 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3ccccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291180940 1063273503 /nfs/dbraw/zinc/27/35/03/1063273503.db2.gz RSWYBINXKTWSPF-HXUWFJFHSA-N 1 0 460.648 2.866 20 0 JFADRO CC1CC[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001291181267 1063274144 /nfs/dbraw/zinc/27/41/44/1063274144.db2.gz BQNWITMNNCXQHB-UHFFFAOYSA-N 1 0 479.622 2.743 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[NH+]1CCC(C)CC1 ZINC001291181485 1063275110 /nfs/dbraw/zinc/27/51/10/1063275110.db2.gz JGZHMOSWSVDREA-GOSISDBHSA-N 1 0 477.631 2.665 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001291181536 1063275151 /nfs/dbraw/zinc/27/51/51/1063275151.db2.gz KXLAHPONLPXLAK-UHFFFAOYSA-N 1 0 496.081 2.587 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)C)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001295343945 1063275244 /nfs/dbraw/zinc/27/52/44/1063275244.db2.gz QXOYHWMCNYJCKS-UHFFFAOYSA-N 1 0 451.685 2.813 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181934 1063276893 /nfs/dbraw/zinc/27/68/93/1063276893.db2.gz XIBHFCWICYHFRV-UHFFFAOYSA-N 1 0 499.635 2.526 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001291181997 1063276939 /nfs/dbraw/zinc/27/69/39/1063276939.db2.gz ZPVKTZOQTOAEQX-SFHVURJKSA-N 1 0 466.627 2.786 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3ccccc3Br)nnc2N2CCNC(=O)C2)CC1 ZINC001291182385 1063277488 /nfs/dbraw/zinc/27/74/88/1063277488.db2.gz LLOQHHLHLVIIDQ-UHFFFAOYSA-N 1 0 461.408 2.766 20 0 JFADRO CC1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001291182573 1063277757 /nfs/dbraw/zinc/27/77/57/1063277757.db2.gz QYAAVGCXXAQNHH-UHFFFAOYSA-N 1 0 475.682 2.563 20 0 JFADRO CC1CC[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291182929 1063279010 /nfs/dbraw/zinc/27/90/10/1063279010.db2.gz AVYHTFJUAOAXNA-QFIPXVFZSA-N 1 0 475.659 2.645 20 0 JFADRO CC(C)NC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001291182961 1063279075 /nfs/dbraw/zinc/27/90/75/1063279075.db2.gz BMRCIYGHKLINMT-UHFFFAOYSA-N 1 0 499.679 2.777 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC[NH+]1CCC(C)CC1 ZINC001291183067 1063279572 /nfs/dbraw/zinc/27/95/72/1063279572.db2.gz FGAILJSZYYFLDS-LJQANCHMSA-N 1 0 477.654 2.594 20 0 JFADRO CC1CC[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001291183430 1063280506 /nfs/dbraw/zinc/28/05/06/1063280506.db2.gz RCUQXYNXKRQMPK-LJQANCHMSA-N 1 0 458.582 2.785 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCCCCC2)CC1 ZINC001295345116 1063280998 /nfs/dbraw/zinc/28/09/98/1063280998.db2.gz ULJHAEFYEKZWSI-UHFFFAOYSA-N 1 0 499.679 2.874 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccccc3Br)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001291183930 1063281561 /nfs/dbraw/zinc/28/15/61/1063281561.db2.gz JSKIUHFCHQRPBA-UHFFFAOYSA-N 1 0 461.408 2.718 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1CC[NH+]1CCC(C)CC1 ZINC001291183828 1063281660 /nfs/dbraw/zinc/28/16/60/1063281660.db2.gz GEEYJCYPZGRNTC-HXUWFJFHSA-N 1 0 482.695 2.550 20 0 JFADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291183984 1063281958 /nfs/dbraw/zinc/28/19/58/1063281958.db2.gz LIOVZIRDXXKVIP-RBUKOAKNSA-N 1 0 458.582 2.956 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001291184716 1063283950 /nfs/dbraw/zinc/28/39/50/1063283950.db2.gz IGFLNUSOMMBCJH-FQEVSTJZSA-N 1 0 466.051 2.878 20 0 JFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(-c2ccc[nH]2)n1CC[NH+]1CCC(C)CC1 ZINC001291185192 1063285169 /nfs/dbraw/zinc/28/51/69/1063285169.db2.gz WHBYXQNHNMRFIW-SFHVURJKSA-N 1 0 471.631 2.850 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCC(C)CC1 ZINC001291185795 1063287001 /nfs/dbraw/zinc/28/70/01/1063287001.db2.gz QDBQCWFIDFFPNV-ROUUACIJSA-N 1 0 453.678 2.920 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCS(=O)CC2)CC1 ZINC001291185985 1063288223 /nfs/dbraw/zinc/28/82/23/1063288223.db2.gz VVRWTSYMERXEDK-IBGZPJMESA-N 1 0 480.679 2.651 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001291186325 1063289433 /nfs/dbraw/zinc/28/94/33/1063289433.db2.gz DBKLKCQGSLRSHL-KDURUIRLSA-N 1 0 496.722 2.589 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H](C)O1 ZINC001291186396 1063290256 /nfs/dbraw/zinc/29/02/56/1063290256.db2.gz DQYGFWKDFSQTJI-PFDCGNQRSA-N 1 0 492.709 2.605 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H](C)O1 ZINC001291186395 1063290365 /nfs/dbraw/zinc/29/03/65/1063290365.db2.gz DQYGFWKDFSQTJI-KCSJKLDESA-N 1 0 492.709 2.605 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186641 1063292182 /nfs/dbraw/zinc/29/21/82/1063292182.db2.gz IAPXBYLGCXCBFW-KDURUIRLSA-N 1 0 469.634 2.710 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291187021 1063294189 /nfs/dbraw/zinc/29/41/89/1063294189.db2.gz NWQIUYFUIOGHPH-OYRHEFFESA-N 1 0 483.661 2.923 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001295350367 1063294533 /nfs/dbraw/zinc/29/45/33/1063294533.db2.gz BAFYXBKPDLJDRD-UHFFFAOYSA-N 1 0 488.725 2.793 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001295350388 1063294558 /nfs/dbraw/zinc/29/45/58/1063294558.db2.gz BRSQYAURMHILJY-UHFFFAOYSA-N 1 0 491.644 2.841 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295350576 1063295506 /nfs/dbraw/zinc/29/55/06/1063295506.db2.gz FSIUJELGFGLWHR-VXKWHMMOSA-N 1 0 475.682 2.878 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295351252 1063297616 /nfs/dbraw/zinc/29/76/16/1063297616.db2.gz OSYMOIUAYQAPKE-FPOVZHCZSA-N 1 0 473.622 2.999 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295351942 1063298864 /nfs/dbraw/zinc/29/88/64/1063298864.db2.gz TZXNYIDWDMXHRC-FCHUYYIVSA-N 1 0 469.634 2.669 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2)C[C@H](C)O1 ZINC001291188031 1063299598 /nfs/dbraw/zinc/29/95/98/1063299598.db2.gz DEDBWBWCAOPDLG-PMACEKPBSA-N 1 0 454.619 2.925 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C[C@@H](C)O1 ZINC001291188019 1063299913 /nfs/dbraw/zinc/29/99/13/1063299913.db2.gz CYWBGOHZQYOOJV-WOJBJXKFSA-N 1 0 486.661 2.987 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(N3CCC(C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188328 1063302156 /nfs/dbraw/zinc/30/21/56/1063302156.db2.gz IJJVNVMWXINKKY-PMACEKPBSA-N 1 0 490.693 2.539 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001291188377 1063303020 /nfs/dbraw/zinc/30/30/20/1063303020.db2.gz JAVALPGNZYAKLX-KDURUIRLSA-N 1 0 498.738 2.520 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001291188420 1063303140 /nfs/dbraw/zinc/30/31/40/1063303140.db2.gz JUOIXUYMWDJRLV-HDICACEKSA-N 1 0 490.052 2.973 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)C[C@@H](C)O1 ZINC001291188421 1063303458 /nfs/dbraw/zinc/30/34/58/1063303458.db2.gz JUOIXUYMWDJRLV-QZTJIDSGSA-N 1 0 490.052 2.973 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001295353972 1063305608 /nfs/dbraw/zinc/30/56/08/1063305608.db2.gz DKNRIPYGYGQNLF-NHCUHLMSSA-N 1 0 477.698 2.950 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC001291189237 1063307952 /nfs/dbraw/zinc/30/79/52/1063307952.db2.gz XRLLQTLRKGXNKO-WOJBJXKFSA-N 1 0 468.646 2.653 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291189251 1063308003 /nfs/dbraw/zinc/30/80/03/1063308003.db2.gz YCIRROMZBCUHTC-ZCNNSNEGSA-N 1 0 460.667 2.956 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCC2CCOCC2)C[C@@H](C)O1 ZINC001291189260 1063308275 /nfs/dbraw/zinc/30/82/75/1063308275.db2.gz YHNPTSBLJRCLSN-WOJBJXKFSA-N 1 0 476.666 2.541 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295355647 1063309948 /nfs/dbraw/zinc/30/99/48/1063309948.db2.gz OZRPFEBLYOTRFZ-YADHBBJMSA-N 1 0 482.677 2.968 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295356803 1063312497 /nfs/dbraw/zinc/31/24/97/1063312497.db2.gz YDJLSHZFWSRTJH-UHFFFAOYSA-N 1 0 482.677 2.970 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001295357541 1063313150 /nfs/dbraw/zinc/31/31/50/1063313150.db2.gz AAHQQRNZTCUYIJ-WOJBJXKFSA-N 1 0 492.632 2.551 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001295357618 1063313494 /nfs/dbraw/zinc/31/34/94/1063313494.db2.gz BIGFZMXRMLEYSW-ZWKOTPCHSA-N 1 0 484.630 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295358015 1063313884 /nfs/dbraw/zinc/31/38/84/1063313884.db2.gz FOEBNGLBAHVELU-MSOLQXFVSA-N 1 0 465.643 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001295358709 1063315796 /nfs/dbraw/zinc/31/57/96/1063315796.db2.gz MBCUITJMTUOLAN-LJQANCHMSA-N 1 0 461.655 2.518 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCCCC1 ZINC001291190552 1063315992 /nfs/dbraw/zinc/31/59/92/1063315992.db2.gz YYOYOCURIKLXBF-OAHLLOKOSA-N 1 0 464.412 2.579 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001291192175 1063318549 /nfs/dbraw/zinc/31/85/49/1063318549.db2.gz GAGOBCGEWQDESO-SIKLNZKXSA-N 1 0 470.618 2.565 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001295359250 1063319033 /nfs/dbraw/zinc/31/90/33/1063319033.db2.gz WGHBOVGKAWJIIE-KRWDZBQOSA-N 1 0 463.577 2.751 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 ZINC001295359798 1063320667 /nfs/dbraw/zinc/32/06/67/1063320667.db2.gz BEBSHAIIJUEUIC-FQEVSTJZSA-N 1 0 479.629 2.827 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001295360682 1063321313 /nfs/dbraw/zinc/32/13/13/1063321313.db2.gz FSDMMGPAYUPPOA-WBVHZDCISA-N 1 0 464.517 2.918 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001295360675 1063321328 /nfs/dbraw/zinc/32/13/28/1063321328.db2.gz FSDMMGPAYUPPOA-DOTOQJQBSA-N 1 0 464.517 2.918 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295360536 1063321345 /nfs/dbraw/zinc/32/13/45/1063321345.db2.gz FHFUGLDCEPWEFM-PXNSSMCTSA-N 1 0 477.451 2.959 20 0 JFADRO C[N@H+](CC(=O)N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)[C@@H]1CCC[C@H]1O ZINC001295361091 1063321987 /nfs/dbraw/zinc/32/19/87/1063321987.db2.gz XLPIRTRGMUYMBG-JWQCQUIFSA-N 1 0 451.611 2.782 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295361229 1063322570 /nfs/dbraw/zinc/32/25/70/1063322570.db2.gz JDFFKRSSWQEARG-RDJZCZTQSA-N 1 0 450.534 2.979 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001295362915 1063323054 /nfs/dbraw/zinc/32/30/54/1063323054.db2.gz SGCHVFRCAJMVNF-CABCVRRESA-N 1 0 468.590 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001295363462 1063324172 /nfs/dbraw/zinc/32/41/72/1063324172.db2.gz AMSRTCPNBNCOMA-RTWAWAEBSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295363614 1063324829 /nfs/dbraw/zinc/32/48/29/1063324829.db2.gz CXWRTKVJZJVGAI-HOYKHHGWSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001295363610 1063324852 /nfs/dbraw/zinc/32/48/52/1063324852.db2.gz CWKKWSOYGNDFBM-HKUYNNGSSA-N 1 0 456.591 2.757 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295363572 1063324968 /nfs/dbraw/zinc/32/49/68/1063324968.db2.gz CDSOSWDOMYEBTE-IBGZPJMESA-N 1 0 452.607 2.744 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295364136 1063325965 /nfs/dbraw/zinc/32/59/65/1063325965.db2.gz FCCWSNDGCZNHBN-KBXCAEBGSA-N 1 0 497.413 2.528 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295364143 1063326017 /nfs/dbraw/zinc/32/60/17/1063326017.db2.gz FCCWSNDGCZNHBN-RDTXWAMCSA-N 1 0 497.413 2.528 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001295364432 1063326443 /nfs/dbraw/zinc/32/64/43/1063326443.db2.gz ZANGYJOTOUWORY-SBHAEUEKSA-N 1 0 462.664 2.921 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001295365316 1063327701 /nfs/dbraw/zinc/32/77/01/1063327701.db2.gz GXLSTPVCXSIVGM-ICSRJNTNSA-N 1 0 485.658 2.806 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001295367421 1063332342 /nfs/dbraw/zinc/33/23/42/1063332342.db2.gz SYZXSJFFFBNOJX-FQEVSTJZSA-N 1 0 471.650 2.711 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295367494 1063333150 /nfs/dbraw/zinc/33/31/50/1063333150.db2.gz UPYOHICCFDIKIC-XDHUDOTRSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295368945 1063333703 /nfs/dbraw/zinc/33/37/03/1063333703.db2.gz YSRWEYMGXKVGNO-CTNGQTDRSA-N 1 0 471.650 2.710 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001295369559 1063334766 /nfs/dbraw/zinc/33/47/66/1063334766.db2.gz INFLZBLTFAJULM-ROUUACIJSA-N 1 0 471.631 2.915 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001295370279 1063335720 /nfs/dbraw/zinc/33/57/20/1063335720.db2.gz MHDJOANBQLYOPM-IBGZPJMESA-N 1 0 463.586 2.738 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1CCOCC1 ZINC001295372102 1063338308 /nfs/dbraw/zinc/33/83/08/1063338308.db2.gz BHFMEMIKVXOCAI-FQEVSTJZSA-N 1 0 453.635 2.936 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)C1 ZINC001295372262 1063338507 /nfs/dbraw/zinc/33/85/07/1063338507.db2.gz CDZZPNWSAKRSCS-DLBZAZTESA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 ZINC001295373003 1063339983 /nfs/dbraw/zinc/33/99/83/1063339983.db2.gz JROYAUCRGPJWEZ-SFHVURJKSA-N 1 0 452.607 2.629 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373071 1063340306 /nfs/dbraw/zinc/34/03/06/1063340306.db2.gz XSLSVDXCJSNKFM-NHCUHLMSSA-N 1 0 484.693 2.583 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001295373288 1063340872 /nfs/dbraw/zinc/34/08/72/1063340872.db2.gz LSGDMCOGFSOWDS-QZTJIDSGSA-N 1 0 487.649 2.867 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001295374005 1063342518 /nfs/dbraw/zinc/34/25/18/1063342518.db2.gz VAVREDIZXVWJLW-YPAWHYETSA-N 1 0 484.693 2.820 20 0 JFADRO CCn1cc(CN(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](CC)CC)cn1 ZINC001295374707 1063343591 /nfs/dbraw/zinc/34/35/91/1063343591.db2.gz YDNZBZVBHGUPEL-SFHVURJKSA-N 1 0 477.617 2.775 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295374552 1063343636 /nfs/dbraw/zinc/34/36/36/1063343636.db2.gz XINCAZMGGWYYLZ-YUXAGFNASA-N 1 0 497.644 2.816 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001295374660 1063343744 /nfs/dbraw/zinc/34/37/44/1063343744.db2.gz XXNXJXRSKWFVBD-LJQANCHMSA-N 1 0 454.623 2.694 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295376087 1063344740 /nfs/dbraw/zinc/34/47/40/1063344740.db2.gz JCBKMSGHAATPEN-VAMGGRTRSA-N 1 0 480.654 2.980 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001295376167 1063344808 /nfs/dbraw/zinc/34/48/08/1063344808.db2.gz KAYYPIHKBAYUKS-OXJNMPFZSA-N 1 0 461.561 2.564 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCOCC1CCOCC1 ZINC001291197863 1063345858 /nfs/dbraw/zinc/34/58/58/1063345858.db2.gz LDPIFUPMSXEQDL-HXUWFJFHSA-N 1 0 476.666 2.560 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001295378515 1063348072 /nfs/dbraw/zinc/34/80/72/1063348072.db2.gz GBJSFNXKSFJZIO-UGKGYDQZSA-N 1 0 472.609 2.566 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291198421 1063348598 /nfs/dbraw/zinc/34/85/98/1063348598.db2.gz WUXDNVODEFTJKY-LJQANCHMSA-N 1 0 498.632 2.857 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001295378711 1063349192 /nfs/dbraw/zinc/34/91/92/1063349192.db2.gz JAYPHZVKWIFUDX-MZKRTTBSSA-N 1 0 458.626 2.895 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291198581 1063349737 /nfs/dbraw/zinc/34/97/37/1063349737.db2.gz YXWRUOBJRCDTIS-RBUKOAKNSA-N 1 0 498.632 2.761 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001295379229 1063350324 /nfs/dbraw/zinc/35/03/24/1063350324.db2.gz LKYQJQMXRGPPJL-NXHRZFHOSA-N 1 0 459.607 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 ZINC001295379248 1063350497 /nfs/dbraw/zinc/35/04/97/1063350497.db2.gz LPGUTBVHKKJZIO-AABGKKOBSA-N 1 0 480.654 2.790 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379516 1063351071 /nfs/dbraw/zinc/35/10/71/1063351071.db2.gz MJYBHCFMUOYBRW-MOPGFXCFSA-N 1 0 467.680 2.839 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379474 1063351111 /nfs/dbraw/zinc/35/11/11/1063351111.db2.gz LZWQTRPTBNEMLS-LEWJYISDSA-N 1 0 474.675 2.546 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001295379874 1063351819 /nfs/dbraw/zinc/35/18/19/1063351819.db2.gz NHOQZEWUIYSBOX-HKUYNNGSSA-N 1 0 458.607 2.813 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380022 1063352535 /nfs/dbraw/zinc/35/25/35/1063352535.db2.gz OFWPWKOPPVKTMQ-MSOLQXFVSA-N 1 0 496.628 2.515 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001291199473 1063353630 /nfs/dbraw/zinc/35/36/30/1063353630.db2.gz OBIPDCYMEUIIIC-ROUUACIJSA-N 1 0 461.010 2.961 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295382213 1063355496 /nfs/dbraw/zinc/35/54/96/1063355496.db2.gz ZGHPKEGILLSYAO-JKSUJKDBSA-N 1 0 455.575 2.501 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@H]1N1CCOCC1 ZINC001291201450 1063357354 /nfs/dbraw/zinc/35/73/54/1063357354.db2.gz WACUAWXJKMOWHF-DOTOQJQBSA-N 1 0 450.534 2.777 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1N1CCOCC1 ZINC001291201452 1063357398 /nfs/dbraw/zinc/35/73/98/1063357398.db2.gz WACUAWXJKMOWHF-RDJZCZTQSA-N 1 0 450.534 2.777 20 0 JFADRO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383930 1063357677 /nfs/dbraw/zinc/35/76/77/1063357677.db2.gz FYDRBFZTINAPJT-SESVDKBCSA-N 1 0 458.603 2.654 20 0 JFADRO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383928 1063357735 /nfs/dbraw/zinc/35/77/35/1063357735.db2.gz FYDRBFZTINAPJT-CEWLAPEOSA-N 1 0 458.603 2.654 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001295384021 1063357816 /nfs/dbraw/zinc/35/78/16/1063357816.db2.gz DSDRGYBKJNQSBV-LEWJYISDSA-N 1 0 452.607 2.923 20 0 JFADRO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c12 ZINC001295384273 1063359023 /nfs/dbraw/zinc/35/90/23/1063359023.db2.gz ISLDQWYUGREPPC-HXUWFJFHSA-N 1 0 454.619 2.997 20 0 JFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2[nH]c3ccc(Br)cc3c2Cl)CC1 ZINC001295384269 1063359093 /nfs/dbraw/zinc/35/90/93/1063359093.db2.gz IQNNGHBOYSFFGP-OAHLLOKOSA-N 1 0 453.768 2.962 20 0 JFADRO COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2)c(OC)c1 ZINC001295384670 1063359824 /nfs/dbraw/zinc/35/98/24/1063359824.db2.gz LWOVOTBXJYEQKL-JOCHJYFZSA-N 1 0 452.555 2.826 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001295385260 1063360810 /nfs/dbraw/zinc/36/08/10/1063360810.db2.gz KOSVULCFKIFVQT-GOSISDBHSA-N 1 0 456.561 2.554 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001295386148 1063361801 /nfs/dbraw/zinc/36/18/01/1063361801.db2.gz RDLGOODFVBQSFF-NRFANRHFSA-N 1 0 466.634 2.902 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001291205048 1063362220 /nfs/dbraw/zinc/36/22/20/1063362220.db2.gz DDCSXUBYZSJEAN-RBUKOAKNSA-N 1 0 492.715 2.864 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001295389620 1063366447 /nfs/dbraw/zinc/36/64/47/1063366447.db2.gz FDEVFAIJEKLTID-DENIHFKCSA-N 1 0 488.608 2.554 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001295389622 1063367175 /nfs/dbraw/zinc/36/71/75/1063367175.db2.gz FDEVFAIJEKLTID-SIKLNZKXSA-N 1 0 488.608 2.554 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295389660 1063367293 /nfs/dbraw/zinc/36/72/93/1063367293.db2.gz FSPXVVADAQPJNR-KRWDZBQOSA-N 1 0 467.611 2.740 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001295389777 1063367799 /nfs/dbraw/zinc/36/77/99/1063367799.db2.gz MLBFEKHZJOVOHN-XZOQPEGZSA-N 1 0 496.704 2.517 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206457 1063368719 /nfs/dbraw/zinc/36/87/19/1063368719.db2.gz WWUYSIXGHIGSCJ-ROUUACIJSA-N 1 0 496.628 2.991 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001295390136 1063368923 /nfs/dbraw/zinc/36/89/23/1063368923.db2.gz PWWUKOIISQQBES-IBGZPJMESA-N 1 0 494.619 2.559 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295390225 1063369584 /nfs/dbraw/zinc/36/95/84/1063369584.db2.gz LUGMMOWIAVOFTK-UGKGYDQZSA-N 1 0 486.661 2.836 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001291206525 1063369525 /nfs/dbraw/zinc/36/95/25/1063369525.db2.gz XWVFWKTXJPALDQ-OTWHNJEPSA-N 1 0 454.685 2.881 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390772 1063370860 /nfs/dbraw/zinc/37/08/60/1063370860.db2.gz AKPQZMUKOTXYGQ-AEFFLSMTSA-N 1 0 484.692 2.648 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(OC)C1)c1ccco1 ZINC001295390789 1063371610 /nfs/dbraw/zinc/37/16/10/1063371610.db2.gz AQXGZHZEIMRRGX-QGZVFWFLSA-N 1 0 453.547 2.827 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccco1 ZINC001295390977 1063372256 /nfs/dbraw/zinc/37/22/56/1063372256.db2.gz CKSZABZSPSVVRG-QGZVFWFLSA-N 1 0 457.579 2.598 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391019 1063373097 /nfs/dbraw/zinc/37/30/97/1063373097.db2.gz DALBWNPLEOWUNW-WBVHZDCISA-N 1 0 472.706 2.586 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC001295391000 1063373137 /nfs/dbraw/zinc/37/31/37/1063373137.db2.gz CTTSUDBODMCLBG-JOCHJYFZSA-N 1 0 491.644 2.616 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 ZINC001295391058 1063373724 /nfs/dbraw/zinc/37/37/24/1063373724.db2.gz DKLAGKVZIBLQSB-DEOSSOPVSA-N 1 0 495.672 2.950 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001295391136 1063373784 /nfs/dbraw/zinc/37/37/84/1063373784.db2.gz VKBZAFBBHPKNBO-IBGZPJMESA-N 1 0 470.618 2.703 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295391641 1063374924 /nfs/dbraw/zinc/37/49/24/1063374924.db2.gz GOZRYVFIHDENRI-FQEVSTJZSA-N 1 0 487.649 2.787 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCC(F)(F)F ZINC001291207698 1063376086 /nfs/dbraw/zinc/37/60/86/1063376086.db2.gz NTWDYPZWYMUZRL-HUUCEWRRSA-N 1 0 466.574 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001295392020 1063376423 /nfs/dbraw/zinc/37/64/23/1063376423.db2.gz XKXVMPJJKSAOKJ-LJQANCHMSA-N 1 0 452.582 2.855 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)C(C)C ZINC001291208180 1063378042 /nfs/dbraw/zinc/37/80/42/1063378042.db2.gz ULMKROOZAIFKKF-FGTMMUONSA-N 1 0 460.714 2.727 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 ZINC001295393240 1063378634 /nfs/dbraw/zinc/37/86/34/1063378634.db2.gz PHJSCZGYQUYLBR-QFIPXVFZSA-N 1 0 483.661 2.658 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295394408 1063380721 /nfs/dbraw/zinc/38/07/21/1063380721.db2.gz YZEDFRZLOBQIJL-OAQYLSRUSA-N 1 0 485.633 2.637 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1)c1ccco1 ZINC001295398014 1063384902 /nfs/dbraw/zinc/38/49/02/1063384902.db2.gz AHYVPKXBUJCCAY-HXUWFJFHSA-N 1 0 466.590 2.764 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291209811 1063385276 /nfs/dbraw/zinc/38/52/76/1063385276.db2.gz RNEQDUMCOLKGKF-SVFBPWRDSA-N 1 0 488.608 2.725 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 ZINC001295398086 1063385550 /nfs/dbraw/zinc/38/55/50/1063385550.db2.gz BFFSWNIKJMZYQI-HSZRJFAPSA-N 1 0 477.613 2.718 20 0 JFADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291209863 1063386045 /nfs/dbraw/zinc/38/60/45/1063386045.db2.gz SHLDRGZQPQNZKK-UWVAXJGDSA-N 1 0 477.451 2.815 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001295402303 1063387428 /nfs/dbraw/zinc/38/74/28/1063387428.db2.gz AJECTOZPTSQMFN-PKTZIBPZSA-N 1 0 478.645 2.925 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccccc1 ZINC001295402499 1063387615 /nfs/dbraw/zinc/38/76/15/1063387615.db2.gz TXMYDEHZJSHYPV-OAQYLSRUSA-N 1 0 460.648 2.757 20 0 JFADRO COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC001295404086 1063389568 /nfs/dbraw/zinc/38/95/68/1063389568.db2.gz QKUQOMPPDXCJFK-VWLOTQADSA-N 1 0 456.587 2.577 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210879 1063390906 /nfs/dbraw/zinc/39/09/06/1063390906.db2.gz KBELEELJWDDSMR-HOCLYGCPSA-N 1 0 469.453 2.824 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001291210912 1063391503 /nfs/dbraw/zinc/39/15/03/1063391503.db2.gz KRJBRRZQTAJYIT-MRXNPFEDSA-N 1 0 481.439 2.886 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404976 1063391791 /nfs/dbraw/zinc/39/17/91/1063391791.db2.gz FFUWPQMNOWFSNX-RTWAWAEBSA-N 1 0 458.607 2.811 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 ZINC001295405090 1063392461 /nfs/dbraw/zinc/39/24/61/1063392461.db2.gz PAVKKJRMPNYXMI-FCHUYYIVSA-N 1 0 482.654 2.965 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001291211699 1063396330 /nfs/dbraw/zinc/39/63/30/1063396330.db2.gz ZIRCDOPLLUIHFB-UGSOOPFHSA-N 1 0 455.426 2.698 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC001295407641 1063399246 /nfs/dbraw/zinc/39/92/46/1063399246.db2.gz XGRRHPHVPREBJZ-ILWGZMRPSA-N 1 0 454.619 2.922 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)C[C@@H]1C ZINC001291213344 1063404347 /nfs/dbraw/zinc/40/43/47/1063404347.db2.gz DGTBXAPOJWLTLP-OALUTQOASA-N 1 0 460.648 2.774 20 0 JFADRO C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(OC(F)F)c3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291213545 1063407454 /nfs/dbraw/zinc/40/74/54/1063407454.db2.gz HHWZBROJHWITPV-NXMSCROESA-N 1 0 495.571 2.897 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291215772 1063430546 /nfs/dbraw/zinc/43/05/46/1063430546.db2.gz VNKJIZCNAQXBSU-RTBURBONSA-N 1 0 461.632 2.694 20 0 JFADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)CC2)cc1 ZINC001295425279 1063438906 /nfs/dbraw/zinc/43/89/06/1063438906.db2.gz VJSXVHHTUPWGLS-UHFFFAOYSA-N 1 0 456.568 2.836 20 0 JFADRO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001295426831 1063439628 /nfs/dbraw/zinc/43/96/28/1063439628.db2.gz FMVBYCZTJVKUEQ-IBGZPJMESA-N 1 0 477.679 2.750 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001291222795 1063460115 /nfs/dbraw/zinc/46/01/15/1063460115.db2.gz UINWGMXEJXQYCW-UGSOOPFHSA-N 1 0 479.398 2.854 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2CC[NH+]2CCCC2)CC(=O)N1C ZINC001291222930 1063460728 /nfs/dbraw/zinc/46/07/28/1063460728.db2.gz XAKDKQBKBLLTDU-AWEZNQCLSA-N 1 0 465.371 2.609 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)CC1 ZINC001295462163 1063461536 /nfs/dbraw/zinc/46/15/36/1063461536.db2.gz AFFLENYDZRFYPA-OAHLLOKOSA-N 1 0 470.590 2.525 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001295462690 1063462725 /nfs/dbraw/zinc/46/27/25/1063462725.db2.gz GPEFWXKZRRLDRR-UHFFFAOYSA-N 1 0 479.670 2.984 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001295463353 1063463850 /nfs/dbraw/zinc/46/38/50/1063463850.db2.gz LEVLBBONZANPOQ-UHFFFAOYSA-N 1 0 484.649 2.869 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccsc2)CC1 ZINC001295463964 1063464768 /nfs/dbraw/zinc/46/47/68/1063464768.db2.gz VKVROJAMUCAYAW-INIZCTEOSA-N 1 0 454.666 2.503 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)CC1 ZINC001295463891 1063464802 /nfs/dbraw/zinc/46/48/02/1063464802.db2.gz SPOPAVQMNHNXQA-UHFFFAOYSA-N 1 0 452.607 2.731 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccsc2)CC1 ZINC001295463965 1063465858 /nfs/dbraw/zinc/46/58/58/1063465858.db2.gz VKVROJAMUCAYAW-MRXNPFEDSA-N 1 0 454.666 2.503 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001295464990 1063468499 /nfs/dbraw/zinc/46/84/99/1063468499.db2.gz HJLTUZMYTSZDFZ-OAQYLSRUSA-N 1 0 490.674 2.688 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC)CC1 ZINC001295464751 1063468507 /nfs/dbraw/zinc/46/85/07/1063468507.db2.gz GAAZNVREVLHXTA-UHFFFAOYSA-N 1 0 450.534 2.993 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001295465053 1063469067 /nfs/dbraw/zinc/46/90/67/1063469067.db2.gz JNZVSYDYANWGQF-UHFFFAOYSA-N 1 0 470.618 2.513 20 0 JFADRO CCn1nc(-c2nnc(N3CCC([NH+](CC)CC)CC3)n2CC(C)(C)O)c2ccccc2c1=O ZINC001295471800 1063475809 /nfs/dbraw/zinc/47/58/09/1063475809.db2.gz MGHQDICQHVEEDD-UHFFFAOYSA-N 1 0 467.618 2.756 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001295470616 1063475842 /nfs/dbraw/zinc/47/58/42/1063475842.db2.gz FSEJTRHXAXBXRP-UHFFFAOYSA-N 1 0 472.638 2.856 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)CC1 ZINC001295473834 1063479458 /nfs/dbraw/zinc/47/94/58/1063479458.db2.gz VLKPBDQKIDPPAS-GOSISDBHSA-N 1 0 480.704 2.807 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)CC1 ZINC001295473992 1063480421 /nfs/dbraw/zinc/48/04/21/1063480421.db2.gz XPCGOUWEINDIJW-QGZVFWFLSA-N 1 0 451.662 2.909 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCOCC2)CC1 ZINC001295474706 1063481112 /nfs/dbraw/zinc/48/11/12/1063481112.db2.gz DUEABJXVTBSOGC-UHFFFAOYSA-N 1 0 457.619 2.752 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)Nc2ccccc2)CC1 ZINC001295475393 1063484681 /nfs/dbraw/zinc/48/46/81/1063484681.db2.gz UTEUVDZFABKPEX-UHFFFAOYSA-N 1 0 467.618 2.740 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 ZINC001295475264 1063484770 /nfs/dbraw/zinc/48/47/70/1063484770.db2.gz QKBVJWKRYWVBBG-VWLOTQADSA-N 1 0 473.618 2.982 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291232165 1063489206 /nfs/dbraw/zinc/48/92/06/1063489206.db2.gz ICRAEGUNPGSHSL-SFHVURJKSA-N 1 0 460.648 2.864 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC2(C)COC2)CC1 ZINC001295480497 1063490248 /nfs/dbraw/zinc/49/02/48/1063490248.db2.gz MLZVLSJTUGZAEF-LJQANCHMSA-N 1 0 488.608 2.584 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2C[C@H]2C)CC1 ZINC001295480371 1063490478 /nfs/dbraw/zinc/49/04/78/1063490478.db2.gz LKPCJVYZJKNAPZ-SJORKVTESA-N 1 0 492.466 2.693 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCC[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001291233328 1063493803 /nfs/dbraw/zinc/49/38/03/1063493803.db2.gz BHCWNRGILMPTOJ-IBGZPJMESA-N 1 0 473.622 2.831 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCc2nccnc2C)CC1 ZINC001295482130 1063495772 /nfs/dbraw/zinc/49/57/72/1063495772.db2.gz DRHHKCKFFXUOHL-UHFFFAOYSA-N 1 0 497.047 2.930 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC001291234681 1063496850 /nfs/dbraw/zinc/49/68/50/1063496850.db2.gz AAQADOADYCBTIE-RTBURBONSA-N 1 0 453.591 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H](C)OC)CC1 ZINC001295482439 1063501491 /nfs/dbraw/zinc/50/14/91/1063501491.db2.gz OFGOXOMZILBHCW-KRWDZBQOSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H](C)OC)CC1 ZINC001295482440 1063501642 /nfs/dbraw/zinc/50/16/42/1063501642.db2.gz OFGOXOMZILBHCW-QGZVFWFLSA-N 1 0 493.450 2.733 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291238124 1063505179 /nfs/dbraw/zinc/50/51/79/1063505179.db2.gz KBUDGMAPXCVHGU-FUHWJXTLSA-N 1 0 489.621 2.695 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291238123 1063505284 /nfs/dbraw/zinc/50/52/84/1063505284.db2.gz KBUDGMAPXCVHGU-AEFFLSMTSA-N 1 0 489.621 2.695 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)c2nc(C)cs2)CC1 ZINC001295482738 1063505746 /nfs/dbraw/zinc/50/57/46/1063505746.db2.gz YYQMSPCFCDGFCV-GOSISDBHSA-N 1 0 484.674 2.843 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cccc(F)c2)CC1 ZINC001295483170 1063506993 /nfs/dbraw/zinc/50/69/93/1063506993.db2.gz CLMSEVFGPJPDPZ-JOCHJYFZSA-N 1 0 486.636 2.934 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(C)C)CC1 ZINC001295483407 1063507096 /nfs/dbraw/zinc/50/70/96/1063507096.db2.gz DTJZSKNLIGMXNB-UHFFFAOYSA-N 1 0 487.649 2.678 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295483777 1063508358 /nfs/dbraw/zinc/50/83/58/1063508358.db2.gz HJECACIACFLCSZ-KCWPFWIISA-N 1 0 498.672 2.808 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCc2c(C)cccc2C)CC1 ZINC001295483855 1063509149 /nfs/dbraw/zinc/50/91/49/1063509149.db2.gz JNQCYMOVUUJEES-JOCHJYFZSA-N 1 0 468.646 2.632 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccccc2OC(F)F)CC1 ZINC001295484392 1063510713 /nfs/dbraw/zinc/51/07/13/1063510713.db2.gz NCDRGWVCDNBPKT-UHFFFAOYSA-N 1 0 462.545 2.796 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@@H+](C2CCC2)C1 ZINC001291240861 1063510866 /nfs/dbraw/zinc/51/08/66/1063510866.db2.gz GYGPQMWEELCWBF-TZMCWYRMSA-N 1 0 461.355 2.528 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(CSC)cc2)CC1 ZINC001295484724 1063512485 /nfs/dbraw/zinc/51/24/85/1063512485.db2.gz QQWRQBGCFFVUDJ-UHFFFAOYSA-N 1 0 494.669 2.637 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241743 1063513361 /nfs/dbraw/zinc/51/33/61/1063513361.db2.gz SHCUVFALGMTVIY-OTWHNJEPSA-N 1 0 477.654 2.558 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccc(F)cc2)CC1 ZINC001295485390 1063513741 /nfs/dbraw/zinc/51/37/41/1063513741.db2.gz VTGNBXPRUDMVRS-UHFFFAOYSA-N 1 0 453.566 2.645 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295485528 1063514451 /nfs/dbraw/zinc/51/44/51/1063514451.db2.gz XQTKZEIOPPRQFZ-QHCPKHFHSA-N 1 0 493.660 2.504 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001295487339 1063515701 /nfs/dbraw/zinc/51/57/01/1063515701.db2.gz JZJTXLMLQKKYCV-NRFANRHFSA-N 1 0 488.702 2.769 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001295487459 1063516082 /nfs/dbraw/zinc/51/60/82/1063516082.db2.gz LGVGDWYINIBYPO-UHFFFAOYSA-N 1 0 477.613 2.730 20 0 JFADRO C[C@H]1CN(c2nnc(C3CCC3)n2CC2CC[NH+](CCN(C)C)CC2)CCN1CC(F)(F)F ZINC001291242372 1063516227 /nfs/dbraw/zinc/51/62/27/1063516227.db2.gz ALQLESXLSCZSHX-SFHVURJKSA-N 1 0 471.616 2.892 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2cc(C)oc2C)CC1 ZINC001295490590 1063517049 /nfs/dbraw/zinc/51/70/49/1063517049.db2.gz AHZIENSOLQAYAF-VWLOTQADSA-N 1 0 474.650 2.585 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C)nc2)CC1 ZINC001295490621 1063517105 /nfs/dbraw/zinc/51/71/05/1063517105.db2.gz BEWUJXQFQUOSFV-UHFFFAOYSA-N 1 0 475.641 2.919 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@](C)(O)C(C)C)CC1 ZINC001295491049 1063521187 /nfs/dbraw/zinc/52/11/87/1063521187.db2.gz NXUDXMHDQBNCSJ-MHZLTWQESA-N 1 0 495.672 2.679 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295491169 1063521706 /nfs/dbraw/zinc/52/17/06/1063521706.db2.gz QEDKEPPWAZICNU-QFIPXVFZSA-N 1 0 486.636 2.814 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)s2)CC1 ZINC001295491525 1063522377 /nfs/dbraw/zinc/52/23/77/1063522377.db2.gz SSVRJLSUMNYFMU-UHFFFAOYSA-N 1 0 467.643 2.673 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC=CO2)CC1 ZINC001295491335 1063522439 /nfs/dbraw/zinc/52/24/39/1063522439.db2.gz SMSVWDLVKQUZTA-FQEVSTJZSA-N 1 0 486.592 2.679 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291248370 1063522421 /nfs/dbraw/zinc/52/24/21/1063522421.db2.gz PLOQGTPQRAWGGU-ZVVFGRKBSA-N 1 0 462.639 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CSCCS2)CC1 ZINC001295491843 1063524464 /nfs/dbraw/zinc/52/44/64/1063524464.db2.gz XCLPKHAOFQEISM-GOSISDBHSA-N 1 0 468.737 2.706 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001295491885 1063524825 /nfs/dbraw/zinc/52/48/25/1063524825.db2.gz YMCBDBMMXICVLD-RTWAWAEBSA-N 1 0 454.619 2.812 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(C)C)C2)cc1 ZINC001295492282 1063525278 /nfs/dbraw/zinc/52/52/78/1063525278.db2.gz ALMFUVSCVXTOLD-FGZHOGPDSA-N 1 0 454.619 2.981 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 ZINC001295492444 1063525727 /nfs/dbraw/zinc/52/57/27/1063525727.db2.gz BMAQPTYCFHEAEL-FCHUYYIVSA-N 1 0 454.619 2.635 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)c1 ZINC001295493509 1063527863 /nfs/dbraw/zinc/52/78/63/1063527863.db2.gz QIQFMUXAAHIQSO-UHFFFAOYSA-N 1 0 462.664 2.727 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccc(C)cc2C)CC1 ZINC001295494531 1063529316 /nfs/dbraw/zinc/52/93/16/1063529316.db2.gz QLKXQHXHNWXLTN-HSZRJFAPSA-N 1 0 468.646 2.980 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001295494664 1063529991 /nfs/dbraw/zinc/52/99/91/1063529991.db2.gz RZFVOLIMRARGPB-OFNKIYASSA-N 1 0 495.672 2.812 20 0 JFADRO Cc1cc(C(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC001295497800 1063532367 /nfs/dbraw/zinc/53/23/67/1063532367.db2.gz QVMCWTGQWYTFSS-UHFFFAOYSA-N 1 0 453.370 2.787 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291252363 1063534272 /nfs/dbraw/zinc/53/42/72/1063534272.db2.gz SCGRFFBMBUNWKY-RTBURBONSA-N 1 0 462.639 2.960 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c1 ZINC001295500597 1063534386 /nfs/dbraw/zinc/53/43/86/1063534386.db2.gz OROAGMBXCFTCSL-LEWJYISDSA-N 1 0 461.632 2.643 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N(C)C[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001295500651 1063534431 /nfs/dbraw/zinc/53/44/31/1063534431.db2.gz QBIMPMASTKPIJX-ZBLYBZFDSA-N 1 0 498.672 2.876 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC001295500951 1063534836 /nfs/dbraw/zinc/53/48/36/1063534836.db2.gz UMXWGGFMYUJTJR-HSZRJFAPSA-N 1 0 468.646 2.977 20 0 JFADRO CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C[NH+](CC)CC)c2)C[C@H]1C ZINC001295501308 1063535414 /nfs/dbraw/zinc/53/54/14/1063535414.db2.gz XHYZBXSTYKKDJC-NFBKMPQASA-N 1 0 488.702 2.601 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001295502835 1063537129 /nfs/dbraw/zinc/53/71/29/1063537129.db2.gz ICIOCWQTGZTQGT-UHFFFAOYSA-N 1 0 474.675 2.906 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001295502449 1063537146 /nfs/dbraw/zinc/53/71/46/1063537146.db2.gz GFMIZTUEIYNYJX-HXUWFJFHSA-N 1 0 461.614 2.821 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291254163 1063538916 /nfs/dbraw/zinc/53/89/16/1063538916.db2.gz QNVDXHFNXFAPQV-SQNIBIBYSA-N 1 0 493.596 2.602 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001291254160 1063538961 /nfs/dbraw/zinc/53/89/61/1063538961.db2.gz QNVDXHFNXFAPQV-FGTMMUONSA-N 1 0 493.596 2.602 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 ZINC001295503845 1063539539 /nfs/dbraw/zinc/53/95/39/1063539539.db2.gz PKDUTEYLEYMOIQ-FGZHOGPDSA-N 1 0 475.659 2.686 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC2)C1 ZINC001295509306 1063544186 /nfs/dbraw/zinc/54/41/86/1063544186.db2.gz UNLYCVKHIBBMDK-IBGZPJMESA-N 1 0 460.648 2.774 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)C1 ZINC001295509339 1063544211 /nfs/dbraw/zinc/54/42/11/1063544211.db2.gz UZUMTVARCZHIMB-HNNXBMFYSA-N 1 0 461.412 2.986 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001295511521 1063546394 /nfs/dbraw/zinc/54/63/94/1063546394.db2.gz KQIGTQBFBFANDS-NRFANRHFSA-N 1 0 488.080 2.931 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(C)(=O)=O)C1 ZINC001295512206 1063547390 /nfs/dbraw/zinc/54/73/90/1063547390.db2.gz RMRMUCQDKODPFB-MRXNPFEDSA-N 1 0 484.464 2.920 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001295512892 1063547475 /nfs/dbraw/zinc/54/74/75/1063547475.db2.gz BUNMMDSKQYJHEE-GBXCKJPGSA-N 1 0 453.624 2.800 20 0 JFADRO CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC001295513921 1063547872 /nfs/dbraw/zinc/54/78/72/1063547872.db2.gz KOPCJNAJRUGCOD-UHFFFAOYSA-N 1 0 451.633 2.728 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001295514583 1063548574 /nfs/dbraw/zinc/54/85/74/1063548574.db2.gz AZGRTVGKRVKIOW-RBUKOAKNSA-N 1 0 471.593 2.781 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001295514542 1063548604 /nfs/dbraw/zinc/54/86/04/1063548604.db2.gz AEOZDEDCQKVKAI-WOJBJXKFSA-N 1 0 460.648 2.784 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001295514584 1063549034 /nfs/dbraw/zinc/54/90/34/1063549034.db2.gz AZGRTVGKRVKIOW-RTBURBONSA-N 1 0 471.593 2.781 20 0 JFADRO CC(C)NS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001291258454 1063550872 /nfs/dbraw/zinc/55/08/72/1063550872.db2.gz BQGUSVFYXVEYQE-GOSISDBHSA-N 1 0 454.685 2.505 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(Br)cn2)C1 ZINC001295516201 1063551980 /nfs/dbraw/zinc/55/19/80/1063551980.db2.gz GKUSIFBEGVHAMM-DLBZAZTESA-N 1 0 466.428 2.609 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)C1 ZINC001295517870 1063554348 /nfs/dbraw/zinc/55/43/48/1063554348.db2.gz NDADTMQNBANCRJ-QZTJIDSGSA-N 1 0 451.662 2.767 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 ZINC001295521038 1063556805 /nfs/dbraw/zinc/55/68/05/1063556805.db2.gz WSYIHOBYHZMZFX-RLSLOFABSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001295520828 1063557356 /nfs/dbraw/zinc/55/73/56/1063557356.db2.gz VVSBWGAKMAINEV-UZLBHIALSA-N 1 0 462.545 2.755 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 ZINC001295521056 1063558205 /nfs/dbraw/zinc/55/82/05/1063558205.db2.gz XFVLBHZFBQQCIM-WCHWRFHJSA-N 1 0 496.722 2.776 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001295521479 1063558598 /nfs/dbraw/zinc/55/85/98/1063558598.db2.gz ZLAYJCQDRLLDHM-FCHUYYIVSA-N 1 0 454.619 2.609 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OC)C1 ZINC001295521832 1063559115 /nfs/dbraw/zinc/55/91/15/1063559115.db2.gz GYRGGELYNRPEPM-HXUWFJFHSA-N 1 0 452.607 2.760 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001295523011 1063559646 /nfs/dbraw/zinc/55/96/46/1063559646.db2.gz OOORGAQOMUPZPC-NRFANRHFSA-N 1 0 481.645 2.735 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001295524069 1063561802 /nfs/dbraw/zinc/56/18/02/1063561802.db2.gz DGIZDTGMQPGOQQ-IBGZPJMESA-N 1 0 453.547 2.828 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001295524378 1063562065 /nfs/dbraw/zinc/56/20/65/1063562065.db2.gz JJQDZUDYNGUNBN-HXUWFJFHSA-N 1 0 455.607 2.910 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295524283 1063562145 /nfs/dbraw/zinc/56/21/45/1063562145.db2.gz HIRDYXBGXHVLQT-SFHVURJKSA-N 1 0 465.643 2.594 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001295524889 1063563014 /nfs/dbraw/zinc/56/30/14/1063563014.db2.gz QADSOQUFVSXTAI-WOJBJXKFSA-N 1 0 470.574 2.993 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001295525384 1063563568 /nfs/dbraw/zinc/56/35/68/1063563568.db2.gz VTJAVWIKMRQZBK-KRWDZBQOSA-N 1 0 482.555 2.730 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295525465 1063564060 /nfs/dbraw/zinc/56/40/60/1063564060.db2.gz XIBYJPCUZBMEJE-ICSRJNTNSA-N 1 0 473.597 2.845 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295527219 1063564596 /nfs/dbraw/zinc/56/45/96/1063564596.db2.gz GZIZKRITJRMKGR-IBGZPJMESA-N 1 0 463.026 2.860 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295528091 1063565864 /nfs/dbraw/zinc/56/58/64/1063565864.db2.gz PNDNIIFGZYYURE-HSZRJFAPSA-N 1 0 461.632 2.701 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295528761 1063566324 /nfs/dbraw/zinc/56/63/24/1063566324.db2.gz UVLSNHYSDZSPJI-KDURUIRLSA-N 1 0 478.663 2.541 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(C)(C)C[NH+](C)C)CCN1CC(F)(F)F ZINC001291265970 1063567635 /nfs/dbraw/zinc/56/76/35/1063567635.db2.gz FHFQBKCXPUPOBU-KRWDZBQOSA-N 1 0 453.557 2.925 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCCN(c2nc(C)ns2)CC1 ZINC001295533388 1063570085 /nfs/dbraw/zinc/57/00/85/1063570085.db2.gz SXIVQQCLWGGNJL-UHFFFAOYSA-N 1 0 455.636 2.949 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001295535060 1063571951 /nfs/dbraw/zinc/57/19/51/1063571951.db2.gz SGRQQQJRQFWVIW-JOCHJYFZSA-N 1 0 468.646 2.844 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001295535084 1063572065 /nfs/dbraw/zinc/57/20/65/1063572065.db2.gz SSCFTYJNDNNGCA-GHTZIAJQSA-N 1 0 467.618 2.785 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001295535087 1063572537 /nfs/dbraw/zinc/57/25/37/1063572537.db2.gz SSCFTYJNDNNGCA-WIYYLYMNSA-N 1 0 467.618 2.785 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295538066 1063573655 /nfs/dbraw/zinc/57/36/55/1063573655.db2.gz ATBDQUDENLGZNS-UHFFFAOYSA-N 1 0 457.623 2.667 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001295542925 1063577469 /nfs/dbraw/zinc/57/74/69/1063577469.db2.gz DBXODISVFQGNCX-QGZVFWFLSA-N 1 0 460.545 2.756 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001295543075 1063578116 /nfs/dbraw/zinc/57/81/16/1063578116.db2.gz WFXNPVILQDZYFE-RBUKOAKNSA-N 1 0 493.678 2.803 20 0 JFADRO C[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CC(C)(C)C1 ZINC001291274483 1063579977 /nfs/dbraw/zinc/57/99/77/1063579977.db2.gz AYZCQSUAJYKQMD-OAQYLSRUSA-N 1 0 467.662 2.603 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001295545632 1063580912 /nfs/dbraw/zinc/58/09/12/1063580912.db2.gz UKYDGVCFYQXDDE-OAQYLSRUSA-N 1 0 490.674 2.681 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001295550420 1063583221 /nfs/dbraw/zinc/58/32/21/1063583221.db2.gz GDZAHVGFCOCATH-FUHIMQAGSA-N 1 0 464.636 2.666 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001295550483 1063583324 /nfs/dbraw/zinc/58/33/24/1063583324.db2.gz JACNJGIVXOUUIX-MJGOQNOKSA-N 1 0 490.052 2.554 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001295551197 1063584180 /nfs/dbraw/zinc/58/41/80/1063584180.db2.gz QRBALVRGSKFJOE-UXHICEINSA-N 1 0 475.682 2.623 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001295551742 1063584738 /nfs/dbraw/zinc/58/47/38/1063584738.db2.gz VBKHJNGGHBCJRH-ZIFCJYIRSA-N 1 0 466.627 2.752 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC001295552153 1063585162 /nfs/dbraw/zinc/58/51/62/1063585162.db2.gz XKSTWQLCGDFFIT-FSZRXZPDSA-N 1 0 481.494 2.639 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001295552227 1063585520 /nfs/dbraw/zinc/58/55/20/1063585520.db2.gz ZFRHQYYAJVWWCM-GOSISDBHSA-N 1 0 471.606 2.778 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001295552207 1063585581 /nfs/dbraw/zinc/58/55/81/1063585581.db2.gz YLEMCDLKCVGJSO-LJQANCHMSA-N 1 0 499.635 2.913 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+](C)Cc2ccccc2)CC(C)(C)O1 ZINC001291276562 1063586410 /nfs/dbraw/zinc/58/64/10/1063586410.db2.gz OBWHYVDHLVZRFW-FQEVSTJZSA-N 1 0 454.619 2.926 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295554021 1063587517 /nfs/dbraw/zinc/58/75/17/1063587517.db2.gz PVQFBVKZKQCSLN-IAGOWNOFSA-N 1 0 490.450 2.994 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001295554139 1063588040 /nfs/dbraw/zinc/58/80/40/1063588040.db2.gz RHOQIIVHCONSFG-QGZVFWFLSA-N 1 0 469.055 2.801 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001291276971 1063588537 /nfs/dbraw/zinc/58/85/37/1063588537.db2.gz VOKQOWJNXAINOF-SFHVURJKSA-N 1 0 485.599 2.738 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295554445 1063588896 /nfs/dbraw/zinc/58/88/96/1063588896.db2.gz BJBRXXZISPRCOI-QZTJIDSGSA-N 1 0 461.586 2.749 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001295559050 1063591476 /nfs/dbraw/zinc/59/14/76/1063591476.db2.gz AIFYQDJJSUBMLL-UTKZUKDTSA-N 1 0 483.596 2.948 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1 ZINC001295559945 1063593020 /nfs/dbraw/zinc/59/30/20/1063593020.db2.gz OITHHTUUQZONQO-IAGOWNOFSA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001295561234 1063594902 /nfs/dbraw/zinc/59/49/02/1063594902.db2.gz SMBCTSYLZJFQSJ-MSOLQXFVSA-N 1 0 473.647 2.859 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001295563462 1063596475 /nfs/dbraw/zinc/59/64/75/1063596475.db2.gz MESCBIMPIQUHSK-UXHICEINSA-N 1 0 492.665 2.934 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295563493 1063596961 /nfs/dbraw/zinc/59/69/61/1063596961.db2.gz MLSHATXGUQVSRD-DBXWQHBBSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001295564367 1063597857 /nfs/dbraw/zinc/59/78/57/1063597857.db2.gz UVFLNUOTJHBFHN-DBXWQHBBSA-N 1 0 496.653 2.678 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001295566367 1063599856 /nfs/dbraw/zinc/59/98/56/1063599856.db2.gz TUPMCICECGALEO-NVXWUHKLSA-N 1 0 467.039 2.522 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001295566449 1063601073 /nfs/dbraw/zinc/60/10/73/1063601073.db2.gz UNMQYVXYQIZYSG-KNQAVFIVSA-N 1 0 472.682 2.575 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(F)F)CC1 ZINC001295567556 1063602532 /nfs/dbraw/zinc/60/25/32/1063602532.db2.gz ZZZGHQSTSCZOOH-LJQANCHMSA-N 1 0 491.635 2.570 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295571051 1063607505 /nfs/dbraw/zinc/60/75/05/1063607505.db2.gz ZMZOBMKOZILWOC-WOJBJXKFSA-N 1 0 463.648 2.828 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 ZINC001295572352 1063609069 /nfs/dbraw/zinc/60/90/69/1063609069.db2.gz ITLWKFBHKUMUSB-AABGKKOBSA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001295573139 1063611514 /nfs/dbraw/zinc/61/15/14/1063611514.db2.gz SXHNDOQUIHDSHL-GSPCLOLRSA-N 1 0 489.709 2.677 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001295573604 1063612302 /nfs/dbraw/zinc/61/23/02/1063612302.db2.gz YGRBXAFTDCQLEC-AABGKKOBSA-N 1 0 493.722 2.736 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001295593327 1063637336 /nfs/dbraw/zinc/63/73/36/1063637336.db2.gz LHCDYUNLDSNIJK-KRWDZBQOSA-N 1 0 478.638 2.928 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287603 1063640535 /nfs/dbraw/zinc/64/05/35/1063640535.db2.gz FJUOICSKIRWKPX-IPMKNSEASA-N 1 0 480.617 2.535 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)C[C@H](C)O1 ZINC001291287568 1063640617 /nfs/dbraw/zinc/64/06/17/1063640617.db2.gz FAQWMHMTKOZYQJ-LVCYWYKZSA-N 1 0 491.036 2.586 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 ZINC001291287638 1063641400 /nfs/dbraw/zinc/64/14/00/1063641400.db2.gz FXGRXGRSBJOHIO-MJGOQNOKSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287917 1063644301 /nfs/dbraw/zinc/64/43/01/1063644301.db2.gz JXTLPIHQPINQSU-ZSYWTGECSA-N 1 0 491.036 2.882 20 0 JFADRO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccs1 ZINC001291288259 1063647880 /nfs/dbraw/zinc/64/78/80/1063647880.db2.gz PFVAZRAWJLOYKD-IPMKNSEASA-N 1 0 475.663 2.710 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288553 1063650260 /nfs/dbraw/zinc/65/02/60/1063650260.db2.gz UNAVLOOACLVKFE-LMVRJCEZSA-N 1 0 490.674 2.511 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CC(F)C2)C[C@H](C)O1 ZINC001291288576 1063650546 /nfs/dbraw/zinc/65/05/46/1063650546.db2.gz VAKWJDLRAPUYSU-LPOKXYRGSA-N 1 0 459.570 2.609 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCC1 ZINC001295605721 1063652246 /nfs/dbraw/zinc/65/22/46/1063652246.db2.gz RBMHSFDAWVNMKD-LJQANCHMSA-N 1 0 456.591 2.757 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)C2)C[C@@H](C)O1 ZINC001291289122 1063654743 /nfs/dbraw/zinc/65/47/43/1063654743.db2.gz DYPARRGEJOPJEW-HZPDHXFCSA-N 1 0 464.973 2.515 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC001291289434 1063656269 /nfs/dbraw/zinc/65/62/69/1063656269.db2.gz JRSMZKXZPUICNB-KDURUIRLSA-N 1 0 463.586 2.575 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cccn3C)nnc2N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC001291289693 1063657912 /nfs/dbraw/zinc/65/79/12/1063657912.db2.gz OCIZRFZZEFQBTN-OYRHEFFESA-N 1 0 452.603 2.782 20 0 JFADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295608677 1063658758 /nfs/dbraw/zinc/65/87/58/1063658758.db2.gz XYQOQLIALWIUBP-HKUYNNGSSA-N 1 0 492.646 2.518 20 0 JFADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)[NH+](C)C ZINC001295609411 1063659096 /nfs/dbraw/zinc/65/90/96/1063659096.db2.gz MOZCIKWJABEJGI-MRXNPFEDSA-N 1 0 470.599 2.975 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCCO1 ZINC001291289875 1063660592 /nfs/dbraw/zinc/66/05/92/1063660592.db2.gz RHLDPJJMMXFBKN-WMZOPIPTSA-N 1 0 491.434 2.520 20 0 JFADRO C[C@@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290080 1063662247 /nfs/dbraw/zinc/66/22/47/1063662247.db2.gz UTTJBHVAZVEXLQ-RTBURBONSA-N 1 0 483.583 2.857 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)CCCO1 ZINC001291290063 1063662267 /nfs/dbraw/zinc/66/22/67/1063662267.db2.gz URSKOJHYUJTHJS-GOSISDBHSA-N 1 0 484.066 2.970 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291290512 1063664972 /nfs/dbraw/zinc/66/49/72/1063664972.db2.gz ATFJDYCMYUWJGA-JKSBSHDWSA-N 1 0 499.582 2.708 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(CCC(F)(F)F)CC2CC2)C[C@H](C)O1 ZINC001291291050 1063665504 /nfs/dbraw/zinc/66/55/04/1063665504.db2.gz JHWBKNNCFSPCRU-JZXOWHBKSA-N 1 0 472.556 2.897 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291102 1063666499 /nfs/dbraw/zinc/66/64/99/1063666499.db2.gz KFGCGKBIOYZYDQ-BHIFYINESA-N 1 0 478.682 2.566 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(CCC(F)(F)F)CC2CC2)C[C@@H](C)O1 ZINC001291291051 1063666717 /nfs/dbraw/zinc/66/67/17/1063666717.db2.gz JHWBKNNCFSPCRU-NUJGCVRESA-N 1 0 472.556 2.897 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291514 1063670896 /nfs/dbraw/zinc/67/08/96/1063670896.db2.gz QOTDXMYQXBXBQQ-OKZBNKHCSA-N 1 0 453.591 2.626 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291512 1063670935 /nfs/dbraw/zinc/67/09/35/1063670935.db2.gz QOTDXMYQXBXBQQ-KURKYZTESA-N 1 0 453.591 2.626 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291291515 1063671069 /nfs/dbraw/zinc/67/10/69/1063671069.db2.gz QOTDXMYQXBXBQQ-RCCFBDPRSA-N 1 0 453.591 2.626 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291757 1063671944 /nfs/dbraw/zinc/67/19/44/1063671944.db2.gz UFRRBFIYCAFKNQ-QHAWAJNXSA-N 1 0 492.665 2.776 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291292413 1063675791 /nfs/dbraw/zinc/67/57/91/1063675791.db2.gz DBNXBXHMWJXXMH-RTBURBONSA-N 1 0 475.037 2.690 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291292585 1063676890 /nfs/dbraw/zinc/67/68/90/1063676890.db2.gz GOJUDUQQXWMBTA-DNVJHFABSA-N 1 0 497.688 2.752 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3ccccn3)nnc2N(C)CC2COC(C)(C)OC2)C[C@@H](C)O1 ZINC001291292885 1063679177 /nfs/dbraw/zinc/67/91/77/1063679177.db2.gz LBFSGKNJWIZSHI-WOJBJXKFSA-N 1 0 472.634 2.599 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(Cc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291293419 1063684308 /nfs/dbraw/zinc/68/43/08/1063684308.db2.gz UQMVTRCMQWACKZ-OALUTQOASA-N 1 0 474.625 2.858 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295642767 1063685202 /nfs/dbraw/zinc/68/52/02/1063685202.db2.gz UPVXXUGALSJVGI-QUCCMNQESA-N 1 0 496.703 2.573 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CCCO1 ZINC001291293466 1063685210 /nfs/dbraw/zinc/68/52/10/1063685210.db2.gz VIKIMYZKVFCYRE-NRFANRHFSA-N 1 0 497.688 2.793 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291293618 1063685425 /nfs/dbraw/zinc/68/54/25/1063685425.db2.gz XHTVFSGLUVTWJU-HBMCJLEFSA-N 1 0 460.667 2.957 20 0 JFADRO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001295646153 1063687619 /nfs/dbraw/zinc/68/76/19/1063687619.db2.gz BPYKPTYOZQMEGG-OALUTQOASA-N 1 0 460.648 2.988 20 0 JFADRO C[C@H]1C[NH+](CCCn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291294029 1063687935 /nfs/dbraw/zinc/68/79/35/1063687935.db2.gz CZUUMVQFKMPFEA-XYJFISCASA-N 1 0 473.540 2.977 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294648 1063690687 /nfs/dbraw/zinc/69/06/87/1063690687.db2.gz NIYKWZREARBJFE-BBRMVZONSA-N 1 0 483.361 2.762 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(N3CCN(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295051 1063692652 /nfs/dbraw/zinc/69/26/52/1063692652.db2.gz UARQJFSQLANGKE-NRFANRHFSA-N 1 0 475.682 2.804 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295081 1063693469 /nfs/dbraw/zinc/69/34/69/1063693469.db2.gz ULPXQASAWPHIHL-GJZGRUSLSA-N 1 0 485.486 2.515 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2cccnc2)n1CC1(SC)CC[NH+](C)CC1 ZINC001295663592 1063707076 /nfs/dbraw/zinc/70/70/76/1063707076.db2.gz XKXBGZGUMGAAJR-UHFFFAOYSA-N 1 0 454.648 2.851 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(F)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001295667166 1063707968 /nfs/dbraw/zinc/70/79/68/1063707968.db2.gz HLMKVDNHSCWBOC-UHFFFAOYSA-N 1 0 485.608 2.992 20 0 JFADRO C[C@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291301746 1063710193 /nfs/dbraw/zinc/71/01/93/1063710193.db2.gz JUXKLHIENZZAPC-LPHOPBHVSA-N 1 0 464.408 2.780 20 0 JFADRO C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001291301856 1063710313 /nfs/dbraw/zinc/71/03/13/1063710313.db2.gz LXHVMMCDHZUNPD-WMZOPIPTSA-N 1 0 481.439 2.508 20 0 JFADRO CCN(CC1CCC1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001295698473 1063725493 /nfs/dbraw/zinc/72/54/93/1063725493.db2.gz OSQRCPVAVNQRIQ-UHFFFAOYSA-N 1 0 455.607 2.787 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295722315 1063737751 /nfs/dbraw/zinc/73/77/51/1063737751.db2.gz KGFXMEJDNNMCHV-GHTZIAJQSA-N 1 0 464.408 2.780 20 0 JFADRO C[C@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310768 1063740390 /nfs/dbraw/zinc/74/03/90/1063740390.db2.gz HOZFQYRTSLFJIE-FUHWJXTLSA-N 1 0 478.066 2.878 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001295724956 1063740910 /nfs/dbraw/zinc/74/09/10/1063740910.db2.gz JFACHMWKGFOVCS-JOCHJYFZSA-N 1 0 455.651 2.927 20 0 JFADRO C[C@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310770 1063741036 /nfs/dbraw/zinc/74/10/36/1063741036.db2.gz HOZFQYRTSLFJIE-WMZOPIPTSA-N 1 0 478.066 2.878 20 0 JFADRO C[C@H]1CSCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCCCCO ZINC001291314851 1063747679 /nfs/dbraw/zinc/74/76/79/1063747679.db2.gz KRPBRUNVEZUYHV-NRFANRHFSA-N 1 0 458.676 2.747 20 0 JFADRO C[C@H]1N(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC[NH+](C)C)CCOC1(C)C ZINC001291316090 1063749465 /nfs/dbraw/zinc/74/94/65/1063749465.db2.gz MQOBFCDZRFLFLQ-CQSZACIVSA-N 1 0 455.401 2.618 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001295748489 1063753417 /nfs/dbraw/zinc/75/34/17/1063753417.db2.gz KWWSBKJPEROJTL-AANPDWTMSA-N 1 0 479.666 2.895 20 0 JFADRO C[C@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCOC1(C)C ZINC001291319434 1063757293 /nfs/dbraw/zinc/75/72/93/1063757293.db2.gz ZIXCQHOVAIMGDT-WOJBJXKFSA-N 1 0 467.680 2.840 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001295765880 1063773233 /nfs/dbraw/zinc/77/32/33/1063773233.db2.gz FOOBSAHSJFNSPO-IBGZPJMESA-N 1 0 485.599 2.597 20 0 JFADRO C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(Br)c3)n1CCOCC[NH+](C)C)CCO2 ZINC001291325185 1063774259 /nfs/dbraw/zinc/77/42/59/1063774259.db2.gz FVEKHHPREGQBQX-VGOFRKELSA-N 1 0 494.434 2.670 20 0 JFADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C[NH+](C)C ZINC001295768433 1063778241 /nfs/dbraw/zinc/77/82/41/1063778241.db2.gz WZEVEKUNZSYVKJ-LJQANCHMSA-N 1 0 470.618 2.768 20 0 JFADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295770997 1063779269 /nfs/dbraw/zinc/77/92/69/1063779269.db2.gz BEUKQPMCLDKREI-VWPQPMDRSA-N 1 0 454.619 2.798 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(CC3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1)CC(F)(F)F ZINC001295768995 1063779482 /nfs/dbraw/zinc/77/94/82/1063779482.db2.gz ZVZYRMLZZYSSKC-FQEVSTJZSA-N 1 0 485.643 2.967 20 0 JFADRO C[C@@H]1[C@H](C)SCCN1c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCOCC1 ZINC001291333344 1063789467 /nfs/dbraw/zinc/78/94/67/1063789467.db2.gz JKSVWIRIWNTXEP-SJORKVTESA-N 1 0 478.688 2.711 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC001291334646 1063792429 /nfs/dbraw/zinc/79/24/29/1063792429.db2.gz CBFAVWIJRWYZNQ-XMERXJNXSA-N 1 0 496.660 2.931 20 0 JFADRO CCN(CCCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)S(C)(=O)=O ZINC001295810020 1063804616 /nfs/dbraw/zinc/80/46/16/1063804616.db2.gz IYDUHZGMULZHGY-ROUUACIJSA-N 1 0 481.066 2.943 20 0 JFADRO CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295810240 1063804954 /nfs/dbraw/zinc/80/49/54/1063804954.db2.gz FMMRITACKDECBO-LJQANCHMSA-N 1 0 470.684 2.502 20 0 JFADRO CCN(CCCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1)S(C)(=O)=O ZINC001295814891 1063816379 /nfs/dbraw/zinc/81/63/79/1063816379.db2.gz QKWDFDXEDGUSDC-UHFFFAOYSA-N 1 0 468.712 2.993 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291340427 1063817488 /nfs/dbraw/zinc/81/74/88/1063817488.db2.gz JEZSZKCVVDIWGT-GUDVDZBRSA-N 1 0 457.623 2.656 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCCC2)C1 ZINC001291340527 1063817539 /nfs/dbraw/zinc/81/75/39/1063817539.db2.gz LAACVIIIJUUNOD-FQEVSTJZSA-N 1 0 454.623 2.886 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001291340575 1063817578 /nfs/dbraw/zinc/81/75/78/1063817578.db2.gz MPZKJPJPDXPELT-NRFANRHFSA-N 1 0 477.613 2.824 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cccn2)CC1)CCC(F)(F)F ZINC001295815974 1063820843 /nfs/dbraw/zinc/82/08/43/1063820843.db2.gz QDQGXJBWSQNLGS-UHFFFAOYSA-N 1 0 496.582 2.902 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)C(C)C ZINC001295822000 1063827799 /nfs/dbraw/zinc/82/77/99/1063827799.db2.gz VSTXTIISXVVFKH-UHFFFAOYSA-N 1 0 484.649 2.739 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(OC)c2)CC1)C(C)C ZINC001295821720 1063827921 /nfs/dbraw/zinc/82/79/21/1063827921.db2.gz TYXLBPPHXWQGEY-UHFFFAOYSA-N 1 0 492.628 2.991 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001291343246 1063828428 /nfs/dbraw/zinc/82/84/28/1063828428.db2.gz JDVGAUZPGFAUMC-TYPHKJRUSA-N 1 0 458.582 2.719 20 0 JFADRO CC[N@H+](CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC[C@H](OC)C1)C(C)C ZINC001295822549 1063829101 /nfs/dbraw/zinc/82/91/01/1063829101.db2.gz AEYGPJOFBGCORF-IBGZPJMESA-N 1 0 477.679 2.892 20 0 JFADRO CC[N@H+](CCn1c(C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)CCC(F)(F)F ZINC001295822561 1063829204 /nfs/dbraw/zinc/82/92/04/1063829204.db2.gz AYEFQIKDKUOYFD-UHFFFAOYSA-N 1 0 452.481 2.593 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCCN(C(C)=O)CC1)C(C)C ZINC001295822903 1063829810 /nfs/dbraw/zinc/82/98/10/1063829810.db2.gz HKDFGBUHOCOLJM-UHFFFAOYSA-N 1 0 480.455 2.835 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CC(=O)NC)CC1)C1CC1 ZINC001295824525 1063832139 /nfs/dbraw/zinc/83/21/39/1063832139.db2.gz FRRKRGZXEWBVDD-UHFFFAOYSA-N 1 0 478.439 2.873 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C)C(C)C ZINC001295824512 1063832257 /nfs/dbraw/zinc/83/22/57/1063832257.db2.gz FGNJJBUEUYCYFX-GOSISDBHSA-N 1 0 488.633 2.758 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC001295825390 1063834855 /nfs/dbraw/zinc/83/48/55/1063834855.db2.gz XBMMUJKQPWQUMM-QFIPXVFZSA-N 1 0 491.434 2.902 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001291345192 1063836845 /nfs/dbraw/zinc/83/68/45/1063836845.db2.gz RGVSXGGFPVYZNY-QFIPXVFZSA-N 1 0 472.609 2.615 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@@H]1C ZINC001295827695 1063838141 /nfs/dbraw/zinc/83/81/41/1063838141.db2.gz DVUKSBVITBRUGW-ROUUACIJSA-N 1 0 457.596 2.922 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CNC(C)=O)CC1)C(C)C ZINC001295828667 1063839150 /nfs/dbraw/zinc/83/91/50/1063839150.db2.gz ARNFBPVHQRTTKR-UHFFFAOYSA-N 1 0 470.618 2.799 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001291345637 1063839827 /nfs/dbraw/zinc/83/98/27/1063839827.db2.gz AYWWCVQGXUJMLX-NRFANRHFSA-N 1 0 452.603 2.657 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)CCC(F)(F)F ZINC001295829418 1063841611 /nfs/dbraw/zinc/84/16/11/1063841611.db2.gz IKIMHEAXVVMQDG-QGZVFWFLSA-N 1 0 488.942 2.824 20 0 JFADRO 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CC[N@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)OC)CC1)CCC(F)(F)F ZINC001295834476 1063850470 /nfs/dbraw/zinc/85/04/70/1063850470.db2.gz VLPBIFCZGHUGRN-UHFFFAOYSA-N 1 0 498.506 2.837 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001291348268 1063853043 /nfs/dbraw/zinc/85/30/43/1063853043.db2.gz GTJDGFPVYGHTMQ-FPQOSCNCSA-N 1 0 476.666 2.618 20 0 JFADRO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)C(C)C ZINC001295836600 1063853359 /nfs/dbraw/zinc/85/33/59/1063853359.db2.gz BPHQRJGTDDKPHA-UHFFFAOYSA-N 1 0 469.619 2.777 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001291348837 1063854913 /nfs/dbraw/zinc/85/49/13/1063854913.db2.gz YHIJHAGZLFAVHN-HIUFNZKISA-N 1 0 476.666 2.618 20 0 JFADRO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)CCC(F)(F)F ZINC001295837648 1063855437 /nfs/dbraw/zinc/85/54/37/1063855437.db2.gz ASUHADDNWJMYBL-SJORKVTESA-N 1 0 467.496 2.549 20 0 JFADRO 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CCN(CCS(C)(=O)=O)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001295887226 1063935268 /nfs/dbraw/zinc/93/52/68/1063935268.db2.gz YLPGTNJNXKNHIN-HXUWFJFHSA-N 1 0 487.674 2.508 20 0 JFADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291387638 1063935771 /nfs/dbraw/zinc/93/57/71/1063935771.db2.gz NKILHXREVPWBPM-KOSHJBKYSA-N 1 0 490.052 2.535 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291389536 1063939707 /nfs/dbraw/zinc/93/97/07/1063939707.db2.gz MRVFQDDQZHRKMO-UQBPGWFLSA-N 1 0 474.625 2.872 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291389534 1063939749 /nfs/dbraw/zinc/93/97/49/1063939749.db2.gz MRVFQDDQZHRKMO-DFBJGRDBSA-N 1 0 474.625 2.872 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(Cl)cc4F)n3C[C@@H](C)[NH+](CC)CC)CCN2C1=O ZINC001295891214 1063942395 /nfs/dbraw/zinc/94/23/95/1063942395.db2.gz YCXZDCCZTCNDOV-DNVCBOLYSA-N 1 0 491.999 2.941 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H](C)C3)CCN2C1=O ZINC001295891705 1063943559 /nfs/dbraw/zinc/94/35/59/1063943559.db2.gz CMGOXVGRLBOZBA-WOJBJXKFSA-N 1 0 473.666 2.852 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896757 1063950186 /nfs/dbraw/zinc/95/01/86/1063950186.db2.gz KDQVSEHMATWWCN-NFBKMPQASA-N 1 0 494.644 2.731 20 0 JFADRO CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CCO2)cn1 ZINC001295896874 1063950683 /nfs/dbraw/zinc/95/06/83/1063950683.db2.gz NTXRIRJRMOZNNV-PMACEKPBSA-N 1 0 486.646 2.575 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001291395937 1063951221 /nfs/dbraw/zinc/95/12/21/1063951221.db2.gz RJSUODCSZGKKCF-PIBDYAPNSA-N 1 0 454.619 2.657 20 0 JFADRO CC[C@@H](C)[C@](C)(O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291396761 1063952107 /nfs/dbraw/zinc/95/21/07/1063952107.db2.gz BWPUHBNHTBTDND-NTKDMRAZSA-N 1 0 450.672 2.654 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291396822 1063952637 /nfs/dbraw/zinc/95/26/37/1063952637.db2.gz CPXPZUHLOHTYHF-WATLYSKOSA-N 1 0 462.683 2.574 20 0 JFADRO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291400060 1063959874 /nfs/dbraw/zinc/95/98/74/1063959874.db2.gz SRXNHUYDHDZRBJ-FQRUVTKNSA-N 1 0 486.636 2.550 20 0 JFADRO CCn1cc(CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)cn1 ZINC001295914425 1063966442 /nfs/dbraw/zinc/96/64/42/1063966442.db2.gz HUDVHZHDQLKOIU-FQEVSTJZSA-N 1 0 459.639 2.914 20 0 JFADRO CCn1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC001295915302 1063967382 /nfs/dbraw/zinc/96/73/82/1063967382.db2.gz MTKNBSDCNTYMAX-IRFCIJBXSA-N 1 0 491.706 2.790 20 0 JFADRO CC[C@H](C)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001291411023 1063986792 /nfs/dbraw/zinc/98/67/92/1063986792.db2.gz FMHDMBZLLCPSJM-AJSBUHFISA-N 1 0 484.645 2.758 20 0 JFADRO CCn1cc(Cn2c(COc3ccccc3OC)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001295935267 1063987273 /nfs/dbraw/zinc/98/72/73/1063987273.db2.gz XXWJDDBGAACRGD-UHFFFAOYSA-N 1 0 453.591 2.908 20 0 JFADRO CC[C@H](C)[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)OC ZINC001291411754 1063987811 /nfs/dbraw/zinc/98/78/11/1063987811.db2.gz ONPMAPLPMVBXOX-WFXMLNOXSA-N 1 0 453.595 2.512 20 0 JFADRO CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)c1=O ZINC001295938306 1063989144 /nfs/dbraw/zinc/98/91/44/1063989144.db2.gz IAAMOWPEXACLMH-WQMHRJNTSA-N 1 0 486.661 2.933 20 0 JFADRO CC[C@@H](C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)OC ZINC001291413898 1063990323 /nfs/dbraw/zinc/99/03/23/1063990323.db2.gz QYBFNVLZSYHKJL-KNQAVFIVSA-N 1 0 452.607 2.847 20 0 JFADRO CC[C@H](C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291414595 1063991369 /nfs/dbraw/zinc/99/13/69/1063991369.db2.gz ZTUCGUFRAPHLLS-TYJFDUFHSA-N 1 0 485.677 2.724 20 0 JFADRO CCn1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1=O ZINC001295950551 1064001796 /nfs/dbraw/zinc/00/17/96/1064001796.db2.gz JVVJSJDORJPHOJ-UHFFFAOYSA-N 1 0 497.669 2.810 20 0 JFADRO CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCC3(F)F)CC2)CC1 ZINC001295951882 1064004096 /nfs/dbraw/zinc/00/40/96/1064004096.db2.gz PMYWLUAHYBWUGT-IBGZPJMESA-N 1 0 458.594 2.896 20 0 JFADRO CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001295958266 1064007956 /nfs/dbraw/zinc/00/79/56/1064007956.db2.gz WGJUXHYONABNTK-LJQANCHMSA-N 1 0 471.654 2.557 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291427456 1064010521 /nfs/dbraw/zinc/01/05/21/1064010521.db2.gz KOWSPCWGIDOUQA-UFYCRDLUSA-N 1 0 491.706 2.635 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001291428055 1064011348 /nfs/dbraw/zinc/01/13/48/1064011348.db2.gz RJCPGSCIFDJHFS-MSOLQXFVSA-N 1 0 478.663 2.747 20 0 JFADRO CCn1cnnc1Cn1c(C2CCCC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001295963424 1064012354 /nfs/dbraw/zinc/01/23/54/1064012354.db2.gz LSQCUBTXQASLJJ-UHFFFAOYSA-N 1 0 470.544 2.686 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435126 1064015983 /nfs/dbraw/zinc/01/59/83/1064015983.db2.gz YJVAJTZZUYZEHG-UNMCSNQZSA-N 1 0 489.686 2.832 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)Nc2ccccc2)C[C@H]1C ZINC001295975516 1064019847 /nfs/dbraw/zinc/01/98/47/1064019847.db2.gz CSVKUGJLCADHSX-MOPGFXCFSA-N 1 0 476.585 2.873 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451372 1064020611 /nfs/dbraw/zinc/02/06/11/1064020611.db2.gz CITZBHDMCPHEOF-UNMCSNQZSA-N 1 0 489.686 2.690 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291451371 1064020653 /nfs/dbraw/zinc/02/06/53/1064020653.db2.gz CITZBHDMCPHEOF-RBBKRZOGSA-N 1 0 489.686 2.690 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001295975868 1064020766 /nfs/dbraw/zinc/02/07/66/1064020766.db2.gz FSFZAPKZMXKWBY-XFAGBWLFSA-N 1 0 493.052 2.568 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001295976222 1064021651 /nfs/dbraw/zinc/02/16/51/1064021651.db2.gz GRPTZJQMUHAZQP-IAGOWNOFSA-N 1 0 495.550 2.745 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295976841 1064022948 /nfs/dbraw/zinc/02/29/48/1064022948.db2.gz LOXPUHPNZJBXME-ZIAGYGMSSA-N 1 0 472.487 2.847 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 ZINC001291458468 1064024832 /nfs/dbraw/zinc/02/48/32/1064024832.db2.gz HXAFJFWUZCHVDL-CUDBPUKSSA-N 1 0 472.682 2.765 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001295978019 1064025440 /nfs/dbraw/zinc/02/54/40/1064025440.db2.gz JMCMGLMSAQACCB-DYXWJJEUSA-N 1 0 492.690 2.893 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cc(Cl)c3c(c2)OCCO3)C[C@@H]1C ZINC001295977949 1064025598 /nfs/dbraw/zinc/02/55/98/1064025598.db2.gz MCNSIEKQXGGFFZ-JKSUJKDBSA-N 1 0 477.009 2.808 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CCOC)C[C@H]1C ZINC001295979760 1064028551 /nfs/dbraw/zinc/02/85/51/1064028551.db2.gz XDTRMMBNCNXKQS-NXMSCROESA-N 1 0 461.607 2.669 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001291467891 1064028979 /nfs/dbraw/zinc/02/89/79/1064028979.db2.gz DWECNLCZHBLACU-BDTNDASRSA-N 1 0 490.693 2.804 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@@H]1C ZINC001295980170 1064029623 /nfs/dbraw/zinc/02/96/23/1064029623.db2.gz QUCIOBDPSOFPLP-VQTJNVASSA-N 1 0 454.619 2.993 20 0 JFADRO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001295980402 1064030100 /nfs/dbraw/zinc/03/01/00/1064030100.db2.gz YTDWOUFQPHQFOR-RBUKOAKNSA-N 1 0 478.663 2.544 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@H]1C ZINC001295980430 1064030479 /nfs/dbraw/zinc/03/04/79/1064030479.db2.gz ZAWZZFUQHBEIFT-MOPGFXCFSA-N 1 0 468.627 2.905 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001295980889 1064031640 /nfs/dbraw/zinc/03/16/40/1064031640.db2.gz PYSKXPWXWOBAQX-FHWLQOOXSA-N 1 0 492.690 2.794 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCc2ccccc2)C[C@@H]1C ZINC001295981350 1064032043 /nfs/dbraw/zinc/03/20/43/1064032043.db2.gz RJPVOENBXIXXLU-UFYCRDLUSA-N 1 0 462.664 2.830 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001295981780 1064032172 /nfs/dbraw/zinc/03/21/72/1064032172.db2.gz RQLHGYWKWYXQQJ-VJANTYMQSA-N 1 0 476.588 2.805 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001295981779 1064032196 /nfs/dbraw/zinc/03/21/96/1064032196.db2.gz RQLHGYWKWYXQQJ-CADBVGFASA-N 1 0 476.588 2.805 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001295981459 1064032773 /nfs/dbraw/zinc/03/27/73/1064032773.db2.gz ACTDTPWPTCHGHR-IAGOWNOFSA-N 1 0 455.994 2.968 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001295981782 1064033192 /nfs/dbraw/zinc/03/31/92/1064033192.db2.gz RQLHGYWKWYXQQJ-YDZRNGNQSA-N 1 0 476.588 2.805 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCOC[C@H]1CCCO1 ZINC001291471088 1064033322 /nfs/dbraw/zinc/03/33/22/1064033322.db2.gz YVTYJBLXKIVZCC-NEUULRRLSA-N 1 0 490.693 2.756 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001295982284 1064034742 /nfs/dbraw/zinc/03/47/42/1064034742.db2.gz DCELPSBGNOMLJV-QZTJIDSGSA-N 1 0 468.606 2.643 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H](N3CCOCC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291476473 1064034727 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ZINC001295992682 1064047253 /nfs/dbraw/zinc/04/72/53/1064047253.db2.gz FCLZWIRBNWNIKD-ZWKOTPCHSA-N 1 0 466.565 2.532 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001291494183 1064047460 /nfs/dbraw/zinc/04/74/60/1064047460.db2.gz WIHAKAMUTWLEON-VFNWGFHPSA-N 1 0 487.571 2.880 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001295992908 1064047864 /nfs/dbraw/zinc/04/78/64/1064047864.db2.gz BKEIWXIGQWKEQT-MHTWAQMVSA-N 1 0 492.665 2.727 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291495857 1064048696 /nfs/dbraw/zinc/04/86/96/1064048696.db2.gz BALWRNZBEJOPSN-UTKZUKDTSA-N 1 0 467.618 2.668 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@H]1C ZINC001295994228 1064050153 /nfs/dbraw/zinc/05/01/53/1064050153.db2.gz VBZIJTBJWBFACV-MOPGFXCFSA-N 1 0 466.586 2.687 20 0 JFADRO CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001295994669 1064050577 /nfs/dbraw/zinc/05/05/77/1064050577.db2.gz VURZKUFIVWVXCQ-WOJBJXKFSA-N 1 0 462.664 2.844 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@]1(O)CCSC1 ZINC001291499926 1064051023 /nfs/dbraw/zinc/05/10/23/1064051023.db2.gz OYCCZVXABPVTDL-CVDCTZTESA-N 1 0 451.681 2.988 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001291502605 1064053160 /nfs/dbraw/zinc/05/31/60/1064053160.db2.gz KFGDAEUTDJIKDM-IBGZPJMESA-N 1 0 454.685 2.823 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC001295998206 1064055110 /nfs/dbraw/zinc/05/51/10/1064055110.db2.gz TYVOJAYHSXMIKY-UXHICEINSA-N 1 0 465.602 2.865 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001295998338 1064055770 /nfs/dbraw/zinc/05/57/70/1064055770.db2.gz VIFUPQCFDDSIHY-SVFBPWRDSA-N 1 0 472.609 2.589 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291505230 1064056598 /nfs/dbraw/zinc/05/65/98/1064056598.db2.gz FSZLYPWCYAAWKJ-HXUWFJFHSA-N 1 0 482.677 2.824 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001291507029 1064057747 /nfs/dbraw/zinc/05/77/47/1064057747.db2.gz KWWBLWKQKZNDBZ-GOSISDBHSA-N 1 0 484.711 2.541 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296002735 1064057868 /nfs/dbraw/zinc/05/78/68/1064057868.db2.gz NSDYXNNRXZPDMM-SVFBPWRDSA-N 1 0 495.594 2.836 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058456 /nfs/dbraw/zinc/05/84/56/1064058456.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 1 0 470.662 2.907 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291507733 1064058628 /nfs/dbraw/zinc/05/86/28/1064058628.db2.gz ZHQPYWPRGIWJJU-GOSISDBHSA-N 1 0 462.664 2.762 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058913 /nfs/dbraw/zinc/05/89/13/1064058913.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 1 0 470.662 2.907 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291508316 1064059638 /nfs/dbraw/zinc/05/96/38/1064059638.db2.gz KANCNGWDRIBBJG-LJQANCHMSA-N 1 0 484.736 2.625 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001296004342 1064059764 /nfs/dbraw/zinc/05/97/64/1064059764.db2.gz YVIKHAXLVWCHPG-DLBZAZTESA-N 1 0 473.423 2.842 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291508431 1064059953 /nfs/dbraw/zinc/05/99/53/1064059953.db2.gz MCNBHQLMOUNRRH-RTWAWAEBSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291510072 1064061684 /nfs/dbraw/zinc/06/16/84/1064061684.db2.gz OPUHQUUXWIEXMQ-WZONZLPQSA-N 1 0 463.696 2.955 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@H]1C ZINC001296008388 1064062464 /nfs/dbraw/zinc/06/24/64/1064062464.db2.gz HJYKTHIEDGKPIM-RTBURBONSA-N 1 0 474.675 2.886 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001291510949 1064062729 /nfs/dbraw/zinc/06/27/29/1064062729.db2.gz HHGLTVAATMPBOK-UTKZUKDTSA-N 1 0 460.598 2.965 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccc(C(N)=O)c2)C[C@@H]1C ZINC001296008838 1064062868 /nfs/dbraw/zinc/06/28/68/1064062868.db2.gz BSYOJRUAPQOBTI-ZWKOTPCHSA-N 1 0 495.653 2.530 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001296008853 1064062894 /nfs/dbraw/zinc/06/28/94/1064062894.db2.gz BUHCXTQUJKOPIL-IZZGNVEXSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001296009430 1064064785 /nfs/dbraw/zinc/06/47/85/1064064785.db2.gz GEUHWJUYQVNXDX-RBUKOAKNSA-N 1 0 470.618 2.579 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009477 1064064805 /nfs/dbraw/zinc/06/48/05/1064064805.db2.gz GSINKCPVGOMQQV-NHCUHLMSSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001296009429 1064064876 /nfs/dbraw/zinc/06/48/76/1064064876.db2.gz GEUHWJUYQVNXDX-OALUTQOASA-N 1 0 470.618 2.579 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@H]1C ZINC001296009478 1064064933 /nfs/dbraw/zinc/06/49/33/1064064933.db2.gz GSINKCPVGOMQQV-RTWAWAEBSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001296009565 1064065472 /nfs/dbraw/zinc/06/54/72/1064065472.db2.gz LNYLBQVIKDUMRK-QTEQDKRBSA-N 1 0 457.619 2.796 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001291514020 1064066940 /nfs/dbraw/zinc/06/69/40/1064066940.db2.gz LBBHBAMNDYTNAT-YJBOKZPZSA-N 1 0 454.666 2.674 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296010008 1064067399 /nfs/dbraw/zinc/06/73/99/1064067399.db2.gz JQVQLAADWZVIHE-UXHICEINSA-N 1 0 474.654 2.973 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291514644 1064068005 /nfs/dbraw/zinc/06/80/05/1064068005.db2.gz WSKHFEGCKFUUOJ-TZIWHRDSSA-N 1 0 483.665 2.605 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296011245 1064070536 /nfs/dbraw/zinc/07/05/36/1064070536.db2.gz UNQAELYSLMEFDD-JENIJYKNSA-N 1 0 458.573 2.803 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001291518166 1064070767 /nfs/dbraw/zinc/07/07/67/1064070767.db2.gz HCUMJPCUGPVJLG-TZIWHRDSSA-N 1 0 467.680 2.840 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCCC[NH+]1CCCCC1 ZINC001291521522 1064073558 /nfs/dbraw/zinc/07/35/58/1064073558.db2.gz OJAHGLJCQUKFPT-LJQANCHMSA-N 1 0 459.639 2.968 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296013132 1064074017 /nfs/dbraw/zinc/07/40/17/1064074017.db2.gz MHILNJZRMGEOBP-AWRULXHCSA-N 1 0 475.609 2.968 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001296014521 1064075904 /nfs/dbraw/zinc/07/59/04/1064075904.db2.gz YCIVHOHWYKHTTD-QZTJIDSGSA-N 1 0 473.622 2.671 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001296014523 1064075938 /nfs/dbraw/zinc/07/59/38/1064075938.db2.gz YCIVHOHWYKHTTD-ROUUACIJSA-N 1 0 473.622 2.671 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@@H]1C ZINC001296014572 1064076380 /nfs/dbraw/zinc/07/63/80/1064076380.db2.gz YJZIIUGMRBWYJD-VQTJNVASSA-N 1 0 470.618 2.797 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001296015224 1064077091 /nfs/dbraw/zinc/07/70/91/1064077091.db2.gz ZWFOXICTJOVXIO-IRFCIJBXSA-N 1 0 454.619 2.999 20 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2.936 20 0 JFADRO CCN1C[C@@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)Oc2ccccc21 ZINC001296019418 1064081329 /nfs/dbraw/zinc/08/13/29/1064081329.db2.gz XSKWJHOOWQCSQL-KBMIEXCESA-N 1 0 456.635 2.657 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296023266 1064083747 /nfs/dbraw/zinc/08/37/47/1064083747.db2.gz KKQBQYXZVXIKLW-HXUWFJFHSA-N 1 0 491.658 2.708 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296024576 1064084460 /nfs/dbraw/zinc/08/44/60/1064084460.db2.gz CAXIXOLAPWTDDU-NHCUHLMSSA-N 1 0 467.680 2.698 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001291542345 1064085403 /nfs/dbraw/zinc/08/54/03/1064085403.db2.gz PWOXPZMTSWRBPY-CNNODRBYSA-N 1 0 457.671 2.867 20 0 JFADRO CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001296025121 1064085344 /nfs/dbraw/zinc/08/53/44/1064085344.db2.gz MYDBDFGPRWIKKC-UHFFFAOYSA-N 1 0 456.639 2.575 20 0 JFADRO 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CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291619254 1064157286 /nfs/dbraw/zinc/15/72/86/1064157286.db2.gz LHWBNPVMPVFGRZ-UXHICEINSA-N 1 0 468.650 2.733 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088955 1064159542 /nfs/dbraw/zinc/15/95/42/1064159542.db2.gz WVUAHHYXIXTXHX-IFMALSPDSA-N 1 0 474.675 2.627 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296089363 1064160539 /nfs/dbraw/zinc/16/05/39/1064160539.db2.gz PDCBNSSLRJUCQU-RXVVDRJESA-N 1 0 470.618 2.894 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 ZINC001296089764 1064161118 /nfs/dbraw/zinc/16/11/18/1064161118.db2.gz ROCBFPDALCIVCL-ZDUSSCGKSA-N 1 0 453.410 2.580 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1 ZINC001296090377 1064161908 /nfs/dbraw/zinc/16/19/08/1064161908.db2.gz VPGPUEWJVZRDAO-INIZCTEOSA-N 1 0 455.987 2.847 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 ZINC001296091003 1064162481 /nfs/dbraw/zinc/16/24/81/1064162481.db2.gz YREROYGNAOIGBU-GOSISDBHSA-N 1 0 461.408 2.908 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291622142 1064162961 /nfs/dbraw/zinc/16/29/61/1064162961.db2.gz UOEOJFCMDVTLEH-LJQANCHMSA-N 1 0 470.618 2.618 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001296091885 1064163689 /nfs/dbraw/zinc/16/36/89/1064163689.db2.gz DILQDJARJYZSMZ-VNXZQDSDSA-N 1 0 470.666 2.898 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296092052 1064164054 /nfs/dbraw/zinc/16/40/54/1064164054.db2.gz FRAJIEWPJNTNAH-HXUWFJFHSA-N 1 0 460.648 2.542 20 0 JFADRO CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296092609 1064164573 /nfs/dbraw/zinc/16/45/73/1064164573.db2.gz JCKAQWHTZFPKSN-NHCUHLMSSA-N 1 0 475.659 2.787 20 0 JFADRO CCN(c1nnc(CCOc2ccccc2)n1C[C@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296092611 1064164594 /nfs/dbraw/zinc/16/45/94/1064164594.db2.gz JCKAQWHTZFPKSN-RTWAWAEBSA-N 1 0 475.659 2.787 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCC[NH+]1CCCC1 ZINC001291625790 1064165505 /nfs/dbraw/zinc/16/55/05/1064165505.db2.gz HMYITBXVUSLJBR-FCHUYYIVSA-N 1 0 459.683 2.801 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001296093494 1064165668 /nfs/dbraw/zinc/16/56/68/1064165668.db2.gz NYXFZLDZFDDJBJ-YMPZKCBVSA-N 1 0 483.661 2.506 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094713 1064166591 /nfs/dbraw/zinc/16/65/91/1064166591.db2.gz DEVOXJJCTRTLHL-FGZHOGPDSA-N 1 0 467.662 2.799 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095390 1064168645 /nfs/dbraw/zinc/16/86/45/1064168645.db2.gz ITYDJXXUBMGUGN-GHTZIAJQSA-N 1 0 458.582 2.928 20 0 JFADRO CCN1CCCN(c2nnc(C(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001296097408 1064170074 /nfs/dbraw/zinc/17/00/74/1064170074.db2.gz UJTMYLLYJYXHQL-NRFANRHFSA-N 1 0 453.635 2.671 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C ZINC001296097388 1064170119 /nfs/dbraw/zinc/17/01/19/1064170119.db2.gz QCKGWUDDUJPRGU-IBGZPJMESA-N 1 0 454.685 2.700 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCOCC2)CC1=O ZINC001296103690 1064181990 /nfs/dbraw/zinc/18/19/90/1064181990.db2.gz UBALGTZTQOEEIQ-UHFFFAOYSA-N 1 0 479.000 2.907 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637117 1064184671 /nfs/dbraw/zinc/18/46/71/1064184671.db2.gz DFJWTOPNGIVJSP-VQTJNVASSA-N 1 0 452.607 2.676 20 0 JFADRO CCN1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001296108549 1064186734 /nfs/dbraw/zinc/18/67/34/1064186734.db2.gz GAUQGCYCRUFUMJ-UHFFFAOYSA-N 1 0 480.617 2.771 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639560 1064187555 /nfs/dbraw/zinc/18/75/55/1064187555.db2.gz NLSJTUFCMBPNKG-SIKLNZKXSA-N 1 0 459.614 2.605 20 0 JFADRO CCN1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1=O ZINC001296108916 1064187633 /nfs/dbraw/zinc/18/76/33/1064187633.db2.gz UGSMYXGZQXEQIS-UHFFFAOYSA-N 1 0 464.618 2.626 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639702 1064187950 /nfs/dbraw/zinc/18/79/50/1064187950.db2.gz ODBMEQCSPRYSQD-OFNKIYASSA-N 1 0 455.651 2.775 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001296110513 1064188978 /nfs/dbraw/zinc/18/89/78/1064188978.db2.gz MVRPDHCMRUERQE-BGYRXZFFSA-N 1 0 486.636 2.954 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001291641081 1064190465 /nfs/dbraw/zinc/19/04/65/1064190465.db2.gz WUANVPQBDAITPS-NRFANRHFSA-N 1 0 498.672 2.856 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001291641914 1064191409 /nfs/dbraw/zinc/19/14/09/1064191409.db2.gz GQZVGYJGFHQGOR-QGZVFWFLSA-N 1 0 495.612 2.707 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296111811 1064192216 /nfs/dbraw/zinc/19/22/16/1064192216.db2.gz DNUXZDULUDSFAY-HXUWFJFHSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291643441 1064194574 /nfs/dbraw/zinc/19/45/74/1064194574.db2.gz PDVMRWKMZDGSGB-IPMKNSEASA-N 1 0 476.588 2.602 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291643379 1064194619 /nfs/dbraw/zinc/19/46/19/1064194619.db2.gz IGFFZRNSYUQYAV-FQEVSTJZSA-N 1 0 493.678 2.554 20 0 JFADRO CCN1CCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001296116140 1064195941 /nfs/dbraw/zinc/19/59/41/1064195941.db2.gz AJEYTTINADYWIW-FQEVSTJZSA-N 1 0 454.619 2.615 20 0 JFADRO CCN1CCCN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2CCCCC2)CC1=O ZINC001296116162 1064196361 /nfs/dbraw/zinc/19/63/61/1064196361.db2.gz BMCRITDOEWCWLW-UHFFFAOYSA-N 1 0 454.619 2.834 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001291643903 1064196473 /nfs/dbraw/zinc/19/64/73/1064196473.db2.gz MABMNHDHBGAFPL-FHWLQOOXSA-N 1 0 466.652 2.938 20 0 JFADRO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001296117811 1064199372 /nfs/dbraw/zinc/19/93/72/1064199372.db2.gz WOTUNMODBPCIII-UHFFFAOYSA-N 1 0 470.666 2.853 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)CC2)CC1 ZINC001296118960 1064202678 /nfs/dbraw/zinc/20/26/78/1064202678.db2.gz MJCXOKHXZJZSQJ-XMMPIXPASA-N 1 0 485.652 2.799 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296119526 1064205181 /nfs/dbraw/zinc/20/51/81/1064205181.db2.gz VZKHWIVTBCSZQJ-GOSISDBHSA-N 1 0 459.664 2.546 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001291652432 1064205524 /nfs/dbraw/zinc/20/55/24/1064205524.db2.gz SFWMIZYFGQEOOG-SXLOBPIMSA-N 1 0 453.591 2.567 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001291652176 1064205529 /nfs/dbraw/zinc/20/55/29/1064205529.db2.gz RIQQOAZCKOQIMZ-PZJWPPBQSA-N 1 0 467.618 2.786 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291654312 1064206330 /nfs/dbraw/zinc/20/63/30/1064206330.db2.gz GTEMDJVSSHFTMN-GHTZIAJQSA-N 1 0 454.619 2.580 20 0 JFADRO CCN(CC1CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296119938 1064207071 /nfs/dbraw/zinc/20/70/71/1064207071.db2.gz CAHHPSXXYZOEDV-IBGZPJMESA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120225 1064208641 /nfs/dbraw/zinc/20/86/41/1064208641.db2.gz GIHCMCAUEWDJKE-SFHLNBCPSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC001296120371 1064209308 /nfs/dbraw/zinc/20/93/08/1064209308.db2.gz IFCUGVTVSZNACT-GOSISDBHSA-N 1 0 460.696 2.827 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296120337 1064209427 /nfs/dbraw/zinc/20/94/27/1064209427.db2.gz HNYITWJQNJBMIR-TXTKFYIRSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296120519 1064209817 /nfs/dbraw/zinc/20/98/17/1064209817.db2.gz IZIHEAPIPNRVIM-MSOLQXFVSA-N 1 0 477.604 2.918 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120559 1064210511 /nfs/dbraw/zinc/21/05/11/1064210511.db2.gz JLZQRDAGVPVMRL-JQVVWYNYSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC001296120715 1064210986 /nfs/dbraw/zinc/21/09/86/1064210986.db2.gz KJAVTSPQGQTRSN-SQJMNOBHSA-N 1 0 457.667 2.769 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296121076 1064211678 /nfs/dbraw/zinc/21/16/78/1064211678.db2.gz MRFSCGCALQTIJG-SFHVURJKSA-N 1 0 477.057 2.919 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296121074 1064211793 /nfs/dbraw/zinc/21/17/93/1064211793.db2.gz MRFSCGCALQTIJG-GOSISDBHSA-N 1 0 477.057 2.919 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001291669990 1064212767 /nfs/dbraw/zinc/21/27/67/1064212767.db2.gz NDIKMFUQZPHRBO-XUVXKRRUSA-N 1 0 474.654 2.902 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291672382 1064214131 /nfs/dbraw/zinc/21/41/31/1064214131.db2.gz QVHVLUKGDZZUBV-AUSIDOKSSA-N 1 0 468.646 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001296122894 1064215736 /nfs/dbraw/zinc/21/57/36/1064215736.db2.gz ZVXRMMPBXQMZEZ-VQTJNVASSA-N 1 0 478.645 2.528 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)CC1 ZINC001296123901 1064216074 /nfs/dbraw/zinc/21/60/74/1064216074.db2.gz DLKMIIYYEJZFSO-INIZCTEOSA-N 1 0 482.460 2.850 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296124190 1064216676 /nfs/dbraw/zinc/21/66/76/1064216676.db2.gz GCTRYIVXJWVMGA-FDFHNCONSA-N 1 0 487.668 2.656 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296124802 1064217598 /nfs/dbraw/zinc/21/75/98/1064217598.db2.gz JDFYGJZAXQNPMJ-UXHICEINSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@@H](OCCOC)C2)CC1 ZINC001296125232 1064218273 /nfs/dbraw/zinc/21/82/73/1064218273.db2.gz LKZUGSXZNLMZQA-VQTJNVASSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296126022 1064219602 /nfs/dbraw/zinc/21/96/02/1064219602.db2.gz OQXWXVGXPSJGIJ-MSOLQXFVSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296126887 1064221325 /nfs/dbraw/zinc/22/13/25/1064221325.db2.gz SNQWNFIOTOKFKP-LJQANCHMSA-N 1 0 479.629 2.869 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296126850 1064221367 /nfs/dbraw/zinc/22/13/67/1064221367.db2.gz RYJIXMIUSMDOAF-TXTKFYIRSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296127360 1064221666 /nfs/dbraw/zinc/22/16/66/1064221666.db2.gz UXZYBVLBDKKSBI-HRFSGMKKSA-N 1 0 481.689 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296127619 1064221701 /nfs/dbraw/zinc/22/17/01/1064221701.db2.gz VODMVGSCBQAWCP-QGZVFWFLSA-N 1 0 494.015 2.652 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296127624 1064222086 /nfs/dbraw/zinc/22/20/86/1064222086.db2.gz VQXHGYICBZJENI-FQEVSTJZSA-N 1 0 481.645 2.926 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128046 1064222363 /nfs/dbraw/zinc/22/23/63/1064222363.db2.gz XJDOERKBFNNASU-RTWAWAEBSA-N 1 0 498.676 2.812 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296128327 1064222532 /nfs/dbraw/zinc/22/25/32/1064222532.db2.gz YBPCJWQIYHOAEH-IRXDYDNUSA-N 1 0 494.471 2.945 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129607 1064222740 /nfs/dbraw/zinc/22/27/40/1064222740.db2.gz AYJPWFCPULZGOJ-FCHUYYIVSA-N 1 0 456.635 2.632 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296129955 1064223198 /nfs/dbraw/zinc/22/31/98/1064223198.db2.gz CZVULFFXBLVDHK-RBUKOAKNSA-N 1 0 461.655 2.627 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001296130033 1064223560 /nfs/dbraw/zinc/22/35/60/1064223560.db2.gz AWWIRFKZMDDADT-NRFANRHFSA-N 1 0 499.679 2.994 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291713368 1064224154 /nfs/dbraw/zinc/22/41/54/1064224154.db2.gz HHNPJPGFYVLYBZ-OALUTQOASA-N 1 0 477.679 2.689 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296130769 1064224229 /nfs/dbraw/zinc/22/42/29/1064224229.db2.gz FTIMXEQFBUFLMR-FQEVSTJZSA-N 1 0 466.634 2.740 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296131346 1064225401 /nfs/dbraw/zinc/22/54/01/1064225401.db2.gz JTZVXRLLOYWNBE-QGZVFWFLSA-N 1 0 451.063 2.916 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131432 1064226033 /nfs/dbraw/zinc/22/60/33/1064226033.db2.gz KQLOVDNSUQPFKG-LEWJYISDSA-N 1 0 493.697 2.705 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296132074 1064228447 /nfs/dbraw/zinc/22/84/47/1064228447.db2.gz QOLPGHIPESAFCJ-SFHVURJKSA-N 1 0 490.599 2.563 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296132433 1064229652 /nfs/dbraw/zinc/22/96/52/1064229652.db2.gz UDDJICTYQNFPDO-IFMALSPDSA-N 1 0 455.651 2.541 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132344 1064229781 /nfs/dbraw/zinc/22/97/81/1064229781.db2.gz SMXPGNKXZKPYRG-CJFMBICVSA-N 1 0 462.683 2.667 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccccc2C)CC1 ZINC001296132527 1064230260 /nfs/dbraw/zinc/23/02/60/1064230260.db2.gz RECSQLBOLZXTAM-VSKRKVRLSA-N 1 0 488.702 2.712 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296132633 1064231014 /nfs/dbraw/zinc/23/10/14/1064231014.db2.gz CGIPUOCPSBWRDX-PKTZIBPZSA-N 1 0 497.688 2.557 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132925 1064232233 /nfs/dbraw/zinc/23/22/33/1064232233.db2.gz FABSAUUGUYIILX-FDFHNCONSA-N 1 0 456.635 2.805 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[C@@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133186 1064232684 /nfs/dbraw/zinc/23/26/84/1064232684.db2.gz GMKVHNFFSKUSHE-DFBJGRDBSA-N 1 0 458.626 2.839 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001296133874 1064234878 /nfs/dbraw/zinc/23/48/78/1064234878.db2.gz LFUIVPHROTZRNH-DHIUTWEWSA-N 1 0 470.662 2.973 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001296133880 1064235021 /nfs/dbraw/zinc/23/50/21/1064235021.db2.gz LFUIVPHROTZRNH-GOTSBHOMSA-N 1 0 470.662 2.973 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296134763 1064236519 /nfs/dbraw/zinc/23/65/19/1064236519.db2.gz PYSORDIYKBXUBZ-CQSZACIVSA-N 1 0 462.400 2.539 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296134672 1064236685 /nfs/dbraw/zinc/23/66/85/1064236685.db2.gz ZMTRTGVPNBPYOX-UTKZUKDTSA-N 1 0 475.588 2.560 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001291754815 1064236987 /nfs/dbraw/zinc/23/69/87/1064236987.db2.gz YAIYGZAWYBAVLH-KRWDZBQOSA-N 1 0 466.590 2.530 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCN(Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134926 1064237487 /nfs/dbraw/zinc/23/74/87/1064237487.db2.gz SRWWPKFJUKGMNW-IBGZPJMESA-N 1 0 474.723 2.689 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296134984 1064237914 /nfs/dbraw/zinc/23/79/14/1064237914.db2.gz UGMUWDRCBQDADX-VQTJNVASSA-N 1 0 474.675 2.830 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccoc2)CC1 ZINC001296135203 1064238837 /nfs/dbraw/zinc/23/88/37/1064238837.db2.gz XEHYHYZRLALXCS-GOSISDBHSA-N 1 0 471.631 2.525 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291759737 1064240047 /nfs/dbraw/zinc/24/00/47/1064240047.db2.gz HVPCFYCQCTXDJD-ZWKOTPCHSA-N 1 0 450.591 2.732 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291759870 1064240442 /nfs/dbraw/zinc/24/04/42/1064240442.db2.gz LOMAMUBLJPILIU-MSOLQXFVSA-N 1 0 465.643 2.592 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291759752 1064240549 /nfs/dbraw/zinc/24/05/49/1064240549.db2.gz KAWKSGQRCCKXIA-HXUWFJFHSA-N 1 0 496.660 2.885 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001291760015 1064240985 /nfs/dbraw/zinc/24/09/85/1064240985.db2.gz MODWPKMMEPFDMR-UXHICEINSA-N 1 0 484.649 2.705 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001291760865 1064242102 /nfs/dbraw/zinc/24/21/02/1064242102.db2.gz OGZCCOBQANBVND-LQWHRVPQSA-N 1 0 463.648 2.940 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001296136706 1064242206 /nfs/dbraw/zinc/24/22/06/1064242206.db2.gz KJWNYYIWYNVQKZ-GAJHUEQPSA-N 1 0 461.010 2.606 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001291760913 1064242285 /nfs/dbraw/zinc/24/22/85/1064242285.db2.gz OQTOEJZBPIMLTH-FDDCHVKYSA-N 1 0 461.632 2.696 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137829 1064244316 /nfs/dbraw/zinc/24/43/16/1064244316.db2.gz QYCVLUXVLTZOMO-JUXOCIIHSA-N 1 0 488.599 2.685 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001291763918 1064244628 /nfs/dbraw/zinc/24/46/28/1064244628.db2.gz YPHNZRGOUCKJLU-FXAWDEMLSA-N 1 0 458.607 2.798 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(-c3ccccc3)c2)C[C@@H]1C ZINC001296140943 1064246559 /nfs/dbraw/zinc/24/65/59/1064246559.db2.gz ALDNZVGCBQBRAZ-VQTJNVASSA-N 1 0 453.591 2.767 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001291765651 1064246604 /nfs/dbraw/zinc/24/66/04/1064246604.db2.gz ORDUWBGICFNNQV-RBBKRZOGSA-N 1 0 486.661 2.992 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001291765652 1064246673 /nfs/dbraw/zinc/24/66/73/1064246673.db2.gz ORDUWBGICFNNQV-UNMCSNQZSA-N 1 0 486.661 2.992 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCOCC1 ZINC001291765966 1064247361 /nfs/dbraw/zinc/24/73/61/1064247361.db2.gz SCTQFGOKVWHSNI-SFHVURJKSA-N 1 0 453.595 2.514 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291766204 1064247755 /nfs/dbraw/zinc/24/77/55/1064247755.db2.gz BHYCRPIQHIZAQP-SJORKVTESA-N 1 0 469.055 2.799 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 ZINC001291766263 1064247773 /nfs/dbraw/zinc/24/77/73/1064247773.db2.gz UKUAJJCKLTWHDX-KRWDZBQOSA-N 1 0 479.025 2.632 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)on2)C[C@@H]1C ZINC001296142047 1064248663 /nfs/dbraw/zinc/24/86/63/1064248663.db2.gz IHGVTVPBKOZEOA-HNNXBMFYSA-N 1 0 456.547 2.846 20 0 JFADRO 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CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291783396 1064276366 /nfs/dbraw/zinc/27/63/66/1064276366.db2.gz KYPFVBOORCLYOS-IBGZPJMESA-N 1 0 491.681 2.872 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001291783397 1064276520 /nfs/dbraw/zinc/27/65/20/1064276520.db2.gz KYPFVBOORCLYOS-LJQANCHMSA-N 1 0 491.681 2.872 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784432 1064278836 /nfs/dbraw/zinc/27/88/36/1064278836.db2.gz RASJLXZAPHOVFO-GBXCKJPGSA-N 1 0 475.659 2.911 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Nc2ccn(C)n2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001291784381 1064279051 /nfs/dbraw/zinc/27/90/51/1064279051.db2.gz GYSZBWNYEDTRFI-SJORKVTESA-N 1 0 462.599 2.794 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC=CO2)C[C@H]1C ZINC001296163713 1064279432 /nfs/dbraw/zinc/27/94/32/1064279432.db2.gz YGYCWIZAMWSVGR-AABGKKOBSA-N 1 0 476.622 2.810 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784488 1064279521 /nfs/dbraw/zinc/27/95/21/1064279521.db2.gz RWGOQFTYPHFHDC-NTKDMRAZSA-N 1 0 491.658 2.611 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291784861 1064279994 /nfs/dbraw/zinc/27/99/94/1064279994.db2.gz SJUAFCQMPNHZGV-HXUWFJFHSA-N 1 0 479.629 2.861 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001291784941 1064280497 /nfs/dbraw/zinc/28/04/97/1064280497.db2.gz SZNMFGXRRABOFM-SJBKTWHCSA-N 1 0 454.619 2.858 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001291784917 1064280734 /nfs/dbraw/zinc/28/07/34/1064280734.db2.gz STZZLCCBMCWINA-ZYLNGJIFSA-N 1 0 473.618 2.980 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296164699 1064282290 /nfs/dbraw/zinc/28/22/90/1064282290.db2.gz BAQXNYLHHXCFNJ-FQEVSTJZSA-N 1 0 456.639 2.509 20 0 JFADRO CC[C@@H](C)NC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001291787313 1064284747 /nfs/dbraw/zinc/28/47/47/1064284747.db2.gz ZKXRVEQMLJZGPG-HXUWFJFHSA-N 1 0 483.661 2.913 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2OC)C[C@H]1C ZINC001296166166 1064286097 /nfs/dbraw/zinc/28/60/97/1064286097.db2.gz LUQXCZZQFDYKAZ-MRXNPFEDSA-N 1 0 472.590 2.996 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001296168963 1064292008 /nfs/dbraw/zinc/29/20/08/1064292008.db2.gz ZFXAJUSLFQHXMG-HNNXBMFYSA-N 1 0 450.509 2.591 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296168968 1064292577 /nfs/dbraw/zinc/29/25/77/1064292577.db2.gz ZHJZFEALDCNJFC-LJQANCHMSA-N 1 0 458.607 2.955 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291794872 1064297313 /nfs/dbraw/zinc/29/73/13/1064297313.db2.gz UTIJJVLZHQCXMO-SFHVURJKSA-N 1 0 490.052 2.697 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@@H]1C ZINC001296173925 1064299347 /nfs/dbraw/zinc/29/93/47/1064299347.db2.gz MUZKQWVHNPWQQP-OFNKIYASSA-N 1 0 470.662 2.973 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001291795799 1064300941 /nfs/dbraw/zinc/30/09/41/1064300941.db2.gz IFSWOWHRYIXHPM-GOSISDBHSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291796014 1064302183 /nfs/dbraw/zinc/30/21/83/1064302183.db2.gz IRIXMCWVNVZAKG-FYYLOGMGSA-N 1 0 497.688 2.863 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2conc2COC)C[C@@H]1C ZINC001296175581 1064304449 /nfs/dbraw/zinc/30/44/49/1064304449.db2.gz XJXUZCWGLONGDF-KRWDZBQOSA-N 1 0 456.547 2.579 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)CCOC)C2)CC1 ZINC001296178644 1064306460 /nfs/dbraw/zinc/30/64/60/1064306460.db2.gz BRRPZNYXKYYVEN-OAQYLSRUSA-N 1 0 455.651 2.927 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(-c4cccn4C)n3CCC[N@H+](C)C(C)C)CC2)C1=O ZINC001296179611 1064309128 /nfs/dbraw/zinc/30/91/28/1064309128.db2.gz HWBJUQHYFZOWAG-UHFFFAOYSA-N 1 0 456.639 2.740 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CCOC(C)(C)C)C2)CC1 ZINC001296180525 1064311342 /nfs/dbraw/zinc/31/13/42/1064311342.db2.gz NUOHPDIEBKCSQC-OAQYLSRUSA-N 1 0 456.635 2.985 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@H](C)OC)C2)CC1 ZINC001296180562 1064311964 /nfs/dbraw/zinc/31/19/64/1064311964.db2.gz NSFGDWJRUXLOFP-ROUUACIJSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@@H](C)OC)C2)CC1 ZINC001296180560 1064311997 /nfs/dbraw/zinc/31/19/97/1064311997.db2.gz NSFGDWJRUXLOFP-QZTJIDSGSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296180740 1064312655 /nfs/dbraw/zinc/31/26/55/1064312655.db2.gz QSKUEZKPDGECHH-AUSIDOKSSA-N 1 0 462.042 2.617 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CCOC(C)(C)C)C2)CC1 ZINC001296181256 1064314259 /nfs/dbraw/zinc/31/42/59/1064314259.db2.gz WBTSIDIXSJPCDN-OAQYLSRUSA-N 1 0 456.635 2.985 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](C)[NH+](C)C)CC2)C1=O ZINC001296181528 1064315597 /nfs/dbraw/zinc/31/55/97/1064315597.db2.gz WYFYSDZRIUKBPS-SFHVURJKSA-N 1 0 455.607 2.630 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181637 1064316218 /nfs/dbraw/zinc/31/62/18/1064316218.db2.gz AEQMEWKSKVWEFU-CTNGQTDRSA-N 1 0 475.682 2.702 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001296181844 1064318352 /nfs/dbraw/zinc/31/83/52/1064318352.db2.gz FKGLTGWCNGSUJW-HSZRJFAPSA-N 1 0 497.688 2.559 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@](C)(O)CC)C2)CC1 ZINC001296181824 1064318569 /nfs/dbraw/zinc/31/85/69/1064318569.db2.gz DYVHWJBDMMMHPY-HOYKHHGWSA-N 1 0 462.589 2.524 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001291804201 1064320448 /nfs/dbraw/zinc/32/04/48/1064320448.db2.gz OYGUDMABZGPUSN-WOJBJXKFSA-N 1 0 484.645 2.948 20 0 JFADRO COc1ccc(-n2ccnc2SCC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC001296182325 1064322451 /nfs/dbraw/zinc/32/24/51/1064322451.db2.gz CQHWIDWCLWWFQK-UHFFFAOYSA-N 1 0 457.644 2.849 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296182943 1064325948 /nfs/dbraw/zinc/32/59/48/1064325948.db2.gz BMQIVHUECHIZOO-FQEVSTJZSA-N 1 0 488.080 2.931 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296183514 1064329096 /nfs/dbraw/zinc/32/90/96/1064329096.db2.gz DXMVWGGLDTYTHZ-FQEVSTJZSA-N 1 0 491.631 2.614 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296186680 1064334264 /nfs/dbraw/zinc/33/42/64/1064334264.db2.gz XWYFXPGMHIMNHB-IRLDBZIGSA-N 1 0 486.661 2.851 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296186682 1064334956 /nfs/dbraw/zinc/33/49/56/1064334956.db2.gz XWYFXPGMHIMNHB-UNMCSNQZSA-N 1 0 486.661 2.851 20 0 JFADRO CC[C@H]1CN(C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)CC[N@@H+]1Cc1ccccc1 ZINC001296188530 1064335556 /nfs/dbraw/zinc/33/55/56/1064335556.db2.gz LELYRVHKURNMOB-SFHVURJKSA-N 1 0 450.539 2.687 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190055 1064337086 /nfs/dbraw/zinc/33/70/86/1064337086.db2.gz BIHBUWHGSLZWLT-FBLLAGFSSA-N 1 0 484.689 2.553 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190749 1064340456 /nfs/dbraw/zinc/34/04/56/1064340456.db2.gz FFKXBJODWLHZJK-PWHSHALESA-N 1 0 476.616 2.628 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296191623 1064342499 /nfs/dbraw/zinc/34/24/99/1064342499.db2.gz KRIVFLUPDOMLOD-OAQYLSRUSA-N 1 0 488.750 2.837 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001296191767 1064342723 /nfs/dbraw/zinc/34/27/23/1064342723.db2.gz AUCHJKFLEJLYMU-UHFFFAOYSA-N 1 0 496.498 2.713 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)CC1 ZINC001296192029 1064343346 /nfs/dbraw/zinc/34/33/46/1064343346.db2.gz LLUCVXGBQRLBEA-NRFANRHFSA-N 1 0 488.725 2.524 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296192302 1064344713 /nfs/dbraw/zinc/34/47/13/1064344713.db2.gz FBKGXHVTRXLDAV-FQEVSTJZSA-N 1 0 491.631 2.614 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296192309 1064344730 /nfs/dbraw/zinc/34/47/30/1064344730.db2.gz FCMZGDLVUFQSJL-IFMALSPDSA-N 1 0 467.662 2.619 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C2)CC1 ZINC001296192797 1064347455 /nfs/dbraw/zinc/34/74/55/1064347455.db2.gz GPNLFARUOWHYJW-LEWJYISDSA-N 1 0 456.635 2.986 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192912 1064347848 /nfs/dbraw/zinc/34/78/48/1064347848.db2.gz GXCLNPJRAMIMOJ-UHFFFAOYSA-N 1 0 467.662 2.877 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192875 1064347951 /nfs/dbraw/zinc/34/79/51/1064347951.db2.gz HAWBHZOVSNZQNR-REWPJTCUSA-N 1 0 483.661 2.529 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001291817226 1064347961 /nfs/dbraw/zinc/34/79/61/1064347961.db2.gz GPOINYAGCCZVDR-OALUTQOASA-N 1 0 490.599 2.610 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296192900 1064347985 /nfs/dbraw/zinc/34/79/85/1064347985.db2.gz GWEOMNSFJBJSAC-DEJKCJRPSA-N 1 0 462.683 2.902 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296193129 1064348714 /nfs/dbraw/zinc/34/87/14/1064348714.db2.gz HPTXXCPYZNMPFW-GOSISDBHSA-N 1 0 481.567 2.507 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193176 1064348986 /nfs/dbraw/zinc/34/89/86/1064348986.db2.gz HVOVGNZPDRLRSU-FCHUYYIVSA-N 1 0 475.726 2.838 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296193331 1064349481 /nfs/dbraw/zinc/34/94/81/1064349481.db2.gz IIUMOPPVYJWPMP-KNQAVFIVSA-N 1 0 474.723 2.745 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296193380 1064350267 /nfs/dbraw/zinc/35/02/67/1064350267.db2.gz PBTGNFSUMVLVMV-PCCBWWKXSA-N 1 0 458.626 2.895 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296193634 1064351650 /nfs/dbraw/zinc/35/16/50/1064351650.db2.gz KBUNSCIYTHDHOH-FQEVSTJZSA-N 1 0 494.610 2.688 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193707 1064351707 /nfs/dbraw/zinc/35/17/07/1064351707.db2.gz PEGUDNNKFUMLNZ-RBBKRZOGSA-N 1 0 489.709 2.998 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296193636 1064351827 /nfs/dbraw/zinc/35/18/27/1064351827.db2.gz KBUNSCIYTHDHOH-HXUWFJFHSA-N 1 0 494.610 2.688 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296193765 1064352519 /nfs/dbraw/zinc/35/25/19/1064352519.db2.gz QCZHXQSVHGJWQN-BWKNWUBXSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)CC1 ZINC001296194499 1064353157 /nfs/dbraw/zinc/35/31/57/1064353157.db2.gz LYIZFXMMCXWWMF-DHIUTWEWSA-N 1 0 485.652 2.776 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001296193959 1064353404 /nfs/dbraw/zinc/35/34/04/1064353404.db2.gz KRPHBDGXDBRYTD-FQEVSTJZSA-N 1 0 454.623 2.579 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194374 1064355470 /nfs/dbraw/zinc/35/54/70/1064355470.db2.gz RORSAPRWGQUEJT-XMMPIXPASA-N 1 0 495.716 2.642 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194501 1064356159 /nfs/dbraw/zinc/35/61/59/1064356159.db2.gz LYJDQCBHPGXLFE-UFYCRDLUSA-N 1 0 470.609 2.511 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)CC1 ZINC001296194662 1064356962 /nfs/dbraw/zinc/35/69/62/1064356962.db2.gz NDAAMYRUQLKHJF-IBGZPJMESA-N 1 0 474.723 2.941 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296194848 1064358180 /nfs/dbraw/zinc/35/81/80/1064358180.db2.gz GPGWKGAGSKNANS-JOCHJYFZSA-N 1 0 484.645 2.761 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(OC)c3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296194849 1064358237 /nfs/dbraw/zinc/35/82/37/1064358237.db2.gz GPGWKGAGSKNANS-QFIPXVFZSA-N 1 0 484.645 2.761 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN(c3cccc(O)c3)CC2)CC1 ZINC001296195267 1064359732 /nfs/dbraw/zinc/35/97/32/1064359732.db2.gz NOBXOXXNBNCSHB-UHFFFAOYSA-N 1 0 455.651 2.851 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCSCC2)CC1 ZINC001296195401 1064360999 /nfs/dbraw/zinc/36/09/99/1064360999.db2.gz JIUXJRIOKHHFKX-UHFFFAOYSA-N 1 0 474.675 2.933 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296195609 1064361787 /nfs/dbraw/zinc/36/17/87/1064361787.db2.gz WMDQWHCNYBRSAK-OTWHNJEPSA-N 1 0 460.589 2.906 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296196049 1064363382 /nfs/dbraw/zinc/36/33/82/1064363382.db2.gz RFFYGTCXGXHNSI-NRFANRHFSA-N 1 0 455.651 2.867 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296196065 1064364128 /nfs/dbraw/zinc/36/41/28/1064364128.db2.gz OOJKLAPPCJOLDY-HXUWFJFHSA-N 1 0 472.634 2.605 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296196094 1064364945 /nfs/dbraw/zinc/36/49/45/1064364945.db2.gz XCZUZDUEXNWSDH-IRFCIJBXSA-N 1 0 495.594 2.694 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001296196545 1064368098 /nfs/dbraw/zinc/36/80/98/1064368098.db2.gz UIRJXUHKLIHRPM-KRWDZBQOSA-N 1 0 489.466 2.888 20 0 JFADRO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)C(C)C ZINC001296196940 1064371060 /nfs/dbraw/zinc/37/10/60/1064371060.db2.gz WUIZRYOJLMBPOJ-FQEVSTJZSA-N 1 0 480.661 2.700 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296197003 1064371867 /nfs/dbraw/zinc/37/18/67/1064371867.db2.gz WPMCWIFZCMVKQF-OFNKIYASSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296196993 1064371931 /nfs/dbraw/zinc/37/19/31/1064371931.db2.gz XNKBHIKPUKNKEP-WOJBJXKFSA-N 1 0 475.682 2.875 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296197389 1064373442 /nfs/dbraw/zinc/37/34/42/1064373442.db2.gz XSIQJJZYVQBPLM-GOTSBHOMSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C)o3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001296197138 1064373560 /nfs/dbraw/zinc/37/35/60/1064373560.db2.gz VEIRFRDCERQHSP-UHFFFAOYSA-N 1 0 492.690 2.668 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296197132 1064373567 /nfs/dbraw/zinc/37/35/67/1064373567.db2.gz UXDULILSNQZYES-HXUWFJFHSA-N 1 0 472.634 2.605 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296202951 1064379226 /nfs/dbraw/zinc/37/92/26/1064379226.db2.gz JBLJXOWSLRZQIS-NRFANRHFSA-N 1 0 456.635 2.520 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203326 1064381134 /nfs/dbraw/zinc/38/11/34/1064381134.db2.gz KVHZAPGDXJMHJD-SJBKTWHCSA-N 1 0 474.625 2.792 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296203649 1064382132 /nfs/dbraw/zinc/38/21/32/1064382132.db2.gz MOLGDVYZVDZBBC-LRSLUSHPSA-N 1 0 480.723 2.750 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296204539 1064386477 /nfs/dbraw/zinc/38/64/77/1064386477.db2.gz WGOVQFUVLGJZAN-FQEVSTJZSA-N 1 0 473.691 2.717 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296204674 1064387169 /nfs/dbraw/zinc/38/71/69/1064387169.db2.gz VDQMBVQOJSUGST-NRFANRHFSA-N 1 0 457.667 2.830 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(F)c(F)c2)CC1 ZINC001296205019 1064388671 /nfs/dbraw/zinc/38/86/71/1064388671.db2.gz QIZZPTKNZLZVQF-UHFFFAOYSA-N 1 0 458.561 2.621 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC001296205029 1064388696 /nfs/dbraw/zinc/38/86/96/1064388696.db2.gz QUPHCMDYVCYLPG-WATLYSKOSA-N 1 0 462.683 2.667 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001291831118 1064391464 /nfs/dbraw/zinc/39/14/64/1064391464.db2.gz ZPKZEPZVSNSCEG-IFMALSPDSA-N 1 0 469.678 2.915 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296205772 1064391985 /nfs/dbraw/zinc/39/19/85/1064391985.db2.gz YPNRVFNJINIKNM-LJQANCHMSA-N 1 0 461.655 2.534 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3cc4ccccc4o3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001296206165 1064393254 /nfs/dbraw/zinc/39/32/54/1064393254.db2.gz JAMKYHLRDXZGKL-IBGZPJMESA-N 1 0 488.658 2.588 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001296206250 1064394002 /nfs/dbraw/zinc/39/40/02/1064394002.db2.gz LMHYGTCNYDBGMS-JOCHJYFZSA-N 1 0 497.688 2.674 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296206289 1064394043 /nfs/dbraw/zinc/39/40/43/1064394043.db2.gz MFASHZYWXDKSPK-UHFFFAOYSA-N 1 0 457.026 2.996 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291832252 1064395144 /nfs/dbraw/zinc/39/51/44/1064395144.db2.gz GAYPZHZJIUVPJA-FCHUYYIVSA-N 1 0 496.704 2.887 20 0 JFADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CC[NH+](CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001296207569 1064397762 /nfs/dbraw/zinc/39/77/62/1064397762.db2.gz YIACJCZEBGMGLS-NRFANRHFSA-N 1 0 495.093 2.640 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001291832674 1064397818 /nfs/dbraw/zinc/39/78/18/1064397818.db2.gz HTPDOHMRAUNCJI-REWPJTCUSA-N 1 0 467.662 2.630 20 0 JFADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CC[NH+](CC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001296207573 1064398011 /nfs/dbraw/zinc/39/80/11/1064398011.db2.gz YIACJCZEBGMGLS-OAQYLSRUSA-N 1 0 495.093 2.640 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296207341 1064398028 /nfs/dbraw/zinc/39/80/28/1064398028.db2.gz XUEJEMKBVPDQIT-GOSISDBHSA-N 1 0 450.990 2.990 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296211302 1064401855 /nfs/dbraw/zinc/40/18/55/1064401855.db2.gz MFMWQTVDVQTIGX-ISKFKSNPSA-N 1 0 454.663 2.952 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)Cc2csc(Cc3ccccc3)n2)c1 ZINC001296211614 1064402565 /nfs/dbraw/zinc/40/25/65/1064402565.db2.gz ZWOKIXYNKSNWHK-UHFFFAOYSA-N 1 0 458.609 2.755 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296211867 1064402783 /nfs/dbraw/zinc/40/27/83/1064402783.db2.gz QLIGBRJGAUNYFI-LJQANCHMSA-N 1 0 473.632 2.967 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC001296212381 1064403577 /nfs/dbraw/zinc/40/35/77/1064403577.db2.gz XQTLHZKHZHDYRY-HXUWFJFHSA-N 1 0 458.655 2.970 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001296212076 1064403640 /nfs/dbraw/zinc/40/36/40/1064403640.db2.gz UMKYTWUHHCMHQA-UHFFFAOYSA-N 1 0 499.679 2.996 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296212089 1064403701 /nfs/dbraw/zinc/40/37/01/1064403701.db2.gz UWUFREFKLKYQQW-NRFANRHFSA-N 1 0 477.698 2.998 20 0 JFADRO CCn1nc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC[N@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC001296212972 1064405129 /nfs/dbraw/zinc/40/51/29/1064405129.db2.gz DCOPFVUGRJYOMR-SFHVURJKSA-N 1 0 494.644 2.640 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001291835179 1064413366 /nfs/dbraw/zinc/41/33/66/1064413366.db2.gz FPJXBAPXZRDZAU-PKTZIBPZSA-N 1 0 489.709 2.678 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC001296216029 1064421544 /nfs/dbraw/zinc/42/15/44/1064421544.db2.gz YUYOTRDOGPWQIA-NBLPZQPVSA-N 1 0 474.675 2.531 20 0 JFADRO CCn1nc(-c2nnc(N3CCC[C@@H]3C)n2CC[N@H+](C)CCCOC)c2ccccc2c1=O ZINC001296218699 1064430168 /nfs/dbraw/zinc/43/01/68/1064430168.db2.gz BVJUXIGJHXIVNE-SFHVURJKSA-N 1 0 453.591 2.632 20 0 JFADRO CCn1nc(-c2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219157 1064432337 /nfs/dbraw/zinc/43/23/37/1064432337.db2.gz IWVPMIPEJDOUNP-WIYYLYMNSA-N 1 0 467.618 2.876 20 0 JFADRO CCn1nc(-c2nnc(N3CCC=C(C)C3)n2CCC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296221615 1064441095 /nfs/dbraw/zinc/44/10/95/1064441095.db2.gz YIIDOHYJXAVHTD-UHFFFAOYSA-N 1 0 465.602 2.800 20 0 JFADRO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291843617 1064449278 /nfs/dbraw/zinc/44/92/78/1064449278.db2.gz CKOJVYUEPPTFLJ-IFMALSPDSA-N 1 0 454.619 2.599 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001296224353 1064449921 /nfs/dbraw/zinc/44/99/21/1064449921.db2.gz KPOSFQRKJBAMQB-FQEVSTJZSA-N 1 0 484.645 2.665 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001296225367 1064454103 /nfs/dbraw/zinc/45/41/03/1064454103.db2.gz MZTATVNTHFJANZ-RXVVDRJESA-N 1 0 487.693 2.812 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296228657 1064461051 /nfs/dbraw/zinc/46/10/51/1064461051.db2.gz PNAYAICHNCYVKL-QGZVFWFLSA-N 1 0 463.026 2.918 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001296231665 1064467242 /nfs/dbraw/zinc/46/72/42/1064467242.db2.gz IXHWKLVNWTVAPX-UHFFFAOYSA-N 1 0 458.607 2.655 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCOCC[NH+](C)C)c1ccccc1 ZINC001291862159 1064471530 /nfs/dbraw/zinc/47/15/30/1064471530.db2.gz VXBVDYHZVMSCKE-LFAGZIFBSA-N 1 0 457.619 2.782 20 0 JFADRO CC[C@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291863279 1064474207 /nfs/dbraw/zinc/47/42/07/1064474207.db2.gz OAIXRAJFMKYREH-GBXCKJPGSA-N 1 0 456.660 2.831 20 0 JFADRO CC[C@H](c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291863292 1064474956 /nfs/dbraw/zinc/47/49/56/1064474956.db2.gz ODOJYYHILNSGCZ-QFIPXVFZSA-N 1 0 467.662 2.548 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001296234897 1064480774 /nfs/dbraw/zinc/48/07/74/1064480774.db2.gz UEUWDHWKSUXEFY-PMACEKPBSA-N 1 0 470.666 2.932 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001291875296 1064493996 /nfs/dbraw/zinc/49/39/96/1064493996.db2.gz VZTXCGSIXVSBIB-JOCHJYFZSA-N 1 0 474.675 2.824 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291887941 1064510115 /nfs/dbraw/zinc/51/01/15/1064510115.db2.gz LJEUOCFPGBSCOV-ACIOBRDBSA-N 1 0 467.662 2.548 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887955 1064510429 /nfs/dbraw/zinc/51/04/29/1064510429.db2.gz LPUFMWXBZWNMSW-RJGXRXQPSA-N 1 0 468.646 2.879 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001296250121 1064512619 /nfs/dbraw/zinc/51/26/19/1064512619.db2.gz SBUZAAMEKAIVLZ-UHFFFAOYSA-N 1 0 458.582 2.691 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889228 1064514014 /nfs/dbraw/zinc/51/40/14/1064514014.db2.gz ZXNXGECHGXRWIU-RDGATRHJSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@H](c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001291891521 1064517725 /nfs/dbraw/zinc/51/77/25/1064517725.db2.gz BBQGSUWZZZMWPJ-SFTDATJTSA-N 1 0 486.642 2.798 20 0 JFADRO CCNC(=O)C1(Cn2c([C@H](C)CC)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)CCC1 ZINC001296256477 1064520779 /nfs/dbraw/zinc/52/07/79/1064520779.db2.gz IKCRQFXQCVCRTA-LJQANCHMSA-N 1 0 456.639 2.544 20 0 JFADRO C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257217 1064522500 /nfs/dbraw/zinc/52/25/00/1064522500.db2.gz GVTNYFGYUGWCDR-LSDHHAIUSA-N 1 0 450.377 2.683 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291895607 1064527188 /nfs/dbraw/zinc/52/71/88/1064527188.db2.gz XJCMUZUNNQIYDK-IFMALSPDSA-N 1 0 454.619 2.599 20 0 JFADRO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC001296263080 1064529266 /nfs/dbraw/zinc/52/92/66/1064529266.db2.gz FWXKZTQEGPPABB-HXUWFJFHSA-N 1 0 460.667 2.722 20 0 JFADRO CC[C@H](c1nnc(N2CCS(=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291900927 1064531530 /nfs/dbraw/zinc/53/15/30/1064531530.db2.gz KIQYSRNFUQKDBK-GGAORHGYSA-N 1 0 472.703 2.662 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)cc1 ZINC001296271140 1064539374 /nfs/dbraw/zinc/53/93/74/1064539374.db2.gz CBFWFNLTCBJNOY-GOSISDBHSA-N 1 0 466.586 2.801 20 0 JFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001291919627 1064541213 /nfs/dbraw/zinc/54/12/13/1064541213.db2.gz MDFXDHJAGTYENV-INIZCTEOSA-N 1 0 455.563 2.533 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CC(C)C)CC2)cc1 ZINC001296272687 1064541675 /nfs/dbraw/zinc/54/16/75/1064541675.db2.gz JJJJIRHHHAWYOC-UHFFFAOYSA-N 1 0 461.614 2.840 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC001296274446 1064544219 /nfs/dbraw/zinc/54/42/19/1064544219.db2.gz SZVCPIDSNOSKSD-HXUWFJFHSA-N 1 0 464.618 2.645 20 0 JFADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)OC ZINC001291923922 1064544819 /nfs/dbraw/zinc/54/48/19/1064544819.db2.gz SWIBMJWKEWKSLK-OAQYLSRUSA-N 1 0 473.666 2.710 20 0 JFADRO CCC(CC)(Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001291934855 1064553907 /nfs/dbraw/zinc/55/39/07/1064553907.db2.gz YSCHNGQTIPIYEO-HXUWFJFHSA-N 1 0 489.690 2.582 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001296286965 1064558896 /nfs/dbraw/zinc/55/88/96/1064558896.db2.gz PRMIOBUEJGSWAY-NRFANRHFSA-N 1 0 467.662 2.694 20 0 JFADRO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291946201 1064560776 /nfs/dbraw/zinc/56/07/76/1064560776.db2.gz SPXAHPHLWZALDI-KSEOMHKRSA-N 1 0 453.587 2.566 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1)[NH+](C)C ZINC001291950699 1064561708 /nfs/dbraw/zinc/56/17/08/1064561708.db2.gz CGLKEUBCCCVHAC-QUCCMNQESA-N 1 0 484.711 2.652 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@H+](C)C(C)C)CC1 ZINC001296288606 1064561773 /nfs/dbraw/zinc/56/17/73/1064561773.db2.gz LPEPPEWDWZOSKO-LJQANCHMSA-N 1 0 487.718 2.730 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)[NH+](C)C ZINC001291950856 1064562084 /nfs/dbraw/zinc/56/20/84/1064562084.db2.gz CZRFBDBUYCEBOA-FGZHOGPDSA-N 1 0 486.665 2.675 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001291950799 1064562141 /nfs/dbraw/zinc/56/21/41/1064562141.db2.gz CQQMLYRREBVHHL-HSZRJFAPSA-N 1 0 483.661 2.913 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)[NH+](C)C ZINC001291951262 1064563176 /nfs/dbraw/zinc/56/31/76/1064563176.db2.gz FKCKRNOWYAVLMZ-DNQXCXABSA-N 1 0 467.662 2.880 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)[NH+](C)C ZINC001291951733 1064563706 /nfs/dbraw/zinc/56/37/06/1064563706.db2.gz FJRLIKBYXGKEPC-VXKWHMMOSA-N 1 0 497.644 2.793 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2cnccn2)CC1)[NH+]1CCOCC1 ZINC001291951909 1064564554 /nfs/dbraw/zinc/56/45/54/1064564554.db2.gz IDZSWWLAXMIXQK-OAQYLSRUSA-N 1 0 456.639 2.655 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)[NH+]1CCOCC1 ZINC001291952293 1064564973 /nfs/dbraw/zinc/56/49/73/1064564973.db2.gz KBIOARVBMJLCMX-LEWJYISDSA-N 1 0 473.618 2.794 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001291952522 1064565384 /nfs/dbraw/zinc/56/53/84/1064565384.db2.gz LGCZRMASAIHQAO-JTJHWIPRSA-N 1 0 484.711 2.508 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001291953176 1064566306 /nfs/dbraw/zinc/56/63/06/1064566306.db2.gz PBLARCZBEMGFHC-OAQYLSRUSA-N 1 0 475.682 2.764 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291954384 1064567507 /nfs/dbraw/zinc/56/75/07/1064567507.db2.gz UDFCKOAMXDATFL-AVRDEDQJSA-N 1 0 488.608 2.630 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001296293509 1064569189 /nfs/dbraw/zinc/56/91/89/1064569189.db2.gz JFMYIIZAASSXMW-ZLNRFVROSA-N 1 0 489.709 2.536 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+](C)C ZINC001291955235 1064569362 /nfs/dbraw/zinc/56/93/62/1064569362.db2.gz UHNWIOJEQNPOCT-IBGZPJMESA-N 1 0 498.097 2.878 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955684 1064570382 /nfs/dbraw/zinc/57/03/82/1064570382.db2.gz ZSNKDISJYVDZJS-UNMCSNQZSA-N 1 0 461.699 2.901 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001296294886 1064570773 /nfs/dbraw/zinc/57/07/73/1064570773.db2.gz NMVYLIHTFIVGTB-FQEVSTJZSA-N 1 0 459.664 2.558 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001291961025 1064573132 /nfs/dbraw/zinc/57/31/32/1064573132.db2.gz AJYMNWAUGUIRNE-UGKGYDQZSA-N 1 0 471.650 2.512 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)C1)[NH+](C)C ZINC001291962012 1064575513 /nfs/dbraw/zinc/57/55/13/1064575513.db2.gz FIPTZFWOXHRCFT-FQEVSTJZSA-N 1 0 451.575 2.903 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCCN(C(=O)C(C)C)CC1)[NH+]1CCOCC1 ZINC001291962207 1064575953 /nfs/dbraw/zinc/57/59/53/1064575953.db2.gz ACQHHBVDHXNYSS-QFIPXVFZSA-N 1 0 460.667 2.987 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC)C1)[NH+](C)C ZINC001291963100 1064576306 /nfs/dbraw/zinc/57/63/06/1064576306.db2.gz RJTDCSRCUROBPD-PMACEKPBSA-N 1 0 459.591 2.892 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291963829 1064577727 /nfs/dbraw/zinc/57/77/27/1064577727.db2.gz STMKMOKSSMFQMZ-UYAOXDASSA-N 1 0 450.653 2.663 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291964630 1064578113 /nfs/dbraw/zinc/57/81/13/1064578113.db2.gz NCRBDCXPUYPTEF-FQEVSTJZSA-N 1 0 496.582 2.556 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001291965852 1064578879 /nfs/dbraw/zinc/57/88/79/1064578879.db2.gz JBFLGUPTQRULQH-SFTDATJTSA-N 1 0 491.681 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291966227 1064579208 /nfs/dbraw/zinc/57/92/08/1064579208.db2.gz JTDKEAKVPXTRNB-IBGZPJMESA-N 1 0 458.573 2.977 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001291966547 1064580358 /nfs/dbraw/zinc/58/03/58/1064580358.db2.gz KLMJPCQIZWMVIP-NTKDMRAZSA-N 1 0 459.639 2.727 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001291966884 1064581236 /nfs/dbraw/zinc/58/12/36/1064581236.db2.gz FMRRFEWKDBUUCQ-HLAWJBBLSA-N 1 0 498.738 2.850 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)[NH+]1CCOCC1 ZINC001291967672 1064583210 /nfs/dbraw/zinc/58/32/10/1064583210.db2.gz QGNLESKUPMDASD-XWGVYQGASA-N 1 0 490.693 2.662 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001296303076 1064583269 /nfs/dbraw/zinc/58/32/69/1064583269.db2.gz ZBFSKGVGPSQDKA-MOPGFXCFSA-N 1 0 473.597 2.893 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001291968239 1064584108 /nfs/dbraw/zinc/58/41/08/1064584108.db2.gz OZCPULMHNJZDLA-ZJSXRUAMSA-N 1 0 482.673 2.981 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC001291968821 1064584737 /nfs/dbraw/zinc/58/47/37/1064584737.db2.gz RWTMXENLSNTMDL-NRSPTQNISA-N 1 0 477.679 2.622 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001291969691 1064585461 /nfs/dbraw/zinc/58/54/61/1064585461.db2.gz XSRDYIHBFCMJJI-OFNKIYASSA-N 1 0 498.672 2.681 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291969692 1064585601 /nfs/dbraw/zinc/58/56/01/1064585601.db2.gz XSRDYIHBFCMJJI-REWPJTCUSA-N 1 0 498.672 2.681 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291969711 1064585867 /nfs/dbraw/zinc/58/58/67/1064585867.db2.gz YBCZAIKMFSJZTL-DKKFBQAASA-N 1 0 457.710 2.877 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291972817 1064587202 /nfs/dbraw/zinc/58/72/02/1064587202.db2.gz DAPSWYQQVISNLU-SFTDATJTSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291973030 1064587526 /nfs/dbraw/zinc/58/75/26/1064587526.db2.gz DTYSXJLGRKTIOT-XUZZJYLKSA-N 1 0 491.706 2.521 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001296307750 1064588428 /nfs/dbraw/zinc/58/84/28/1064588428.db2.gz NJTVDAGZSHTSLA-UHFFFAOYSA-N 1 0 455.607 2.681 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291973999 1064588620 /nfs/dbraw/zinc/58/86/20/1064588620.db2.gz KNUUCZGCOUWLCM-QHCPKHFHSA-N 1 0 465.650 2.690 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC001296308291 1064589282 /nfs/dbraw/zinc/58/92/82/1064589282.db2.gz WNIWWHDOECRSFG-NRFANRHFSA-N 1 0 499.660 2.934 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001291975537 1064590423 /nfs/dbraw/zinc/59/04/23/1064590423.db2.gz VEKPWILCGRBQFI-RTWAWAEBSA-N 1 0 461.680 2.521 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291975730 1064591214 /nfs/dbraw/zinc/59/12/14/1064591214.db2.gz YCMLWKQZQWPRGE-SQJMNOBHSA-N 1 0 476.666 2.543 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296312216 1064592196 /nfs/dbraw/zinc/59/21/96/1064592196.db2.gz VMQIRMCDRQLPLR-UXHICEINSA-N 1 0 469.634 2.926 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296315555 1064594814 /nfs/dbraw/zinc/59/48/14/1064594814.db2.gz RYWRIAZPAULNIR-PMACEKPBSA-N 1 0 461.655 2.534 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296315557 1064594862 /nfs/dbraw/zinc/59/48/62/1064594862.db2.gz RYWRIAZPAULNIR-VQTJNVASSA-N 1 0 461.655 2.534 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001296316035 1064595910 /nfs/dbraw/zinc/59/59/10/1064595910.db2.gz MZFDZWZQTBRLCD-UHFFFAOYSA-N 1 0 457.598 2.591 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001291988130 1064601959 /nfs/dbraw/zinc/60/19/59/1064601959.db2.gz FTAUGLDPRMUDDC-UHFFFAOYSA-N 1 0 483.661 2.606 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001296324231 1064607969 /nfs/dbraw/zinc/60/79/69/1064607969.db2.gz GVIUDDTTZQZLRP-HXUWFJFHSA-N 1 0 487.624 2.968 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)CC(F)(F)F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001291994325 1064611011 /nfs/dbraw/zinc/61/10/11/1064611011.db2.gz PVQYYUWKZBHHQX-UHFFFAOYSA-N 1 0 460.545 2.840 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001296327831 1064622213 /nfs/dbraw/zinc/62/22/13/1064622213.db2.gz ZHHUWLKDOKKVDE-LEWJYISDSA-N 1 0 460.648 2.584 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1CC[NH+]1CCCCCC1 ZINC001292006727 1064625495 /nfs/dbraw/zinc/62/54/95/1064625495.db2.gz HRQKIEVZMXVAMR-UHFFFAOYSA-N 1 0 464.655 2.908 20 0 JFADRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001292010543 1064636441 /nfs/dbraw/zinc/63/64/41/1064636441.db2.gz LMIJRKVVUSUQNQ-KZNAEPCWSA-N 1 0 458.607 2.893 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CC[N@H+](C)Cc1ccccc1 ZINC001292013004 1064638042 /nfs/dbraw/zinc/63/80/42/1064638042.db2.gz GXICUFBIBFIBDE-FCHUYYIVSA-N 1 0 481.645 2.576 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292013796 1064641451 /nfs/dbraw/zinc/64/14/51/1064641451.db2.gz MNYDUHJFMWOCID-AUSIDOKSSA-N 1 0 495.672 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001292014058 1064642832 /nfs/dbraw/zinc/64/28/32/1064642832.db2.gz NYAPIXLIPCDOGK-NNWRFLSQSA-N 1 0 487.693 2.956 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC=C(C)C ZINC001292017654 1064651556 /nfs/dbraw/zinc/65/15/56/1064651556.db2.gz LMWDARKOCDEQHH-REWPJTCUSA-N 1 0 487.693 2.932 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@H]1CCn2ccnc2C1 ZINC001292019383 1064657773 /nfs/dbraw/zinc/65/77/73/1064657773.db2.gz FBMFXSIGZJSBPQ-FHWLQOOXSA-N 1 0 456.639 2.575 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292020069 1064659467 /nfs/dbraw/zinc/65/94/67/1064659467.db2.gz FHXIHDWQWWTQHD-QZTJIDSGSA-N 1 0 466.696 2.762 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001292022866 1064666683 /nfs/dbraw/zinc/66/66/83/1064666683.db2.gz MWWPVCNOFDTGLX-JCYRRQQNSA-N 1 0 478.682 2.947 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292023036 1064667186 /nfs/dbraw/zinc/66/71/86/1064667186.db2.gz NUJNXWFNCNKKJO-YQQAZPJKSA-N 1 0 460.545 2.694 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001292026850 1064680404 /nfs/dbraw/zinc/68/04/04/1064680404.db2.gz OFRCECZWRANGLI-JOCHJYFZSA-N 1 0 491.434 2.546 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001292028126 1064681644 /nfs/dbraw/zinc/68/16/44/1064681644.db2.gz WJYAGNYHJIGVBV-LJQANCHMSA-N 1 0 484.645 2.831 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCCn1ccnc1C ZINC001292029702 1064683121 /nfs/dbraw/zinc/68/31/21/1064683121.db2.gz DYEZXTWAUPYFRM-WIYYLYMNSA-N 1 0 456.639 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030034 1064686043 /nfs/dbraw/zinc/68/60/43/1064686043.db2.gz KKFJPMPWYKEWLK-IEBWSBKVSA-N 1 0 477.654 2.736 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292036307 1064700464 /nfs/dbraw/zinc/70/04/64/1064700464.db2.gz MZMGYRFGWNIAIX-OALUTQOASA-N 1 0 489.709 2.915 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001292046393 1064711239 /nfs/dbraw/zinc/71/12/39/1064711239.db2.gz SVNHLHGUPNHGPX-WUMKDDEVSA-N 1 0 498.672 2.673 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292046699 1064711559 /nfs/dbraw/zinc/71/15/59/1064711559.db2.gz VLROKXDPASFTPE-OAQYLSRUSA-N 1 0 473.666 2.686 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001292048255 1064713409 /nfs/dbraw/zinc/71/34/09/1064713409.db2.gz GUFLYHCYNIAUCK-KRWDZBQOSA-N 1 0 456.639 2.797 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCCO3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292053707 1064718663 /nfs/dbraw/zinc/71/86/63/1064718663.db2.gz RPAXODRWZKQQKY-GOTSBHOMSA-N 1 0 490.693 2.949 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001292055253 1064723458 /nfs/dbraw/zinc/72/34/58/1064723458.db2.gz IRYWZMXAFBDPFB-FQEVSTJZSA-N 1 0 458.607 2.835 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@H]1CCc2nccn2C1 ZINC001292060675 1064729882 /nfs/dbraw/zinc/72/98/82/1064729882.db2.gz GKWYWGBWBXYTTF-IBGZPJMESA-N 1 0 470.666 2.966 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001292062563 1064732754 /nfs/dbraw/zinc/73/27/54/1064732754.db2.gz YAMHQCRFVDOBFH-FQEVSTJZSA-N 1 0 473.666 2.520 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001292065208 1064741227 /nfs/dbraw/zinc/74/12/27/1064741227.db2.gz CVDSOHOFHOGKFH-UHFFFAOYSA-N 1 0 498.672 2.795 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1CCCC1 ZINC001292067014 1064745324 /nfs/dbraw/zinc/74/53/24/1064745324.db2.gz OQUBUKPFBDRKDI-UHFFFAOYSA-N 1 0 460.545 2.576 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292067212 1064745749 /nfs/dbraw/zinc/74/57/49/1064745749.db2.gz YSSJIOCBLDJIGD-MRXNPFEDSA-N 1 0 461.586 2.729 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CC2)OC(=O)NC32CCC2)n1CC[N@H+](C)C(C)C ZINC001292070316 1064749242 /nfs/dbraw/zinc/74/92/42/1064749242.db2.gz MCQBNXRVYQYZOW-UHFFFAOYSA-N 1 0 475.638 2.538 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292070557 1064749684 /nfs/dbraw/zinc/74/96/84/1064749684.db2.gz OCCVOSLDBYJBLF-WOJBJXKFSA-N 1 0 487.693 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001292077139 1064758637 /nfs/dbraw/zinc/75/86/37/1064758637.db2.gz WPVDIUIZWAHQSI-HFZDXXHNSA-N 1 0 481.645 2.524 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001292079363 1064762720 /nfs/dbraw/zinc/76/27/20/1064762720.db2.gz REKARVMYGYCPPI-YSIASYRMSA-N 1 0 476.622 2.679 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001292084887 1064766606 /nfs/dbraw/zinc/76/66/06/1064766606.db2.gz JPEDMOKZLCACFJ-SIKLNZKXSA-N 1 0 495.672 2.606 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292092820 1064780885 /nfs/dbraw/zinc/78/08/85/1064780885.db2.gz ZPCGNKHBEYFWLJ-FYYLOGMGSA-N 1 0 499.708 2.569 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001292093599 1064782925 /nfs/dbraw/zinc/78/29/25/1064782925.db2.gz GIHJNGJISDEPCH-YPCDYVTLSA-N 1 0 490.693 2.685 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@@H]1COCCO1 ZINC001292094232 1064783676 /nfs/dbraw/zinc/78/36/76/1064783676.db2.gz ITJGMVLQXDBOAY-IFMALSPDSA-N 1 0 476.666 2.560 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292094430 1064784300 /nfs/dbraw/zinc/78/43/00/1064784300.db2.gz KQEQIJPHZYIHCR-QUCCMNQESA-N 1 0 472.638 2.831 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1CC1([NH+](C)C)CCC1 ZINC001292094395 1064784414 /nfs/dbraw/zinc/78/44/14/1064784414.db2.gz KCZADLIEOMULPF-HXUWFJFHSA-N 1 0 485.681 2.806 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292097511 1064788755 /nfs/dbraw/zinc/78/87/55/1064788755.db2.gz RVVJDVHDAOZEND-VXKWHMMOSA-N 1 0 486.665 2.628 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001292105226 1064798159 /nfs/dbraw/zinc/79/81/59/1064798159.db2.gz LHCCBMOOMSSDED-BWKNWUBXSA-N 1 0 476.666 2.845 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292105460 1064798657 /nfs/dbraw/zinc/79/86/57/1064798657.db2.gz KXHKAIVBBRFWJW-LJQANCHMSA-N 1 0 475.682 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC1([NH+](C)C)CCC1 ZINC001292105534 1064799182 /nfs/dbraw/zinc/79/91/82/1064799182.db2.gz NIYYGKAZELCAMW-UHFFFAOYSA-N 1 0 473.588 2.755 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001292105715 1064799795 /nfs/dbraw/zinc/79/97/95/1064799795.db2.gz NWJDQOBRFNOOJZ-OAQYLSRUSA-N 1 0 487.693 2.910 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292109746 1064808386 /nfs/dbraw/zinc/80/83/86/1064808386.db2.gz KYESCMUVDSINBC-JTHBVZDNSA-N 1 0 495.672 2.735 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001292113618 1064823460 /nfs/dbraw/zinc/82/34/60/1064823460.db2.gz LBDVCMMKALVFTM-FQEVSTJZSA-N 1 0 477.654 2.595 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001292113951 1064825312 /nfs/dbraw/zinc/82/53/12/1064825312.db2.gz QMDKSJLPVFMQCT-UHFFFAOYSA-N 1 0 477.654 2.597 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292115167 1064831813 /nfs/dbraw/zinc/83/18/13/1064831813.db2.gz LEWVOYGWGBNGFJ-XMMPIXPASA-N 1 0 495.672 2.702 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cccc(NC(C)=O)c1 ZINC001292117840 1064846137 /nfs/dbraw/zinc/84/61/37/1064846137.db2.gz ZVJVPCITMJATFP-UHFFFAOYSA-N 1 0 455.607 2.734 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001292122155 1064855991 /nfs/dbraw/zinc/85/59/91/1064855991.db2.gz OMNIXQJIZXTRCV-UHFFFAOYSA-N 1 0 497.692 2.886 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCc1ccc2c(c1)OCCO2 ZINC001292124088 1064864636 /nfs/dbraw/zinc/86/46/36/1064864636.db2.gz KVJFLDLFSXVOBL-SFHVURJKSA-N 1 0 470.618 2.741 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCOc1ncccc1F ZINC001292126418 1064875592 /nfs/dbraw/zinc/87/55/92/1064875592.db2.gz PIGCYQZNWAJLFK-UHFFFAOYSA-N 1 0 473.597 2.874 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292126765 1064877536 /nfs/dbraw/zinc/87/75/36/1064877536.db2.gz TYRXZCCHJPDANJ-LJQANCHMSA-N 1 0 473.666 2.662 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001292132366 1064885231 /nfs/dbraw/zinc/88/52/31/1064885231.db2.gz AKMFWCJGRGPZSH-HSZRJFAPSA-N 1 0 495.672 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001292133888 1064890087 /nfs/dbraw/zinc/89/00/87/1064890087.db2.gz KOEOXUDZTLMQGX-SFTDATJTSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001292133887 1064890103 /nfs/dbraw/zinc/89/01/03/1064890103.db2.gz KOEOXUDZTLMQGX-RTWAWAEBSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[C@H](OC)C(F)(F)F ZINC001292134537 1064894750 /nfs/dbraw/zinc/89/47/50/1064894750.db2.gz SZTJFHFWRZJJHX-SJORKVTESA-N 1 0 460.545 2.838 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292135408 1064900198 /nfs/dbraw/zinc/90/01/98/1064900198.db2.gz KFLYBUDNVRCMOA-OTWHNJEPSA-N 1 0 464.655 2.700 20 0 JFADRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)c1ccccc1O2 ZINC001292140109 1064909064 /nfs/dbraw/zinc/90/90/64/1064909064.db2.gz OSRUPKYWTYEKBF-MZXKRHHESA-N 1 0 459.587 2.757 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3noc(C)n3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001292143505 1064912697 /nfs/dbraw/zinc/91/26/97/1064912697.db2.gz GBWXEEQDYVVBOA-LJQANCHMSA-N 1 0 488.637 2.730 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3cnn(CC)c3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001292145748 1064921377 /nfs/dbraw/zinc/92/13/77/1064921377.db2.gz WOWDXBREILKIDX-JOCHJYFZSA-N 1 0 486.665 2.723 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292145951 1064922394 /nfs/dbraw/zinc/92/23/94/1064922394.db2.gz YODBNAGGFKCIDY-IEBWSBKVSA-N 1 0 475.663 2.881 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001292147078 1064925183 /nfs/dbraw/zinc/92/51/83/1064925183.db2.gz JODDBCWGBXVJSV-SJORKVTESA-N 1 0 452.669 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292151334 1064929339 /nfs/dbraw/zinc/92/93/39/1064929339.db2.gz LWIHVVFTUVOVFR-LJQANCHMSA-N 1 0 464.680 2.639 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC001292158660 1064939128 /nfs/dbraw/zinc/93/91/28/1064939128.db2.gz DJFFNKRGSVOGIB-QFIPXVFZSA-N 1 0 462.602 2.680 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1)[NH+]1CCCC1 ZINC001292160591 1064942968 /nfs/dbraw/zinc/94/29/68/1064942968.db2.gz BNTCBKUEHAPRHP-OALUTQOASA-N 1 0 473.597 2.873 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1)[NH+]1CCCC1 ZINC001292161157 1064944925 /nfs/dbraw/zinc/94/49/25/1064944925.db2.gz FSWQZPNMFDKMNM-SFHVURJKSA-N 1 0 458.611 2.540 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)[NH+]1CCCC1 ZINC001292161874 1064947028 /nfs/dbraw/zinc/94/70/28/1064947028.db2.gz IGOLRJKQBGSLDH-NHCUHLMSSA-N 1 0 456.639 2.946 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162962 1064948761 /nfs/dbraw/zinc/94/87/61/1064948761.db2.gz LQOOUBHVYCXSAM-WOJBJXKFSA-N 1 0 488.608 2.572 20 0 JFADRO CC[C@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001292164876 1064951374 /nfs/dbraw/zinc/95/13/74/1064951374.db2.gz VTFTWARDGWYLAR-YADHBBJMSA-N 1 0 453.635 2.625 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001292165668 1064953023 /nfs/dbraw/zinc/95/30/23/1064953023.db2.gz PAKJOFAZAXTEAF-NBGIEHNGSA-N 1 0 476.666 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001292168620 1064955605 /nfs/dbraw/zinc/95/56/05/1064955605.db2.gz ZRVIRVOOAJGKEK-VAXXYWNWSA-N 1 0 464.655 2.557 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)NC(=O)OC(C)(C)C ZINC001292172156 1064958431 /nfs/dbraw/zinc/95/84/31/1064958431.db2.gz JFHVYFAHLLYYCK-ZCNNSNEGSA-N 1 0 491.681 2.838 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1)[NH+]1CCCC1 ZINC001292172213 1064958917 /nfs/dbraw/zinc/95/89/17/1064958917.db2.gz JPKJDNXEZFRMQK-CEXWTWQISA-N 1 0 495.719 2.912 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)cs2)C1)[NH+]1CCCC1 ZINC001292172214 1064958932 /nfs/dbraw/zinc/95/89/32/1064958932.db2.gz JPKJDNXEZFRMQK-GBESFXJTSA-N 1 0 495.719 2.912 20 0 JFADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+]1CCCC1 ZINC001292173314 1064961089 /nfs/dbraw/zinc/96/10/89/1064961089.db2.gz MTKUZHSCKWBIRG-PXNSSMCTSA-N 1 0 478.638 2.773 20 0 JFADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001292173341 1064961626 /nfs/dbraw/zinc/96/16/26/1064961626.db2.gz NBNHUIHZPTYJQO-HKUYNNGSSA-N 1 0 452.669 2.945 20 0 JFADRO CC[C@H](Cn1c(C)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC001292174826 1064964560 /nfs/dbraw/zinc/96/45/60/1064964560.db2.gz YYXIHPNUXFJAQZ-OAQYLSRUSA-N 1 0 491.681 2.708 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1)[NH+]1CCCC1 ZINC001292176663 1064967421 /nfs/dbraw/zinc/96/74/21/1064967421.db2.gz ZJAMKGIGFOFHPA-SJLPKXTDSA-N 1 0 481.066 2.979 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1)[NH+]1CCCC1 ZINC001292183395 1064974152 /nfs/dbraw/zinc/97/41/52/1064974152.db2.gz GCRVOEYHNJYWLF-HXUWFJFHSA-N 1 0 458.607 2.700 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC1)[NH+]1CCCC1 ZINC001292183277 1064974208 /nfs/dbraw/zinc/97/42/08/1064974208.db2.gz CDAADQQHGBGMHP-HXUWFJFHSA-N 1 0 460.648 2.916 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292184333 1064975246 /nfs/dbraw/zinc/97/52/46/1064975246.db2.gz CATJIIAKOWNNKG-WRWLIDTKSA-N 1 0 479.984 2.972 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292184924 1064975977 /nfs/dbraw/zinc/97/59/77/1064975977.db2.gz HOYKBNXYAQHJOQ-KRWDZBQOSA-N 1 0 468.023 2.716 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292191554 1064983495 /nfs/dbraw/zinc/98/34/95/1064983495.db2.gz IDUTYRHSZPLLFW-IBGZPJMESA-N 1 0 491.658 2.850 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001292195356 1064987444 /nfs/dbraw/zinc/98/74/44/1064987444.db2.gz HNRLFXQOFKPMIK-GOSISDBHSA-N 1 0 461.010 2.768 20 0 JFADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292207467 1064995834 /nfs/dbraw/zinc/99/58/34/1064995834.db2.gz LHKYJNHISIPDHG-FUHWJXTLSA-N 1 0 454.545 2.626 20 0 JFADRO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001292208925 1064998424 /nfs/dbraw/zinc/99/84/24/1064998424.db2.gz RETZGVDGEFWSIA-UYAOXDASSA-N 1 0 469.565 2.889 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)OC ZINC001292210584 1065000706 /nfs/dbraw/zinc/00/07/06/1065000706.db2.gz DZFMXPSJYATMEA-FYYLOGMGSA-N 1 0 450.587 2.929 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C)[NH+]1CCCC1 ZINC001292212194 1065002833 /nfs/dbraw/zinc/00/28/33/1065002833.db2.gz RELNWITWIFIYOX-FDFHNCONSA-N 1 0 483.661 2.890 20 0 JFADRO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)OC ZINC001292212786 1065003212 /nfs/dbraw/zinc/00/32/12/1065003212.db2.gz WLZTXKYQQLQKGQ-OKZBNKHCSA-N 1 0 453.591 2.536 20 0 JFADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001292221886 1065007736 /nfs/dbraw/zinc/00/77/36/1065007736.db2.gz BYRDNISHMXOHRJ-NHCUHLMSSA-N 1 0 492.665 2.670 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001292222920 1065009296 /nfs/dbraw/zinc/00/92/96/1065009296.db2.gz GXLZTJNZZAITAH-UXHICEINSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001292226060 1065013590 /nfs/dbraw/zinc/01/35/90/1065013590.db2.gz QRZHAXDQPSKFMD-HXUWFJFHSA-N 1 0 494.706 2.836 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001292226777 1065014303 /nfs/dbraw/zinc/01/43/03/1065014303.db2.gz XHOOUHXYBWGWDR-HBMCJLEFSA-N 1 0 492.665 2.934 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292226994 1065014621 /nfs/dbraw/zinc/01/46/21/1065014621.db2.gz VCCGNSWGDXNQAU-FGZHOGPDSA-N 1 0 454.619 2.581 20 0 JFADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001292227229 1065015172 /nfs/dbraw/zinc/01/51/72/1065015172.db2.gz WFVIPOQRGNYHMF-AZUAARDMSA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001292231748 1065018383 /nfs/dbraw/zinc/01/83/83/1065018383.db2.gz WJEAUHSWBPLYSS-QHCPKHFHSA-N 1 0 473.710 2.922 20 0 JFADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+]1CCCC1 ZINC001292231746 1065018417 /nfs/dbraw/zinc/01/84/17/1065018417.db2.gz WJEAUHSWBPLYSS-HSZRJFAPSA-N 1 0 473.710 2.922 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+]1CCCC1 ZINC001292235733 1065020270 /nfs/dbraw/zinc/02/02/70/1065020270.db2.gz JQVZVNXAWYYTPU-IFMALSPDSA-N 1 0 453.635 2.831 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+]1CCCC1 ZINC001292235734 1065020308 /nfs/dbraw/zinc/02/03/08/1065020308.db2.gz JQVZVNXAWYYTPU-IRLDBZIGSA-N 1 0 453.635 2.831 20 0 JFADRO CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCC1 ZINC001292242403 1065024905 /nfs/dbraw/zinc/02/49/05/1065024905.db2.gz KFLMOWGSLHNYSQ-PZJWPPBQSA-N 1 0 454.619 2.613 20 0 JFADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001292247951 1065030877 /nfs/dbraw/zinc/03/08/77/1065030877.db2.gz MWZHUVWWHSIUEW-IFMALSPDSA-N 1 0 487.693 2.652 20 0 JFADRO CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001292252169 1065034114 /nfs/dbraw/zinc/03/41/14/1065034114.db2.gz NVVFFLPBXXNLHS-KRWDZBQOSA-N 1 0 499.607 2.828 20 0 JFADRO CC[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292252221 1065034569 /nfs/dbraw/zinc/03/45/69/1065034569.db2.gz OPOXEVRVMJCJOQ-PZJWPPBQSA-N 1 0 461.632 2.663 20 0 JFADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292252194 1065034644 /nfs/dbraw/zinc/03/46/44/1065034644.db2.gz OBGVFLOQQLYKOV-VWNXMTODSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001292263174 1065041949 /nfs/dbraw/zinc/04/19/49/1065041949.db2.gz YSRDFXRTGLCSEN-MOPGFXCFSA-N 1 0 498.694 2.705 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001292266707 1065046268 /nfs/dbraw/zinc/04/62/68/1065046268.db2.gz GXEYOYGJVKCSDP-KRWDZBQOSA-N 1 0 481.439 2.888 20 0 JFADRO CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292284940 1065059242 /nfs/dbraw/zinc/05/92/42/1065059242.db2.gz QSYMIIQZHUGFJX-JOCHJYFZSA-N 1 0 462.683 2.718 20 0 JFADRO CCC(O)(CC)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001292288385 1065060842 /nfs/dbraw/zinc/06/08/42/1065060842.db2.gz APRPNROEHFCRMV-QHCPKHFHSA-N 1 0 482.673 2.747 20 0 JFADRO CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001292292127 1065063731 /nfs/dbraw/zinc/06/37/31/1065063731.db2.gz QUNVKNBYXXVURS-FQEVSTJZSA-N 1 0 454.619 2.662 20 0 JFADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001292292513 1065064402 /nfs/dbraw/zinc/06/44/02/1065064402.db2.gz FEHICBINYPKOTN-BVPBIZIASA-N 1 0 453.461 2.551 20 0 JFADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001292292515 1065064441 /nfs/dbraw/zinc/06/44/41/1065064441.db2.gz FEHICBINYPKOTN-RNJTYBCJSA-N 1 0 453.461 2.551 20 0 JFADRO CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)O1 ZINC001292298224 1065069176 /nfs/dbraw/zinc/06/91/76/1065069176.db2.gz UWCFHNPFNUEYIW-IMIIHFCZSA-N 1 0 489.709 2.759 20 0 JFADRO O=C(C[C@H](n1ccnc1)C(F)(F)F)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309956 1065078255 /nfs/dbraw/zinc/07/82/55/1065078255.db2.gz ZYBMQLQMMZWREP-MOPGFXCFSA-N 1 0 450.509 2.832 20 0 JFADRO CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC001292315809 1065082760 /nfs/dbraw/zinc/08/27/60/1065082760.db2.gz AMDSLOSPAAMQQD-OFVILXPXSA-N 1 0 454.619 2.658 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001292333172 1065089269 /nfs/dbraw/zinc/08/92/69/1065089269.db2.gz VDVXPXVRRBJOFM-YOSAUDMPSA-N 1 0 496.722 2.748 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001292334020 1065090006 /nfs/dbraw/zinc/09/00/06/1065090006.db2.gz ZAOCSBIVUTXRAH-YZUZCNPQSA-N 1 0 490.674 2.540 20 0 JFADRO C[NH+]1CCN(c2ncccc2CNC(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC001292351703 1065096134 /nfs/dbraw/zinc/09/61/34/1065096134.db2.gz PIOZDUWZMGAHBA-UHFFFAOYSA-N 1 0 456.344 2.780 20 0 JFADRO C[NH+](C)CCn1c2cc(NC(=O)CCCC(=O)c3ccc4c(c3)OCCO4)ccc2oc1=O ZINC001292367411 1065109517 /nfs/dbraw/zinc/10/95/17/1065109517.db2.gz CXAAABWSNWDVKS-UHFFFAOYSA-N 1 0 453.495 2.919 20 0 JFADRO CCC1(CC)CN(c2nnc(CN3CCCC3=O)n2C[C@@]2([NH+](C)C)CCSC2)CCS1 ZINC001292402836 1065138430 /nfs/dbraw/zinc/13/84/30/1065138430.db2.gz DIHGQSFDQKBBBF-NRFANRHFSA-N 1 0 466.721 2.950 20 0 JFADRO CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC001292414751 1065148375 /nfs/dbraw/zinc/14/83/75/1065148375.db2.gz UABLTYCMXCUNFM-MOPGFXCFSA-N 1 0 452.669 2.923 20 0 JFADRO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413984 1065148388 /nfs/dbraw/zinc/14/83/88/1065148388.db2.gz PNRGOSQXHNTZEJ-RZUBCFFCSA-N 1 0 476.666 2.571 20 0 JFADRO CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC001292414753 1065148438 /nfs/dbraw/zinc/14/84/38/1065148438.db2.gz UABLTYCMXCUNFM-RBUKOAKNSA-N 1 0 452.669 2.923 20 0 JFADRO CC(=O)c1cc(Br)ccc1OCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001292416983 1065150240 /nfs/dbraw/zinc/15/02/40/1065150240.db2.gz LYUXPTBLAUCCQF-UHFFFAOYSA-N 1 0 452.393 2.705 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001292455924 1065176597 /nfs/dbraw/zinc/17/65/97/1065176597.db2.gz ATUQKLOKPMDDKK-QHCPKHFHSA-N 1 0 478.645 2.849 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C)[C@H](OC)C2)[NH+](C)C)cc1 ZINC001292455926 1065176661 /nfs/dbraw/zinc/17/66/61/1065176661.db2.gz AWHGEEDREZNOLE-KDXIVRHGSA-N 1 0 454.619 2.956 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C3CC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)[NH+](C)C)cc1 ZINC001292456604 1065177892 /nfs/dbraw/zinc/17/78/92/1065177892.db2.gz GKJLSTUEOHQENG-JOCHJYFZSA-N 1 0 474.675 2.929 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)[NH+](C)C)cc1 ZINC001292456911 1065178286 /nfs/dbraw/zinc/17/82/86/1065178286.db2.gz HPVNICTXKJBXBY-QHCPKHFHSA-N 1 0 495.672 2.538 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)[NH+](C)C)cc1 ZINC001292457987 1065180842 /nfs/dbraw/zinc/18/08/42/1065180842.db2.gz MYBLRCIJFPTDPM-REWPJTCUSA-N 1 0 497.688 2.975 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292458931 1065183695 /nfs/dbraw/zinc/18/36/95/1065183695.db2.gz SNNQUFUMWLLYNU-SLFFLAALSA-N 1 0 456.635 2.825 20 0 JFADRO CCc1ccc([C@H](Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC001292458906 1065183710 /nfs/dbraw/zinc/18/37/10/1065183710.db2.gz RIVFEMHTLCPJLM-QFIPXVFZSA-N 1 0 474.675 2.883 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459937 1065186636 /nfs/dbraw/zinc/18/66/36/1065186636.db2.gz VPTVXJFVEWQVFP-GMAHTHKFSA-N 1 0 462.602 2.705 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292462125 1065191578 /nfs/dbraw/zinc/19/15/78/1065191578.db2.gz QZNNYCMQYYPMQP-RNLGNXJRSA-N 1 0 498.672 2.830 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463505 1065192868 /nfs/dbraw/zinc/19/28/68/1065192868.db2.gz XCSMAJXUAQGLLR-FCHUYYIVSA-N 1 0 454.619 2.533 20 0 JFADRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)NS(=O)(=O)c1cccnc1Cl ZINC001292470441 1065197122 /nfs/dbraw/zinc/19/71/22/1065197122.db2.gz JHSPUGQQAJVXFV-HNNXBMFYSA-N 1 0 456.971 2.521 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479738 1065203655 /nfs/dbraw/zinc/20/36/55/1065203655.db2.gz TUJZQIJOTOBXCQ-AUSIDOKSSA-N 1 0 468.646 2.657 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CCOC)cc1 ZINC001292479775 1065204189 /nfs/dbraw/zinc/20/41/89/1065204189.db2.gz UOWAIVUEKAEJDE-WMZHIEFXSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292488581 1065209756 /nfs/dbraw/zinc/20/97/56/1065209756.db2.gz OHDKKDVPUKAVFF-VWLOTQADSA-N 1 0 468.646 2.705 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001292497650 1065217225 /nfs/dbraw/zinc/21/72/25/1065217225.db2.gz HZOVJOHEBRSOIO-UHFFFAOYSA-N 1 0 474.675 2.900 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(N(C)C(C)=O)CC3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001292497858 1065217705 /nfs/dbraw/zinc/21/77/05/1065217705.db2.gz FLIAMBSINDDGSV-UHFFFAOYSA-N 1 0 468.646 2.801 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001292499558 1065219707 /nfs/dbraw/zinc/21/97/07/1065219707.db2.gz WBPVFYBTYNAZSS-UHFFFAOYSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001292506317 1065223225 /nfs/dbraw/zinc/22/32/25/1065223225.db2.gz CPIOSKVAMMKDIO-UNMCSNQZSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1 ZINC001292506017 1065223334 /nfs/dbraw/zinc/22/33/34/1065223334.db2.gz CPIOSKVAMMKDIO-IRLDBZIGSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@H]2CCC[N@H+]2CC)cc1 ZINC001292506020 1065223356 /nfs/dbraw/zinc/22/33/56/1065223356.db2.gz CPIOSKVAMMKDIO-RBBKRZOGSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001292507551 1065225902 /nfs/dbraw/zinc/22/59/02/1065225902.db2.gz KAPBBQNXPNQMLI-KNQAVFIVSA-N 1 0 474.675 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001292507553 1065225933 /nfs/dbraw/zinc/22/59/33/1065225933.db2.gz KAPBBQNXPNQMLI-UGKGYDQZSA-N 1 0 474.675 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292513217 1065232125 /nfs/dbraw/zinc/23/21/25/1065232125.db2.gz AMGQVRKYUZVNKJ-BGYRXZFFSA-N 1 0 483.661 2.857 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCCOC(F)F)cc1 ZINC001292513186 1065232206 /nfs/dbraw/zinc/23/22/06/1065232206.db2.gz ACTNIMJNRSVFIX-FQEVSTJZSA-N 1 0 476.572 2.880 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001292513611 1065233496 /nfs/dbraw/zinc/23/34/96/1065233496.db2.gz IPIKKRWKKYHHPL-NHCUHLMSSA-N 1 0 498.672 2.690 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292513612 1065233559 /nfs/dbraw/zinc/23/35/59/1065233559.db2.gz IPIKKRWKKYHHPL-OYRHEFFESA-N 1 0 498.672 2.690 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2CC2(C(N)=O)CCCC2)cc1 ZINC001292515036 1065236424 /nfs/dbraw/zinc/23/64/24/1065236424.db2.gz XNHPPMJAZNZDKK-UHFFFAOYSA-N 1 0 495.672 2.544 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)n2CCS(C)(=O)=O)cc1 ZINC001292518052 1065240800 /nfs/dbraw/zinc/24/08/00/1065240800.db2.gz LQSBFABHJDXDMB-UHFFFAOYSA-N 1 0 488.702 2.547 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001292518181 1065241868 /nfs/dbraw/zinc/24/18/68/1065241868.db2.gz MBWSIZHLKLUGET-QHCPKHFHSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001292520427 1065245359 /nfs/dbraw/zinc/24/53/59/1065245359.db2.gz IWJUFYOJRVESGK-NRFANRHFSA-N 1 0 454.619 2.581 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292520467 1065245941 /nfs/dbraw/zinc/24/59/41/1065245941.db2.gz KFLXTPCALXDMDU-SQJMNOBHSA-N 1 0 454.619 2.533 20 0 JFADRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521210 1065247270 /nfs/dbraw/zinc/24/72/70/1065247270.db2.gz DGUAEBSYJNCUNR-YYWHXJBOSA-N 1 0 458.603 2.829 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001292524093 1065248787 /nfs/dbraw/zinc/24/87/87/1065248787.db2.gz AMEHTSZTIATVDH-UGKGYDQZSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001292524948 1065250379 /nfs/dbraw/zinc/25/03/79/1065250379.db2.gz AKODPTAMTVXOPU-PKTZIBPZSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001292525622 1065251506 /nfs/dbraw/zinc/25/15/06/1065251506.db2.gz RZTYCQQUAOZAJM-SIKLNZKXSA-N 1 0 476.691 2.954 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292526753 1065252921 /nfs/dbraw/zinc/25/29/21/1065252921.db2.gz ZSCXLOQWMPFKNL-NRFANRHFSA-N 1 0 460.648 2.510 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292526754 1065253375 /nfs/dbraw/zinc/25/33/75/1065253375.db2.gz ZSCXLOQWMPFKNL-OAQYLSRUSA-N 1 0 460.648 2.510 20 0 JFADRO O=C(Nc1cccc(Br)c1)C1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC001292562699 1065275989 /nfs/dbraw/zinc/27/59/89/1065275989.db2.gz HDBZPZFEIQPRQB-UHFFFAOYSA-N 1 0 450.377 2.737 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292570734 1065282343 /nfs/dbraw/zinc/28/23/43/1065282343.db2.gz RIKQCYZGBSVJJI-FQEVSTJZSA-N 1 0 467.618 2.636 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCC(C)CC1 ZINC001292575564 1065284722 /nfs/dbraw/zinc/28/47/22/1065284722.db2.gz BTJNVVBQPROUDM-UHFFFAOYSA-N 1 0 481.645 2.883 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)Cc2cnccn2)n1CC[NH+]1CCSCC1 ZINC001292584848 1065300797 /nfs/dbraw/zinc/30/07/97/1065300797.db2.gz ZOHDJAARCPVSMA-UHFFFAOYSA-N 1 0 453.616 2.895 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292589136 1065304707 /nfs/dbraw/zinc/30/47/07/1065304707.db2.gz HYTCXLKWHVCUKJ-QNWVGRARSA-N 1 0 498.672 2.976 20 0 JFADRO CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC001292591444 1065309076 /nfs/dbraw/zinc/30/90/76/1065309076.db2.gz UOWSNMVNTZYQPS-INIZCTEOSA-N 1 0 454.518 2.873 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292593527 1065313698 /nfs/dbraw/zinc/31/36/98/1065313698.db2.gz NYFCIFDYSXOADR-BGYRXZFFSA-N 1 0 484.645 2.621 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](C)[NH+](C)C ZINC001292593956 1065314569 /nfs/dbraw/zinc/31/45/69/1065314569.db2.gz PWJVLTDMKYUWTD-WMZOPIPTSA-N 1 0 482.551 2.874 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001292597798 1065318030 /nfs/dbraw/zinc/31/80/30/1065318030.db2.gz YDSDLIJVTQIQLC-UQBPGWFLSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292597849 1065318053 /nfs/dbraw/zinc/31/80/53/1065318053.db2.gz ZAQCVGBGSIFCMF-UQBPGWFLSA-N 1 0 454.619 2.866 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292603789 1065327204 /nfs/dbraw/zinc/32/72/04/1065327204.db2.gz NWJCEINXJGGJTE-NRFANRHFSA-N 1 0 497.688 2.537 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292606619 1065332550 /nfs/dbraw/zinc/33/25/50/1065332550.db2.gz SBPYDAJRNHPYOL-TZIWHRDSSA-N 1 0 475.659 2.775 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001292611000 1065340465 /nfs/dbraw/zinc/34/04/65/1065340465.db2.gz ZPQOFBHHIAAXIH-HSZRJFAPSA-N 1 0 498.672 2.835 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001292614212 1065342532 /nfs/dbraw/zinc/34/25/32/1065342532.db2.gz DWYPIISYVYMAKJ-ICSRJNTNSA-N 1 0 456.591 2.791 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1Cc1snnc1C ZINC001292615132 1065347405 /nfs/dbraw/zinc/34/74/05/1065347405.db2.gz NXJPURNVEBZFNU-KRWDZBQOSA-N 1 0 471.631 2.785 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCSCC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292618463 1065354132 /nfs/dbraw/zinc/35/41/32/1065354132.db2.gz BLCYJLDAWRBQND-HXUWFJFHSA-N 1 0 458.676 2.999 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001292619753 1065356021 /nfs/dbraw/zinc/35/60/21/1065356021.db2.gz WLPYQKYRFWCUJT-JOCHJYFZSA-N 1 0 484.645 2.635 20 0 JFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001292634349 1065372340 /nfs/dbraw/zinc/37/23/40/1065372340.db2.gz CABBNAXHYCCBMK-OAQYLSRUSA-N 1 0 458.603 2.652 20 0 JFADRO C[NH+](C)CCN1C[C@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636182 1065374070 /nfs/dbraw/zinc/37/40/70/1065374070.db2.gz RABCDIPTOSEPCI-RDTXWAMCSA-N 1 0 455.386 2.723 20 0 JFADRO CCc1cnc(CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001292639815 1065375497 /nfs/dbraw/zinc/37/54/97/1065375497.db2.gz LYGGLKVXEJVJAH-IBGZPJMESA-N 1 0 456.620 2.747 20 0 JFADRO CCc1cnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001292649150 1065385981 /nfs/dbraw/zinc/38/59/81/1065385981.db2.gz RHOSAISLWJNJDI-UHFFFAOYSA-N 1 0 454.604 2.959 20 0 JFADRO C[NH+]1CCC(CCNC(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 ZINC001292651970 1065389124 /nfs/dbraw/zinc/38/91/24/1065389124.db2.gz XMBVFWJPMRXROQ-OAHLLOKOSA-N 1 0 456.538 2.859 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCSCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001292659354 1065394360 /nfs/dbraw/zinc/39/43/60/1065394360.db2.gz DBMMFWULNALDGY-RTBURBONSA-N 1 0 457.644 2.976 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)CC1 ZINC001292660888 1065397765 /nfs/dbraw/zinc/39/77/65/1065397765.db2.gz OIDCOHOTJIFNPF-HZPDHXFCSA-N 1 0 453.509 2.935 20 0 JFADRO C[N@H+](CCOc1cccc(CNC(=O)c2csc(S(C)(=O)=O)c2)c1)C1CCOCC1 ZINC001292705143 1065461029 /nfs/dbraw/zinc/46/10/29/1065461029.db2.gz AKUAXXHCGBZHOM-UHFFFAOYSA-N 1 0 452.598 2.571 20 0 JFADRO CCc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)no1 ZINC001292721437 1065483674 /nfs/dbraw/zinc/48/36/74/1065483674.db2.gz SFDYCKFQGSGIKL-WOIUINJBSA-N 1 0 489.665 2.932 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC001292728517 1065489500 /nfs/dbraw/zinc/48/95/00/1065489500.db2.gz ICDJZDHBCNQKTR-KRWDZBQOSA-N 1 0 456.620 2.891 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001292729630 1065491849 /nfs/dbraw/zinc/49/18/49/1065491849.db2.gz WATLBHDCNFKLBY-AEFFLSMTSA-N 1 0 468.693 2.812 20 0 JFADRO CCc1nc(CN(C)c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC001292732921 1065494718 /nfs/dbraw/zinc/49/47/18/1065494718.db2.gz MFTWCXDNOOBSPC-UHFFFAOYSA-N 1 0 468.675 2.945 20 0 JFADRO CCc1nc(CN(C)c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)cs1 ZINC001292735082 1065496745 /nfs/dbraw/zinc/49/67/45/1065496745.db2.gz YMPVASWWCMLKRF-QHCPKHFHSA-N 1 0 456.616 2.887 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001292769523 1065526873 /nfs/dbraw/zinc/52/68/73/1065526873.db2.gz ZVMCYXUORMEADC-UHFFFAOYSA-N 1 0 495.141 2.896 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001292780595 1065540104 /nfs/dbraw/zinc/54/01/04/1065540104.db2.gz FPPAFYISWJCXNJ-UHFFFAOYSA-N 1 0 483.665 2.803 20 0 JFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC001292783462 1065543941 /nfs/dbraw/zinc/54/39/41/1065543941.db2.gz RCJSFTDSIZTGGJ-XMMPIXPASA-N 1 0 459.612 2.552 20 0 JFADRO CCc1nnc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)s1 ZINC001292787025 1065550040 /nfs/dbraw/zinc/55/00/40/1065550040.db2.gz ZFBVJINIZKIYHM-GOSISDBHSA-N 1 0 471.631 2.963 20 0 JFADRO CCc1nnc(Cn2c(COc3ccccc3OC)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)s1 ZINC001292797648 1065558237 /nfs/dbraw/zinc/55/82/37/1065558237.db2.gz GMRQYTSCXYERCE-INIZCTEOSA-N 1 0 457.604 2.858 20 0 JFADRO CCc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292813824 1065564694 /nfs/dbraw/zinc/56/46/94/1065564694.db2.gz RDYNBYQQNMDINU-UHFFFAOYSA-N 1 0 463.671 2.702 20 0 JFADRO CCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001292851155 1065575565 /nfs/dbraw/zinc/57/55/65/1065575565.db2.gz CVXMHALUKHUQSW-NZQKXSOJSA-N 1 0 454.619 2.991 20 0 JFADRO Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001292877858 1065583152 /nfs/dbraw/zinc/58/31/52/1065583152.db2.gz LHTIINPBABTSOP-UHFFFAOYSA-N 1 0 453.631 2.848 20 0 JFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001292880680 1065584504 /nfs/dbraw/zinc/58/45/04/1065584504.db2.gz LBXIDUXJMAEVLG-UHFFFAOYSA-N 1 0 451.493 2.623 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892228 1065589558 /nfs/dbraw/zinc/58/95/58/1065589558.db2.gz BDFUZNJFXMCPNR-GBXCKJPGSA-N 1 0 498.672 2.869 20 0 JFADRO CCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292907485 1065599013 /nfs/dbraw/zinc/59/90/13/1065599013.db2.gz SQGFJBVPIZXAQB-BVSLBCMMSA-N 1 0 454.619 2.750 20 0 JFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3=C(C)N(C)c4ncnn4[C@@H]3C)CC2)c1C ZINC001292932376 1065621685 /nfs/dbraw/zinc/62/16/85/1065621685.db2.gz CNSYZCIKLAVZKB-GOSISDBHSA-N 1 0 453.591 2.706 20 0 JFADRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(Cn2cc(Br)cn2)on1 ZINC001292932938 1065622712 /nfs/dbraw/zinc/62/27/12/1065622712.db2.gz IKXWWDYZPGSVLH-KRWDZBQOSA-N 1 0 458.360 2.976 20 0 JFADRO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292933518 1065623116 /nfs/dbraw/zinc/62/31/16/1065623116.db2.gz VHMPULBGFSCKKX-GOSISDBHSA-N 1 0 450.628 2.692 20 0 JFADRO CCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001292938105 1065625499 /nfs/dbraw/zinc/62/54/99/1065625499.db2.gz CJGUKJZPHVYDGH-RUZDIDTESA-N 1 0 467.618 2.545 20 0 JFADRO CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292943303 1065628433 /nfs/dbraw/zinc/62/84/33/1065628433.db2.gz MPGCNLSNPSHUTG-QFIPXVFZSA-N 1 0 454.619 2.873 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292950379 1065630636 /nfs/dbraw/zinc/63/06/36/1065630636.db2.gz BQRIRXDTLITGCT-JOCHJYFZSA-N 1 0 460.667 2.863 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292950601 1065630716 /nfs/dbraw/zinc/63/07/16/1065630716.db2.gz GABDEEGXOZBYPH-UHFFFAOYSA-N 1 0 459.683 2.533 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292950380 1065630800 /nfs/dbraw/zinc/63/08/00/1065630800.db2.gz BQRIRXDTLITGCT-QFIPXVFZSA-N 1 0 460.667 2.863 20 0 JFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001292959485 1065637938 /nfs/dbraw/zinc/63/79/38/1065637938.db2.gz YKHGMIMQALUYJH-LJQANCHMSA-N 1 0 456.660 2.712 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001292961022 1065640458 /nfs/dbraw/zinc/64/04/58/1065640458.db2.gz QGBFKJVYNNXJJG-SFHVURJKSA-N 1 0 450.628 2.645 20 0 JFADRO CCc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001292961127 1065641001 /nfs/dbraw/zinc/64/10/01/1065641001.db2.gz UPVDVZXCHYTPCU-UHFFFAOYSA-N 1 0 486.583 2.771 20 0 JFADRO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292961614 1065643644 /nfs/dbraw/zinc/64/36/44/1065643644.db2.gz GZMJXXRPEVQPDH-LJQANCHMSA-N 1 0 470.666 2.731 20 0 JFADRO C[NH+](C)CCC1CCN(C(=O)c2cnc3ccc(I)cc3c2O)CC1 ZINC001292966058 1065645909 /nfs/dbraw/zinc/64/59/09/1065645909.db2.gz IUOBHNWJSBDVBH-UHFFFAOYSA-N 1 0 453.324 2.937 20 0 JFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC001292967083 1065646639 /nfs/dbraw/zinc/64/66/39/1065646639.db2.gz UMTJINAYBQACQI-CHWSQXEVSA-N 1 0 452.440 2.510 20 0 JFADRO CN(C)CC[NH+]1CCC(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC001292967432 1065646682 /nfs/dbraw/zinc/64/66/82/1065646682.db2.gz WKCRIRSNVXWNFP-UHFFFAOYSA-N 1 0 452.437 2.887 20 0 JFADRO C[N@@H+]1CCCN(CCCNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292968345 1065647305 /nfs/dbraw/zinc/64/73/05/1065647305.db2.gz NZEKYBPECHSBQY-QHCPKHFHSA-N 1 0 453.587 2.722 20 0 JFADRO C[N@@H+]1CCCN(CCCNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC001292968482 1065648228 /nfs/dbraw/zinc/64/82/28/1065648228.db2.gz QLFQNEBNGJHRNZ-UHFFFAOYSA-N 1 0 455.784 2.701 20 0 JFADRO CCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292971650 1065653877 /nfs/dbraw/zinc/65/38/77/1065653877.db2.gz ZZWVCMWHQCWUFI-OTWHNJEPSA-N 1 0 450.628 2.785 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292978713 1065659759 /nfs/dbraw/zinc/65/97/59/1065659759.db2.gz VWBWHSYERAURRP-UHFFFAOYSA-N 1 0 473.691 2.637 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292979042 1065659824 /nfs/dbraw/zinc/65/98/24/1065659824.db2.gz ZIWHGAVIFUTAJY-JOCHJYFZSA-N 1 0 472.609 2.735 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001292979550 1065661457 /nfs/dbraw/zinc/66/14/57/1065661457.db2.gz WZEXANONRJYSDJ-FQEVSTJZSA-N 1 0 471.616 2.720 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001292981075 1065665166 /nfs/dbraw/zinc/66/51/66/1065665166.db2.gz CAJRIMNQTONWGF-FCHUYYIVSA-N 1 0 484.645 2.949 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001292984850 1065667913 /nfs/dbraw/zinc/66/79/13/1065667913.db2.gz AYRBZJCVBFEUAC-JXFKEZNVSA-N 1 0 466.677 2.503 20 0 JFADRO CN(C)[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)c1c(F)cccc1Cl ZINC001292985062 1065668680 /nfs/dbraw/zinc/66/86/80/1065668680.db2.gz BSXALXWUSRLDLE-NRFANRHFSA-N 1 0 453.002 2.923 20 0 JFADRO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001292991109 1065677656 /nfs/dbraw/zinc/67/76/56/1065677656.db2.gz HONPKQZLMACWCE-QHCPKHFHSA-N 1 0 493.612 2.694 20 0 JFADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292994590 1065682635 /nfs/dbraw/zinc/68/26/35/1065682635.db2.gz LNCYXKBAGHMFLC-UHFFFAOYSA-N 1 0 462.639 2.789 20 0 JFADRO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293024217 1065696975 /nfs/dbraw/zinc/69/69/75/1065696975.db2.gz ZSECVNYCBDEUAY-SLFFLAALSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001293030718 1065700905 /nfs/dbraw/zinc/70/09/05/1065700905.db2.gz WZGIGHMOYWHHAA-OFNKIYASSA-N 1 0 488.702 2.785 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031604 1065701461 /nfs/dbraw/zinc/70/14/61/1065701461.db2.gz DHEYZEBDKQLEMZ-FYYLOGMGSA-N 1 0 451.615 2.811 20 0 JFADRO CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001293035736 1065704505 /nfs/dbraw/zinc/70/45/05/1065704505.db2.gz BSCHLFHGSUBIRI-JOCHJYFZSA-N 1 0 474.675 2.733 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293062947 1065716400 /nfs/dbraw/zinc/71/64/00/1065716400.db2.gz VLKCMSRPZFJVDL-OYRHEFFESA-N 1 0 454.619 2.692 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293078744 1065728775 /nfs/dbraw/zinc/72/87/75/1065728775.db2.gz ZAPXIEJRFSGIRW-IFMALSPDSA-N 1 0 468.646 2.966 20 0 JFADRO CCCCN(C(=O)[C@H]1CC[C@@H](Cn2cnc3c2ncnc3N)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001293079135 1065729158 /nfs/dbraw/zinc/72/91/58/1065729158.db2.gz KXKFKGZRUUZQJA-ZWKOTPCHSA-N 1 0 457.623 2.894 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293083203 1065733558 /nfs/dbraw/zinc/73/35/58/1065733558.db2.gz KEOAYUPOLZUQFP-IFMALSPDSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cscc1C(F)(F)F ZINC001293086944 1065736335 /nfs/dbraw/zinc/73/63/35/1065736335.db2.gz QUAOPMAOMGEBBM-UHFFFAOYSA-N 1 0 456.538 2.714 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001293100251 1065749622 /nfs/dbraw/zinc/74/96/22/1065749622.db2.gz YBKUGNHRUBXKMN-VQTJNVASSA-N 1 0 460.623 2.579 20 0 JFADRO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293109979 1065755359 /nfs/dbraw/zinc/75/53/59/1065755359.db2.gz YTEQOEFJIIWRJN-NRFANRHFSA-N 1 0 483.709 2.663 20 0 JFADRO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001293111757 1065758239 /nfs/dbraw/zinc/75/82/39/1065758239.db2.gz YMPBCUCRATWWGE-JOCHJYFZSA-N 1 0 476.629 2.744 20 0 JFADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCS(=O)(=O)c1ccccc1 ZINC001293113713 1065759620 /nfs/dbraw/zinc/75/96/20/1065759620.db2.gz RTNBEYFPPKNKIY-UHFFFAOYSA-N 1 0 488.702 2.699 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293115472 1065760901 /nfs/dbraw/zinc/76/09/01/1065760901.db2.gz BQOUSQKFHKLSMN-KCZVDYSFSA-N 1 0 487.718 2.831 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001293116291 1065763045 /nfs/dbraw/zinc/76/30/45/1065763045.db2.gz KQOGDYOYDXVPJN-LUKWVAJMSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293118785 1065766267 /nfs/dbraw/zinc/76/62/67/1065766267.db2.gz DTWIEBCNZJEJNL-GOTSBHOMSA-N 1 0 481.689 2.884 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001293119963 1065768487 /nfs/dbraw/zinc/76/84/87/1065768487.db2.gz OTQIHIRMJAXXCX-VXKWHMMOSA-N 1 0 461.699 2.586 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293120221 1065768943 /nfs/dbraw/zinc/76/89/43/1065768943.db2.gz FTCIFWHVSIIYIB-QFIPXVFZSA-N 1 0 467.662 2.543 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293121005 1065770639 /nfs/dbraw/zinc/77/06/39/1065770639.db2.gz VQXGVSZJGKGDIZ-SMIHKQSGSA-N 1 0 487.737 2.979 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001293121673 1065774174 /nfs/dbraw/zinc/77/41/74/1065774174.db2.gz UPFCIKWXGHCKOL-RLWLMLJZSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293123924 1065776790 /nfs/dbraw/zinc/77/67/90/1065776790.db2.gz OBHKCJSGQZPFCT-UHFFFAOYSA-N 1 0 480.661 2.502 20 0 JFADRO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001293127245 1065778238 /nfs/dbraw/zinc/77/82/38/1065778238.db2.gz JKQYJXCRIRYRHV-OAQYLSRUSA-N 1 0 475.037 2.700 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1C ZINC001293130589 1065781665 /nfs/dbraw/zinc/78/16/65/1065781665.db2.gz INFVBFCJPIUAEV-HSZRJFAPSA-N 1 0 458.626 2.762 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293130981 1065782638 /nfs/dbraw/zinc/78/26/38/1065782638.db2.gz NXNALVREVHSXRY-PZJWPPBQSA-N 1 0 454.619 2.576 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293130983 1065782777 /nfs/dbraw/zinc/78/27/77/1065782777.db2.gz NXNALVREVHSXRY-TZIWHRDSSA-N 1 0 454.619 2.576 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCO[C@@H]1CCCC[C@H]1C ZINC001293131358 1065783345 /nfs/dbraw/zinc/78/33/45/1065783345.db2.gz OUVHJXNXJBFMGU-DNVJHFABSA-N 1 0 462.683 2.667 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001293131998 1065784616 /nfs/dbraw/zinc/78/46/16/1065784616.db2.gz SVVUAGCFOXCMMC-UHFFFAOYSA-N 1 0 450.628 2.646 20 0 JFADRO CCc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1Cc1ncccc1N(C)C ZINC001293132439 1065784979 /nfs/dbraw/zinc/78/49/79/1065784979.db2.gz XNFSTOIDMSIHNR-UHFFFAOYSA-N 1 0 462.646 2.604 20 0 JFADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001293138791 1065789381 /nfs/dbraw/zinc/78/93/81/1065789381.db2.gz WRUIAXFHMHNSDV-QGZVFWFLSA-N 1 0 456.513 2.772 20 0 JFADRO CCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001293146460 1065792617 /nfs/dbraw/zinc/79/26/17/1065792617.db2.gz HCYDKVKJBWBATQ-IBGZPJMESA-N 1 0 453.509 2.613 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293173465 1065801092 /nfs/dbraw/zinc/80/10/92/1065801092.db2.gz LOJFPGVKKIPEKO-KSZLIROESA-N 1 0 450.628 2.832 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)CC2)n1 ZINC001293186579 1065811843 /nfs/dbraw/zinc/81/18/43/1065811843.db2.gz WYULJQIOUJUFBU-OXJNMPFZSA-N 1 0 456.570 2.857 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001293209143 1065842864 /nfs/dbraw/zinc/84/28/64/1065842864.db2.gz VUWFQXRBWQWQMR-QGZVFWFLSA-N 1 0 462.668 2.848 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](C(CC)CC)[NH+](C)C)CC2)n1 ZINC001293209431 1065844814 /nfs/dbraw/zinc/84/48/14/1065844814.db2.gz YQNXCENXIIJJQX-RTBURBONSA-N 1 0 476.695 2.889 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCSCC1 ZINC001293214514 1065847664 /nfs/dbraw/zinc/84/76/64/1065847664.db2.gz BIZGVLJGUWQCKQ-PMACEKPBSA-N 1 0 472.659 2.799 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293215007 1065850224 /nfs/dbraw/zinc/85/02/24/1065850224.db2.gz CUBYRUBRKPLJKU-AVRDEDQJSA-N 1 0 481.645 2.984 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001293215674 1065852720 /nfs/dbraw/zinc/85/27/20/1065852720.db2.gz DZZMXTYNUMDXCD-FQEVSTJZSA-N 1 0 484.004 2.697 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220516 1065871271 /nfs/dbraw/zinc/87/12/71/1065871271.db2.gz RTHSZBCEYRDOLH-CRAIPNDOSA-N 1 0 478.439 2.871 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220518 1065871387 /nfs/dbraw/zinc/87/13/87/1065871387.db2.gz RTHSZBCEYRDOLH-QAPCUYQASA-N 1 0 478.439 2.871 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCOCC1 ZINC001293226761 1065879383 /nfs/dbraw/zinc/87/93/83/1065879383.db2.gz CKOONKUEDQATDZ-SFHVURJKSA-N 1 0 491.434 2.533 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C2CCCC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293228555 1065882627 /nfs/dbraw/zinc/88/26/27/1065882627.db2.gz IGVRGPIEUHLUDG-QFIPXVFZSA-N 1 0 454.619 2.834 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C2CCCC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293228554 1065882680 /nfs/dbraw/zinc/88/26/80/1065882680.db2.gz IGVRGPIEUHLUDG-JOCHJYFZSA-N 1 0 454.619 2.834 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CC[NH+](CC)CC1 ZINC001293229802 1065885654 /nfs/dbraw/zinc/88/56/54/1065885654.db2.gz WXENVNTWUNKBBI-FQEVSTJZSA-N 1 0 470.618 2.799 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001293230099 1065886526 /nfs/dbraw/zinc/88/65/26/1065886526.db2.gz YCENKUFDAZJMJE-LJQANCHMSA-N 1 0 470.618 2.799 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001293230339 1065887124 /nfs/dbraw/zinc/88/71/24/1065887124.db2.gz KHCBZMUFMSPVQI-PXNSSMCTSA-N 1 0 450.591 2.523 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293240472 1065897836 /nfs/dbraw/zinc/89/78/36/1065897836.db2.gz ZYVJFJXYOYGHGV-DYESRHJHSA-N 1 0 460.573 2.984 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001293241872 1065902165 /nfs/dbraw/zinc/90/21/65/1065902165.db2.gz NWLWNAKKIAVPIK-JOCHJYFZSA-N 1 0 468.646 2.668 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293243362 1065905892 /nfs/dbraw/zinc/90/58/92/1065905892.db2.gz SBXCUCNUKASLAI-VQTJNVASSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001293243756 1065906989 /nfs/dbraw/zinc/90/69/89/1065906989.db2.gz BEHZHFDYCCXARM-AABGKKOBSA-N 1 0 489.665 2.797 20 0 JFADRO CN(C(=O)c1cc(Br)cnc1OCC1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001293253310 1065917599 /nfs/dbraw/zinc/91/75/99/1065917599.db2.gz LAEAVWKOBTYQKI-GOSISDBHSA-N 1 0 451.409 2.873 20 0 JFADRO COc1c(N)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc(Cl)c1Br ZINC001293254646 1065919028 /nfs/dbraw/zinc/91/90/28/1065919028.db2.gz ROEBTXPQKDRAOJ-CYBMUJFWSA-N 1 0 459.816 2.934 20 0 JFADRO CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001293255443 1065919818 /nfs/dbraw/zinc/91/98/18/1065919818.db2.gz UWFVFAXTXVHDCW-LJQANCHMSA-N 1 0 456.978 2.623 20 0 JFADRO COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255470 1065919949 /nfs/dbraw/zinc/91/99/49/1065919949.db2.gz VYRJYCAGWUUTCC-NZSAHSFTSA-N 1 0 458.603 2.539 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001293260037 1065923420 /nfs/dbraw/zinc/92/34/20/1065923420.db2.gz VYRMFXSHDVDKJS-NCXUSEDFSA-N 1 0 464.636 2.943 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001293260701 1065923878 /nfs/dbraw/zinc/92/38/78/1065923878.db2.gz ZQUBBMRYYGAZOK-YSTOQKLRSA-N 1 0 454.685 2.881 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(I)nn1C ZINC001293285920 1065933844 /nfs/dbraw/zinc/93/38/44/1065933844.db2.gz WNLUGNNIBITNOO-HNNXBMFYSA-N 1 0 453.328 2.546 20 0 JFADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001293287731 1065934248 /nfs/dbraw/zinc/93/42/48/1065934248.db2.gz BIIMCEDJGKGJFN-LZLYRXPVSA-N 1 0 466.677 2.948 20 0 JFADRO NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC001293339599 1065955686 /nfs/dbraw/zinc/95/56/86/1065955686.db2.gz OWPMNQCEBJYKEH-JOCHJYFZSA-N 1 0 450.583 2.793 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001293357830 1065963023 /nfs/dbraw/zinc/96/30/23/1065963023.db2.gz BEYHRWVTZJEBPK-NHCUHLMSSA-N 1 0 496.660 2.931 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293358440 1065963530 /nfs/dbraw/zinc/96/35/30/1065963530.db2.gz GSENXMQCMJDPRW-IBGZPJMESA-N 1 0 477.654 2.738 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293362529 1065965895 /nfs/dbraw/zinc/96/58/95/1065965895.db2.gz DRXTWSNKXMMLMT-UXHICEINSA-N 1 0 478.663 2.877 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001293362651 1065966371 /nfs/dbraw/zinc/96/63/71/1065966371.db2.gz FTEIIZIMYFXRTI-WBVHZDCISA-N 1 0 478.439 2.967 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001293364184 1065967770 /nfs/dbraw/zinc/96/77/70/1065967770.db2.gz DFPHUGDWTXDZAL-MSOLQXFVSA-N 1 0 456.591 2.538 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001293363826 1065967957 /nfs/dbraw/zinc/96/79/57/1065967957.db2.gz ARVHIHXYZDROST-IBGZPJMESA-N 1 0 496.582 2.838 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001293364434 1065969346 /nfs/dbraw/zinc/96/93/46/1065969346.db2.gz NNDHQBMRBHWVBB-GUDVDZBRSA-N 1 0 464.636 2.740 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293364647 1065969655 /nfs/dbraw/zinc/96/96/55/1065969655.db2.gz GQXNNRQMHXPTPT-RTBURBONSA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293366564 1065971582 /nfs/dbraw/zinc/97/15/82/1065971582.db2.gz WADJQSHEYDCCJT-OAQYLSRUSA-N 1 0 456.639 2.638 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001293369512 1065972948 /nfs/dbraw/zinc/97/29/48/1065972948.db2.gz HJJBNNMJZBJUGC-GGHGKWSUSA-N 1 0 472.659 2.868 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001293371577 1065974352 /nfs/dbraw/zinc/97/43/52/1065974352.db2.gz NFGFFOBSZFNPFJ-OALUTQOASA-N 1 0 454.685 2.601 20 0 JFADRO C[C@H]([NH2+]C1(CNC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CCOCC1)c1ccccc1 ZINC001293372071 1065974940 /nfs/dbraw/zinc/97/49/40/1065974940.db2.gz OTXKJKZSQVIKCU-AZUAARDMSA-N 1 0 458.580 2.628 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373778 1065977850 /nfs/dbraw/zinc/97/78/50/1065977850.db2.gz RKANLRRARAQROT-MSOLQXFVSA-N 1 0 471.572 2.568 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293373573 1065977879 /nfs/dbraw/zinc/97/78/79/1065977879.db2.gz QDHVFAFUNVMAIC-LEWJYISDSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293373780 1065978002 /nfs/dbraw/zinc/97/80/02/1065978002.db2.gz RKANLRRARAQROT-QZTJIDSGSA-N 1 0 471.572 2.568 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293373792 1065978747 /nfs/dbraw/zinc/97/87/47/1065978747.db2.gz RYZPUQWSUZGVJH-JOCHJYFZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001293373878 1065979361 /nfs/dbraw/zinc/97/93/61/1065979361.db2.gz SMSBBOBSOUTUOC-RCCFBDPRSA-N 1 0 471.572 2.567 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O ZINC001293376580 1065981492 /nfs/dbraw/zinc/98/14/92/1065981492.db2.gz CVHCCLPDTGFHEJ-DJIMGWMZSA-N 1 0 486.593 2.673 20 0 JFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@@H](C)C1 ZINC001293377335 1065981840 /nfs/dbraw/zinc/98/18/40/1065981840.db2.gz SVDPFKWMSVEHKS-FUHWJXTLSA-N 1 0 459.591 2.507 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293378784 1065982839 /nfs/dbraw/zinc/98/28/39/1065982839.db2.gz LUDRTQYDLIFUCY-KJJMTIBFSA-N 1 0 497.706 2.670 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293380071 1065985078 /nfs/dbraw/zinc/98/50/78/1065985078.db2.gz VRTRJCCBYSEUJJ-RQTOMXEWSA-N 1 0 476.666 2.688 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001293388087 1065988998 /nfs/dbraw/zinc/98/89/98/1065988998.db2.gz YJJRSQNCKZNVPB-IAGOWNOFSA-N 1 0 466.677 2.635 20 0 JFADRO CC[C@@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)CCOC ZINC001293415800 1066000075 /nfs/dbraw/zinc/00/00/75/1066000075.db2.gz LDBFTELOGYBCTQ-GOSISDBHSA-N 1 0 463.652 2.504 20 0 JFADRO CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCN(CC)CC2)CC1 ZINC001293447670 1066009682 /nfs/dbraw/zinc/00/96/82/1066009682.db2.gz AQTWJKKQEKOMIA-UHFFFAOYSA-N 1 0 468.650 2.970 20 0 JFADRO COCCn1cc(N2C[C@H](C(=O)NCC3([NH2+][C@@H](C)c4ccccc4)CCCC3)CC2=O)cn1 ZINC001293487027 1066024132 /nfs/dbraw/zinc/02/41/32/1066024132.db2.gz ZOVCXQHPPXVBOT-PZJWPPBQSA-N 1 0 453.587 2.662 20 0 JFADRO C[C@H]([NH2+]C1(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CCCC1)c1ccccc1 ZINC001293488203 1066024447 /nfs/dbraw/zinc/02/44/47/1066024447.db2.gz NCJJHSPACQADLN-LAUBAEHRSA-N 1 0 454.546 2.579 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001293499732 1066026815 /nfs/dbraw/zinc/02/68/15/1066026815.db2.gz INBZUNIGWSIUKS-GHTZIAJQSA-N 1 0 453.649 2.796 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC001293506657 1066030400 /nfs/dbraw/zinc/03/04/00/1066030400.db2.gz DVGZODKNGAIAEG-GOSISDBHSA-N 1 0 498.550 2.910 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1CCOC ZINC001293506658 1066030696 /nfs/dbraw/zinc/03/06/96/1066030696.db2.gz DVGZODKNGAIAEG-SFHVURJKSA-N 1 0 498.550 2.910 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CC[N@@H+]1CCOC ZINC001293508001 1066032388 /nfs/dbraw/zinc/03/23/88/1066032388.db2.gz UVSDAEHPNAOREO-SFHVURJKSA-N 1 0 490.649 2.970 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001293508848 1066033173 /nfs/dbraw/zinc/03/31/73/1066033173.db2.gz FTBMBZGQJSBAIJ-WOJBJXKFSA-N 1 0 486.690 2.531 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)CCS1 ZINC001293510536 1066035829 /nfs/dbraw/zinc/03/58/29/1066035829.db2.gz POTGVTHGFSGNAU-JOCHJYFZSA-N 1 0 485.702 2.566 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CC)C1)[N@@H+]1CCc2ccccc2C1 ZINC001293510884 1066036813 /nfs/dbraw/zinc/03/68/13/1066036813.db2.gz UMLUGJVPNSCHEI-YADHBBJMSA-N 1 0 454.619 2.868 20 0 JFADRO 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CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001293736662 1066198032 /nfs/dbraw/zinc/19/80/32/1066198032.db2.gz UNDYTDHXWCJAIK-FGZHOGPDSA-N 1 0 481.645 2.702 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293743715 1066211142 /nfs/dbraw/zinc/21/11/42/1066211142.db2.gz UCXXFZVNAGQRKL-HXOBKFHXSA-N 1 0 461.010 2.550 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293744107 1066212695 /nfs/dbraw/zinc/21/26/95/1066212695.db2.gz VXTWBDOUHLKNED-YADHBBJMSA-N 1 0 497.688 2.865 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C[N@H+](C)CC)c2)C1 ZINC001293748829 1066220365 /nfs/dbraw/zinc/22/03/65/1066220365.db2.gz AERIHQAVURMFGW-VXKWHMMOSA-N 1 0 481.645 2.614 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293756383 1066236316 /nfs/dbraw/zinc/23/63/16/1066236316.db2.gz RBWRARQYFVFAER-BDTNDASRSA-N 1 0 487.693 2.654 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001293756494 1066237329 /nfs/dbraw/zinc/23/73/29/1066237329.db2.gz SAXGCOMRNAILJQ-QNWVGRARSA-N 1 0 483.661 2.648 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001293757695 1066238750 /nfs/dbraw/zinc/23/87/50/1066238750.db2.gz YLKDVYCHUCUUGU-LEWJYISDSA-N 1 0 473.666 2.550 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001293776165 1066269026 /nfs/dbraw/zinc/26/90/26/1066269026.db2.gz ZNRIGBFNVZAUET-ICSRJNTNSA-N 1 0 458.607 2.953 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293785254 1066283883 /nfs/dbraw/zinc/28/38/83/1066283883.db2.gz MMXGROMBVLVSOU-BXKMTCNYSA-N 1 0 493.027 2.937 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001293786050 1066286821 /nfs/dbraw/zinc/28/68/21/1066286821.db2.gz DJSVVYXCHFUAHS-FYYLOGMGSA-N 1 0 483.661 2.830 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293786090 1066287220 /nfs/dbraw/zinc/28/72/20/1066287220.db2.gz DVFBUCRAEFTXDR-YADHBBJMSA-N 1 0 483.661 2.830 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001293786750 1066289634 /nfs/dbraw/zinc/28/96/34/1066289634.db2.gz JWWTWHOWUDRINA-DVECYGJZSA-N 1 0 471.675 2.910 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293787837 1066294135 /nfs/dbraw/zinc/29/41/35/1066294135.db2.gz DXPSSJNJBOHBOH-VXKWHMMOSA-N 1 0 490.693 2.888 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001293790318 1066299348 /nfs/dbraw/zinc/29/93/48/1066299348.db2.gz XANLTTHWVWRXAL-LEWJYISDSA-N 1 0 462.683 2.968 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293792326 1066300378 /nfs/dbraw/zinc/30/03/78/1066300378.db2.gz AZJQEAKTOGAYRC-JOCHJYFZSA-N 1 0 497.688 2.632 20 0 JFADRO CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293798548 1066309743 /nfs/dbraw/zinc/30/97/43/1066309743.db2.gz SRWFPLAUHXRAPL-WNCULLNHSA-N 1 0 497.688 2.915 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001293822514 1066330637 /nfs/dbraw/zinc/33/06/37/1066330637.db2.gz VALQIDBXOKXZLE-CZZAQMAHSA-N 1 0 483.661 2.579 20 0 JFADRO CCC[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001293823162 1066331646 /nfs/dbraw/zinc/33/16/46/1066331646.db2.gz PGOTUNRJQKPPMB-RUZDIDTESA-N 1 0 470.666 2.781 20 0 JFADRO CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293833690 1066337857 /nfs/dbraw/zinc/33/78/57/1066337857.db2.gz GBTJCNPCTIKDIC-NLFFAJNJSA-N 1 0 474.625 2.764 20 0 JFADRO CCC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001293835503 1066339877 /nfs/dbraw/zinc/33/98/77/1066339877.db2.gz KXAOJVILEAJDPY-CUNXSJBXSA-N 1 0 498.672 2.768 20 0 JFADRO CCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293837286 1066342243 /nfs/dbraw/zinc/34/22/43/1066342243.db2.gz SIWOAQYMDWQZQJ-YIXXDRMTSA-N 1 0 498.672 2.768 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001293856972 1066364210 /nfs/dbraw/zinc/36/42/10/1066364210.db2.gz OZSFQGMZLCZGGP-NHCUHLMSSA-N 1 0 478.645 2.942 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)Cc3cncn3Cc3ccccc3)CC2)CC1 ZINC001293860659 1066368691 /nfs/dbraw/zinc/36/86/91/1066368691.db2.gz NKRJJXOXATYKNB-UHFFFAOYSA-N 1 0 451.615 2.655 20 0 JFADRO CC(C)Cn1ncc2cc(C(=O)N3CCC(CC(=O)N4CCC([NH+](C)C)CC4)CC3)cnc21 ZINC001293861571 1066370539 /nfs/dbraw/zinc/37/05/39/1066370539.db2.gz VGFCCCOKEPQNJU-UHFFFAOYSA-N 1 0 454.619 2.882 20 0 JFADRO CC[C@H](C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001293862004 1066371605 /nfs/dbraw/zinc/37/16/05/1066371605.db2.gz WKCAVOQEKVNNRK-HXUWFJFHSA-N 1 0 452.640 2.813 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001293870130 1066382164 /nfs/dbraw/zinc/38/21/64/1066382164.db2.gz SAGZCJLHHSQLMA-NRFANRHFSA-N 1 0 480.661 2.990 20 0 JFADRO COc1cc(CCc2cc(NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n[nH]2)cc(OC)c1 ZINC001293886535 1066389711 /nfs/dbraw/zinc/38/97/11/1066389711.db2.gz IPGNQGXLCRHNJZ-RUZDIDTESA-N 1 0 450.539 2.788 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001293890220 1066392028 /nfs/dbraw/zinc/39/20/28/1066392028.db2.gz XSFAEIDJYBOSDR-TUFLPTIASA-N 1 0 484.711 2.604 20 0 JFADRO Cc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c(OCC[NH+](C)C)c1 ZINC001293915091 1066399196 /nfs/dbraw/zinc/39/91/96/1066399196.db2.gz XGXDRGVJUDLLOZ-UHFFFAOYSA-N 1 0 454.571 2.828 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001293920386 1066400690 /nfs/dbraw/zinc/40/06/90/1066400690.db2.gz AOUQJAGAIZVDPW-RCCFBDPRSA-N 1 0 484.692 2.600 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001293930573 1066409363 /nfs/dbraw/zinc/40/93/63/1066409363.db2.gz CTFXRFYFLALXSC-PWRODBHTSA-N 1 0 475.682 2.812 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001293934461 1066415063 /nfs/dbraw/zinc/41/50/63/1066415063.db2.gz XZXYBCORMBPTIB-LEWJYISDSA-N 1 0 487.693 2.910 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001293939092 1066423515 /nfs/dbraw/zinc/42/35/15/1066423515.db2.gz UMBBZTIMXIVANN-QKNQBKEWSA-N 1 0 456.639 2.684 20 0 JFADRO CCCC(O)(CCC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001293996742 1066498794 /nfs/dbraw/zinc/49/87/94/1066498794.db2.gz LPUGBWJWFHRYEV-SFHVURJKSA-N 1 0 472.700 2.530 20 0 JFADRO CCCC(O)(CCC)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001294012923 1066508456 /nfs/dbraw/zinc/50/84/56/1066508456.db2.gz PARDAIFTLWDGST-OAQYLSRUSA-N 1 0 459.639 2.907 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294058528 1066531296 /nfs/dbraw/zinc/53/12/96/1066531296.db2.gz RGFSVZZVVLWGHR-OALUTQOASA-N 1 0 476.588 2.602 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2NC(=O)CC2(C)C)CC[N@@H+]1CCOC ZINC001294068729 1066539102 /nfs/dbraw/zinc/53/91/02/1066539102.db2.gz XDWJHOKOPVUWDG-OALUTQOASA-N 1 0 490.052 2.845 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294074360 1066543380 /nfs/dbraw/zinc/54/33/80/1066543380.db2.gz RMEKSDJIEPGPKT-YADARESESA-N 1 0 475.659 2.759 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294074583 1066543816 /nfs/dbraw/zinc/54/38/16/1066543816.db2.gz TZDFAYXOLVONJK-YADARESESA-N 1 0 461.582 2.827 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC[N@@H+]1CCOC ZINC001294075078 1066544068 /nfs/dbraw/zinc/54/40/68/1066544068.db2.gz XPLYVLVZQGGGRO-OAQYLSRUSA-N 1 0 480.617 2.760 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CC[N@@H+]1CCOC ZINC001294075807 1066544954 /nfs/dbraw/zinc/54/49/54/1066544954.db2.gz CFVLMVBRGKKGRJ-GOSISDBHSA-N 1 0 456.982 2.769 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2c(C)cccc2C)CC[N@@H+]1CCOC ZINC001294076296 1066544980 /nfs/dbraw/zinc/54/49/80/1066544980.db2.gz HLZQSBHAHIPJGR-QFIPXVFZSA-N 1 0 494.644 2.871 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(Cl)nc2)CC[N@@H+]1CCOC ZINC001294075808 1066545030 /nfs/dbraw/zinc/54/50/30/1066545030.db2.gz CFVLMVBRGKKGRJ-SFHVURJKSA-N 1 0 456.982 2.769 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001294081713 1066549582 /nfs/dbraw/zinc/54/95/82/1066549582.db2.gz NWFCOAAAQMTROY-ZWKOTPCHSA-N 1 0 497.566 2.771 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@@H+]1CCOC ZINC001294082431 1066551501 /nfs/dbraw/zinc/55/15/01/1066551501.db2.gz REKFVFBIBVNCHH-PZJWPPBQSA-N 1 0 458.607 2.561 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@@H+]1CCOC ZINC001294082429 1066551555 /nfs/dbraw/zinc/55/15/55/1066551555.db2.gz REKFVFBIBVNCHH-CTNGQTDRSA-N 1 0 458.607 2.561 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294082601 1066551813 /nfs/dbraw/zinc/55/18/13/1066551813.db2.gz MDXWMIUJKILHKV-JKSUJKDBSA-N 1 0 460.545 2.755 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001294082977 1066552343 /nfs/dbraw/zinc/55/23/43/1066552343.db2.gz UJKMTNSUXJNHKD-YCRNBWNJSA-N 1 0 463.648 2.688 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001294085533 1066555908 /nfs/dbraw/zinc/55/59/08/1066555908.db2.gz UAKBWGWVGNCKLH-PKOBYXMFSA-N 1 0 494.562 2.826 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294092057 1066563041 /nfs/dbraw/zinc/56/30/41/1066563041.db2.gz SVSBUKKJVBJAPL-JTHBVZDNSA-N 1 0 486.636 2.956 20 0 JFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000024750509 563020346 /nfs/dbraw/zinc/02/03/46/563020346.db2.gz SZKACJCEIUTSMT-UHFFFAOYSA-N 1 0 486.638 2.719 20 0 JFADRO F[C@]1(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390422 718823212 /nfs/dbraw/zinc/82/32/12/718823212.db2.gz OMYSSCQDAAIMOQ-FIKGOQFSSA-N 1 0 452.361 2.984 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164391077 718824624 /nfs/dbraw/zinc/82/46/24/718824624.db2.gz SMSAHWAMWKPART-IRXDYDNUSA-N 1 0 459.616 2.729 20 0 JFADRO F[C@@]1(N2CCN3CC[NH2+]C[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164398677 718835880 /nfs/dbraw/zinc/83/58/80/718835880.db2.gz JJIGKPGUGOTOBM-IIBYNOLFSA-N 1 0 451.377 2.511 20 0 JFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCCO[C@]5(C[NH2+]CCOC5)C3)n2)CCC4)CC1 ZINC001164426174 718916027 /nfs/dbraw/zinc/91/60/27/718916027.db2.gz XTKHUNPUMFIKIT-RUZDIDTESA-N 1 0 471.671 2.997 20 0 JFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@]3(C(F)(F)F)C[NH2+]C[C@]3(C(=O)OCC)C2)c(Cl)n1 ZINC001164432625 718970549 /nfs/dbraw/zinc/97/05/49/718970549.db2.gz HXWKWEYEENRYKL-IAGOWNOFSA-N 1 0 485.837 2.978 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164433043 718970761 /nfs/dbraw/zinc/97/07/61/718970761.db2.gz JAQUYDKPKWOZTD-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164615960 719007694 /nfs/dbraw/zinc/00/76/94/719007694.db2.gz KEJGGLPUSIEWJY-AOMKIAJQSA-N 1 0 499.990 2.661 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164620853 719011772 /nfs/dbraw/zinc/01/17/72/719011772.db2.gz ZSPKMEDYNTWZNK-JXFKEZNVSA-N 1 0 491.988 2.833 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164614134 719012352 /nfs/dbraw/zinc/01/23/52/719012352.db2.gz CQCHCCNVIOOMLN-XIRDDKMYSA-N 1 0 480.899 2.762 20 0 JFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164614132 719012605 /nfs/dbraw/zinc/01/26/05/719012605.db2.gz CQCHCCNVIOOMLN-PVAVHDDUSA-N 1 0 480.899 2.762 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)CC1 ZINC001164617172 719031911 /nfs/dbraw/zinc/03/19/11/719031911.db2.gz ISZLEEMHMMHZBL-UHFFFAOYSA-N 1 0 464.632 2.500 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCC[C@H](C(=O)OCC)C4)nn3)CC2)CC1 ZINC001164617126 719032280 /nfs/dbraw/zinc/03/22/80/719032280.db2.gz HCZNCQLJTWZEIP-FQEVSTJZSA-N 1 0 473.618 2.500 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629586 719090108 /nfs/dbraw/zinc/09/01/08/719090108.db2.gz SRYDUWCHXBYGCW-UNMCSNQZSA-N 1 0 451.571 2.591 20 0 JFADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164632991 719143352 /nfs/dbraw/zinc/14/33/52/719143352.db2.gz QSNBPZLTWUHUCE-KCWPFWIISA-N 1 0 461.610 2.588 20 0 JFADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@@H]2c2ccccc2)C1=O ZINC001164635948 719144009 /nfs/dbraw/zinc/14/40/09/719144009.db2.gz XSEVHCNBKTZTAN-KCWPFWIISA-N 1 0 461.610 2.587 20 0 JFADRO C[NH+]1CCN(c2cccc(N3CCc4c(c(COc5cccnc5)nn4CC4CC4)C3)n2)CC1 ZINC001164656035 719323451 /nfs/dbraw/zinc/32/34/51/719323451.db2.gz UOZFQLIKDOQWPL-UHFFFAOYSA-N 1 0 459.598 2.977 20 0 JFADRO Cc1sc2nc(CN3CCCC3)nc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)c2c1C ZINC001164654689 719327366 /nfs/dbraw/zinc/32/73/66/719327366.db2.gz MQZJJWHEEAMTJN-UHFFFAOYSA-N 1 0 476.628 2.504 20 0 JFADRO CC(C)N(c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1)c1ncnc2c1CC[NH2+]CC2 ZINC001164663214 719344675 /nfs/dbraw/zinc/34/46/75/719344675.db2.gz WVOYUBISJOLNHT-IBGZPJMESA-N 1 0 495.672 2.905 20 0 JFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164663482 719347480 /nfs/dbraw/zinc/34/74/80/719347480.db2.gz IFPPWVGTDAFEFQ-UHFFFAOYSA-N 1 0 458.614 2.581 20 0 JFADRO CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)n1 ZINC001164665356 719357256 /nfs/dbraw/zinc/35/72/56/719357256.db2.gz VBYHLTWNCYMHFW-SANMLTNESA-N 1 0 481.645 2.536 20 0 JFADRO CN(C)c1nccc(N2CCOC[C@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)n1 ZINC001164665431 719357697 /nfs/dbraw/zinc/35/76/97/719357697.db2.gz XCIDWJJWNXDXHP-VWLOTQADSA-N 1 0 451.619 2.657 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164671659 719443814 /nfs/dbraw/zinc/44/38/14/719443814.db2.gz QOEWDKRKLZNRDB-DLBZAZTESA-N 1 0 459.616 2.682 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2c1C ZINC001164671662 719444392 /nfs/dbraw/zinc/44/43/92/719444392.db2.gz QOEWDKRKLZNRDB-IAGOWNOFSA-N 1 0 459.616 2.682 20 0 JFADRO CCc1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc(N2CCOCC2)[nH+]1 ZINC001164672700 719514391 /nfs/dbraw/zinc/51/43/91/719514391.db2.gz MWFDCYIZGBCOML-UHFFFAOYSA-N 1 0 455.578 2.886 20 0 JFADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164677446 719550544 /nfs/dbraw/zinc/55/05/44/719550544.db2.gz NCQVQXKRSBWIRF-QFIPXVFZSA-N 1 0 450.583 2.530 20 0 JFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164683916 719608615 /nfs/dbraw/zinc/60/86/15/719608615.db2.gz LICZXOBLSIWAQF-UHFFFAOYSA-N 1 0 479.610 2.648 20 0 JFADRO CC(C)N(C)Cc1nn(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c2c1CC[NH2+]C2 ZINC001164680613 719642904 /nfs/dbraw/zinc/64/29/04/719642904.db2.gz YKBIDCBVGSWCER-UHFFFAOYSA-N 1 0 464.593 2.614 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)c2ccccc21 ZINC001164685354 719658132 /nfs/dbraw/zinc/65/81/32/719658132.db2.gz ZIGCNLWPUXYKGK-GOSISDBHSA-N 1 0 470.017 2.927 20 0 JFADRO COc1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(OC)n1 ZINC001164684623 719662453 /nfs/dbraw/zinc/66/24/53/719662453.db2.gz YIUSHWQTJRPAJC-GOSISDBHSA-N 1 0 453.587 2.587 20 0 JFADRO COc1nc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164679966 719662472 /nfs/dbraw/zinc/66/24/72/719662472.db2.gz BNBPVWBTAQRMSB-MRXNPFEDSA-N 1 0 458.994 2.627 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(-n4ccnc4)nn3)CC2)c2ccccc21 ZINC001164681470 719673026 /nfs/dbraw/zinc/67/30/26/719673026.db2.gz LGZCECTYGHAEDF-FQEVSTJZSA-N 1 0 459.598 2.756 20 0 JFADRO CCNC(=O)c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680509 719673387 /nfs/dbraw/zinc/67/33/87/719673387.db2.gz GUNWHCBZZYYXGU-HXUWFJFHSA-N 1 0 463.626 2.925 20 0 JFADRO CCNC(=O)c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680508 719673615 /nfs/dbraw/zinc/67/36/15/719673615.db2.gz GUNWHCBZZYYXGU-FQEVSTJZSA-N 1 0 463.626 2.925 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3C(C)(C)C(=O)N4)CC2)c2ccccc21 ZINC001164681461 719676505 /nfs/dbraw/zinc/67/65/05/719676505.db2.gz KVEYDTGSWWOUQP-SFHVURJKSA-N 1 0 476.625 2.800 20 0 JFADRO CN1CC2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)COc2ccccc2S1(=O)=O ZINC001164691355 719779179 /nfs/dbraw/zinc/77/91/79/719779179.db2.gz NQCKJFHOCJSXNZ-UHFFFAOYSA-N 1 0 456.612 2.976 20 0 JFADRO O=S(=O)(c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1)N1CCCC1 ZINC001164707756 719900768 /nfs/dbraw/zinc/90/07/68/719900768.db2.gz XMYYKUNHWRLVFA-UHFFFAOYSA-N 1 0 462.641 2.799 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164810354 720086304 /nfs/dbraw/zinc/08/63/04/720086304.db2.gz LDRLYLXQZUBLSH-LAUBAEHRSA-N 1 0 471.980 2.696 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814784 720095008 /nfs/dbraw/zinc/09/50/08/720095008.db2.gz WPPWSJBCLMTLRL-NLFFAJNJSA-N 1 0 481.622 2.853 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164712953 720098215 /nfs/dbraw/zinc/09/82/15/720098215.db2.gz ZBQICPYBFSADJU-DEOSSOPVSA-N 1 0 451.615 2.816 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164711252 720135927 /nfs/dbraw/zinc/13/59/27/720135927.db2.gz GKZSBGBERIHQGC-GOSISDBHSA-N 1 0 458.994 2.861 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nnc(Cl)c3c1N(C)CCO3)CC2 ZINC001164711254 720136870 /nfs/dbraw/zinc/13/68/70/720136870.db2.gz GKZSBGBERIHQGC-SFHVURJKSA-N 1 0 458.994 2.861 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc3cc(C(=O)OC)n(C)c3n1)CC2 ZINC001164712249 720138230 /nfs/dbraw/zinc/13/82/30/720138230.db2.gz LSVPLTRHENBXLN-HXUWFJFHSA-N 1 0 464.570 2.657 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164713099 720150070 /nfs/dbraw/zinc/15/00/70/720150070.db2.gz QVOMSVDZLXYISC-NRFANRHFSA-N 1 0 454.644 2.932 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001164815944 720158100 /nfs/dbraw/zinc/15/81/00/720158100.db2.gz IZKLKEWVGZPRNX-SQJMNOBHSA-N 1 0 481.622 2.853 20 0 JFADRO CCOC(=O)c1cnc(Cl)c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1Cl ZINC001164717058 720173461 /nfs/dbraw/zinc/17/34/61/720173461.db2.gz KAKDISVUEGGKGG-INIZCTEOSA-N 1 0 483.400 2.910 20 0 JFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164815570 720174238 /nfs/dbraw/zinc/17/42/38/720174238.db2.gz IIHMWHLWWNVFMC-CVDCTZTESA-N 1 0 450.649 2.733 20 0 JFADRO COc1ccc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)n1 ZINC001164718771 720180756 /nfs/dbraw/zinc/18/07/56/720180756.db2.gz QVSMNGKIBRSZOP-MRXNPFEDSA-N 1 0 456.925 2.633 20 0 JFADRO Cn1nnc2c1CCN(c1cc(C(=O)Nc3ccccc3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719185 720183814 /nfs/dbraw/zinc/18/38/14/720183814.db2.gz UAPIWAAQKNCIOM-QFIPXVFZSA-N 1 0 461.570 2.679 20 0 JFADRO Cc1nc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(Cl)c1C ZINC001164716571 720187959 /nfs/dbraw/zinc/18/79/59/720187959.db2.gz HXECNNKSPLMPAO-MRXNPFEDSA-N 1 0 455.941 2.636 20 0 JFADRO Cn1nnc2c1CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713723 720194893 /nfs/dbraw/zinc/19/48/93/720194893.db2.gz CQQVDBZCSWNQFB-IBGZPJMESA-N 1 0 457.579 2.773 20 0 JFADRO Cn1nnc2c1CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713725 720195460 /nfs/dbraw/zinc/19/54/60/720195460.db2.gz CQQVDBZCSWNQFB-LJQANCHMSA-N 1 0 457.579 2.773 20 0 JFADRO Cc1nc2sc3c(c2c(N2CCc4c(nnn4C)[C@@H]2COCC[NH+]2CCCC2)n1)CCC3 ZINC001164715655 720195908 /nfs/dbraw/zinc/19/59/08/720195908.db2.gz LZMIAMGILRTFAR-SFHVURJKSA-N 1 0 453.616 2.833 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813263 720204774 /nfs/dbraw/zinc/20/47/74/720204774.db2.gz NXEZKSXZYXSWGA-APWZRJJASA-N 1 0 463.978 2.868 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)NCc1ccccc1)CCC2 ZINC001164813997 720212268 /nfs/dbraw/zinc/21/22/68/720212268.db2.gz RORZHUKHMAWNHL-UHFFFAOYSA-N 1 0 460.582 2.819 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CCC2 ZINC001164812096 720221839 /nfs/dbraw/zinc/22/18/39/720221839.db2.gz DGXVICUOIAUYDW-IBGZPJMESA-N 1 0 487.008 2.986 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CCC2 ZINC001164814032 720236458 /nfs/dbraw/zinc/23/64/58/720236458.db2.gz TZSSDTGEXYNWQO-LJQANCHMSA-N 1 0 452.603 2.761 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CCC2 ZINC001164814027 720237553 /nfs/dbraw/zinc/23/75/53/720237553.db2.gz TZSSDTGEXYNWQO-IBGZPJMESA-N 1 0 452.603 2.761 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1Cl ZINC001164820157 720305888 /nfs/dbraw/zinc/30/58/88/720305888.db2.gz GXYOACVHXTYJST-IRXDYDNUSA-N 1 0 470.948 2.978 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827432 720315922 /nfs/dbraw/zinc/31/59/22/720315922.db2.gz XSPYUUVXXDEJIJ-ZWKOTPCHSA-N 1 0 470.948 2.978 20 0 JFADRO 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COC(=O)c1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc2c1OC ZINC001164825227 720346370 /nfs/dbraw/zinc/34/63/70/720346370.db2.gz JBLUDJYNZDGEMQ-LEWJYISDSA-N 1 0 466.582 2.942 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c(Cl)ncnc32)CC1 ZINC001164831592 720347914 /nfs/dbraw/zinc/34/79/14/720347914.db2.gz YWJWPVAOVOWLTG-KBPBESRZSA-N 1 0 450.374 2.638 20 0 JFADRO Cc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164828747 720348536 /nfs/dbraw/zinc/34/85/36/720348536.db2.gz POTHYKIEFMCFDG-VXKWHMMOSA-N 1 0 462.598 2.949 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001164830264 720355734 /nfs/dbraw/zinc/35/57/34/720355734.db2.gz VPTFHLHIVRWDJU-IRXDYDNUSA-N 1 0 483.444 2.532 20 0 JFADRO Cc1nc(CN2CCN(C)C3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC3)C2=O)cs1 ZINC001164826943 720380421 /nfs/dbraw/zinc/38/04/21/720380421.db2.gz YXLIKVPZFBGKML-UHFFFAOYSA-N 1 0 454.644 2.754 20 0 JFADRO 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2.737 20 0 JFADRO O=C(c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164906868 721555899 /nfs/dbraw/zinc/55/58/99/721555899.db2.gz LGNGVNVQOKYDJB-ICSRJNTNSA-N 1 0 460.937 2.688 20 0 JFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164905313 721556230 /nfs/dbraw/zinc/55/62/30/721556230.db2.gz GPZDICCDHXSRTE-TZIWHRDSSA-N 1 0 462.591 2.887 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2cc1OC(C)=O ZINC001164805398 721569116 /nfs/dbraw/zinc/56/91/16/721569116.db2.gz NNPSUJFGSGUJDY-OTNCWRBYSA-N 1 0 491.548 2.744 20 0 JFADRO CN(C)C(=O)[C@H]1CC12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)CC2 ZINC001164903567 721570188 /nfs/dbraw/zinc/57/01/88/721570188.db2.gz CPHZXGJNOKKXLG-UYAOXDASSA-N 1 0 471.646 2.575 20 0 JFADRO O=C(c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1)N1CCOCC1 ZINC001164907082 721585844 /nfs/dbraw/zinc/58/58/44/721585844.db2.gz RANAVRLOSOOOBZ-QHCPKHFHSA-N 1 0 457.525 2.687 20 0 JFADRO Cc1cccc(CN2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2=O)n1 ZINC001164797591 721602853 /nfs/dbraw/zinc/60/28/53/721602853.db2.gz CEDXLONDUSPLQY-GOTSBHOMSA-N 1 0 465.598 2.514 20 0 JFADRO COC(=O)c1cc2cnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2n1C ZINC001164906237 721721663 /nfs/dbraw/zinc/72/16/63/721721663.db2.gz LKZZPDGYCPJEIJ-QFIPXVFZSA-N 1 0 456.497 2.888 20 0 JFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]12 ZINC001165013675 721753919 /nfs/dbraw/zinc/75/39/19/721753919.db2.gz QBUROEOCJUWRGJ-SMIHKQSGSA-N 1 0 479.625 2.542 20 0 JFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]21 ZINC001165013677 721753947 /nfs/dbraw/zinc/75/39/47/721753947.db2.gz QBUROEOCJUWRGJ-WXFUMESZSA-N 1 0 479.625 2.542 20 0 JFADRO O=C([C@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2)N1CCOCC1 ZINC001165018673 721778494 /nfs/dbraw/zinc/77/84/94/721778494.db2.gz JQLRIFLBGRRCNL-OFNKIYASSA-N 1 0 496.986 2.891 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)nn2)CC1 ZINC001165026438 721817095 /nfs/dbraw/zinc/81/70/95/721817095.db2.gz QGIWMAVCEMJPHE-PMVMPFDFSA-N 1 0 464.614 2.998 20 0 JFADRO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)CC1 ZINC001165025492 721818065 /nfs/dbraw/zinc/81/80/65/721818065.db2.gz MXRVRACDXAEKEL-MDNUFGMLSA-N 1 0 464.614 2.998 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(n2)N2CCC[C@H]2C(=O)N3C)CC1 ZINC001165022735 721841149 /nfs/dbraw/zinc/84/11/49/721841149.db2.gz TTWMVVNLENZSRE-IBGZPJMESA-N 1 0 466.586 2.540 20 0 JFADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)cc1 ZINC001164931732 721854265 /nfs/dbraw/zinc/85/42/65/721854265.db2.gz VNIVOMUIFMCHEK-PMACEKPBSA-N 1 0 489.045 2.845 20 0 JFADRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922588 721875227 /nfs/dbraw/zinc/87/52/27/721875227.db2.gz HASRBUGUYNRYDK-OALUTQOASA-N 1 0 475.018 2.536 20 0 JFADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001165038008 721904261 /nfs/dbraw/zinc/90/42/61/721904261.db2.gz IPYSFZFCLKFMAG-QGZVFWFLSA-N 1 0 476.002 2.931 20 0 JFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)CC3)C2)cc1 ZINC001164940203 721931111 /nfs/dbraw/zinc/93/11/11/721931111.db2.gz RUHMMXIYYKGJJD-UHFFFAOYSA-N 1 0 456.612 2.702 20 0 JFADRO Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2COC[C@H]21 ZINC001164960106 722038318 /nfs/dbraw/zinc/03/83/18/722038318.db2.gz JJIKWVVEDPVWGY-NSHGMRRFSA-N 1 0 477.943 2.629 20 0 JFADRO O=C([C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2)N1CCOCC1 ZINC001164959126 722044914 /nfs/dbraw/zinc/04/49/14/722044914.db2.gz HGZPVWSOPQEMGD-DEOSSOPVSA-N 1 0 476.621 2.874 20 0 JFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)C1 ZINC001164961695 722059730 /nfs/dbraw/zinc/05/97/30/722059730.db2.gz OHGROZKYGLIAFN-HSZRJFAPSA-N 1 0 494.640 2.770 20 0 JFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1 ZINC001164963290 722060553 /nfs/dbraw/zinc/06/05/53/722060553.db2.gz VRGHQXPXJDHCPA-UHFFFAOYSA-N 1 0 487.670 2.920 20 0 JFADRO CC[C@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2N1[C@H]1CCC(F)(F)C1 ZINC001164967778 722074606 /nfs/dbraw/zinc/07/46/06/722074606.db2.gz WBOHEHSWVBXPRH-OKYOBFRVSA-N 1 0 476.572 2.525 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@@H]32)nc1 ZINC001164978668 722093732 /nfs/dbraw/zinc/09/37/32/722093732.db2.gz JBNHLDSBEKRSEX-KGSLCBSSSA-N 1 0 452.603 2.918 20 0 JFADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164977283 722101451 /nfs/dbraw/zinc/10/14/51/722101451.db2.gz FRRQOTDMBAQOOP-SJLPKXTDSA-N 1 0 481.931 2.974 20 0 JFADRO NC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164976476 722101634 /nfs/dbraw/zinc/10/16/34/722101634.db2.gz DJRZSDBFNLCQJA-RDJZCZTQSA-N 1 0 451.905 2.501 20 0 JFADRO CCOC(=O)c1cnc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164977285 722101655 /nfs/dbraw/zinc/10/16/55/722101655.db2.gz FRRQOTDMBAQOOP-WMZOPIPTSA-N 1 0 481.931 2.974 20 0 JFADRO c1cc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980693 722105263 /nfs/dbraw/zinc/10/52/63/722105263.db2.gz JYDSZVHWVMTBDF-CTNGQTDRSA-N 1 0 466.611 2.650 20 0 JFADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982695 722125179 /nfs/dbraw/zinc/12/51/79/722125179.db2.gz XSOPVADRLWCLLK-MSOLQXFVSA-N 1 0 479.412 2.742 20 0 JFADRO Cc1cc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978188 722128420 /nfs/dbraw/zinc/12/84/20/722128420.db2.gz NSVXMTFZVWQOLI-UNMCSNQZSA-N 1 0 480.638 2.959 20 0 JFADRO CCOC(=O)c1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164983304 722130977 /nfs/dbraw/zinc/13/09/77/722130977.db2.gz TVIVGUDKPLIMTG-IEBWSBKVSA-N 1 0 453.568 2.990 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2cc1OC(C)=O ZINC001164981154 722132573 /nfs/dbraw/zinc/13/25/73/722132573.db2.gz ORFVQPLJKBPFJL-NLFFAJNJSA-N 1 0 491.548 2.603 20 0 JFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976078 722143596 /nfs/dbraw/zinc/14/35/96/722143596.db2.gz GZEWJAAICWPOKU-RBBKRZOGSA-N 1 0 473.643 2.671 20 0 JFADRO O=C(Nc1nncs1)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982116 722145742 /nfs/dbraw/zinc/14/57/42/722145742.db2.gz RDQIEKHXINRYAY-VQIMIIECSA-N 1 0 486.001 2.961 20 0 JFADRO COC(=O)c1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164972193 722156490 /nfs/dbraw/zinc/15/64/90/722156490.db2.gz GOHNBMQDOLLDPU-HUUCEWRRSA-N 1 0 452.342 2.692 20 0 JFADRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C(=O)OCC ZINC001164977120 722158053 /nfs/dbraw/zinc/15/80/53/722158053.db2.gz XDTFCBMIPWXQFI-FPOVZHCZSA-N 1 0 468.554 2.557 20 0 JFADRO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164973012 722158911 /nfs/dbraw/zinc/15/89/11/722158911.db2.gz JXLPUHJPQMHYJG-AEFFLSMTSA-N 1 0 486.972 2.806 20 0 JFADRO Clc1nnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1N1CCOCC1 ZINC001164973186 722158919 /nfs/dbraw/zinc/15/89/19/722158919.db2.gz LRJHFYDLCRUHRF-ZWKOTPCHSA-N 1 0 479.412 2.742 20 0 JFADRO CS(=O)(=O)c1cc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164973013 722159090 /nfs/dbraw/zinc/15/90/90/722159090.db2.gz JXLPUHJPQMHYJG-FUHWJXTLSA-N 1 0 486.972 2.806 20 0 JFADRO CCc1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc(N2CCOCC2)[nH+]1 ZINC001164986577 722184122 /nfs/dbraw/zinc/18/41/22/722184122.db2.gz DRMPSCDHMPNSSN-NHCUHLMSSA-N 1 0 458.632 2.510 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164991371 722188955 /nfs/dbraw/zinc/18/89/55/722188955.db2.gz PQVCJWAIRDMJIM-QFIPXVFZSA-N 1 0 451.615 2.874 20 0 JFADRO CC(C)C(=O)NCc1nnc2n1CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164988317 722190098 /nfs/dbraw/zinc/19/00/98/722190098.db2.gz GCCROPCMALCJMQ-UHFFFAOYSA-N 1 0 459.598 2.914 20 0 JFADRO Cn1cnc2c1nc(N1CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)nc2N1CCOCC1 ZINC001164994557 722196749 /nfs/dbraw/zinc/19/67/49/722196749.db2.gz NVTFIJJEYHHWNI-XMMPIXPASA-N 1 0 451.550 2.584 20 0 JFADRO Cn1cnc2c1nc(N1CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)nc2N1CCOCC1 ZINC001164994555 722196828 /nfs/dbraw/zinc/19/68/28/722196828.db2.gz NVTFIJJEYHHWNI-DEOSSOPVSA-N 1 0 451.550 2.584 20 0 JFADRO CN1CCN(c2ncnc3c2CCN(c2ccc4c(n2)CC[N@@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164998152 722232008 /nfs/dbraw/zinc/23/20/08/722232008.db2.gz YTOMSAUZWNHLGV-UHFFFAOYSA-N 1 0 469.637 2.787 20 0 JFADRO CCOC(=O)c1sc2ncnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165001125 722250491 /nfs/dbraw/zinc/25/04/91/722250491.db2.gz MFLLQKXHXLNRIE-UHFFFAOYSA-N 1 0 458.588 2.861 20 0 JFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002715 722253742 /nfs/dbraw/zinc/25/37/42/722253742.db2.gz TWPXVDQQATUSLF-UHFFFAOYSA-N 1 0 458.950 2.755 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001165004604 722262868 /nfs/dbraw/zinc/26/28/68/722262868.db2.gz QTCMYPPVGRWSQC-QHCPKHFHSA-N 1 0 458.969 2.664 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165005339 722266868 /nfs/dbraw/zinc/26/68/68/722266868.db2.gz BAPMLGRJXMJOTI-VWLOTQADSA-N 1 0 453.562 2.623 20 0 JFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297582 1059475828 /nfs/dbraw/zinc/47/58/28/1059475828.db2.gz UJJAMBWDNTZHNN-MJGOQNOKSA-N 1 0 489.432 2.502 20 0 JFADRO COCCOc1ccc(-n2nc(C)c(C(=O)NCC3([NH+]4CCSCC4)CCCC3)n2)cc1 ZINC001264519257 1059602488 /nfs/dbraw/zinc/60/24/88/1059602488.db2.gz LCHBUXDSPVKGCT-UHFFFAOYSA-N 1 0 459.616 2.692 20 0 JFADRO CN(CCCC(=O)N(c1ccccc1)C1CC[NH+](C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC001264621829 1059629546 /nfs/dbraw/zinc/62/95/46/1059629546.db2.gz NJFYHSYTLKFEFO-UHFFFAOYSA-N 1 0 454.596 2.975 20 0 JFADRO COC(=O)c1cc(S(=O)(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c(C(=O)OC)s1 ZINC000608833600 1059639853 /nfs/dbraw/zinc/63/98/53/1059639853.db2.gz WBHFIEYSLMHRHG-ZBFHGGJFSA-N 1 0 464.565 2.626 20 0 JFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(I)c(F)cc2F)CC1 ZINC001264759143 1059665927 /nfs/dbraw/zinc/66/59/27/1059665927.db2.gz NBSCITBEVONSLO-UHFFFAOYSA-N 1 0 458.250 2.969 20 0 JFADRO O=C(c1scnc1Br)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001264831860 1059698750 /nfs/dbraw/zinc/69/87/50/1059698750.db2.gz NAEDWWMXDHFJDT-OAHLLOKOSA-N 1 0 450.406 2.975 20 0 JFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H](F)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843108 1059703228 /nfs/dbraw/zinc/70/32/28/1059703228.db2.gz GBEVUCOCZJAWRX-KSSFIOAISA-N 1 0 450.511 2.690 20 0 JFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 ZINC001264860451 1059709334 /nfs/dbraw/zinc/70/93/34/1059709334.db2.gz VBRPHNDEFPTRPG-UHFFFAOYSA-N 1 0 458.320 2.567 20 0 JFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3ccc(CN4CCOCC4)o3)CC2)c1C ZINC001264964694 1059741766 /nfs/dbraw/zinc/74/17/66/1059741766.db2.gz MPCJRSASZSLCDL-UHFFFAOYSA-N 1 0 456.587 2.869 20 0 JFADRO Cn1cc(N2C[C@@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)CCC2=O)cn1 ZINC001264985943 1059745504 /nfs/dbraw/zinc/74/55/04/1059745504.db2.gz UBLYPXSDKYGWOJ-KRWDZBQOSA-N 1 0 451.493 2.772 20 0 JFADRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001264986069 1059746065 /nfs/dbraw/zinc/74/60/65/1059746065.db2.gz YDCWQAPEEDTBOK-UHFFFAOYSA-N 1 0 459.509 2.691 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001265006969 1059750093 /nfs/dbraw/zinc/75/00/93/1059750093.db2.gz YDYCZRRSVRUJBR-QGZVFWFLSA-N 1 0 454.409 2.927 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC001265048963 1059757193 /nfs/dbraw/zinc/75/71/93/1059757193.db2.gz OEPCNTMUKWNAMC-UHFFFAOYSA-N 1 0 455.360 2.712 20 0 JFADRO CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)nc1 ZINC001265064070 1059760139 /nfs/dbraw/zinc/76/01/39/1059760139.db2.gz VVLLIGKUYGVRMN-FQEVSTJZSA-N 1 0 452.555 2.664 20 0 JFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001265066498 1059761031 /nfs/dbraw/zinc/76/10/31/1059761031.db2.gz QTUDKXJBARBPRA-IBGZPJMESA-N 1 0 453.624 2.942 20 0 JFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@H](C)C1 ZINC001265127364 1059774735 /nfs/dbraw/zinc/77/47/35/1059774735.db2.gz ALTDLQIXKISFPN-ZBNTXBBCSA-N 1 0 453.624 2.513 20 0 JFADRO C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCS(=O)(=O)c4ccccc43)cc2)CC1 ZINC001265161998 1059785044 /nfs/dbraw/zinc/78/50/44/1059785044.db2.gz IKGCZFJYTRPKJR-HXUWFJFHSA-N 1 0 456.568 2.802 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001265246723 1059804846 /nfs/dbraw/zinc/80/48/46/1059804846.db2.gz DECHTXLXYZGQEH-GOSISDBHSA-N 1 0 453.543 2.850 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001265247166 1059805909 /nfs/dbraw/zinc/80/59/09/1059805909.db2.gz LPEQLLWMIYWCPW-IFMALSPDSA-N 1 0 455.603 2.719 20 0 JFADRO CN1C(=O)C[C@H](C(=O)NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H]1c1cccnc1 ZINC001265256874 1059809531 /nfs/dbraw/zinc/80/95/31/1059809531.db2.gz LLAPOGAVUWBSCU-SIKLNZKXSA-N 1 0 475.515 2.688 20 0 JFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC(=O)N(CCOc4ccccc4)C3)cc2)CC1 ZINC001265423745 1059855844 /nfs/dbraw/zinc/85/58/44/1059855844.db2.gz XKOMFAWJJVADDR-JOCHJYFZSA-N 1 0 450.583 2.627 20 0 JFADRO CN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001265828751 1059930863 /nfs/dbraw/zinc/93/08/63/1059930863.db2.gz SSBHSABQQKSOIJ-OAQYLSRUSA-N 1 0 458.628 2.936 20 0 JFADRO CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)C1 ZINC001266229338 1059975626 /nfs/dbraw/zinc/97/56/26/1059975626.db2.gz HSORINAOXLOSTP-AJSBUHFISA-N 1 0 476.042 2.953 20 0 JFADRO CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C(C)C)C3)cc2S1(=O)=O ZINC001279365638 1059982865 /nfs/dbraw/zinc/98/28/65/1059982865.db2.gz WKFMKOURGWDPFV-OAQYLSRUSA-N 1 0 455.580 2.834 20 0 JFADRO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)CC1 ZINC001279365167 1059983029 /nfs/dbraw/zinc/98/30/29/1059983029.db2.gz RIDWZNZSAHNEIS-KXTRFFEISA-N 1 0 459.631 2.693 20 0 JFADRO CN(C)S(=O)(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1Br ZINC001279577375 1059984755 /nfs/dbraw/zinc/98/47/55/1059984755.db2.gz HLFDUHZNQWRLEH-MRXNPFEDSA-N 1 0 458.422 2.836 20 0 JFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)ccc1C ZINC001279601637 1059985703 /nfs/dbraw/zinc/98/57/03/1059985703.db2.gz QRXKTPQSZUOFOH-HXUWFJFHSA-N 1 0 451.633 2.741 20 0 JFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)ccc1C ZINC001279601636 1059985905 /nfs/dbraw/zinc/98/59/05/1059985905.db2.gz QRXKTPQSZUOFOH-FQEVSTJZSA-N 1 0 451.633 2.741 20 0 JFADRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001280022344 1059999322 /nfs/dbraw/zinc/99/93/22/1059999322.db2.gz MMWKZPYCHVDIBR-FUHWJXTLSA-N 1 0 458.024 2.696 20 0 JFADRO C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001280503640 1060008874 /nfs/dbraw/zinc/00/88/74/1060008874.db2.gz KBLYBSADAVGTSA-MRXNPFEDSA-N 1 0 456.340 2.955 20 0 JFADRO C=Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001286649577 1060765594 /nfs/dbraw/zinc/76/55/94/1060765594.db2.gz JGOWMWYUBKNOBH-LJQANCHMSA-N 1 0 472.659 2.839 20 0 JFADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[NH+]1CCOCC1 ZINC001286839938 1061099034 /nfs/dbraw/zinc/09/90/34/1061099034.db2.gz ZBJOVPPBNTWNDV-GNDBUYPCSA-N 1 0 452.603 2.881 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286842041 1061111079 /nfs/dbraw/zinc/11/10/79/1061111079.db2.gz VDXWWDJUOAYTGD-DHLKQENFSA-N 1 0 478.682 2.742 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286842064 1061111794 /nfs/dbraw/zinc/11/17/94/1061111794.db2.gz LZAIDBYINNBAOQ-IBGZPJMESA-N 1 0 456.639 2.780 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286842075 1061111859 /nfs/dbraw/zinc/11/18/59/1061111859.db2.gz VDXWWDJUOAYTGD-WIOPSUGQSA-N 1 0 478.682 2.742 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001286843449 1061122158 /nfs/dbraw/zinc/12/21/58/1061122158.db2.gz SEGSDBPQBLCHAF-QFIPXVFZSA-N 1 0 484.674 2.951 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286843470 1061122190 /nfs/dbraw/zinc/12/21/90/1061122190.db2.gz TXOQCZQEDIBUAP-FQEVSTJZSA-N 1 0 473.666 2.502 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286843827 1061125519 /nfs/dbraw/zinc/12/55/19/1061125519.db2.gz AJXHSPHSJLELDM-FQEVSTJZSA-N 1 0 470.618 2.751 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286845124 1061140163 /nfs/dbraw/zinc/14/01/63/1061140163.db2.gz ZMVRJCQLBSVOBZ-UHFFFAOYSA-N 1 0 458.655 2.706 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3cccc(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001286849384 1061171592 /nfs/dbraw/zinc/17/15/92/1061171592.db2.gz MQZDIXZUOWYVTP-WPFOTENUSA-N 1 0 498.672 2.969 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCCC[NH+]2CCOCC2)C1 ZINC001286849532 1061173396 /nfs/dbraw/zinc/17/33/96/1061173396.db2.gz DBDWVRMEZGVONY-HSZRJFAPSA-N 1 0 468.646 2.594 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001286850647 1061178469 /nfs/dbraw/zinc/17/84/69/1061178469.db2.gz PQZTZFODFIJQSZ-DHIUTWEWSA-N 1 0 454.619 2.609 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001286851054 1061181280 /nfs/dbraw/zinc/18/12/80/1061181280.db2.gz KWDDGSCXRJYTLM-OAQYLSRUSA-N 1 0 489.064 2.674 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001286854632 1061204664 /nfs/dbraw/zinc/20/46/64/1061204664.db2.gz OILMENPNWVXTSX-IRLDBZIGSA-N 1 0 454.619 2.954 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001286855011 1061206937 /nfs/dbraw/zinc/20/69/37/1061206937.db2.gz XJZIGLCCBHUPDP-MJGOQNOKSA-N 1 0 458.582 2.784 20 0 JFADRO CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC001286856813 1061215241 /nfs/dbraw/zinc/21/52/41/1061215241.db2.gz KPMKYYULNVHHAA-HSZRJFAPSA-N 1 0 487.693 2.767 20 0 JFADRO CC(=O)N1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286859986 1061225531 /nfs/dbraw/zinc/22/55/31/1061225531.db2.gz BXJMEYMFUZETQX-JOCHJYFZSA-N 1 0 467.618 2.546 20 0 JFADRO CC(=O)N1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001286863926 1061240780 /nfs/dbraw/zinc/24/07/80/1061240780.db2.gz ZWSXRUNBURGNHZ-LJQANCHMSA-N 1 0 488.608 2.727 20 0 JFADRO 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Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CCCC[NH+]2CCC(C)CC2)o1 ZINC001289602632 1061249364 /nfs/dbraw/zinc/24/93/64/1061249364.db2.gz VRRDGOIBAIBSES-IBGZPJMESA-N 1 0 478.663 2.829 20 0 JFADRO CC(=O)N1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001286868346 1061256167 /nfs/dbraw/zinc/25/61/67/1061256167.db2.gz KBZPBHWRQHLWCF-UHFFFAOYSA-N 1 0 481.689 2.743 20 0 JFADRO CC(=O)N1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001286868605 1061257760 /nfs/dbraw/zinc/25/77/60/1061257760.db2.gz OLVKCJRWXTVKCG-UHFFFAOYSA-N 1 0 458.582 2.929 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286868900 1061259041 /nfs/dbraw/zinc/25/90/41/1061259041.db2.gz CHXOWLDTMVOEPF-DHLKQENFSA-N 1 0 497.688 2.706 20 0 JFADRO CC(=O)N1CCCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286869279 1061261400 /nfs/dbraw/zinc/26/14/00/1061261400.db2.gz VLZOYUYPCAKSDP-JOCHJYFZSA-N 1 0 454.619 2.873 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@@](=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001286869453 1061261947 /nfs/dbraw/zinc/26/19/47/1061261947.db2.gz FAYHULUYWFRUMU-WSBIGAKOSA-N 1 0 492.734 2.862 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001286869449 1061262128 /nfs/dbraw/zinc/26/21/28/1061262128.db2.gz FAYHULUYWFRUMU-HVSLEJHRSA-N 1 0 492.734 2.862 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CCCC(C)C)C[C@H]2C)CC1 ZINC001286870245 1061264932 /nfs/dbraw/zinc/26/49/32/1061264932.db2.gz IIXXTLLSSLMFLA-KNQAVFIVSA-N 1 0 454.623 2.550 20 0 JFADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCC2)o1 ZINC001289634344 1061267083 /nfs/dbraw/zinc/26/70/83/1061267083.db2.gz DHGMYHOJUGTGGJ-HKUYNNGSSA-N 1 0 476.603 2.856 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870831 1061268035 /nfs/dbraw/zinc/26/80/35/1061268035.db2.gz KQXXABDSYKIAJG-NZQKXSOJSA-N 1 0 471.650 2.715 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870830 1061268282 /nfs/dbraw/zinc/26/82/82/1061268282.db2.gz KQXXABDSYKIAJG-NFBKMPQASA-N 1 0 471.650 2.715 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCC(C)C)C[C@@H]2C)CC1 ZINC001286871101 1061269264 /nfs/dbraw/zinc/26/92/64/1061269264.db2.gz LSJHOUULSFXBSW-KSEOMHKRSA-N 1 0 478.707 2.550 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001286870915 1061269420 /nfs/dbraw/zinc/26/94/20/1061269420.db2.gz LSJHOUULSFXBSW-BAGYTPMASA-N 1 0 478.707 2.550 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOCC[NH+](C)C)[C@@H](C)C1 ZINC001286871572 1061274168 /nfs/dbraw/zinc/27/41/68/1061274168.db2.gz KMKAKZQXCXMXNE-ROUUACIJSA-N 1 0 479.025 2.707 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCOCC[NH+](C)C)[C@H](C)C1 ZINC001286871570 1061274243 /nfs/dbraw/zinc/27/42/43/1061274243.db2.gz KMKAKZQXCXMXNE-MSOLQXFVSA-N 1 0 479.025 2.707 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286871812 1061275377 /nfs/dbraw/zinc/27/53/77/1061275377.db2.gz QCHPTFBKVMCBIQ-REWPJTCUSA-N 1 0 460.667 2.672 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(CC4CC4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286871811 1061275797 /nfs/dbraw/zinc/27/57/97/1061275797.db2.gz QCHPTFBKVMCBIQ-OFNKIYASSA-N 1 0 460.667 2.672 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001286872028 1061276022 /nfs/dbraw/zinc/27/60/22/1061276022.db2.gz MPXZHULKWDBPBO-OAQYLSRUSA-N 1 0 484.645 2.550 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@H]2C)CC1 ZINC001286872144 1061276644 /nfs/dbraw/zinc/27/66/44/1061276644.db2.gz SITBMRXEDXFZIT-XLIONFOSSA-N 1 0 494.587 2.897 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286872178 1061277187 /nfs/dbraw/zinc/27/71/87/1061277187.db2.gz SVIDOTXBKIMTNZ-XUZZJYLKSA-N 1 0 485.677 2.725 20 0 JFADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC001289662897 1061284052 /nfs/dbraw/zinc/28/40/52/1061284052.db2.gz QCXCULZWEAVITG-PZJWPPBQSA-N 1 0 460.648 2.618 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC001286874630 1061290212 /nfs/dbraw/zinc/29/02/12/1061290212.db2.gz AHSISPPEWRXVAU-OALUTQOASA-N 1 0 462.602 2.922 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC001286874631 1061290273 /nfs/dbraw/zinc/29/02/73/1061290273.db2.gz AHSISPPEWRXVAU-RBUKOAKNSA-N 1 0 462.602 2.922 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286875006 1061291080 /nfs/dbraw/zinc/29/10/80/1061291080.db2.gz DUWIKGIEIXCNAJ-SFHVURJKSA-N 1 0 474.053 2.682 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCOCC[NH+](C)C)CC12CCCCC2 ZINC001286876706 1061294386 /nfs/dbraw/zinc/29/43/86/1061294386.db2.gz LITUQPYCGRNGPN-UHFFFAOYSA-N 1 0 458.607 2.796 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC001286878147 1061296781 /nfs/dbraw/zinc/29/67/81/1061296781.db2.gz OLLSDWLOYATPKY-LJQANCHMSA-N 1 0 454.623 2.550 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[NH+]2CCCC2)[C@H](C)C1 ZINC001286880148 1061302029 /nfs/dbraw/zinc/30/20/29/1061302029.db2.gz NMPMKMHVRZFDHI-CTNGQTDRSA-N 1 0 489.665 2.545 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286883762 1061315211 /nfs/dbraw/zinc/31/52/11/1061315211.db2.gz PIZKCRUDLVOUBD-QFIPXVFZSA-N 1 0 497.688 2.557 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286884144 1061317271 /nfs/dbraw/zinc/31/72/71/1061317271.db2.gz CGURGUKHOOMMFR-KDURUIRLSA-N 1 0 470.666 2.565 20 0 JFADRO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001289706918 1061317537 /nfs/dbraw/zinc/31/75/37/1061317537.db2.gz ZHIZXLKZTRFUOZ-SIKLNZKXSA-N 1 0 472.609 2.809 20 0 JFADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001289706916 1061317661 /nfs/dbraw/zinc/31/76/61/1061317661.db2.gz ZHIZXLKZTRFUOZ-KNQAVFIVSA-N 1 0 472.609 2.809 20 0 JFADRO Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001289714645 1061321875 /nfs/dbraw/zinc/32/18/75/1061321875.db2.gz WLULJFUBAQQJTR-SFTDATJTSA-N 1 0 478.663 2.664 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC001286884976 1061321963 /nfs/dbraw/zinc/32/19/63/1061321963.db2.gz SLISJZGQEUZBHI-XLIONFOSSA-N 1 0 459.664 2.811 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001286885540 1061323832 /nfs/dbraw/zinc/32/38/32/1061323832.db2.gz YGTDTVOHLDDXBG-DYESRHJHSA-N 1 0 459.664 2.811 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CC2=O)cc1 ZINC001289716630 1061324431 /nfs/dbraw/zinc/32/44/31/1061324431.db2.gz OCCLFFWRLDCIPC-QFIPXVFZSA-N 1 0 468.646 2.974 20 0 JFADRO CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001286885708 1061324741 /nfs/dbraw/zinc/32/47/41/1061324741.db2.gz NBYJUAUXLAGPMI-GOSISDBHSA-N 1 0 487.674 2.591 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886145 1061327805 /nfs/dbraw/zinc/32/78/05/1061327805.db2.gz AXONABBZLCUCNO-QNWVGRARSA-N 1 0 473.710 2.686 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1C ZINC001289721742 1061328983 /nfs/dbraw/zinc/32/89/83/1061328983.db2.gz QDYUNBVFVYJVKQ-SFTDATJTSA-N 1 0 490.674 2.747 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCSC3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001289721751 1061329650 /nfs/dbraw/zinc/32/96/50/1061329650.db2.gz QKBOUAAKZHRYLR-HXUWFJFHSA-N 1 0 472.659 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289723030 1061331619 /nfs/dbraw/zinc/33/16/19/1061331619.db2.gz PGLLUOCHHUQDQZ-XMMPIXPASA-N 1 0 484.004 2.899 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289725689 1061333456 /nfs/dbraw/zinc/33/34/56/1061333456.db2.gz IIXJEEXBMQNPJA-FYYLOGMGSA-N 1 0 484.645 2.857 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC001286887853 1061338731 /nfs/dbraw/zinc/33/87/31/1061338731.db2.gz HAOPDTRDASTTFQ-IRMYBRCSSA-N 1 0 490.693 2.755 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289730571 1061340561 /nfs/dbraw/zinc/34/05/61/1061340561.db2.gz VQPTXZPZMQDFBM-IAGOWNOFSA-N 1 0 495.550 2.602 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3C[C@@H](C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286888396 1061340657 /nfs/dbraw/zinc/34/06/57/1061340657.db2.gz YJIKUHSAZLYIIL-JBYIUTFZSA-N 1 0 474.053 2.537 20 0 JFADRO CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCOCC[NH+](C)C)[C@H](C)C1 ZINC001286888714 1061343164 /nfs/dbraw/zinc/34/31/64/1061343164.db2.gz QGQPMJZQFQABKG-QGZVFWFLSA-N 1 0 481.066 2.859 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001289732946 1061343403 /nfs/dbraw/zinc/34/34/03/1061343403.db2.gz NDVXECZXBJUVOM-OAQYLSRUSA-N 1 0 469.634 2.825 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[NH+]2CCC(C)CC2)cc1C ZINC001289733577 1061344253 /nfs/dbraw/zinc/34/42/53/1061344253.db2.gz VSFFJTJGVLPQGP-FQEVSTJZSA-N 1 0 467.618 2.581 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001286889020 1061345294 /nfs/dbraw/zinc/34/52/94/1061345294.db2.gz RHGTVGAMSSDQDD-LJQANCHMSA-N 1 0 458.582 2.785 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001289738435 1061351041 /nfs/dbraw/zinc/35/10/41/1061351041.db2.gz NDYFTSPWAMTAPS-LJQANCHMSA-N 1 0 455.607 2.579 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001289739098 1061352248 /nfs/dbraw/zinc/35/22/48/1061352248.db2.gz HFUCXQYOCOJTGV-YLJYHZDGSA-N 1 0 467.618 2.546 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCCOCC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1C ZINC001289739092 1061352492 /nfs/dbraw/zinc/35/24/92/1061352492.db2.gz HDYOYWCCEZQRHO-QFIPXVFZSA-N 1 0 470.618 2.731 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001289740245 1061353966 /nfs/dbraw/zinc/35/39/66/1061353966.db2.gz MFLSHJITXYOZGK-OAQYLSRUSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)CC3)n2CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289742489 1061357693 /nfs/dbraw/zinc/35/76/93/1061357693.db2.gz AMKMFWZJTJXXLA-IBGZPJMESA-N 1 0 481.645 2.986 20 0 JFADRO CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001286891512 1061361073 /nfs/dbraw/zinc/36/10/73/1061361073.db2.gz ZOTWFEYZSYCXKZ-UHFFFAOYSA-N 1 0 474.053 2.683 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001289746325 1061363454 /nfs/dbraw/zinc/36/34/54/1061363454.db2.gz GWDUVCJMOQUHNH-NHCUHLMSSA-N 1 0 470.618 2.873 20 0 JFADRO CC(=O)Nc1ccc(CCn2c(CC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001286893115 1061367763 /nfs/dbraw/zinc/36/77/63/1061367763.db2.gz GTXWHXACVXHFLW-JOCHJYFZSA-N 1 0 454.619 2.836 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001289748213 1061368590 /nfs/dbraw/zinc/36/85/90/1061368590.db2.gz PFLMLFPIGIODRS-FQEVSTJZSA-N 1 0 496.660 2.547 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001289753312 1061375495 /nfs/dbraw/zinc/37/54/95/1061375495.db2.gz JNVGLGLXZRZYJJ-TZIWHRDSSA-N 1 0 467.618 2.877 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001286900438 1061391933 /nfs/dbraw/zinc/39/19/33/1061391933.db2.gz GHJWVZMXSWNMSJ-UHFFFAOYSA-N 1 0 454.623 2.741 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286900473 1061392406 /nfs/dbraw/zinc/39/24/06/1061392406.db2.gz IBRXDMOJGGHUBE-LNLZDRLMSA-N 1 0 476.666 2.903 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001289773951 1061394440 /nfs/dbraw/zinc/39/44/40/1061394440.db2.gz OLUIMIVWXMVJGQ-UHFFFAOYSA-N 1 0 490.674 2.510 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)cc1C ZINC001289774568 1061396456 /nfs/dbraw/zinc/39/64/56/1061396456.db2.gz RZQLAYOOKWVTFU-UXHICEINSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001286902265 1061396887 /nfs/dbraw/zinc/39/68/87/1061396887.db2.gz MKPPUXDLVOEZCZ-KXTRFFEISA-N 1 0 468.646 2.900 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289775608 1061398450 /nfs/dbraw/zinc/39/84/50/1061398450.db2.gz RZWTUQNXSADLTG-FQEVSTJZSA-N 1 0 484.645 2.501 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001286903801 1061404805 /nfs/dbraw/zinc/40/48/05/1061404805.db2.gz NNUOFRMBZWPLBF-VNXZQDSDSA-N 1 0 499.635 2.726 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289782734 1061405723 /nfs/dbraw/zinc/40/57/23/1061405723.db2.gz LAHOXLLJYCPUER-HSZRJFAPSA-N 1 0 474.009 2.564 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286904515 1061410170 /nfs/dbraw/zinc/41/01/70/1061410170.db2.gz VMQYOZNLKILKGH-HOHBBMLPSA-N 1 0 456.639 2.506 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286904555 1061410217 /nfs/dbraw/zinc/41/02/17/1061410217.db2.gz RNOWDXRVBITFAL-OWUFIANHSA-N 1 0 476.666 2.553 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001286905301 1061418126 /nfs/dbraw/zinc/41/81/26/1061418126.db2.gz MWGOGTHKAJWRAY-FPOVZHCZSA-N 1 0 482.633 2.685 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286905299 1061418222 /nfs/dbraw/zinc/41/82/22/1061418222.db2.gz MWGOGTHKAJWRAY-CTNGQTDRSA-N 1 0 482.633 2.685 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001289791653 1061420585 /nfs/dbraw/zinc/42/05/85/1061420585.db2.gz PFJCHCVFUXXYIJ-NTKDMRAZSA-N 1 0 472.659 2.578 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC001289792461 1061425345 /nfs/dbraw/zinc/42/53/45/1061425345.db2.gz UZKYGFUIVAHPKC-BHDDXSALSA-N 1 0 484.645 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001289792463 1061425402 /nfs/dbraw/zinc/42/54/02/1061425402.db2.gz UZKYGFUIVAHPKC-FKBYEOEOSA-N 1 0 484.645 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC([C@@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001289799414 1061433565 /nfs/dbraw/zinc/43/35/65/1061433565.db2.gz JBXMGMKVOKNNTK-QHCPKHFHSA-N 1 0 497.644 2.662 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286907005 1061434543 /nfs/dbraw/zinc/43/45/43/1061434543.db2.gz IDYJMMNCODEQFK-ICSRJNTNSA-N 1 0 462.545 2.992 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289802168 1061437648 /nfs/dbraw/zinc/43/76/48/1061437648.db2.gz GRIGOGDINLKWNE-CJFMBICVSA-N 1 0 454.619 2.988 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001286910200 1061455262 /nfs/dbraw/zinc/45/52/62/1061455262.db2.gz DGSCFAAKZRUWJN-LADGPHEKSA-N 1 0 484.645 2.627 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001289810482 1061455681 /nfs/dbraw/zinc/45/56/81/1061455681.db2.gz TVSJXFKTWNKINV-FQEVSTJZSA-N 1 0 475.659 2.911 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001286910997 1061460210 /nfs/dbraw/zinc/46/02/10/1061460210.db2.gz DXFPYKPTXVJJFL-UXHICEINSA-N 1 0 453.616 2.733 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001286911710 1061464905 /nfs/dbraw/zinc/46/49/05/1061464905.db2.gz KQTWJFPMXNWRHY-DEOSSOPVSA-N 1 0 497.688 2.544 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286912078 1061466487 /nfs/dbraw/zinc/46/64/87/1061466487.db2.gz JKINQNLIFGYMLD-MBOZVWFJSA-N 1 0 459.664 2.859 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289818110 1061473034 /nfs/dbraw/zinc/47/30/34/1061473034.db2.gz JGDIWROTZDATNP-CTNGQTDRSA-N 1 0 463.648 2.828 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC001289819324 1061479009 /nfs/dbraw/zinc/47/90/09/1061479009.db2.gz SERZJYVNPRFYLV-UHFFFAOYSA-N 1 0 456.635 2.727 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(=O)NCC(F)(F)F)cc1C ZINC001289824446 1061490588 /nfs/dbraw/zinc/49/05/88/1061490588.db2.gz LBJDXTBQXBVTIU-UHFFFAOYSA-N 1 0 480.535 2.827 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289824754 1061492302 /nfs/dbraw/zinc/49/23/02/1061492302.db2.gz PEKPIEPJPUMADM-QHCPKHFHSA-N 1 0 497.688 2.559 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001286915432 1061493117 /nfs/dbraw/zinc/49/31/17/1061493117.db2.gz PZOXSAKDFDOVMC-FQEVSTJZSA-N 1 0 467.662 2.891 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C ZINC001289827990 1061503762 /nfs/dbraw/zinc/50/37/62/1061503762.db2.gz MTFPCCUPFPEUOP-IQGLISFBSA-N 1 0 454.619 2.921 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001286918252 1061505206 /nfs/dbraw/zinc/50/52/06/1061505206.db2.gz BIIKKKWVVKVMBT-XMMPIXPASA-N 1 0 468.646 2.587 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286918263 1061505265 /nfs/dbraw/zinc/50/52/65/1061505265.db2.gz BTJMRXNBPVIJGY-OAQYLSRUSA-N 1 0 453.635 2.737 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286918330 1061505783 /nfs/dbraw/zinc/50/57/83/1061505783.db2.gz KPBLWJBMZYIZOE-QFIPXVFZSA-N 1 0 454.619 2.715 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286919417 1061509712 /nfs/dbraw/zinc/50/97/12/1061509712.db2.gz ONYHBOZOUUPZKC-UHFFFAOYSA-N 1 0 465.577 2.640 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286922062 1061519883 /nfs/dbraw/zinc/51/98/83/1061519883.db2.gz PZJCOIKKGPXKIB-FCHUYYIVSA-N 1 0 496.660 2.646 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286922338 1061521780 /nfs/dbraw/zinc/52/17/80/1061521780.db2.gz UHZJIXVEXORLRJ-XKGZKEIXSA-N 1 0 489.665 2.636 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001286922436 1061522319 /nfs/dbraw/zinc/52/23/19/1061522319.db2.gz UHUBCMDAGPJDAT-BKMJKUGQSA-N 1 0 490.693 2.793 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286925188 1061534058 /nfs/dbraw/zinc/53/40/58/1061534058.db2.gz DKCWBFIRZHTQSH-LADGPHEKSA-N 1 0 484.645 2.861 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286925186 1061534208 /nfs/dbraw/zinc/53/42/08/1061534208.db2.gz DKCWBFIRZHTQSH-ISKFKSNPSA-N 1 0 484.645 2.861 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001286926043 1061537646 /nfs/dbraw/zinc/53/76/46/1061537646.db2.gz HWMNVAXGBKFQSB-LGGPRVQUSA-N 1 0 476.666 2.760 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286927093 1061543413 /nfs/dbraw/zinc/54/34/13/1061543413.db2.gz QTUSEQCHBWGUQH-RTBURBONSA-N 1 0 475.682 2.525 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001289861978 1061543995 /nfs/dbraw/zinc/54/39/95/1061543995.db2.gz AJBUOVRFPLBDDC-WZONZLPQSA-N 1 0 474.700 2.983 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286928137 1061547497 /nfs/dbraw/zinc/54/74/97/1061547497.db2.gz VZNYURSMXNSGPL-LJQANCHMSA-N 1 0 496.660 2.788 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001289868261 1061549983 /nfs/dbraw/zinc/54/99/83/1061549983.db2.gz PVCGTAOXVYBOJR-VQTJNVASSA-N 1 0 472.659 2.691 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001289868260 1061550037 /nfs/dbraw/zinc/55/00/37/1061550037.db2.gz PVCGTAOXVYBOJR-UXHICEINSA-N 1 0 472.659 2.691 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286929742 1061552410 /nfs/dbraw/zinc/55/24/10/1061552410.db2.gz XVOBEGYSKNQJGX-GGAORHGYSA-N 1 0 454.619 2.654 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286929744 1061552457 /nfs/dbraw/zinc/55/24/57/1061552457.db2.gz XVOBEGYSKNQJGX-GMAHTHKFSA-N 1 0 454.619 2.654 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289870302 1061553684 /nfs/dbraw/zinc/55/36/84/1061553684.db2.gz RRGNXZCVRHXVHU-FQEVSTJZSA-N 1 0 493.699 2.613 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001286930539 1061555589 /nfs/dbraw/zinc/55/55/89/1061555589.db2.gz RQTQTEDHVXQVMX-XMMPIXPASA-N 1 0 461.614 2.726 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001289871855 1061555671 /nfs/dbraw/zinc/55/56/71/1061555671.db2.gz IWUJEGPVTLMYTD-GOSISDBHSA-N 1 0 460.673 2.629 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001289876927 1061560673 /nfs/dbraw/zinc/56/06/73/1061560673.db2.gz HEMKIGUEIOHMQD-HYBUGGRVSA-N 1 0 475.659 2.576 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001289878839 1061563613 /nfs/dbraw/zinc/56/36/13/1061563613.db2.gz KKTSRGDJEYDRQL-HXUWFJFHSA-N 1 0 472.659 2.706 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286933316 1061565085 /nfs/dbraw/zinc/56/50/85/1061565085.db2.gz BUEXXQOFPHJUJE-SFHVURJKSA-N 1 0 494.644 2.539 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286934157 1061568109 /nfs/dbraw/zinc/56/81/09/1061568109.db2.gz ROXIPMVUQYWBIN-UHFFFAOYSA-N 1 0 491.640 2.990 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286934248 1061568541 /nfs/dbraw/zinc/56/85/41/1061568541.db2.gz FLCOMDUDWBAQQR-UHFFFAOYSA-N 1 0 482.673 2.651 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286934425 1061569350 /nfs/dbraw/zinc/56/93/50/1061569350.db2.gz SMNCBCNZRGEIHA-IBGZPJMESA-N 1 0 464.618 2.552 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286934759 1061570827 /nfs/dbraw/zinc/57/08/27/1061570827.db2.gz KBSQRXCHIRVAAW-WOJBJXKFSA-N 1 0 486.636 2.860 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CC)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001294092295 1061572095 /nfs/dbraw/zinc/57/20/95/1061572095.db2.gz WDVLCTIMCFAETM-MRXNPFEDSA-N 1 0 455.529 2.829 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001294093598 1061572647 /nfs/dbraw/zinc/57/26/47/1061572647.db2.gz GBZBYUFWXKNJMQ-JOCHJYFZSA-N 1 0 475.707 2.913 20 0 JFADRO Cc1cccc(C(=O)N2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001289889815 1061573959 /nfs/dbraw/zinc/57/39/59/1061573959.db2.gz MQOFZGQNEHWXLC-JOCHJYFZSA-N 1 0 481.645 2.620 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(CN3CCCC3=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC001289892907 1061577646 /nfs/dbraw/zinc/57/76/46/1061577646.db2.gz FODHPKIHVKDZCV-UHFFFAOYSA-N 1 0 495.672 2.697 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294099283 1061579935 /nfs/dbraw/zinc/57/99/35/1061579935.db2.gz MHRIYMMFOMXLNY-BILGYAHESA-N 1 0 493.693 2.939 20 0 JFADRO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC001294101058 1061581631 /nfs/dbraw/zinc/58/16/31/1061581631.db2.gz PEINRLLSYYUGOL-UHFFFAOYSA-N 1 0 450.299 2.998 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001289901532 1061587217 /nfs/dbraw/zinc/58/72/17/1061587217.db2.gz GFFHWDDFQZINLX-OAQYLSRUSA-N 1 0 465.602 2.860 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286941364 1061589670 /nfs/dbraw/zinc/58/96/70/1061589670.db2.gz JMMIZAXYAVWBDE-XLIONFOSSA-N 1 0 472.977 2.836 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001286941473 1061590543 /nfs/dbraw/zinc/59/05/43/1061590543.db2.gz NUZISMGYBLQJJS-FQEVSTJZSA-N 1 0 479.629 2.731 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CCO1 ZINC001286942301 1061593920 /nfs/dbraw/zinc/59/39/20/1061593920.db2.gz UBHJSDRTGPMTQE-RTWAWAEBSA-N 1 0 463.026 2.916 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2Cc2cccc(C[NH+](C)C)c2)n1 ZINC001289909118 1061598134 /nfs/dbraw/zinc/59/81/34/1061598134.db2.gz LNYMXXKNPKAEKP-SFHVURJKSA-N 1 0 456.616 2.628 20 0 JFADRO C[NH+](C)Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)cc1F ZINC001294116953 1061599022 /nfs/dbraw/zinc/59/90/22/1061599022.db2.gz CFAITQZQFAQAEJ-UHFFFAOYSA-N 1 0 458.353 2.957 20 0 JFADRO CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294117350 1061599562 /nfs/dbraw/zinc/59/95/62/1061599562.db2.gz WOJVKSQAILLYCX-KNQAVFIVSA-N 1 0 475.682 2.766 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286943594 1061604175 /nfs/dbraw/zinc/60/41/75/1061604175.db2.gz VAAGDCLWXXHHHJ-CMKODMSKSA-N 1 0 458.582 2.546 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001289922313 1061615196 /nfs/dbraw/zinc/61/51/96/1061615196.db2.gz MFDVAVRVGMZAEG-SFHVURJKSA-N 1 0 492.550 2.884 20 0 JFADRO Cc1cccc(-c2nnc(N(C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)n2CCS(C)(=O)=O)n1 ZINC001289926419 1061617627 /nfs/dbraw/zinc/61/76/27/1061617627.db2.gz WOWXFMZPHWXCSW-NRFANRHFSA-N 1 0 468.627 2.651 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001289930976 1061620549 /nfs/dbraw/zinc/62/05/49/1061620549.db2.gz FLEIZTYTDZOSIY-PMACEKPBSA-N 1 0 452.607 2.869 20 0 JFADRO Cc1cccc(-c2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CCC(=O)NC(C)C)n1 ZINC001289931114 1061622204 /nfs/dbraw/zinc/62/22/04/1061622204.db2.gz HQBLHBAKIZDHIF-GBXCKJPGSA-N 1 0 493.660 2.816 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2CCCC[NH+]2CCC(C)CC2)n1 ZINC001289932190 1061624447 /nfs/dbraw/zinc/62/44/47/1061624447.db2.gz RSVRNWFFSVZRCO-UHFFFAOYSA-N 1 0 455.651 2.929 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCCOCc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001289932100 1061624477 /nfs/dbraw/zinc/62/44/77/1061624477.db2.gz PRQJPRYHQNMKSS-VWLOTQADSA-N 1 0 450.587 2.758 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001289947781 1061638122 /nfs/dbraw/zinc/63/81/22/1061638122.db2.gz KZAIERTXVVPWCK-CVEARBPZSA-N 1 0 465.524 2.636 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946767 1061638879 /nfs/dbraw/zinc/63/88/79/1061638879.db2.gz KJJWZBVRCRKEII-QUCCMNQESA-N 1 0 490.599 2.610 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946765 1061638895 /nfs/dbraw/zinc/63/88/95/1061638895.db2.gz KJJWZBVRCRKEII-ICSRJNTNSA-N 1 0 490.599 2.610 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286946906 1061639932 /nfs/dbraw/zinc/63/99/32/1061639932.db2.gz RPNJSRDQBUIGDH-PKTZIBPZSA-N 1 0 460.667 2.863 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286946905 1061639987 /nfs/dbraw/zinc/63/99/87/1061639987.db2.gz RPNJSRDQBUIGDH-GOTSBHOMSA-N 1 0 460.667 2.863 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001289948268 1061640315 /nfs/dbraw/zinc/64/03/15/1061640315.db2.gz VHQATRWVOYROQP-NRFANRHFSA-N 1 0 451.550 2.792 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCS(C)(=O)=O)n1 ZINC001289950058 1061642509 /nfs/dbraw/zinc/64/25/09/1061642509.db2.gz FCVTULAWQGLFQD-HXUWFJFHSA-N 1 0 468.627 2.794 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCN2CCOC[C@@H]2C)n1 ZINC001289950545 1061644865 /nfs/dbraw/zinc/64/48/65/1061644865.db2.gz HLZTTWUVFOUOLX-NRFANRHFSA-N 1 0 455.651 2.926 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001286948151 1061655149 /nfs/dbraw/zinc/65/51/49/1061655149.db2.gz ZNFCCVYCIVFWJD-YEEURNOCSA-N 1 0 482.673 2.915 20 0 JFADRO CC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286949472 1061671357 /nfs/dbraw/zinc/67/13/57/1061671357.db2.gz JVYKUHFGKFEWHN-UHFFFAOYSA-N 1 0 456.591 2.553 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001289971510 1061676242 /nfs/dbraw/zinc/67/62/42/1061676242.db2.gz CFQNUQAIPCJUGQ-SFTDATJTSA-N 1 0 489.690 2.535 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001289971508 1061676260 /nfs/dbraw/zinc/67/62/60/1061676260.db2.gz CFQNUQAIPCJUGQ-NHCUHLMSSA-N 1 0 489.690 2.535 20 0 JFADRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1I ZINC001294173140 1061677471 /nfs/dbraw/zinc/67/74/71/1061677471.db2.gz JJVOOGQNDICNNF-UHFFFAOYSA-N 1 0 455.134 2.752 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001289972290 1061679774 /nfs/dbraw/zinc/67/97/74/1061679774.db2.gz JSEIBXNRROLQSF-ICSRJNTNSA-N 1 0 460.648 2.784 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001286950879 1061685089 /nfs/dbraw/zinc/68/50/89/1061685089.db2.gz ATGGSSMXWIKATR-CEWLAPEOSA-N 1 0 489.665 2.592 20 0 JFADRO CC(=O)NCCCn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286950956 1061686151 /nfs/dbraw/zinc/68/61/51/1061686151.db2.gz OMRFQOVWQDGCQH-UHFFFAOYSA-N 1 0 497.463 2.596 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)c4ccccc4F)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289974116 1061687673 /nfs/dbraw/zinc/68/76/73/1061687673.db2.gz ZNPWLZBIBSENRR-UHFFFAOYSA-N 1 0 495.603 2.718 20 0 JFADRO CC(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286951945 1061693462 /nfs/dbraw/zinc/69/34/62/1061693462.db2.gz MEPDVOQBPSOFEK-JOCHJYFZSA-N 1 0 470.618 2.875 20 0 JFADRO CC(=O)NCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001286952416 1061696864 /nfs/dbraw/zinc/69/68/64/1061696864.db2.gz PQAXFALSQFOWKI-UHFFFAOYSA-N 1 0 491.681 2.697 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC[N@H+]2CC=CCC2)n1 ZINC001289978523 1061697413 /nfs/dbraw/zinc/69/74/13/1061697413.db2.gz BIDXEGGZDDMASV-UHFFFAOYSA-N 1 0 453.591 2.968 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289978924 1061699598 /nfs/dbraw/zinc/69/95/98/1061699598.db2.gz HWUPCJQGUSOIKO-BKMJKUGQSA-N 1 0 483.661 2.579 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001294190233 1061700288 /nfs/dbraw/zinc/70/02/88/1061700288.db2.gz UDZWVJOBGOGMGR-SFHVURJKSA-N 1 0 455.502 2.717 20 0 JFADRO CCCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CC[NH+]1CCSCC1 ZINC001294193076 1061702468 /nfs/dbraw/zinc/70/24/68/1061702468.db2.gz QGZPNVLYSWKDSE-UHFFFAOYSA-N 1 0 455.632 2.960 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(c4ccccc4F)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289980796 1061702757 /nfs/dbraw/zinc/70/27/57/1061702757.db2.gz JDHKAZKULDFRPE-UHFFFAOYSA-N 1 0 453.566 2.692 20 0 JFADRO CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286954159 1061703797 /nfs/dbraw/zinc/70/37/97/1061703797.db2.gz CTOMCKIKCZYHCP-UHFFFAOYSA-N 1 0 458.582 2.977 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001294196564 1061704112 /nfs/dbraw/zinc/70/41/12/1061704112.db2.gz PFSZEPPLUYHJHM-CTNGQTDRSA-N 1 0 494.662 2.668 20 0 JFADRO CCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001294196566 1061704960 /nfs/dbraw/zinc/70/49/60/1061704960.db2.gz PFSZEPPLUYHJHM-PZJWPPBQSA-N 1 0 494.662 2.668 20 0 JFADRO C[C@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201221 1061707393 /nfs/dbraw/zinc/70/73/93/1061707393.db2.gz IBFBNHZVFKSTMY-DWLFOUALSA-N 1 0 455.603 2.966 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCN(C)CC(F)(F)F)n1 ZINC001289985235 1061708986 /nfs/dbraw/zinc/70/89/86/1061708986.db2.gz HTMUPEGLGHCJKV-UHFFFAOYSA-N 1 0 469.556 2.690 20 0 JFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 ZINC001294204850 1061709440 /nfs/dbraw/zinc/70/94/40/1061709440.db2.gz MQYGPXSYXWLDHA-HNNXBMFYSA-N 1 0 457.356 2.542 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001294208465 1061710859 /nfs/dbraw/zinc/71/08/59/1061710859.db2.gz DSCPVRMFAWYMQM-JOCHJYFZSA-N 1 0 462.683 2.841 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2C)CC1 ZINC001294207072 1061710991 /nfs/dbraw/zinc/71/09/91/1061710991.db2.gz WNPMKKWAJPNMJA-UHFFFAOYSA-N 1 0 479.633 2.964 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001294208668 1061711205 /nfs/dbraw/zinc/71/12/05/1061711205.db2.gz HMZRNDFSTDQLGX-UHFFFAOYSA-N 1 0 481.707 2.824 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001294209028 1061711963 /nfs/dbraw/zinc/71/19/63/1061711963.db2.gz MQGIIRIBCUHCQZ-VSKRKVRLSA-N 1 0 481.707 2.944 20 0 JFADRO CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001286955940 1061711860 /nfs/dbraw/zinc/71/18/60/1061711860.db2.gz VEYSRLINNLQFRU-FQEVSTJZSA-N 1 0 458.582 2.835 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 ZINC001294209868 1061714127 /nfs/dbraw/zinc/71/41/27/1061714127.db2.gz CCMQCCBZORUTPO-RUZDIDTESA-N 1 0 454.619 2.998 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnn(C)n2)CC1 ZINC001294211072 1061715759 /nfs/dbraw/zinc/71/57/59/1061715759.db2.gz QGTGXQKHVUAFMQ-UHFFFAOYSA-N 1 0 455.586 2.528 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001294211482 1061717345 /nfs/dbraw/zinc/71/73/45/1061717345.db2.gz TZHLVLHZDVJXIN-UHFFFAOYSA-N 1 0 453.635 2.963 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294214306 1061722613 /nfs/dbraw/zinc/72/26/13/1061722613.db2.gz GSHJDZFEEDYCKT-GOSISDBHSA-N 1 0 497.413 2.530 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294214651 1061723270 /nfs/dbraw/zinc/72/32/70/1061723270.db2.gz KGLPJPOUKWLCKK-GOSISDBHSA-N 1 0 483.592 2.946 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294215100 1061723921 /nfs/dbraw/zinc/72/39/21/1061723921.db2.gz QHGXLYMUYAAOAF-MSOLQXFVSA-N 1 0 459.570 2.503 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294214943 1061724317 /nfs/dbraw/zinc/72/43/17/1061724317.db2.gz OIFPWBAUZFDYML-HXUWFJFHSA-N 1 0 480.411 2.799 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294216309 1061725383 /nfs/dbraw/zinc/72/53/83/1061725383.db2.gz ZMFVUMVQTJDVOS-UHFFFAOYSA-N 1 0 493.450 2.735 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(OC)C1 ZINC001294217115 1061727197 /nfs/dbraw/zinc/72/71/97/1061727197.db2.gz AZCPIBUJKNGYDJ-HSZRJFAPSA-N 1 0 453.595 2.658 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(OC)C1 ZINC001294217116 1061727362 /nfs/dbraw/zinc/72/73/62/1061727362.db2.gz AZCPIBUJKNGYDJ-QHCPKHFHSA-N 1 0 453.595 2.658 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294217248 1061727763 /nfs/dbraw/zinc/72/77/63/1061727763.db2.gz FNMSZBSALJGTBI-WOJBJXKFSA-N 1 0 470.618 2.942 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294217418 1061728928 /nfs/dbraw/zinc/72/89/28/1061728928.db2.gz HABHAYBUPLPLJU-PXDATVDWSA-N 1 0 497.688 2.674 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C ZINC001294218029 1061729673 /nfs/dbraw/zinc/72/96/73/1061729673.db2.gz XGUQLOIGIDNFLV-HXUWFJFHSA-N 1 0 486.646 2.551 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294219072 1061730333 /nfs/dbraw/zinc/73/03/33/1061730333.db2.gz VXLSWGSSSHYVBI-RTWAWAEBSA-N 1 0 470.618 2.942 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294219616 1061731219 /nfs/dbraw/zinc/73/12/19/1061731219.db2.gz ZRRRNMHICDINTH-DEOSSOPVSA-N 1 0 491.658 2.709 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@H](C)C1 ZINC001294221999 1061732819 /nfs/dbraw/zinc/73/28/19/1061732819.db2.gz ZRDBKISFUSLDOW-GOSISDBHSA-N 1 0 463.652 2.585 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294221978 1061732885 /nfs/dbraw/zinc/73/28/85/1061732885.db2.gz YXSKHWKXSQZQBO-UHFFFAOYSA-N 1 0 467.540 2.967 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001294223125 1061733328 /nfs/dbraw/zinc/73/33/28/1061733328.db2.gz BUZQYRUGKPVNSE-QFIPXVFZSA-N 1 0 470.618 2.920 20 0 JFADRO CCCCn1c(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC001294222948 1061733494 /nfs/dbraw/zinc/73/34/94/1061733494.db2.gz FOVPIDWPGLLPHG-MSOLQXFVSA-N 1 0 458.607 2.527 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001294224683 1061735595 /nfs/dbraw/zinc/73/55/95/1061735595.db2.gz WVCHRLDRPFMVFQ-UXHICEINSA-N 1 0 462.545 2.817 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001294224685 1061735747 /nfs/dbraw/zinc/73/57/47/1061735747.db2.gz WVCHRLDRPFMVFQ-WOJBJXKFSA-N 1 0 462.545 2.817 20 0 JFADRO CC1CC[NH+]([C@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c2cccs2)CC1 ZINC001290021249 1061743188 /nfs/dbraw/zinc/74/31/88/1061743188.db2.gz CMGIMUSSRVPUQP-GOSISDBHSA-N 1 0 454.593 2.536 20 0 JFADRO COc1ccccc1[C@H](CNC(=O)c1c(I)cnn1C)[NH+]1CCCC1 ZINC001290021555 1061743735 /nfs/dbraw/zinc/74/37/35/1061743735.db2.gz KSCZJODCQIYTCZ-HNNXBMFYSA-N 1 0 454.312 2.600 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001294228552 1061743829 /nfs/dbraw/zinc/74/38/29/1061743829.db2.gz PSEWNKYLUMSHHN-JOCHJYFZSA-N 1 0 485.608 2.507 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294228968 1061744664 /nfs/dbraw/zinc/74/46/64/1061744664.db2.gz JMLSVAIOGBOUSU-NRFANRHFSA-N 1 0 455.651 2.656 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001294230690 1061747740 /nfs/dbraw/zinc/74/77/40/1061747740.db2.gz ZRXRUYDWWBAGSG-HFMPRLQTSA-N 1 0 459.639 2.644 20 0 JFADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286971306 1061748890 /nfs/dbraw/zinc/74/88/90/1061748890.db2.gz HUEPJGIRKIKWKU-HSZRJFAPSA-N 1 0 496.704 2.516 20 0 JFADRO COc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC001294239294 1061751015 /nfs/dbraw/zinc/75/10/15/1061751015.db2.gz OPXUTSCTCSYCDD-AREMUKBSSA-N 1 0 451.567 2.948 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H]3CCC(F)(F)C3)CC2)c1 ZINC001290034702 1061751350 /nfs/dbraw/zinc/75/13/50/1061751350.db2.gz XCVHIOIMOIMKAD-UYAOXDASSA-N 1 0 496.628 2.954 20 0 JFADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+](C)C)CC2)c1C ZINC001290038328 1061755774 /nfs/dbraw/zinc/75/57/74/1061755774.db2.gz XCSYOYKGUIEUCO-UHFFFAOYSA-N 1 0 455.651 2.948 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001290045913 1061763393 /nfs/dbraw/zinc/76/33/93/1061763393.db2.gz AFRVHCIYMZHTAE-IFMALSPDSA-N 1 0 475.659 2.909 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001290047704 1061767792 /nfs/dbraw/zinc/76/77/92/1061767792.db2.gz SLJZJANXPCYIRP-QFIPXVFZSA-N 1 0 484.645 2.725 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286974385 1061768593 /nfs/dbraw/zinc/76/85/93/1061768593.db2.gz FAFJAWUMFVSCSS-WOJBJXKFSA-N 1 0 496.681 2.621 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001286975028 1061772726 /nfs/dbraw/zinc/77/27/26/1061772726.db2.gz AGUWHBGRVOTILI-RTWAWAEBSA-N 1 0 488.702 2.621 20 0 JFADRO CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294282004 1061773316 /nfs/dbraw/zinc/77/33/16/1061773316.db2.gz WBBOISKVAPLIHL-YADHBBJMSA-N 1 0 490.674 2.512 20 0 JFADRO CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294289740 1061776153 /nfs/dbraw/zinc/77/61/53/1061776153.db2.gz OQSGTBDFINMVQK-HXUWFJFHSA-N 1 0 470.618 2.799 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290058062 1061777875 /nfs/dbraw/zinc/77/78/75/1061777875.db2.gz BZSQMNRZZIZXOX-PMACEKPBSA-N 1 0 454.619 2.988 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286976328 1061783432 /nfs/dbraw/zinc/78/34/32/1061783432.db2.gz DEIRSKQUWCELBO-GGPKGHCWSA-N 1 0 475.663 2.790 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001286976416 1061783847 /nfs/dbraw/zinc/78/38/47/1061783847.db2.gz ONVYZUMMXDRMKK-WSTZPKSXSA-N 1 0 462.664 2.642 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290064505 1061788925 /nfs/dbraw/zinc/78/89/25/1061788925.db2.gz SWXAXFLZZXEDOH-SANMLTNESA-N 1 0 497.644 2.710 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294306083 1061793531 /nfs/dbraw/zinc/79/35/31/1061793531.db2.gz BFTWAZVUHXTVQA-MOPGFXCFSA-N 1 0 470.618 2.929 20 0 JFADRO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCSCC2)CC1 ZINC001286978049 1061795154 /nfs/dbraw/zinc/79/51/54/1061795154.db2.gz RCFRBWSPWXOHNH-UHFFFAOYSA-N 1 0 492.640 2.891 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCCC1 ZINC001286978151 1061796605 /nfs/dbraw/zinc/79/66/05/1061796605.db2.gz UYOHZEDAQKYJSA-SJORKVTESA-N 1 0 469.602 2.891 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)c1 ZINC001290071443 1061797427 /nfs/dbraw/zinc/79/74/27/1061797427.db2.gz MLIZORXPIXVKPK-QUCCMNQESA-N 1 0 452.559 2.728 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294309177 1061797922 /nfs/dbraw/zinc/79/79/22/1061797922.db2.gz SFGDXSDLFKXMHE-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286978372 1061798009 /nfs/dbraw/zinc/79/80/09/1061798009.db2.gz JFAQPHZMUVLDQF-VWKPWSFCSA-N 1 0 469.652 2.779 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294310661 1061800645 /nfs/dbraw/zinc/80/06/45/1061800645.db2.gz ISLDIRGPSFHPRG-FCHUYYIVSA-N 1 0 484.645 2.950 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294310663 1061801375 /nfs/dbraw/zinc/80/13/75/1061801375.db2.gz ISLDIRGPSFHPRG-FGZHOGPDSA-N 1 0 484.645 2.950 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294311678 1061802149 /nfs/dbraw/zinc/80/21/49/1061802149.db2.gz NOSAOIHLZYXCNX-HXUWFJFHSA-N 1 0 456.639 2.790 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CC(=O)N(C)C)c1 ZINC001290073693 1061802312 /nfs/dbraw/zinc/80/23/12/1061802312.db2.gz LJDRINHIAAGZDP-UHFFFAOYSA-N 1 0 454.619 2.956 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312057 1061803354 /nfs/dbraw/zinc/80/33/54/1061803354.db2.gz SPQAPLOAKCKUAM-HXUWFJFHSA-N 1 0 452.669 2.576 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312137 1061803633 /nfs/dbraw/zinc/80/36/33/1061803633.db2.gz VEVOZRURDMXNSN-OAQYLSRUSA-N 1 0 489.690 2.760 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312321 1061803996 /nfs/dbraw/zinc/80/39/96/1061803996.db2.gz YMFWYXYJUPLJHS-FGZHOGPDSA-N 1 0 487.693 2.967 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC[N@H+](C)C2CCCC2)c1 ZINC001290075236 1061803968 /nfs/dbraw/zinc/80/39/68/1061803968.db2.gz UIXRNPIQQZGLOV-FQEVSTJZSA-N 1 0 490.674 2.510 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001290075243 1061804108 /nfs/dbraw/zinc/80/41/08/1061804108.db2.gz UTNDGXZZSTVQNS-GOSISDBHSA-N 1 0 476.572 2.857 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294315169 1061806952 /nfs/dbraw/zinc/80/69/52/1061806952.db2.gz ANTIIJCEODBBAN-NHCUHLMSSA-N 1 0 482.695 2.644 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001294315530 1061807452 /nfs/dbraw/zinc/80/74/52/1061807452.db2.gz KCEATAXXNZNBKU-NCYKPQTJSA-N 1 0 467.680 2.839 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001286979543 1061808069 /nfs/dbraw/zinc/80/80/69/1061808069.db2.gz VIWFFFPBHSWTIZ-SBHAEUEKSA-N 1 0 459.660 2.805 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001294315671 1061808245 /nfs/dbraw/zinc/80/82/45/1061808245.db2.gz COUPAPPLOSJJAL-BHDDXSALSA-N 1 0 487.693 2.767 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc(COc4cccc(C)c4)n3C[C@@H](C)[NH+](C)C)CCO2)c1 ZINC001290078111 1061808417 /nfs/dbraw/zinc/80/84/17/1061808417.db2.gz RSOSGGBAYYIWKT-IRLDBZIGSA-N 1 0 453.591 2.526 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 ZINC001294316065 1061809889 /nfs/dbraw/zinc/80/98/89/1061809889.db2.gz NBXSBOSVMHSZDA-PWRODBHTSA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316807 1061811489 /nfs/dbraw/zinc/81/14/89/1061811489.db2.gz IBLXNDACHGEMMC-NIJXNBFTSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294317022 1061812262 /nfs/dbraw/zinc/81/22/62/1061812262.db2.gz JIXPDXSNNPMXDU-ZRBLBEILSA-N 1 0 476.666 2.715 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294317952 1061816828 /nfs/dbraw/zinc/81/68/28/1061816828.db2.gz ZDDYTJUVYKQQJC-KURKYZTESA-N 1 0 493.596 2.602 20 0 JFADRO Cc1cccc(OCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC001290086571 1061818832 /nfs/dbraw/zinc/81/88/32/1061818832.db2.gz SVXSAQYYQULYHT-QFIPXVFZSA-N 1 0 468.646 2.997 20 0 JFADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290095183 1061826605 /nfs/dbraw/zinc/82/66/05/1061826605.db2.gz MBIJFMGYJCUDSK-UXHICEINSA-N 1 0 475.659 2.797 20 0 JFADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290095442 1061828182 /nfs/dbraw/zinc/82/81/82/1061828182.db2.gz NPHHDYYAEWKUTA-NHCUHLMSSA-N 1 0 454.619 2.753 20 0 JFADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001286983125 1061831462 /nfs/dbraw/zinc/83/14/62/1061831462.db2.gz XVYXUXFYSGXABG-BDTNDASRSA-N 1 0 490.693 2.540 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001290104657 1061833781 /nfs/dbraw/zinc/83/37/81/1061833781.db2.gz ZBPVRDRWFAJNFC-SFHVURJKSA-N 1 0 460.648 2.596 20 0 JFADRO CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCCC2)CC1 ZINC001286983261 1061834185 /nfs/dbraw/zinc/83/41/85/1061834185.db2.gz XPSKPFDQRUAONS-WOJBJXKFSA-N 1 0 460.667 2.987 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1 ZINC001294328608 1061845166 /nfs/dbraw/zinc/84/51/66/1061845166.db2.gz DUJUDTHHZNMAPV-HBMCJLEFSA-N 1 0 473.666 2.626 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290118140 1061847066 /nfs/dbraw/zinc/84/70/66/1061847066.db2.gz IWMQEZXBEWEMKN-NRFANRHFSA-N 1 0 476.691 2.995 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290129624 1061862684 /nfs/dbraw/zinc/86/26/84/1061862684.db2.gz LHVJHLMLEBNOHT-UHFFFAOYSA-N 1 0 468.646 2.793 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290129766 1061862779 /nfs/dbraw/zinc/86/27/79/1061862779.db2.gz MNLKRFVYQLRPFJ-FQEVSTJZSA-N 1 0 454.619 2.526 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001286986720 1061864786 /nfs/dbraw/zinc/86/47/86/1061864786.db2.gz ULYVDSIVZDXPOF-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286987568 1061871349 /nfs/dbraw/zinc/87/13/49/1061871349.db2.gz WZFVBQAFUQLUFN-PZJWPPBQSA-N 1 0 460.667 2.771 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001294340931 1061886183 /nfs/dbraw/zinc/88/61/83/1061886183.db2.gz AULCZKIIEPGRBG-PCCBWWKXSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001294340933 1061886223 /nfs/dbraw/zinc/88/62/23/1061886223.db2.gz AULCZKIIEPGRBG-QHAWAJNXSA-N 1 0 468.650 2.988 20 0 JFADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001290146704 1061889340 /nfs/dbraw/zinc/88/93/40/1061889340.db2.gz YHEHWBHMMQPNEW-IRLDBZIGSA-N 1 0 475.659 2.797 20 0 JFADRO COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnn(CC[NH+](C)C)c3)ccc2C)cc1 ZINC001290159466 1061901375 /nfs/dbraw/zinc/90/13/75/1061901375.db2.gz SFGUHQVKBXYOSY-UHFFFAOYSA-N 1 0 457.556 2.815 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290159534 1061901596 /nfs/dbraw/zinc/90/15/96/1061901596.db2.gz SXDGMRHNHAAIIB-DEOSSOPVSA-N 1 0 482.673 2.719 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001290164634 1061905412 /nfs/dbraw/zinc/90/54/12/1061905412.db2.gz GNNKOCTXJWLETM-UHFFFAOYSA-N 1 0 474.675 2.571 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](NC(=O)C(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001290167029 1061910491 /nfs/dbraw/zinc/91/04/91/1061910491.db2.gz MOOSPEDQHRLYNK-QFIPXVFZSA-N 1 0 470.687 2.967 20 0 JFADRO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001286998124 1061910614 /nfs/dbraw/zinc/91/06/14/1061910614.db2.gz LAYWTVDXOYGJSI-FQEVSTJZSA-N 1 0 454.619 2.800 20 0 JFADRO CC(C)(C)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001286998157 1061911009 /nfs/dbraw/zinc/91/10/09/1061911009.db2.gz LXMPBTXOHGQVAX-HXUWFJFHSA-N 1 0 474.675 2.866 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001286998557 1061911586 /nfs/dbraw/zinc/91/15/86/1061911586.db2.gz BJWLGLMVBPKNQO-UHFFFAOYSA-N 1 0 486.636 2.622 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001294348884 1061911720 /nfs/dbraw/zinc/91/17/20/1061911720.db2.gz ISXUYXGRISCGKT-OAQYLSRUSA-N 1 0 473.666 2.566 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001290168404 1061911865 /nfs/dbraw/zinc/91/18/65/1061911865.db2.gz XQCNYPALFHPNSZ-JOCHJYFZSA-N 1 0 474.675 2.570 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCNS(C)(=O)=O ZINC001290168331 1061911926 /nfs/dbraw/zinc/91/19/26/1061911926.db2.gz WZGJMGODAQIBEY-JOCHJYFZSA-N 1 0 488.702 2.819 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001286999090 1061912187 /nfs/dbraw/zinc/91/21/87/1061912187.db2.gz YAMFPBLWBGGNEN-UHFFFAOYSA-N 1 0 481.707 2.872 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294349010 1061912541 /nfs/dbraw/zinc/91/25/41/1061912541.db2.gz MTTGHSUOIHWVMQ-SFTDATJTSA-N 1 0 487.693 2.654 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001290172952 1061917070 /nfs/dbraw/zinc/91/70/70/1061917070.db2.gz AQAHTTZFBMWHTC-UHFFFAOYSA-N 1 0 481.689 2.508 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001294356812 1061923672 /nfs/dbraw/zinc/92/36/72/1061923672.db2.gz AVHLBTAPEWQOLF-OAQYLSRUSA-N 1 0 487.693 2.654 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001294357078 1061924857 /nfs/dbraw/zinc/92/48/57/1061924857.db2.gz HVDIAYOZGMRUQY-UHFFFAOYSA-N 1 0 462.683 2.845 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001290177965 1061926760 /nfs/dbraw/zinc/92/67/60/1061926760.db2.gz ZBAXDXBYMMCWQC-OAQYLSRUSA-N 1 0 474.675 2.523 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001294358243 1061928722 /nfs/dbraw/zinc/92/87/22/1061928722.db2.gz NOPYABSFNOYNDL-LJQANCHMSA-N 1 0 454.623 2.600 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001287007293 1061930570 /nfs/dbraw/zinc/93/05/70/1061930570.db2.gz LREYBWVAABMXAS-UHFFFAOYSA-N 1 0 460.573 2.841 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001294359378 1061931038 /nfs/dbraw/zinc/93/10/38/1061931038.db2.gz PMIZXFJRPHVHMP-MOPGFXCFSA-N 1 0 487.674 2.726 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287007809 1061932156 /nfs/dbraw/zinc/93/21/56/1061932156.db2.gz SHVUPRRUJWUVRY-VWLOTQADSA-N 1 0 489.064 2.881 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001290197447 1061938515 /nfs/dbraw/zinc/93/85/15/1061938515.db2.gz SQIKTEWMBSFIQZ-UHFFFAOYSA-N 1 0 464.618 2.650 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)CC1 ZINC001290197823 1061939326 /nfs/dbraw/zinc/93/93/26/1061939326.db2.gz YYSBLSPRQASSEO-UHFFFAOYSA-N 1 0 463.586 2.717 20 0 JFADRO Cc1ccccc1O[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001290198533 1061940010 /nfs/dbraw/zinc/94/00/10/1061940010.db2.gz CGSSBWVIAQPLRE-RTWAWAEBSA-N 1 0 454.619 2.920 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294371292 1061939936 /nfs/dbraw/zinc/93/99/36/1061939936.db2.gz MJBVAPCROBXJQG-BVZFJXPGSA-N 1 0 470.618 2.942 20 0 JFADRO CC(C)(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287013525 1061947098 /nfs/dbraw/zinc/94/70/98/1061947098.db2.gz BOYKEQHOSQHVTC-MOPGFXCFSA-N 1 0 474.675 2.989 20 0 JFADRO CC(C)(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287013528 1061947151 /nfs/dbraw/zinc/94/71/51/1061947151.db2.gz BOYKEQHOSQHVTC-RBUKOAKNSA-N 1 0 474.675 2.989 20 0 JFADRO Cc1ccccc1OCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001290206321 1061951357 /nfs/dbraw/zinc/95/13/57/1061951357.db2.gz IFPZMUFHQXPPFZ-FQEVSTJZSA-N 1 0 475.659 2.925 20 0 JFADRO 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ZINC001294407889 1061974140 /nfs/dbraw/zinc/97/41/40/1061974140.db2.gz ZCJRKJWUHMAXRP-INIZCTEOSA-N 1 0 452.393 2.761 20 0 JFADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC001290228565 1061975715 /nfs/dbraw/zinc/97/57/15/1061975715.db2.gz CIXPYDWCCDKJMT-NHCUHLMSSA-N 1 0 499.660 2.667 20 0 JFADRO Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001290230130 1061978604 /nfs/dbraw/zinc/97/86/04/1061978604.db2.gz ZGGSNNWLRYPQLN-UHFFFAOYSA-N 1 0 453.616 2.988 20 0 JFADRO C[NH+](C)CCCN(C(=O)c1cc(-c2ccccc2C(F)(F)F)on1)[C@@H]1CCS(=O)(=O)C1 ZINC001294414268 1061979029 /nfs/dbraw/zinc/97/90/29/1061979029.db2.gz JHAHGTPZDTUCJC-CQSZACIVSA-N 1 0 459.490 2.941 20 0 JFADRO C[NH+](C)CCCN(C(=O)C(F)(F)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001294413718 1061979242 /nfs/dbraw/zinc/97/92/42/1061979242.db2.gz COKCFKIXRUFNSE-OAHLLOKOSA-N 1 0 453.349 2.508 20 0 JFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001294413979 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Cc1nc(Cc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290410479 1062127183 /nfs/dbraw/zinc/12/71/83/1062127183.db2.gz DUSBQKWAIJFJEC-GOEBONIOSA-N 1 0 485.580 2.623 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290413199 1062131894 /nfs/dbraw/zinc/13/18/94/1062131894.db2.gz BVVACHAXLGJLAW-ABSDTBQOSA-N 1 0 459.664 2.811 20 0 JFADRO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1 ZINC001294629343 1062134542 /nfs/dbraw/zinc/13/45/42/1062134542.db2.gz DWOQIFWDXASIBF-CRAIPNDOSA-N 1 0 456.609 2.547 20 0 JFADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1 ZINC001294629344 1062134723 /nfs/dbraw/zinc/13/47/23/1062134723.db2.gz DWOQIFWDXASIBF-MAUKXSAKSA-N 1 0 456.609 2.547 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001294632496 1062140167 /nfs/dbraw/zinc/14/01/67/1062140167.db2.gz JAOKWFOGHSBHOQ-FQEVSTJZSA-N 1 0 491.681 2.984 20 0 JFADRO 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CCC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001294637219 1062149871 /nfs/dbraw/zinc/14/98/71/1062149871.db2.gz CKBKGEJDYPRRRN-MRXNPFEDSA-N 1 0 496.628 2.851 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001294638124 1062153002 /nfs/dbraw/zinc/15/30/02/1062153002.db2.gz NAHXUJREDSTRCP-UNMCSNQZSA-N 1 0 470.618 2.731 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC3(CCC3)C[C@@H]2CC)C1 ZINC001294639844 1062156483 /nfs/dbraw/zinc/15/64/83/1062156483.db2.gz XUWXAGXZOZGVKN-QYZOEREBSA-N 1 0 452.669 2.779 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294640846 1062158373 /nfs/dbraw/zinc/15/83/73/1062158373.db2.gz GSKOHVJDNLLLDK-DOTOQJQBSA-N 1 0 499.479 2.781 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@@H](c3ccccc3)C2)C1 ZINC001294640819 1062158556 /nfs/dbraw/zinc/15/85/56/1062158556.db2.gz GFEWZNPWQBKFTA-RZUBCFFCSA-N 1 0 490.674 2.588 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294640779 1062158582 /nfs/dbraw/zinc/15/85/82/1062158582.db2.gz FMWCOZYPPHETCG-MRXNPFEDSA-N 1 0 461.408 2.766 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294640848 1062158652 /nfs/dbraw/zinc/15/86/52/1062158652.db2.gz GSKOHVJDNLLLDK-RDJZCZTQSA-N 1 0 499.479 2.781 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC001290422220 1062161627 /nfs/dbraw/zinc/16/16/27/1062161627.db2.gz WNYSFSIUXKVETK-VQIMIIECSA-N 1 0 480.704 2.768 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641302 1062161994 /nfs/dbraw/zinc/16/19/94/1062161994.db2.gz LUCOUFWDKIYMCY-FMWKFLBASA-N 1 0 478.638 2.562 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641305 1062162134 /nfs/dbraw/zinc/16/21/34/1062162134.db2.gz LUCOUFWDKIYMCY-VURPSTOHSA-N 1 0 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Cc1nc(CN2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@@H+](C(C)C)C3)CC2)cs1 ZINC001290469267 1062258339 /nfs/dbraw/zinc/25/83/39/1062258339.db2.gz XFJPLQXCVHSNGC-FQEVSTJZSA-N 1 0 488.706 2.624 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294697592 1062259536 /nfs/dbraw/zinc/25/95/36/1062259536.db2.gz HZWUOXVCMHKCQL-JTHBVZDNSA-N 1 0 496.704 2.950 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)cs1 ZINC001290469564 1062259736 /nfs/dbraw/zinc/25/97/36/1062259736.db2.gz QPSYGELQGXUZKZ-OAQYLSRUSA-N 1 0 471.679 2.742 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001294698214 1062260758 /nfs/dbraw/zinc/26/07/58/1062260758.db2.gz IYOIIFAKBNJJOU-FQEVSTJZSA-N 1 0 457.623 2.517 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1CCOCC1 ZINC001294698210 1062261068 /nfs/dbraw/zinc/26/10/68/1062261068.db2.gz IWZDQIIWWBJFHR-NRFANRHFSA-N 1 0 456.635 2.987 20 0 JFADRO Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)CC2)cs1 ZINC001290470221 1062261603 /nfs/dbraw/zinc/26/16/03/1062261603.db2.gz YSIMPSSRNYTOKJ-UHFFFAOYSA-N 1 0 481.692 2.552 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294699320 1062263308 /nfs/dbraw/zinc/26/33/08/1062263308.db2.gz OREQPDUVAQPQKG-WOJBJXKFSA-N 1 0 458.611 2.658 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001294699628 1062264225 /nfs/dbraw/zinc/26/42/25/1062264225.db2.gz RDWVETUHTPXXKP-QGZVFWFLSA-N 1 0 473.622 2.621 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294699921 1062265188 /nfs/dbraw/zinc/26/51/88/1062265188.db2.gz PZFLOWZOAAXYSJ-SFHVURJKSA-N 1 0 461.014 2.719 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCCCCC1 ZINC001287087089 1062266063 /nfs/dbraw/zinc/26/60/63/1062266063.db2.gz MHAFCZPLQZASJB-NHCUHLMSSA-N 1 0 496.722 2.544 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294701051 1062266552 /nfs/dbraw/zinc/26/65/52/1062266552.db2.gz ZWNWXIMEXUYXAS-HXUWFJFHSA-N 1 0 452.669 2.718 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001290477202 1062268736 /nfs/dbraw/zinc/26/87/36/1062268736.db2.gz ZNBWSDIUOXOWKT-XMMPIXPASA-N 1 0 492.690 2.955 20 0 JFADRO COc1cc(NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)c(C(=O)N(C)C)cc1OC ZINC001290478510 1062269196 /nfs/dbraw/zinc/26/91/96/1062269196.db2.gz CIOLZFYIFIVFTB-UHFFFAOYSA-N 1 0 454.571 2.865 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 ZINC001294707701 1062271815 /nfs/dbraw/zinc/27/18/15/1062271815.db2.gz FUUIBGZXPKXSSU-GOSISDBHSA-N 1 0 491.434 2.820 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294707720 1062271862 /nfs/dbraw/zinc/27/18/62/1062271862.db2.gz AIOBDAOTUODWEQ-MOPGFXCFSA-N 1 0 458.582 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294707880 1062272898 /nfs/dbraw/zinc/27/28/98/1062272898.db2.gz BTAWIJKFIBSYRC-ZEVJAHDQSA-N 1 0 490.693 2.936 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294708107 1062273338 /nfs/dbraw/zinc/27/33/38/1062273338.db2.gz CIDWYPWQDHQBFF-SFHLNBCPSA-N 1 0 489.592 2.621 20 0 JFADRO CC(C)(C)[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287089178 1062274812 /nfs/dbraw/zinc/27/48/12/1062274812.db2.gz RFQQYCBFPHCATH-HYJWCJBQSA-N 1 0 481.066 2.699 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708585 1062275400 /nfs/dbraw/zinc/27/54/00/1062275400.db2.gz SMQYPJUZHFMSKO-IRLDBZIGSA-N 1 0 496.722 2.687 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294708890 1062276312 /nfs/dbraw/zinc/27/63/12/1062276312.db2.gz SNDWKTKNRNPWNU-NTKDMRAZSA-N 1 0 459.639 2.556 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294709419 1062277678 /nfs/dbraw/zinc/27/76/78/1062277678.db2.gz LOEZQHPOEPDUQQ-CTNGQTDRSA-N 1 0 454.619 2.809 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294709504 1062277764 /nfs/dbraw/zinc/27/77/64/1062277764.db2.gz MTCWKBOVQAIESD-HXUWFJFHSA-N 1 0 461.632 2.665 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001294710788 1062278818 /nfs/dbraw/zinc/27/88/18/1062278818.db2.gz MHZKQXAZTLBCRK-HXUWFJFHSA-N 1 0 486.646 2.937 20 0 JFADRO CC(C)(C)[S@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001287090305 1062281422 /nfs/dbraw/zinc/28/14/22/1062281422.db2.gz XCSMUWXHXNPFST-QTYPKTMWSA-N 1 0 467.680 2.616 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294712705 1062283344 /nfs/dbraw/zinc/28/33/44/1062283344.db2.gz STRWRMIJTHHSFX-SLFFLAALSA-N 1 0 453.653 2.798 20 0 JFADRO Cc1nccc(N2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001290496318 1062284677 /nfs/dbraw/zinc/28/46/77/1062284677.db2.gz JEBONDJMNAYOAV-ROUUACIJSA-N 1 0 468.581 2.932 20 0 JFADRO Cc1nccc(N2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001290496317 1062284916 /nfs/dbraw/zinc/28/49/16/1062284916.db2.gz JEBONDJMNAYOAV-QZTJIDSGSA-N 1 0 468.581 2.932 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294713391 1062285511 /nfs/dbraw/zinc/28/55/11/1062285511.db2.gz VTRGGFPRIHCHAC-YOSAUDMPSA-N 1 0 463.623 2.584 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294713611 1062286938 /nfs/dbraw/zinc/28/69/38/1062286938.db2.gz ZSSVJJXFEFKPAC-UXHICEINSA-N 1 0 489.665 2.768 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713617 1062287521 /nfs/dbraw/zinc/28/75/21/1062287521.db2.gz ZTGQBKDCJAIRGQ-WOJBJXKFSA-N 1 0 463.623 2.896 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713616 1062287782 /nfs/dbraw/zinc/28/77/82/1062287782.db2.gz ZTGQBKDCJAIRGQ-VQTJNVASSA-N 1 0 463.623 2.896 20 0 JFADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001287092821 1062290078 /nfs/dbraw/zinc/29/00/78/1062290078.db2.gz LRBOBDDGWUJKBC-UHFFFAOYSA-N 1 0 499.660 2.868 20 0 JFADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001294718566 1062290181 /nfs/dbraw/zinc/29/01/81/1062290181.db2.gz JMAGBSSYJMZKMQ-LBPRGKRZSA-N 1 0 450.267 2.896 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001294719507 1062293291 /nfs/dbraw/zinc/29/32/91/1062293291.db2.gz GOWYXGYBHYMHFL-HFZDXXHNSA-N 1 0 490.693 2.889 20 0 JFADRO CC(C)(Cn1c([C@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001287094304 1062294309 /nfs/dbraw/zinc/29/43/09/1062294309.db2.gz NXZXXEJTULVSMF-LJQANCHMSA-N 1 0 453.653 2.798 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001294720074 1062294458 /nfs/dbraw/zinc/29/44/58/1062294458.db2.gz GZDQCJUBKADQRJ-OAQYLSRUSA-N 1 0 468.646 2.925 20 0 JFADRO Cc1nccc(N2CCN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001290501785 1062295412 /nfs/dbraw/zinc/29/54/12/1062295412.db2.gz RWJVITACTIMBIH-ICSRJNTNSA-N 1 0 499.664 2.725 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+]2CC=CCC2)CC1=O ZINC001294722001 1062299144 /nfs/dbraw/zinc/29/91/44/1062299144.db2.gz QHQDHWWNGKTXIG-UHFFFAOYSA-N 1 0 490.450 2.757 20 0 JFADRO CC(C)(O)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287097526 1062303328 /nfs/dbraw/zinc/30/33/28/1062303328.db2.gz YAZRRKBSCMTOHD-UHFFFAOYSA-N 1 0 477.679 2.710 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC[NH+](CC)CC)CC1=O ZINC001294725545 1062308264 /nfs/dbraw/zinc/30/82/64/1062308264.db2.gz XTNQCUROQARTAQ-UHFFFAOYSA-N 1 0 456.591 2.854 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC001294728835 1062309619 /nfs/dbraw/zinc/30/96/19/1062309619.db2.gz BIJRNDBSCVOUEP-IRLDBZIGSA-N 1 0 481.645 2.589 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CC1=O ZINC001294728868 1062309726 /nfs/dbraw/zinc/30/97/26/1062309726.db2.gz CBLSMBHDPJRCHG-HSZRJFAPSA-N 1 0 478.645 2.993 20 0 JFADRO CC(C)(O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001287102333 1062312904 /nfs/dbraw/zinc/31/29/04/1062312904.db2.gz KJGQXMJMPJDSMW-UXHICEINSA-N 1 0 492.665 2.670 20 0 JFADRO CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001287102475 1062313940 /nfs/dbraw/zinc/31/39/40/1062313940.db2.gz KJGQXMJMPJDSMW-WOJBJXKFSA-N 1 0 492.665 2.670 20 0 JFADRO CC(C)=CCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001287104486 1062316122 /nfs/dbraw/zinc/31/61/22/1062316122.db2.gz KZDLTHWQLCJBCC-JOCHJYFZSA-N 1 0 453.635 2.928 20 0 JFADRO CC(C)=CCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001287104488 1062316644 /nfs/dbraw/zinc/31/66/44/1062316644.db2.gz KZDLTHWQLCJBCC-QFIPXVFZSA-N 1 0 453.635 2.928 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001294734311 1062317181 /nfs/dbraw/zinc/31/71/81/1062317181.db2.gz SQQFCBYTIXPHJT-QHCPKHFHSA-N 1 0 486.636 2.814 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001294734262 1062317292 /nfs/dbraw/zinc/31/72/92/1062317292.db2.gz RDSFVUNWPXBJBW-JOCHJYFZSA-N 1 0 486.636 2.814 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001287109376 1062322626 /nfs/dbraw/zinc/32/26/26/1062322626.db2.gz KMVMWPBCHOCDBG-JOCHJYFZSA-N 1 0 470.666 2.884 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001287109504 1062322831 /nfs/dbraw/zinc/32/28/31/1062322831.db2.gz JQMQFRKGSGIFAV-QHCPKHFHSA-N 1 0 468.646 2.977 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001287111973 1062327347 /nfs/dbraw/zinc/32/73/47/1062327347.db2.gz DXSHKCTUAYPEQS-NHCUHLMSSA-N 1 0 492.734 2.940 20 0 JFADRO Cc1nccn1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(F)(F)F ZINC001290528402 1062328767 /nfs/dbraw/zinc/32/87/67/1062328767.db2.gz GACMVTZHUDUWQQ-UHFFFAOYSA-N 1 0 476.551 2.846 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001294743550 1062332261 /nfs/dbraw/zinc/33/22/61/1062332261.db2.gz CCQZFUPXLDTGBP-FPOVZHCZSA-N 1 0 476.666 2.845 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001287113269 1062332339 /nfs/dbraw/zinc/33/23/39/1062332339.db2.gz DSYUVGKZAJOULF-UHFFFAOYSA-N 1 0 493.656 2.967 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCC[NH+](C)C)CC1 ZINC001287113584 1062333315 /nfs/dbraw/zinc/33/33/15/1062333315.db2.gz MVDAWFZMDICFOV-UHFFFAOYSA-N 1 0 454.575 2.574 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001294744218 1062335028 /nfs/dbraw/zinc/33/50/28/1062335028.db2.gz OUFLGGPMRNMUHM-RXVVDRJESA-N 1 0 488.658 2.762 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294744757 1062336408 /nfs/dbraw/zinc/33/64/08/1062336408.db2.gz CITYHHSYUNTTNN-SFHVURJKSA-N 1 0 482.448 2.817 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294744718 1062336631 /nfs/dbraw/zinc/33/66/31/1062336631.db2.gz AZZUJZAMBHPUNK-ZBFHGGJFSA-N 1 0 464.412 2.577 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001294744858 1062337050 /nfs/dbraw/zinc/33/70/50/1062337050.db2.gz GJCQHBVZSFSZBV-HKUYNNGSSA-N 1 0 450.591 2.910 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287114607 1062337720 /nfs/dbraw/zinc/33/77/20/1062337720.db2.gz MEPWCCLJSNDLFS-JOCHJYFZSA-N 1 0 495.672 2.616 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294745686 1062338228 /nfs/dbraw/zinc/33/82/28/1062338228.db2.gz UJMGXAGJMCIUGP-YZGWKJHDSA-N 1 0 461.994 2.833 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294749449 1062339986 /nfs/dbraw/zinc/33/99/86/1062339986.db2.gz KKINUKUVGSIQSE-MOPGFXCFSA-N 1 0 456.591 2.538 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001287115110 1062340273 /nfs/dbraw/zinc/34/02/73/1062340273.db2.gz AXODFMFTSQNHIN-QFIPXVFZSA-N 1 0 499.635 2.526 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001290541371 1062341387 /nfs/dbraw/zinc/34/13/87/1062341387.db2.gz FIQBVFRDHSXRAL-QGZVFWFLSA-N 1 0 465.606 2.644 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294752987 1062341855 /nfs/dbraw/zinc/34/18/55/1062341855.db2.gz FGPYKXMRVXVPJM-HBFSDRIKSA-N 1 0 470.622 2.959 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294753556 1062341952 /nfs/dbraw/zinc/34/19/52/1062341952.db2.gz NXUCUAREGLNOLC-MOPGFXCFSA-N 1 0 458.611 2.656 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCC[NH+](C)C ZINC001290541797 1062342399 /nfs/dbraw/zinc/34/23/99/1062342399.db2.gz LGXMIMSPOYXJQO-UHFFFAOYSA-N 1 0 493.454 2.611 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001294753615 1062342627 /nfs/dbraw/zinc/34/26/27/1062342627.db2.gz OYNLZOODQZITQR-QUCCMNQESA-N 1 0 452.669 2.528 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CC2)nnc1N1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C1 ZINC001294753889 1062342872 /nfs/dbraw/zinc/34/28/72/1062342872.db2.gz RVNMJRMFDQWHJL-HSALFYBXSA-N 1 0 490.649 2.780 20 0 JFADRO Cc1cc(=O)c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)nn1-c1cccc(C(F)(F)F)c1 ZINC001294754804 1062344758 /nfs/dbraw/zinc/34/47/58/1062344758.db2.gz TYWXUGGOBFYHDJ-SFHVURJKSA-N 1 0 452.477 2.526 20 0 JFADRO Cc1cc(=O)c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)nn1-c1cccc(C(F)(F)F)c1 ZINC001294754803 1062344907 /nfs/dbraw/zinc/34/49/07/1062344907.db2.gz TYWXUGGOBFYHDJ-GOSISDBHSA-N 1 0 452.477 2.526 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001294755789 1062345959 /nfs/dbraw/zinc/34/59/59/1062345959.db2.gz SMIGOYBLUKWWMD-RLLQIKCJSA-N 1 0 461.632 2.958 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294758146 1062348466 /nfs/dbraw/zinc/34/84/66/1062348466.db2.gz ULJJZTQBRFRKQT-ROUUACIJSA-N 1 0 474.631 2.533 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290548247 1062349795 /nfs/dbraw/zinc/34/97/95/1062349795.db2.gz PYGYXDIIKURCFX-SFTDATJTSA-N 1 0 468.581 2.658 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294760309 1062350593 /nfs/dbraw/zinc/35/05/93/1062350593.db2.gz NMMZDYIIGBNTCF-HAGHYFMRSA-N 1 0 489.665 2.625 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294760379 1062350677 /nfs/dbraw/zinc/35/06/77/1062350677.db2.gz OZCYNFKVOAQBCB-CYFREDJKSA-N 1 0 458.582 2.833 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287117332 1062351269 /nfs/dbraw/zinc/35/12/69/1062351269.db2.gz UKFZNCYPKQNOMZ-JOCHJYFZSA-N 1 0 489.064 2.674 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001287117949 1062353865 /nfs/dbraw/zinc/35/38/65/1062353865.db2.gz DCESKWMIFPGAIE-NRFANRHFSA-N 1 0 454.619 2.797 20 0 JFADRO Cc1nn(C)c(C)c1Cn1c(CC(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001290555261 1062358697 /nfs/dbraw/zinc/35/86/97/1062358697.db2.gz BLYQQTKDTNDZKH-BGYRXZFFSA-N 1 0 456.683 2.870 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287119683 1062360601 /nfs/dbraw/zinc/36/06/01/1062360601.db2.gz CKJLGHVEZINUOO-JOCHJYFZSA-N 1 0 454.619 2.533 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001290562173 1062362968 /nfs/dbraw/zinc/36/29/68/1062362968.db2.gz CTFMVNWMLNYJFR-HSZRJFAPSA-N 1 0 472.682 2.923 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001287120419 1062363194 /nfs/dbraw/zinc/36/31/94/1062363194.db2.gz LEIGBCHTQSKHMU-UHFFFAOYSA-N 1 0 464.618 2.552 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001290562254 1062363429 /nfs/dbraw/zinc/36/34/29/1062363429.db2.gz CYTUBKACHAILCH-FQEVSTJZSA-N 1 0 480.661 2.522 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287121130 1062366655 /nfs/dbraw/zinc/36/66/55/1062366655.db2.gz WKOYCJVKXJNOOG-UHFFFAOYSA-N 1 0 490.052 2.847 20 0 JFADRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)n(C)n1 ZINC001290565913 1062368328 /nfs/dbraw/zinc/36/83/28/1062368328.db2.gz WVESDXFBUADNAS-UHFFFAOYSA-N 1 0 456.639 2.599 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001287121888 1062369435 /nfs/dbraw/zinc/36/94/35/1062369435.db2.gz JLMFTQYEEBTCKA-LEWJYISDSA-N 1 0 489.709 2.507 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001294771175 1062370162 /nfs/dbraw/zinc/37/01/62/1062370162.db2.gz NRWVMKIRYYFLQX-WOJBJXKFSA-N 1 0 481.645 2.621 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001287122450 1062372801 /nfs/dbraw/zinc/37/28/01/1062372801.db2.gz RBZMJOMSHPQWPE-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287122623 1062373824 /nfs/dbraw/zinc/37/38/24/1062373824.db2.gz APIZPOGUYVRFEB-TZIWHRDSSA-N 1 0 473.666 2.625 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001287122802 1062374312 /nfs/dbraw/zinc/37/43/12/1062374312.db2.gz WZHNWYFXERBSIF-LJQANCHMSA-N 1 0 487.674 2.506 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001287123007 1062375797 /nfs/dbraw/zinc/37/57/97/1062375797.db2.gz CPPLAQOBWCXRCU-OAQYLSRUSA-N 1 0 484.645 2.512 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCC[C@@H](C)C3)C2)n1 ZINC001290578647 1062384933 /nfs/dbraw/zinc/38/49/33/1062384933.db2.gz QVUUALWPXJSNCB-IOZGHAEBSA-N 1 0 485.681 2.977 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@]3([NH+](C)C)CCC[C@H](C)C3)C2)n1 ZINC001290578644 1062384957 /nfs/dbraw/zinc/38/49/57/1062384957.db2.gz QVUUALWPXJSNCB-HCYUJWNOSA-N 1 0 485.681 2.977 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001294780918 1062384952 /nfs/dbraw/zinc/38/49/52/1062384952.db2.gz OSSUQGSZKDMSNK-REWPJTCUSA-N 1 0 495.672 2.606 20 0 JFADRO Cc1cc(C)n([C@@H]2CCCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001290581594 1062388289 /nfs/dbraw/zinc/38/82/89/1062388289.db2.gz NRKJVFPIZOGMMR-YADHBBJMSA-N 1 0 470.666 2.999 20 0 JFADRO C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H](O)COc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC001294786877 1062391943 /nfs/dbraw/zinc/39/19/43/1062391943.db2.gz DMPKUCVKYJMIDH-FQEVSTJZSA-N 1 0 451.489 2.623 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001294788223 1062393637 /nfs/dbraw/zinc/39/36/37/1062393637.db2.gz DIGVCCTUOOAMNV-PZJWPPBQSA-N 1 0 471.650 2.615 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001294789057 1062395792 /nfs/dbraw/zinc/39/57/92/1062395792.db2.gz ABGLJOAUMPSGSN-DHIUTWEWSA-N 1 0 495.672 2.630 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001294789059 1062395927 /nfs/dbraw/zinc/39/59/27/1062395927.db2.gz ABGLJOAUMPSGSN-PKTZIBPZSA-N 1 0 495.672 2.630 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294791057 1062406091 /nfs/dbraw/zinc/40/60/91/1062406091.db2.gz SRDICHREDVRZIG-MSOLQXFVSA-N 1 0 458.607 2.655 20 0 JFADRO CC(C)C(=O)NCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001287129360 1062407992 /nfs/dbraw/zinc/40/79/92/1062407992.db2.gz OKFMQRAENGBMAQ-OAQYLSRUSA-N 1 0 454.619 2.656 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)C3CCN(C(=O)c4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290591203 1062408170 /nfs/dbraw/zinc/40/81/70/1062408170.db2.gz RUFBGTGEDFKIEA-NRFANRHFSA-N 1 0 478.645 2.831 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001294792334 1062414085 /nfs/dbraw/zinc/41/40/85/1062414085.db2.gz SXIKHAWCKWPHNU-VQTJNVASSA-N 1 0 451.575 2.979 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001290597295 1062417975 /nfs/dbraw/zinc/41/79/75/1062417975.db2.gz CTBLWIZVDMUVRQ-IBGZPJMESA-N 1 0 485.658 2.662 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCCCC1 ZINC001287131123 1062422000 /nfs/dbraw/zinc/42/20/00/1062422000.db2.gz KMSTVWAZHOXBLU-UHFFFAOYSA-N 1 0 480.455 2.740 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001290599374 1062426666 /nfs/dbraw/zinc/42/66/66/1062426666.db2.gz FIRAGGAXPHFVPR-KDURUIRLSA-N 1 0 451.623 2.934 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnn(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001290599378 1062428174 /nfs/dbraw/zinc/42/81/74/1062428174.db2.gz FIRIPDJVJQSVMA-KDURUIRLSA-N 1 0 453.639 2.878 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287132681 1062434540 /nfs/dbraw/zinc/43/45/40/1062434540.db2.gz MZMPQGYDNFEILS-RUZDIDTESA-N 1 0 496.685 2.777 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2cccnc2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001287132910 1062436852 /nfs/dbraw/zinc/43/68/52/1062436852.db2.gz NDQNRRVHZJCLAP-UHFFFAOYSA-N 1 0 475.641 2.572 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCc3cccs3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001290605106 1062437961 /nfs/dbraw/zinc/43/79/61/1062437961.db2.gz CBAJSQASPCRVSY-UHFFFAOYSA-N 1 0 457.648 2.991 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605771 1062442887 /nfs/dbraw/zinc/44/28/87/1062442887.db2.gz XGOBOZJSCRDVED-LJQANCHMSA-N 1 0 490.607 2.753 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCSCC1 ZINC001287133921 1062446589 /nfs/dbraw/zinc/44/65/89/1062446589.db2.gz WTWMJXYJPKFTJA-UHFFFAOYSA-N 1 0 469.659 2.694 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001294802807 1062448345 /nfs/dbraw/zinc/44/83/45/1062448345.db2.gz IGBDQNYRUAGONS-SFHVURJKSA-N 1 0 461.680 2.964 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001287135279 1062457545 /nfs/dbraw/zinc/45/75/45/1062457545.db2.gz JYKAKDBVKZGFKQ-QGZVFWFLSA-N 1 0 478.439 2.873 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C(F)(F)F)O[C@@H](C)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290615887 1062464086 /nfs/dbraw/zinc/46/40/86/1062464086.db2.gz JEJWYWYZHJUSEV-DLBZAZTESA-N 1 0 455.529 2.780 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294810068 1062466058 /nfs/dbraw/zinc/46/60/58/1062466058.db2.gz BKFNKMBANYPNFJ-BGYRXZFFSA-N 1 0 489.709 2.915 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001294810084 1062467267 /nfs/dbraw/zinc/46/72/67/1062467267.db2.gz BTEFPZDJLVLLQG-GOSISDBHSA-N 1 0 475.663 2.523 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@]4(CCOC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290617367 1062470288 /nfs/dbraw/zinc/47/02/88/1062470288.db2.gz IPZXOTAVXRDGCF-QPPBQGQZSA-N 1 0 459.639 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@]4(CCOC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290617372 1062470304 /nfs/dbraw/zinc/47/03/04/1062470304.db2.gz IPZXOTAVXRDGCF-XUZZJYLKSA-N 1 0 459.639 2.643 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(COCC)n2CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC001294810718 1062470440 /nfs/dbraw/zinc/47/04/40/1062470440.db2.gz IWDCHDCWMRHUIN-NRFANRHFSA-N 1 0 476.666 2.592 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)n1 ZINC001290618992 1062476733 /nfs/dbraw/zinc/47/67/33/1062476733.db2.gz YIDQVIZTFJKENK-CUWPLCDZSA-N 1 0 486.665 2.973 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)NC4CCCCC4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290620740 1062483203 /nfs/dbraw/zinc/48/32/03/1062483203.db2.gz PUEGDMCKQGNLPW-FQEVSTJZSA-N 1 0 470.666 2.755 20 0 JFADRO CC(C)C(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@H]1C ZINC001287139485 1062488935 /nfs/dbraw/zinc/48/89/35/1062488935.db2.gz NYZGZXVJSFVVIL-FCHUYYIVSA-N 1 0 467.662 2.650 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CNC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)n1 ZINC001290624618 1062490314 /nfs/dbraw/zinc/49/03/14/1062490314.db2.gz CZFNBKVJRVRNMI-NRFANRHFSA-N 1 0 486.665 2.977 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H]([N@H+](C)Cc4ccccc4)C3)n2CCNC(=O)C(C)C)n1 ZINC001290629641 1062502795 /nfs/dbraw/zinc/50/27/95/1062502795.db2.gz ULTOWCMKQDWMIM-HSZRJFAPSA-N 1 0 478.645 2.623 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(Cc4ccc(F)cc4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290631321 1062505527 /nfs/dbraw/zinc/50/55/27/1062505527.db2.gz GHHVJTPOGSDCPY-HXUWFJFHSA-N 1 0 469.609 2.803 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001287143310 1062505613 /nfs/dbraw/zinc/50/56/13/1062505613.db2.gz WGABVGZYYJIBLG-OAQYLSRUSA-N 1 0 496.722 2.748 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001290632126 1062508996 /nfs/dbraw/zinc/50/89/96/1062508996.db2.gz VZJUDSZAKHESCS-NFBKMPQASA-N 1 0 461.680 2.828 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001294822900 1062509357 /nfs/dbraw/zinc/50/93/57/1062509357.db2.gz SNYZGDBKRHXXML-IBGZPJMESA-N 1 0 468.650 2.988 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001294827765 1062513998 /nfs/dbraw/zinc/51/39/98/1062513998.db2.gz GSBMRRRDOZYXJS-SJBKTWHCSA-N 1 0 487.693 2.730 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](n4cncn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290635213 1062514603 /nfs/dbraw/zinc/51/46/03/1062514603.db2.gz LDNDBWQLDPDNBZ-RTWAWAEBSA-N 1 0 454.627 2.549 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](n4cncn4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001290635208 1062514636 /nfs/dbraw/zinc/51/46/36/1062514636.db2.gz LDNDBWQLDPDNBZ-LEWJYISDSA-N 1 0 454.627 2.549 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001290635440 1062515243 /nfs/dbraw/zinc/51/52/43/1062515243.db2.gz LTSCURNTPNGHTK-HSZRJFAPSA-N 1 0 484.693 2.860 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001294830361 1062518243 /nfs/dbraw/zinc/51/82/43/1062518243.db2.gz VWMPHGTWVSBSBZ-NRFANRHFSA-N 1 0 473.666 2.626 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001294832231 1062519698 /nfs/dbraw/zinc/51/96/98/1062519698.db2.gz DWDPSYIQVOEELX-UHFFFAOYSA-N 1 0 453.635 2.883 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001294833072 1062521792 /nfs/dbraw/zinc/52/17/92/1062521792.db2.gz WAXIFUVWJXKKGM-UHFFFAOYSA-N 1 0 485.702 2.834 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001287152276 1062525296 /nfs/dbraw/zinc/52/52/96/1062525296.db2.gz YHHPPETYVGQAIW-HHHXNRCGSA-N 1 0 482.673 2.605 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001290640305 1062525592 /nfs/dbraw/zinc/52/55/92/1062525592.db2.gz IRHBLWQFPAPCEN-LJQANCHMSA-N 1 0 470.588 2.943 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001287153063 1062528513 /nfs/dbraw/zinc/52/85/13/1062528513.db2.gz LMUUEDAALAOWHL-QZTJIDSGSA-N 1 0 494.644 2.921 20 0 JFADRO CCCNC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294838464 1062529388 /nfs/dbraw/zinc/52/93/88/1062529388.db2.gz NKRVJAAKFRETJK-IBGZPJMESA-N 1 0 455.607 2.594 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001287153146 1062530061 /nfs/dbraw/zinc/53/00/61/1062530061.db2.gz MYDKJZNTORFCRY-AJSBUHFISA-N 1 0 495.672 2.909 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290641882 1062531631 /nfs/dbraw/zinc/53/16/31/1062531631.db2.gz SIAORPSZFRRVLU-UHFFFAOYSA-N 1 0 472.638 2.681 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCC(C)(F)F)n1 ZINC001290645513 1062534959 /nfs/dbraw/zinc/53/49/59/1062534959.db2.gz AZPCPZCRRADZEB-UHFFFAOYSA-N 1 0 451.566 2.734 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCc2cccc(C(=O)N(C)C)c2)n1 ZINC001290646592 1062537452 /nfs/dbraw/zinc/53/74/52/1062537452.db2.gz RBRDCUJGXUAOAC-UHFFFAOYSA-N 1 0 492.672 2.862 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287155265 1062537991 /nfs/dbraw/zinc/53/79/91/1062537991.db2.gz GMKILFVQXHUUCD-QFIPXVFZSA-N 1 0 468.646 2.997 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001287155305 1062538620 /nfs/dbraw/zinc/53/86/20/1062538620.db2.gz CFYMVEMNLMTXSL-AUSIDOKSSA-N 1 0 461.010 2.657 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294844751 1062539747 /nfs/dbraw/zinc/53/97/47/1062539747.db2.gz CXFRHNLPILYFGI-UHFFFAOYSA-N 1 0 458.607 2.799 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001287155590 1062539740 /nfs/dbraw/zinc/53/97/40/1062539740.db2.gz CUGBSUQQRIRTHZ-IBGZPJMESA-N 1 0 469.055 2.704 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287156455 1062543463 /nfs/dbraw/zinc/54/34/63/1062543463.db2.gz OEDONVLPOKQPCV-AZUAARDMSA-N 1 0 481.567 2.770 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001290648864 1062546216 /nfs/dbraw/zinc/54/62/16/1062546216.db2.gz MLIOLWHSCOJLBK-MSOLQXFVSA-N 1 0 457.545 2.884 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001294848033 1062547358 /nfs/dbraw/zinc/54/73/58/1062547358.db2.gz ZWNMQJPNUGAQHG-UHFFFAOYSA-N 1 0 456.591 2.553 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001290649824 1062548426 /nfs/dbraw/zinc/54/84/26/1062548426.db2.gz UMEZDWRNRMZZSM-FQEVSTJZSA-N 1 0 459.639 2.502 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001290654681 1062554741 /nfs/dbraw/zinc/55/47/41/1062554741.db2.gz RUIUDDSCTGRVSO-NJDAHSKKSA-N 1 0 461.680 2.707 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1)[NH+]1CCCC1 ZINC001287159326 1062555569 /nfs/dbraw/zinc/55/55/69/1062555569.db2.gz YSNZMHRNFRKRON-JOCHJYFZSA-N 1 0 483.642 2.895 20 0 JFADRO CCCNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001294855693 1062555869 /nfs/dbraw/zinc/55/58/69/1062555869.db2.gz BYCSAPAMMIXVEV-UHFFFAOYSA-N 1 0 490.599 2.612 20 0 JFADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[NH+]3CCCCC3)C2)n1 ZINC001290655882 1062556117 /nfs/dbraw/zinc/55/61/17/1062556117.db2.gz CVUCNEDHXCVJCA-OAQYLSRUSA-N 1 0 485.681 2.806 20 0 JFADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cnccn4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001290656893 1062558902 /nfs/dbraw/zinc/55/89/02/1062558902.db2.gz PEZQEBJHFRRYMI-NHCUHLMSSA-N 1 0 466.638 2.836 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001287160295 1062558968 /nfs/dbraw/zinc/55/89/68/1062558968.db2.gz HZTLMOORTTUKMP-UXHICEINSA-N 1 0 493.578 2.889 20 0 JFADRO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287161515 1062562683 /nfs/dbraw/zinc/56/26/83/1062562683.db2.gz AXPJOVAAQUDHSC-AABGKKOBSA-N 1 0 489.665 2.623 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001287162768 1062565949 /nfs/dbraw/zinc/56/59/49/1062565949.db2.gz PCBDHWROUBHLID-CTNGQTDRSA-N 1 0 468.650 2.987 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[NH+]1CCCC1 ZINC001287162769 1062566507 /nfs/dbraw/zinc/56/65/07/1062566507.db2.gz PCBDHWROUBHLID-FPOVZHCZSA-N 1 0 468.650 2.987 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CCO2)n1 ZINC001290660733 1062567373 /nfs/dbraw/zinc/56/73/73/1062567373.db2.gz OCMHRCDWTYHGIY-FCHUYYIVSA-N 1 0 473.666 2.531 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CCO2)n1 ZINC001290660965 1062568453 /nfs/dbraw/zinc/56/84/53/1062568453.db2.gz RKVZAYNGIUWTHT-JOCHJYFZSA-N 1 0 488.036 2.895 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287163277 1062568952 /nfs/dbraw/zinc/56/89/52/1062568952.db2.gz WAVYVSZMUSTPDF-NHCUHLMSSA-N 1 0 463.623 2.752 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccnc4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001290661284 1062569966 /nfs/dbraw/zinc/56/99/66/1062569966.db2.gz VJHAWLQIRCTDRH-QFIPXVFZSA-N 1 0 452.607 2.789 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001287164845 1062574918 /nfs/dbraw/zinc/57/49/18/1062574918.db2.gz YNNUAZGQEKAWDN-VQTJNVASSA-N 1 0 472.638 2.902 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001287164826 1062574981 /nfs/dbraw/zinc/57/49/81/1062574981.db2.gz YLGROJNGZRDELA-IEBWSBKVSA-N 1 0 469.556 2.703 20 0 JFADRO CCCNC(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294871319 1062577787 /nfs/dbraw/zinc/57/77/87/1062577787.db2.gz UUMINLFJLCQEQT-UHFFFAOYSA-N 1 0 484.645 2.691 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001287166486 1062578010 /nfs/dbraw/zinc/57/80/10/1062578010.db2.gz IVGWLGRFKWNLPV-VQTJNVASSA-N 1 0 490.674 2.765 20 0 JFADRO Cc1nc2n(n1)CCN(c1nnc(-c3cccc(Br)c3)n1CC[N@@H+](C)C(C)C)C2 ZINC001290672269 1062581613 /nfs/dbraw/zinc/58/16/13/1062581613.db2.gz QNYVNGCYVTUFFY-UHFFFAOYSA-N 1 0 459.396 2.968 20 0 JFADRO Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C(C)(C)C)cc3)n1CCOCC[NH+](C)C)C2 ZINC001290673815 1062583751 /nfs/dbraw/zinc/58/37/51/1062583751.db2.gz JKSLRKYMWZTLSO-UHFFFAOYSA-N 1 0 452.607 2.741 20 0 JFADRO CC(C)c1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001287170645 1062586644 /nfs/dbraw/zinc/58/66/44/1062586644.db2.gz SEIIXPYCYQVNBO-MRXNPFEDSA-N 1 0 483.708 2.631 20 0 JFADRO Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)s1 ZINC001290678469 1062587344 /nfs/dbraw/zinc/58/73/44/1062587344.db2.gz FHLUQOZBFDORIA-UHFFFAOYSA-N 1 0 460.652 2.664 20 0 JFADRO CCCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001294876551 1062587951 /nfs/dbraw/zinc/58/79/51/1062587951.db2.gz PWGNJLDXEOKIEF-QHCPKHFHSA-N 1 0 478.645 2.792 20 0 JFADRO CCCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001294883640 1062597178 /nfs/dbraw/zinc/59/71/78/1062597178.db2.gz LFMRIMKMJUZNQW-IBGZPJMESA-N 1 0 486.617 2.562 20 0 JFADRO CCCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001294884878 1062599174 /nfs/dbraw/zinc/59/91/74/1062599174.db2.gz XGVJHMKJZQOJHV-UHFFFAOYSA-N 1 0 470.618 2.943 20 0 JFADRO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001294885033 1062599859 /nfs/dbraw/zinc/59/98/59/1062599859.db2.gz YWPHIMUNLZLXEU-SFHVURJKSA-N 1 0 461.408 2.908 20 0 JFADRO CC(C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287181536 1062606730 /nfs/dbraw/zinc/60/67/30/1062606730.db2.gz MULMGKFEFMAOCS-UHFFFAOYSA-N 1 0 456.635 2.985 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001294888078 1062608805 /nfs/dbraw/zinc/60/88/05/1062608805.db2.gz LBYDKYASUYEUNU-GOSISDBHSA-N 1 0 456.591 2.553 20 0 JFADRO CC(C)c1nnc(N(C)CCCS(C)(=O)=O)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287184125 1062610047 /nfs/dbraw/zinc/61/00/47/1062610047.db2.gz OAXXDXKNLLIVHG-NRFANRHFSA-N 1 0 463.648 2.564 20 0 JFADRO Cc1nnc(CCn2c(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001290691543 1062611194 /nfs/dbraw/zinc/61/11/94/1062611194.db2.gz HGYMNBGMBZLNEM-IBGZPJMESA-N 1 0 455.632 2.834 20 0 JFADRO CC(C)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187534 1062613503 /nfs/dbraw/zinc/61/35/03/1062613503.db2.gz XOMLQZYMPQTIRB-PMACEKPBSA-N 1 0 491.681 2.886 20 0 JFADRO CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001287191199 1062616845 /nfs/dbraw/zinc/61/68/45/1062616845.db2.gz AERDDNBXPOBUIG-KSFYIVLOSA-N 1 0 459.620 2.580 20 0 JFADRO CC(C)c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287194600 1062624409 /nfs/dbraw/zinc/62/44/09/1062624409.db2.gz OUDWAXGJQHYSKG-UHFFFAOYSA-N 1 0 474.572 2.532 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001290700212 1062634780 /nfs/dbraw/zinc/63/47/80/1062634780.db2.gz IFZYIGBMVCGSRW-FQEVSTJZSA-N 1 0 456.543 2.515 20 0 JFADRO Cc1nnc(Cn2c(N3CCC[N@@H+](C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001290701840 1062637391 /nfs/dbraw/zinc/63/73/91/1062637391.db2.gz LQOHZPXIIIQMNC-JOCHJYFZSA-N 1 0 463.652 2.838 20 0 JFADRO CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001294903515 1062641497 /nfs/dbraw/zinc/64/14/97/1062641497.db2.gz NYVCSFHKYHNVNQ-UHFFFAOYSA-N 1 0 497.692 2.535 20 0 JFADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001287203163 1062647157 /nfs/dbraw/zinc/64/71/57/1062647157.db2.gz VWPKJPQBXYCZIW-UHFFFAOYSA-N 1 0 454.619 2.824 20 0 JFADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001294910213 1062656178 /nfs/dbraw/zinc/65/61/78/1062656178.db2.gz JSBGOOFCZISAOG-NRFANRHFSA-N 1 0 467.643 2.871 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001287209519 1062658189 /nfs/dbraw/zinc/65/81/89/1062658189.db2.gz WCFOITINODCNKI-LJQANCHMSA-N 1 0 454.685 2.774 20 0 JFADRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001290737590 1062659305 /nfs/dbraw/zinc/65/93/05/1062659305.db2.gz RJTSWCPHQBAOAF-UHFFFAOYSA-N 1 0 469.634 2.712 20 0 JFADRO Cc1nnc(N(CCO)Cc2ccc(F)c(Br)c2)n1CCCC[NH+]1CCOCC1 ZINC001290745601 1062663915 /nfs/dbraw/zinc/66/39/15/1062663915.db2.gz CNKKMCGEHIXSBK-UHFFFAOYSA-N 1 0 470.387 2.599 20 0 JFADRO Cc1nnc(N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290749676 1062667120 /nfs/dbraw/zinc/66/71/20/1062667120.db2.gz FOZKNBZIKCDVED-YLJYHZDGSA-N 1 0 458.607 2.925 20 0 JFADRO Cc1nnc(N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290749675 1062667139 /nfs/dbraw/zinc/66/71/39/1062667139.db2.gz FOZKNBZIKCDVED-XLIONFOSSA-N 1 0 458.607 2.925 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001287212776 1062668066 /nfs/dbraw/zinc/66/80/66/1062668066.db2.gz SQGSLIMJYZOIBT-HXOBKFHXSA-N 1 0 486.608 2.939 20 0 JFADRO CC(C)c1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287212878 1062669367 /nfs/dbraw/zinc/66/93/67/1062669367.db2.gz XRTXELXKFRHENF-OAQYLSRUSA-N 1 0 463.648 2.794 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287213057 1062669397 /nfs/dbraw/zinc/66/93/97/1062669397.db2.gz WMPZAGVWEIWXCV-MOPGFXCFSA-N 1 0 466.677 2.770 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCN(C)c1ccccc1 ZINC001287213545 1062671697 /nfs/dbraw/zinc/67/16/97/1062671697.db2.gz ASSJEDAFSGQCRE-QFIPXVFZSA-N 1 0 453.635 2.671 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290759623 1062672917 /nfs/dbraw/zinc/67/29/17/1062672917.db2.gz JMHQJKICDFVOEJ-WOJBJXKFSA-N 1 0 460.667 2.949 20 0 JFADRO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001294914869 1062673944 /nfs/dbraw/zinc/67/39/44/1062673944.db2.gz XPVXFAUSFAMZGN-WMZOPIPTSA-N 1 0 491.434 2.819 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)N(C)c1ccccc1 ZINC001287214669 1062680788 /nfs/dbraw/zinc/68/07/88/1062680788.db2.gz PBHFMDTVWFQFDP-RBBKRZOGSA-N 1 0 453.635 2.669 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCn2cncn2)cc1OC ZINC001294922613 1062689794 /nfs/dbraw/zinc/68/97/94/1062689794.db2.gz CVFASOBUKZZCTO-RBUKOAKNSA-N 1 0 468.606 2.953 20 0 JFADRO CCCOc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCC2)cc1OC ZINC001294925528 1062695577 /nfs/dbraw/zinc/69/55/77/1062695577.db2.gz PWXYBVHJRWGICW-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2CC[NH+]2CCCC2)cc1OC ZINC001294928233 1062702315 /nfs/dbraw/zinc/70/23/15/1062702315.db2.gz GZPZTVXYBUPYNY-VWLOTQADSA-N 1 0 470.618 2.801 20 0 JFADRO Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290800003 1062704878 /nfs/dbraw/zinc/70/48/78/1062704878.db2.gz IGHZAMCEEFCPFG-IBGZPJMESA-N 1 0 453.509 2.771 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001287220649 1062705225 /nfs/dbraw/zinc/70/52/25/1062705225.db2.gz YMMBOWQDWINNSE-AZUAARDMSA-N 1 0 472.609 2.574 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[NH+]2CCCC2)cc1OC ZINC001294929402 1062705533 /nfs/dbraw/zinc/70/55/33/1062705533.db2.gz VARJKISJWPRRBG-XMMPIXPASA-N 1 0 456.591 2.540 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001287220686 1062705962 /nfs/dbraw/zinc/70/59/62/1062705962.db2.gz ZQWBZFIHVRRNLZ-QUCCMNQESA-N 1 0 488.599 2.744 20 0 JFADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001290802914 1062706761 /nfs/dbraw/zinc/70/67/61/1062706761.db2.gz CJIOGRPVVQBJHV-KRWDZBQOSA-N 1 0 455.502 2.765 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287222145 1062707330 /nfs/dbraw/zinc/70/73/30/1062707330.db2.gz AVMUELXSYUBMAX-UHFFFAOYSA-N 1 0 450.628 2.817 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294932328 1062707605 /nfs/dbraw/zinc/70/76/05/1062707605.db2.gz GQFDSWSYAVNEDE-SFHVURJKSA-N 1 0 470.618 2.799 20 0 JFADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001290808075 1062709882 /nfs/dbraw/zinc/70/98/82/1062709882.db2.gz BLYAJUABSJPAKM-UHFFFAOYSA-N 1 0 455.607 2.783 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](CC)CC4)C3)n2CC(C)(C)O)cc1OC ZINC001294934278 1062711639 /nfs/dbraw/zinc/71/16/39/1062711639.db2.gz STMFGWNKAAOZAN-OAQYLSRUSA-N 1 0 486.661 2.730 20 0 JFADRO Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001290824118 1062718169 /nfs/dbraw/zinc/71/81/69/1062718169.db2.gz MUBZUZQZDVFMEQ-UXHICEINSA-N 1 0 464.636 2.515 20 0 JFADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(-c4cccnc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001287230839 1062719147 /nfs/dbraw/zinc/71/91/47/1062719147.db2.gz MIFMERIINPHCHF-ZWKOTPCHSA-N 1 0 453.595 2.680 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001290824895 1062719231 /nfs/dbraw/zinc/71/92/31/1062719231.db2.gz RYLMBHKHYUPYNR-SFTDATJTSA-N 1 0 464.655 2.907 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287232173 1062722761 /nfs/dbraw/zinc/72/27/61/1062722761.db2.gz NPXQKTKHFCLGGU-UXHICEINSA-N 1 0 474.675 2.989 20 0 JFADRO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287232171 1062722900 /nfs/dbraw/zinc/72/29/00/1062722900.db2.gz NPXQKTKHFCLGGU-PMACEKPBSA-N 1 0 474.675 2.989 20 0 JFADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001290831375 1062723744 /nfs/dbraw/zinc/72/37/44/1062723744.db2.gz XSGHORUNNVGEBY-HXUWFJFHSA-N 1 0 451.976 2.604 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940115 1062724711 /nfs/dbraw/zinc/72/47/11/1062724711.db2.gz MCIGOILMACVCPB-SFHVURJKSA-N 1 0 458.607 2.798 20 0 JFADRO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001290833015 1062725391 /nfs/dbraw/zinc/72/53/91/1062725391.db2.gz IAWHBDRIBOJXIO-PMACEKPBSA-N 1 0 453.509 2.749 20 0 JFADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CCCCC[NH+]1CCCC1 ZINC001290833898 1062725847 /nfs/dbraw/zinc/72/58/47/1062725847.db2.gz SRICLGAJEZDMHY-NRFANRHFSA-N 1 0 452.669 2.683 20 0 JFADRO Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001290847063 1062733684 /nfs/dbraw/zinc/73/36/84/1062733684.db2.gz QIFDTEAACMPBBC-AWEZNQCLSA-N 1 0 461.920 2.589 20 0 JFADRO CCCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001294948643 1062734490 /nfs/dbraw/zinc/73/44/90/1062734490.db2.gz DNKQTKLOENRIEV-GOSISDBHSA-N 1 0 478.663 2.646 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287252978 1062735714 /nfs/dbraw/zinc/73/57/14/1062735714.db2.gz NLVAGOMGGWBQJF-SFTDATJTSA-N 1 0 475.659 2.678 20 0 JFADRO Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001290853182 1062738083 /nfs/dbraw/zinc/73/80/83/1062738083.db2.gz ZHRKWMLXDDKOJN-LJQANCHMSA-N 1 0 458.582 2.718 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287262058 1062738481 /nfs/dbraw/zinc/73/84/81/1062738481.db2.gz LEHZEFBXWKPWQS-UNMCSNQZSA-N 1 0 454.619 2.895 20 0 JFADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001290857413 1062741047 /nfs/dbraw/zinc/74/10/47/1062741047.db2.gz MRTCFHODUUTAGV-DFIYOIEZSA-N 1 0 459.683 2.666 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(CC(=O)OC(C)(C)C)CCOCC2)CC1 ZINC001290860139 1062744571 /nfs/dbraw/zinc/74/45/71/1062744571.db2.gz VJZFDGBPHWFJPL-UHFFFAOYSA-N 1 0 459.631 2.969 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001290860206 1062744855 /nfs/dbraw/zinc/74/48/55/1062744855.db2.gz XZXFSSZBFIZYRE-RUZDIDTESA-N 1 0 454.590 2.653 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001290867653 1062750001 /nfs/dbraw/zinc/75/00/01/1062750001.db2.gz QGRCQTVMIKAUIN-YTFSRNRJSA-N 1 0 473.710 2.725 20 0 JFADRO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1cc(COC(C)(C)C)on1 ZINC001290868403 1062751420 /nfs/dbraw/zinc/75/14/20/1062751420.db2.gz XLFQTEYDFCUWQH-UHFFFAOYSA-N 1 0 459.639 2.933 20 0 JFADRO CCCOc1ccc(Cn2c(N3CC[N@H+](CC)[C@H](C)C3)nnc2[C@]2(OCC)CCOC2)cn1 ZINC001294971977 1062754169 /nfs/dbraw/zinc/75/41/69/1062754169.db2.gz QCQLOHRQJMIOQR-DVECYGJZSA-N 1 0 458.607 2.693 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290869976 1062754591 /nfs/dbraw/zinc/75/45/91/1062754591.db2.gz NVMPMQOYNIDXIC-CTUHWIOQSA-N 1 0 485.652 2.845 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001290870011 1062755168 /nfs/dbraw/zinc/75/51/68/1062755168.db2.gz OMUMNSCKLJENEH-IBGZPJMESA-N 1 0 457.598 2.608 20 0 JFADRO CCCOc1cccc(CCn2c(C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972883 1062755971 /nfs/dbraw/zinc/75/59/71/1062755971.db2.gz OJQBKKXTEZZHKX-NLFFAJNJSA-N 1 0 468.646 2.997 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290870824 1062757097 /nfs/dbraw/zinc/75/70/97/1062757097.db2.gz YDBFUKWURKBGIH-XUZZJYLKSA-N 1 0 467.662 2.535 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCOc1cccc(Cl)c1 ZINC001290876292 1062760779 /nfs/dbraw/zinc/76/07/79/1062760779.db2.gz LVLVJCWUGYDSTM-QFIPXVFZSA-N 1 0 463.026 2.550 20 0 JFADRO CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294976865 1062760975 /nfs/dbraw/zinc/76/09/75/1062760975.db2.gz DMWLWUUTZAYTSZ-FPOVZHCZSA-N 1 0 469.634 2.767 20 0 JFADRO Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1Cc1ccc(N2CCOC2=O)cc1 ZINC001290877176 1062761442 /nfs/dbraw/zinc/76/14/42/1062761442.db2.gz SRSQKKOQMXGNTQ-UHFFFAOYSA-N 1 0 482.507 2.682 20 0 JFADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892077 1062769748 /nfs/dbraw/zinc/76/97/48/1062769748.db2.gz RSDQJQFUCSNLGN-GHTZIAJQSA-N 1 0 458.603 2.612 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001294986234 1062773689 /nfs/dbraw/zinc/77/36/89/1062773689.db2.gz DTFOXXBNJPAKAX-XXBNENTESA-N 1 0 464.680 2.737 20 0 JFADRO Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290902561 1062775736 /nfs/dbraw/zinc/77/57/36/1062775736.db2.gz LXGOTUIXICVRFC-CEXWTWQISA-N 1 0 474.654 2.864 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC001294988710 1062776805 /nfs/dbraw/zinc/77/68/05/1062776805.db2.gz ANZDVBOAJIPRNF-AZUAARDMSA-N 1 0 455.521 2.966 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC001294988711 1062776901 /nfs/dbraw/zinc/77/69/01/1062776901.db2.gz ANZDVBOAJIPRNF-ICSRJNTNSA-N 1 0 455.521 2.966 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001294990460 1062778465 /nfs/dbraw/zinc/77/84/65/1062778465.db2.gz GXKFNICPZYHJTJ-HMMYKYKNSA-N 1 0 452.584 2.751 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001294997381 1062783561 /nfs/dbraw/zinc/78/35/61/1062783561.db2.gz RGKFXXIQBWTBOT-SLFFLAALSA-N 1 0 470.684 2.548 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294997233 1062783707 /nfs/dbraw/zinc/78/37/07/1062783707.db2.gz GIISHKUZNXNKSD-PLACYPQZSA-N 1 0 462.639 2.514 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001295001416 1062787077 /nfs/dbraw/zinc/78/70/77/1062787077.db2.gz ABCZALMTAQVMTP-VQTJNVASSA-N 1 0 455.669 2.696 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295002456 1062789500 /nfs/dbraw/zinc/78/95/00/1062789500.db2.gz OHMYMCKBJUMRAW-RBUKOAKNSA-N 1 0 455.669 2.554 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001287318945 1062790246 /nfs/dbraw/zinc/79/02/46/1062790246.db2.gz GCEBKWYPBTYFOE-ICSRJNTNSA-N 1 0 456.639 2.738 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001287319069 1062790879 /nfs/dbraw/zinc/79/08/79/1062790879.db2.gz HAFSSBZDUXHXHL-ZCNNSNEGSA-N 1 0 455.607 2.907 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001295005818 1062792659 /nfs/dbraw/zinc/79/26/59/1062792659.db2.gz IBGPCXBHKQLNLY-FGZHOGPDSA-N 1 0 476.666 2.543 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001287320944 1062796868 /nfs/dbraw/zinc/79/68/68/1062796868.db2.gz YSJHKLLINUULQZ-ZCNNSNEGSA-N 1 0 491.681 2.840 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(F)(F)F)[NH+](C)C ZINC001287322214 1062800328 /nfs/dbraw/zinc/80/03/28/1062800328.db2.gz NZIIEYZWSUPOLF-QGZVFWFLSA-N 1 0 451.501 2.896 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287322930 1062800886 /nfs/dbraw/zinc/80/08/86/1062800886.db2.gz SVUIDDVIUUCRBC-RXVVDRJESA-N 1 0 492.690 2.954 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001295013191 1062801281 /nfs/dbraw/zinc/80/12/81/1062801281.db2.gz AHBPPSOHXQAPHE-SFHVURJKSA-N 1 0 486.752 2.917 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1)[NH+](C)C ZINC001287324144 1062801260 /nfs/dbraw/zinc/80/12/60/1062801260.db2.gz YZNSYCIZLSSFDZ-QWFCFKBJSA-N 1 0 478.663 2.652 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001287327870 1062801721 /nfs/dbraw/zinc/80/17/21/1062801721.db2.gz CFLVEAUNXAYFKZ-HSZRJFAPSA-N 1 0 496.704 2.887 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295014123 1062802263 /nfs/dbraw/zinc/80/22/63/1062802263.db2.gz IVDWDOVMZNFYDF-OALUTQOASA-N 1 0 454.685 2.822 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[NH+](C(C)C)C(C)C ZINC001290929335 1062803808 /nfs/dbraw/zinc/80/38/08/1062803808.db2.gz NQAGELWZOXWOPC-GOSISDBHSA-N 1 0 452.625 2.540 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[NH+](C(C)C)C(C)C ZINC001290929337 1062804267 /nfs/dbraw/zinc/80/42/67/1062804267.db2.gz NQAGELWZOXWOPC-SFHVURJKSA-N 1 0 452.625 2.540 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)[NH+](C)C ZINC001287329156 1062805413 /nfs/dbraw/zinc/80/54/13/1062805413.db2.gz RNYDUHCAHXTRPV-AZUAARDMSA-N 1 0 471.679 2.995 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC(C)C)C1)[NH+](C)C ZINC001287329344 1062805790 /nfs/dbraw/zinc/80/57/90/1062805790.db2.gz CYACCGGREMHMBK-OALUTQOASA-N 1 0 476.622 2.612 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(O)c2)CC1)[NH+](C)C ZINC001287329769 1062806599 /nfs/dbraw/zinc/80/65/99/1062806599.db2.gz HMNAWHSSBMONNX-HXUWFJFHSA-N 1 0 450.591 2.744 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001287330084 1062806808 /nfs/dbraw/zinc/80/68/08/1062806808.db2.gz JZXOIBQMWUFSNJ-MOPGFXCFSA-N 1 0 463.030 2.897 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001287330087 1062807167 /nfs/dbraw/zinc/80/71/67/1062807167.db2.gz JZXOIBQMWUFSNJ-RTBURBONSA-N 1 0 463.030 2.897 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(OCC(N)=O)CC1)[NH+](C)C ZINC001287330414 1062807221 /nfs/dbraw/zinc/80/72/21/1062807221.db2.gz LYHHULBHCYYJAC-SFHVURJKSA-N 1 0 467.618 2.873 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295015375 1062808735 /nfs/dbraw/zinc/80/87/35/1062808735.db2.gz RAVOAILFGOGNOS-KRWDZBQOSA-N 1 0 473.647 2.675 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295015487 1062809374 /nfs/dbraw/zinc/80/93/74/1062809374.db2.gz VJIMFFRPOOQLAR-HXUWFJFHSA-N 1 0 496.722 2.592 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001287334837 1062812524 /nfs/dbraw/zinc/81/25/24/1062812524.db2.gz SGLUEJWTFKMYOZ-WIOPSUGQSA-N 1 0 455.651 2.541 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001287334832 1062812857 /nfs/dbraw/zinc/81/28/57/1062812857.db2.gz SGLUEJWTFKMYOZ-RCZVLFRGSA-N 1 0 455.651 2.541 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1)[NH+](C)C ZINC001287338036 1062815187 /nfs/dbraw/zinc/81/51/87/1062815187.db2.gz AWVTVJAAEPLJOL-GOSISDBHSA-N 1 0 480.617 2.662 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295017725 1062815026 /nfs/dbraw/zinc/81/50/26/1062815026.db2.gz NPRBNHCPOQQWOA-MRXNPFEDSA-N 1 0 469.055 2.847 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001287338009 1062815271 /nfs/dbraw/zinc/81/52/71/1062815271.db2.gz ANZADMBCPLOLJY-OTNCWRBYSA-N 1 0 489.665 2.606 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001287339061 1062816646 /nfs/dbraw/zinc/81/66/46/1062816646.db2.gz RIHBYZGHTMRXKD-VXKWHMMOSA-N 1 0 480.723 2.991 20 0 JFADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC001287338977 1062816716 /nfs/dbraw/zinc/81/67/16/1062816716.db2.gz QUBGSPMOWDMGRD-QFIPXVFZSA-N 1 0 468.646 2.865 20 0 JFADRO COc1cc(OC)cc(N2CC[C@@H](CNC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)C2)c1 ZINC001295019585 1062819061 /nfs/dbraw/zinc/81/90/61/1062819061.db2.gz JJVZYWJOCLBJQW-NRFANRHFSA-N 1 0 452.599 2.708 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287341521 1062819137 /nfs/dbraw/zinc/81/91/37/1062819137.db2.gz OGLAAZAEXYPNDQ-IFMALSPDSA-N 1 0 470.618 2.774 20 0 JFADRO COc1cc(I)ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001295020124 1062820224 /nfs/dbraw/zinc/82/02/24/1062820224.db2.gz PLBRLWQARQKYGG-IAGOWNOFSA-N 1 0 458.340 2.798 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287352272 1062824515 /nfs/dbraw/zinc/82/45/15/1062824515.db2.gz MHRLTELLONZLGT-OAQYLSRUSA-N 1 0 470.666 2.607 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001295021885 1062824582 /nfs/dbraw/zinc/82/45/82/1062824582.db2.gz NZPRXNCSHWOBLU-QFIPXVFZSA-N 1 0 486.752 2.602 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295023112 1062827325 /nfs/dbraw/zinc/82/73/25/1062827325.db2.gz WGYRSIWLRWGVHV-IBGZPJMESA-N 1 0 492.665 2.791 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287369334 1062831757 /nfs/dbraw/zinc/83/17/57/1062831757.db2.gz VSPNLGNCSGECCV-IRXDYDNUSA-N 1 0 468.597 2.857 20 0 JFADRO CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287375103 1062833332 /nfs/dbraw/zinc/83/33/32/1062833332.db2.gz VZWYVKMSOROSQU-NRFANRHFSA-N 1 0 450.672 2.525 20 0 JFADRO CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCCN1CCOC1=O ZINC001287379635 1062834639 /nfs/dbraw/zinc/83/46/39/1062834639.db2.gz QORATHHSQCFOSN-SIKLNZKXSA-N 1 0 472.638 2.572 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCC2)CC1 ZINC001295040489 1062838255 /nfs/dbraw/zinc/83/82/55/1062838255.db2.gz SJBWGRFDEPMWHW-UHFFFAOYSA-N 1 0 477.654 2.738 20 0 JFADRO Cc1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)on1 ZINC001290964895 1062840248 /nfs/dbraw/zinc/84/02/48/1062840248.db2.gz UHWIRTCWGGQLQX-SFHVURJKSA-N 1 0 472.512 2.955 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001287398474 1062843888 /nfs/dbraw/zinc/84/38/88/1062843888.db2.gz RXLVPPRKMCNXBK-UWJYYQICSA-N 1 0 461.573 2.975 20 0 JFADRO Cc1cc(CN2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970421 1062844855 /nfs/dbraw/zinc/84/48/55/1062844855.db2.gz QUCNZWQIHCWINA-SFTDATJTSA-N 1 0 459.639 2.767 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287403686 1062846934 /nfs/dbraw/zinc/84/69/34/1062846934.db2.gz PPIRSETWYOWEFZ-YWWLGCSWSA-N 1 0 473.666 2.802 20 0 JFADRO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001295052607 1062855521 /nfs/dbraw/zinc/85/55/21/1062855521.db2.gz BUSURYUEVOMWMW-RTBURBONSA-N 1 0 455.607 2.544 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001287417638 1062855631 /nfs/dbraw/zinc/85/56/31/1062855631.db2.gz CEQSBWPIZCTAHU-ZEQKJWHPSA-N 1 0 454.663 2.989 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001287421817 1062861794 /nfs/dbraw/zinc/86/17/94/1062861794.db2.gz RAYUMOUGHUZPFJ-NRFANRHFSA-N 1 0 487.624 2.863 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287422259 1062862140 /nfs/dbraw/zinc/86/21/40/1062862140.db2.gz VVEOOWGUGWPUFF-SFTDATJTSA-N 1 0 457.598 2.959 20 0 JFADRO CC(C)Cc1nnc(N2CCC3(CNC(=O)C3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001287427078 1062865511 /nfs/dbraw/zinc/86/55/11/1062865511.db2.gz FRPBJKYKNMPTIN-UHFFFAOYSA-N 1 0 454.619 2.572 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001295058147 1062865510 /nfs/dbraw/zinc/86/55/10/1062865510.db2.gz NVHNQRSBZBOVKF-UHFFFAOYSA-N 1 0 491.434 2.727 20 0 JFADRO C[NH+](C)CCn1c2cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)ccc2[nH]c1=O ZINC001290982362 1062869166 /nfs/dbraw/zinc/86/91/66/1062869166.db2.gz UIXCEEWYLHZLLT-UHFFFAOYSA-N 1 0 458.522 2.881 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1CC(C)(C)C[NH+]1CCCC1 ZINC001290984877 1062870001 /nfs/dbraw/zinc/87/00/01/1062870001.db2.gz BVHUCLIYHAPWEA-SFHVURJKSA-N 1 0 458.582 2.785 20 0 JFADRO CC(C)Cc1nnc(N2CCc3nn(C)c(=O)cc3C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287434393 1062869996 /nfs/dbraw/zinc/86/99/96/1062869996.db2.gz KWGRGBQDGMMLRE-OAQYLSRUSA-N 1 0 453.566 2.575 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001287438054 1062871721 /nfs/dbraw/zinc/87/17/21/1062871721.db2.gz SCDCQGXEDNEOGO-VXKWHMMOSA-N 1 0 460.667 2.576 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001287442030 1062873932 /nfs/dbraw/zinc/87/39/32/1062873932.db2.gz ASRAQOVWTGSSDN-SFTDATJTSA-N 1 0 468.712 2.706 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287442296 1062875211 /nfs/dbraw/zinc/87/52/11/1062875211.db2.gz GUBZLGPZBQCUOL-FGZHOGPDSA-N 1 0 480.723 2.849 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287442359 1062875780 /nfs/dbraw/zinc/87/57/80/1062875780.db2.gz HRQZMJCXYFXJPC-RTWAWAEBSA-N 1 0 462.683 2.824 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001287442532 1062876552 /nfs/dbraw/zinc/87/65/52/1062876552.db2.gz KPKIJPHWSNVXPT-OAQYLSRUSA-N 1 0 468.712 2.706 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001290989161 1062878535 /nfs/dbraw/zinc/87/85/35/1062878535.db2.gz HJGYSRZURYGJIO-KJXAQDMKSA-N 1 0 498.672 2.852 20 0 JFADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[N@H+](C)C1CC1 ZINC001290989955 1062880689 /nfs/dbraw/zinc/88/06/89/1062880689.db2.gz PJBPPQSAQDATSS-VSKRKVRLSA-N 1 0 487.737 2.976 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290990184 1062882043 /nfs/dbraw/zinc/88/20/43/1062882043.db2.gz RFJBODQSAIOUHO-QRVBRYPASA-N 1 0 471.654 2.643 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001290990530 1062883787 /nfs/dbraw/zinc/88/37/87/1062883787.db2.gz UKORDDQEFBFVEV-OTWHNJEPSA-N 1 0 455.607 2.907 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001287449066 1062886199 /nfs/dbraw/zinc/88/61/99/1062886199.db2.gz ZCBCHOHGMCJWOU-FGZHOGPDSA-N 1 0 480.723 2.993 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001287453077 1062888455 /nfs/dbraw/zinc/88/84/55/1062888455.db2.gz BGANQSDRRWLOLN-UHFFFAOYSA-N 1 0 460.667 2.816 20 0 JFADRO CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287454186 1062889112 /nfs/dbraw/zinc/88/91/12/1062889112.db2.gz NJEYPSLTSVJXIW-QFIPXVFZSA-N 1 0 477.675 2.869 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001295069905 1062890832 /nfs/dbraw/zinc/89/08/32/1062890832.db2.gz LSUMTHORCWPKOH-UHFFFAOYSA-N 1 0 494.644 2.635 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001290998322 1062891456 /nfs/dbraw/zinc/89/14/56/1062891456.db2.gz OYGWYGDIZWRYTQ-WOJBJXKFSA-N 1 0 488.702 2.982 20 0 JFADRO CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999740 1062894400 /nfs/dbraw/zinc/89/44/00/1062894400.db2.gz TTXJMFKHKAKOHK-WOZUAGRISA-N 1 0 476.666 2.616 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)C(=O)C3)nnc2C(C)(C)C)C1 ZINC001290999983 1062894599 /nfs/dbraw/zinc/89/45/99/1062894599.db2.gz MAIPZMFOGDCJPT-KDURUIRLSA-N 1 0 470.666 2.919 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C3CC3)O[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000297 1062895199 /nfs/dbraw/zinc/89/51/99/1062895199.db2.gz VOFGOQNYCBPZQJ-RVDAZCDBSA-N 1 0 496.722 2.649 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287462864 1062903153 /nfs/dbraw/zinc/90/31/53/1062903153.db2.gz TVSJOECZHTUXJN-UHFFFAOYSA-N 1 0 460.648 2.613 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287462541 1062903244 /nfs/dbraw/zinc/90/32/44/1062903244.db2.gz OIYSWAIVPOMNCS-LJQANCHMSA-N 1 0 490.599 2.686 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001295076958 1062904186 /nfs/dbraw/zinc/90/41/86/1062904186.db2.gz ZOFZDIQJGYLMQG-UHFFFAOYSA-N 1 0 465.577 2.594 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009532 1062906965 /nfs/dbraw/zinc/90/69/65/1062906965.db2.gz HORFCWYEJJGFNV-ODAXIHTASA-N 1 0 486.709 2.982 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001291010219 1062908284 /nfs/dbraw/zinc/90/82/84/1062908284.db2.gz QCWGCIOGGOBHCQ-NJYVYQBISA-N 1 0 489.690 2.568 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001287464518 1062908568 /nfs/dbraw/zinc/90/85/68/1062908568.db2.gz CJIMHUHYKMAXKD-GOTSBHOMSA-N 1 0 473.710 2.732 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010363 1062909045 /nfs/dbraw/zinc/90/90/45/1062909045.db2.gz SOFUICWMALCTPF-OYRHEFFESA-N 1 0 476.666 2.560 20 0 JFADRO CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011047 1062910929 /nfs/dbraw/zinc/91/09/29/1062910929.db2.gz DWDDIKOZGLFUHU-NXMSCROESA-N 1 0 459.639 2.584 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011016 1062911010 /nfs/dbraw/zinc/91/10/10/1062911010.db2.gz DPYQTAKIIHEGRT-ZRSRNVLSSA-N 1 0 472.725 2.587 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001291011590 1062912192 /nfs/dbraw/zinc/91/21/92/1062912192.db2.gz MOTMRMSXCWRPFK-CIAFKFPVSA-N 1 0 481.707 2.800 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001291011591 1062912249 /nfs/dbraw/zinc/91/22/49/1062912249.db2.gz MOTMRMSXCWRPFK-LNRXMEIDSA-N 1 0 481.707 2.800 20 0 JFADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291011393 1062912430 /nfs/dbraw/zinc/91/24/30/1062912430.db2.gz JTGNMJYFOXNMDK-DNVJHFABSA-N 1 0 489.709 2.534 20 0 JFADRO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CCC[NH+](C)C)CC3)CC2)cc1 ZINC001295082468 1062913918 /nfs/dbraw/zinc/91/39/18/1062913918.db2.gz RJQQWNAILUMYMU-UHFFFAOYSA-N 1 0 451.633 2.676 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012480 1062916675 /nfs/dbraw/zinc/91/66/75/1062916675.db2.gz ZVBHPBQYQUINAE-ZCNNSNEGSA-N 1 0 491.681 2.888 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001287469810 1062917227 /nfs/dbraw/zinc/91/72/27/1062917227.db2.gz VMTSOLYFOKQXRX-UUOWRZLLSA-N 1 0 462.589 2.705 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012708 1062917869 /nfs/dbraw/zinc/91/78/69/1062917869.db2.gz DBUNVAOHHIBJCK-ZGXWSNOMSA-N 1 0 489.665 2.701 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012705 1062918014 /nfs/dbraw/zinc/91/80/14/1062918014.db2.gz DBUNVAOHHIBJCK-IYWMVGAKSA-N 1 0 489.665 2.701 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291013139 1062918661 /nfs/dbraw/zinc/91/86/61/1062918661.db2.gz JPASYQQZQVQULV-CIAFKFPVSA-N 1 0 481.707 2.944 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001295084463 1062919558 /nfs/dbraw/zinc/91/95/58/1062919558.db2.gz OTIUNHHVGYLTLC-UHFFFAOYSA-N 1 0 458.607 2.655 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291013803 1062921919 /nfs/dbraw/zinc/92/19/19/1062921919.db2.gz RWGFYEDEYQZRLE-ROUUACIJSA-N 1 0 451.612 2.933 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291014077 1062922541 /nfs/dbraw/zinc/92/25/41/1062922541.db2.gz XGMHPNKZGDJIRR-RTBURBONSA-N 1 0 462.602 2.838 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(N3CCN(c4ncccc4C(N)=O)CC3)nnc2C(C)(C)C)C1 ZINC001291014851 1062924322 /nfs/dbraw/zinc/92/43/22/1062924322.db2.gz JCKNIENPDHJMGF-WOJBJXKFSA-N 1 0 482.677 2.764 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001287475980 1062926604 /nfs/dbraw/zinc/92/66/04/1062926604.db2.gz DTCQRUFHDJBDOG-LJQANCHMSA-N 1 0 464.655 2.938 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001291015765 1062927127 /nfs/dbraw/zinc/92/71/27/1062927127.db2.gz VUZUKVCPWCGYFZ-OTWHNJEPSA-N 1 0 460.648 2.863 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001287476215 1062927610 /nfs/dbraw/zinc/92/76/10/1062927610.db2.gz GJBHZXOUQHEBII-JOCHJYFZSA-N 1 0 461.699 2.587 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001287476756 1062932335 /nfs/dbraw/zinc/93/23/35/1062932335.db2.gz OLDZXUKILBVLKO-UHFFFAOYSA-N 1 0 495.716 2.960 20 0 JFADRO CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001295111130 1062934793 /nfs/dbraw/zinc/93/47/93/1062934793.db2.gz TUTUVKNJDVIPOW-UHFFFAOYSA-N 1 0 471.631 2.683 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cccc(F)c1 ZINC001287481549 1062937146 /nfs/dbraw/zinc/93/71/46/1062937146.db2.gz FNTAGTZBMWZAOS-QHCPKHFHSA-N 1 0 458.626 2.895 20 0 JFADRO CCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001295119279 1062937371 /nfs/dbraw/zinc/93/73/71/1062937371.db2.gz MQDFTXQUNAYNLW-UHFFFAOYSA-N 1 0 483.661 2.966 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(S(=O)(=O)CC)CC2)c1 ZINC001295126280 1062940692 /nfs/dbraw/zinc/94/06/92/1062940692.db2.gz DOKPHQFWHWXJPG-UHFFFAOYSA-N 1 0 483.642 2.639 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287486181 1062942082 /nfs/dbraw/zinc/94/20/82/1062942082.db2.gz HPIPDSAJJDQFQA-HBMCJLEFSA-N 1 0 468.712 2.705 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 ZINC001295126625 1062942278 /nfs/dbraw/zinc/94/22/78/1062942278.db2.gz GMEOWJZYHWXCPV-RUZDIDTESA-N 1 0 467.618 2.716 20 0 JFADRO CCN(c1nnc(Cc2ccccn2)n1Cc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295126847 1062943591 /nfs/dbraw/zinc/94/35/91/1062943591.db2.gz IXFKFETWMOAHKY-HSZRJFAPSA-N 1 0 482.654 2.777 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)NC)CC2)c1 ZINC001295127359 1062945621 /nfs/dbraw/zinc/94/56/21/1062945621.db2.gz OILUWLPIJJJQDI-UHFFFAOYSA-N 1 0 461.614 2.726 20 0 JFADRO CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287488358 1062946288 /nfs/dbraw/zinc/94/62/88/1062946288.db2.gz AHDUTAFIHRHTAE-RLSLOFABSA-N 1 0 473.666 2.850 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001295127398 1062946763 /nfs/dbraw/zinc/94/67/63/1062946763.db2.gz QFXWJCBURWCJGQ-UHFFFAOYSA-N 1 0 482.654 2.777 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001287488487 1062946855 /nfs/dbraw/zinc/94/68/55/1062946855.db2.gz ZGMZBVLZBNPYPE-FQEVSTJZSA-N 1 0 474.675 2.611 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)c1 ZINC001295127871 1062946992 /nfs/dbraw/zinc/94/69/92/1062946992.db2.gz VQOPFPBSFLPEQF-UHFFFAOYSA-N 1 0 482.654 2.725 20 0 JFADRO CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295128114 1062948888 /nfs/dbraw/zinc/94/88/88/1062948888.db2.gz WZBFWJPGXSMSFA-HSZRJFAPSA-N 1 0 482.654 2.777 20 0 JFADRO CC(C)Cc1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287495693 1062950252 /nfs/dbraw/zinc/95/02/52/1062950252.db2.gz SFMRJLDHVLEAEO-HXUWFJFHSA-N 1 0 461.680 2.785 20 0 JFADRO CC1CC[NH+](CCc2cccc(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)c2)CC1 ZINC001295134294 1062951602 /nfs/dbraw/zinc/95/16/02/1062951602.db2.gz PIIVZVCPIPBSEI-XMMPIXPASA-N 1 0 456.587 2.515 20 0 JFADRO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)C1CCC1 ZINC001295144424 1062962550 /nfs/dbraw/zinc/96/25/50/1062962550.db2.gz IYOQARPZOHGKMD-PMACEKPBSA-N 1 0 496.722 2.938 20 0 JFADRO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CCCCC1)[C@H](C)C1CCC1 ZINC001295144427 1062963166 /nfs/dbraw/zinc/96/31/66/1062963166.db2.gz IYOQARPZOHGKMD-WOJBJXKFSA-N 1 0 496.722 2.938 20 0 JFADRO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCc2sccc2C1)C1CCCC1 ZINC001295145075 1062964359 /nfs/dbraw/zinc/96/43/59/1062964359.db2.gz NGWVRGRMULMFCU-INIZCTEOSA-N 1 0 466.677 2.777 20 0 JFADRO CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001295152832 1062973143 /nfs/dbraw/zinc/97/31/43/1062973143.db2.gz SPFBHDASSZMGBN-LGVFNWMJSA-N 1 0 497.706 2.597 20 0 JFADRO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001287544818 1062977327 /nfs/dbraw/zinc/97/73/27/1062977327.db2.gz QPEOOFVXOVNLAP-FCBCXNLDSA-N 1 0 476.710 2.964 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 ZINC001291051115 1062979923 /nfs/dbraw/zinc/97/99/23/1062979923.db2.gz AFSAYOGSYQHECF-PMACEKPBSA-N 1 0 461.699 2.733 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051102 1062980264 /nfs/dbraw/zinc/98/02/64/1062980264.db2.gz ACSRBTWCMNUPMZ-FFHOAYQKSA-N 1 0 462.683 2.574 20 0 JFADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCS(=O)(=O)C1 ZINC001295157734 1062981393 /nfs/dbraw/zinc/98/13/93/1062981393.db2.gz IPVPBTQWSJDQPZ-RTWAWAEBSA-N 1 0 496.077 2.849 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001291051736 1062982017 /nfs/dbraw/zinc/98/20/17/1062982017.db2.gz JIGGGKZPRYEMIF-BDTNDASRSA-N 1 0 494.750 2.829 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001291051737 1062982073 /nfs/dbraw/zinc/98/20/73/1062982073.db2.gz JIGGGKZPRYEMIF-BHIFYINESA-N 1 0 494.750 2.829 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001291051738 1062982214 /nfs/dbraw/zinc/98/22/14/1062982214.db2.gz JIGGGKZPRYEMIF-VSKRKVRLSA-N 1 0 494.750 2.829 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291051671 1062982347 /nfs/dbraw/zinc/98/23/47/1062982347.db2.gz IUAVWFICFVATDW-BGYRXZFFSA-N 1 0 461.699 2.875 20 0 JFADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC001295160642 1062983190 /nfs/dbraw/zinc/98/31/90/1062983190.db2.gz BUBBDGYKAMTZKR-BGYRXZFFSA-N 1 0 492.690 2.929 20 0 JFADRO CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC001295160644 1062983382 /nfs/dbraw/zinc/98/33/82/1062983382.db2.gz BUBBDGYKAMTZKR-WOJBJXKFSA-N 1 0 492.690 2.929 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 ZINC001291052577 1062984401 /nfs/dbraw/zinc/98/44/01/1062984401.db2.gz VPIBSFSSTOVNSA-SFTDATJTSA-N 1 0 482.739 2.785 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 ZINC001291052762 1062984570 /nfs/dbraw/zinc/98/45/70/1062984570.db2.gz 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GTCSJZKDLZYJIS-KOSHJBKYSA-N 1 0 456.639 2.829 20 0 JFADRO C[C@@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291065707 1063011162 /nfs/dbraw/zinc/01/11/62/1063011162.db2.gz FJSUOXVWZYWGMN-IDVKNYFZSA-N 1 0 485.599 2.813 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC001291065964 1063011564 /nfs/dbraw/zinc/01/15/64/1063011564.db2.gz HVXAAURTTAXDEE-VGOFRKELSA-N 1 0 450.582 2.576 20 0 JFADRO C[C@H]1CCC[C@@](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC001291065962 1063011642 /nfs/dbraw/zinc/01/16/42/1063011642.db2.gz HVXAAURTTAXDEE-HTAPYJJXSA-N 1 0 450.582 2.576 20 0 JFADRO C[C@H]1CCC[C@](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC001291065963 1063011716 /nfs/dbraw/zinc/01/17/16/1063011716.db2.gz HVXAAURTTAXDEE-JTSKRJEESA-N 1 0 450.582 2.576 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001295188534 1063011908 /nfs/dbraw/zinc/01/19/08/1063011908.db2.gz 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/nfs/dbraw/zinc/20/69/13/1063206913.db2.gz SOTQXHPKYBBJEF-YADHBBJMSA-N 1 0 470.662 2.622 20 0 JFADRO CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001295324604 1063209258 /nfs/dbraw/zinc/20/92/58/1063209258.db2.gz WCQIZQKBNSLRDI-FQEVSTJZSA-N 1 0 453.568 2.881 20 0 JFADRO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001295325865 1063211145 /nfs/dbraw/zinc/21/11/45/1063211145.db2.gz VAJUZWHMQOINTE-MOPGFXCFSA-N 1 0 487.674 2.591 20 0 JFADRO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001295325867 1063211893 /nfs/dbraw/zinc/21/18/93/1063211893.db2.gz VAJUZWHMQOINTE-RBUKOAKNSA-N 1 0 487.674 2.591 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccco1)[NH+]1CCC(C)CC1 ZINC001291142111 1063218448 /nfs/dbraw/zinc/21/84/48/1063218448.db2.gz YETINSZHQCVVKV-QYZOEREBSA-N 1 0 464.636 2.943 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291142321 1063219709 /nfs/dbraw/zinc/21/97/09/1063219709.db2.gz CBHPSZGDJLQJLF-SFHVURJKSA-N 1 0 456.591 2.755 20 0 JFADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142970 1063220602 /nfs/dbraw/zinc/22/06/02/1063220602.db2.gz ONCNNSNQPMIGNH-ROUUACIJSA-N 1 0 481.567 2.909 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291143084 1063221170 /nfs/dbraw/zinc/22/11/70/1063221170.db2.gz QJHMBCPIWPNVQV-QZWWFDLISA-N 1 0 458.529 2.506 20 0 JFADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291143821 1063223390 /nfs/dbraw/zinc/22/33/90/1063223390.db2.gz CZOPYORZMQZUMD-NJDAHSKKSA-N 1 0 492.665 2.932 20 0 JFADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC001291143991 1063223894 /nfs/dbraw/zinc/22/38/94/1063223894.db2.gz HCYCSQGWDCDRBH-NHCUHLMSSA-N 1 0 460.667 2.815 20 0 JFADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC001291143992 1063224365 /nfs/dbraw/zinc/22/43/65/1063224365.db2.gz HCYCSQGWDCDRBH-RTWAWAEBSA-N 1 0 460.667 2.815 20 0 JFADRO C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291144194 1063224811 /nfs/dbraw/zinc/22/48/11/1063224811.db2.gz KOKRGEBWQXNLHG-DEOSSOPVSA-N 1 0 495.716 2.784 20 0 JFADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144336 1063225611 /nfs/dbraw/zinc/22/56/11/1063225611.db2.gz NBCKMUGIJDUWQH-QRVBRYPASA-N 1 0 458.573 2.975 20 0 JFADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291144783 1063227568 /nfs/dbraw/zinc/22/75/68/1063227568.db2.gz UVTZGXHDMGSWOI-RTBURBONSA-N 1 0 458.582 2.784 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC[N@@H+]1Cc1ccccc1 ZINC001291145921 1063229786 /nfs/dbraw/zinc/22/97/86/1063229786.db2.gz SDHWMSNSSVBEJI-OAQYLSRUSA-N 1 0 486.686 2.731 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001291146527 1063231137 /nfs/dbraw/zinc/23/11/37/1063231137.db2.gz GMDWEWUZZPUMMH-XLIONFOSSA-N 1 0 461.010 2.555 20 0 JFADRO CCOC(=O)CNC(=O)C1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC001295332230 1063231613 /nfs/dbraw/zinc/23/16/13/1063231613.db2.gz FFAXCTSBTPXFFK-UHFFFAOYSA-N 1 0 451.567 2.850 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295334307 1063236806 /nfs/dbraw/zinc/23/68/06/1063236806.db2.gz KBMUAIDBYPKZHR-QFIPXVFZSA-N 1 0 475.726 2.979 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCC[C@H]2C)[C@@H]1C ZINC001291150488 1063237980 /nfs/dbraw/zinc/23/79/80/1063237980.db2.gz DGNHDHBYUNNYOD-GUDVDZBRSA-N 1 0 460.648 2.914 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001291150490 1063238428 /nfs/dbraw/zinc/23/84/28/1063238428.db2.gz DGNHDHBYUNNYOD-QYZOEREBSA-N 1 0 460.648 2.914 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295335038 1063247257 /nfs/dbraw/zinc/24/72/57/1063247257.db2.gz WZSNJSBBQUOVPY-FCHUYYIVSA-N 1 0 473.710 2.732 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291164360 1063248450 /nfs/dbraw/zinc/24/84/50/1063248450.db2.gz TYKVJXUEIQIQOQ-KYCQWFEFSA-N 1 0 476.666 2.942 20 0 JFADRO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291165184 1063249732 /nfs/dbraw/zinc/24/97/32/1063249732.db2.gz HEDFXIPZFZBOLM-MPCDZSKCSA-N 1 0 476.666 2.942 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295336823 1063261094 /nfs/dbraw/zinc/26/10/94/1063261094.db2.gz XGSZBUIVLYVEIV-DEOSSOPVSA-N 1 0 496.704 2.841 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295338042 1063264887 /nfs/dbraw/zinc/26/48/87/1063264887.db2.gz LJOXGGNDHQVCMM-UHFFFAOYSA-N 1 0 496.704 2.761 20 0 JFADRO CC(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179916 1063270357 /nfs/dbraw/zinc/27/03/57/1063270357.db2.gz PYGPZCYTPSTJIS-UHFFFAOYSA-N 1 0 454.685 2.679 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180228 1063271798 /nfs/dbraw/zinc/27/17/98/1063271798.db2.gz XFNFPGSHIBYDOW-QZTJIDSGSA-N 1 0 476.638 2.882 20 0 JFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC001295343442 1063272948 /nfs/dbraw/zinc/27/29/48/1063272948.db2.gz VVVOSQFVEDINTJ-OAHLLOKOSA-N 1 0 450.992 2.941 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001291180592 1063272986 /nfs/dbraw/zinc/27/29/86/1063272986.db2.gz HERRYCAQTRVZJZ-FKBYEOEOSA-N 1 0 496.722 2.748 20 0 JFADRO CC1CC[NH+](CCCCn2c(Cc3ccccc3F)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001291180719 1063273063 /nfs/dbraw/zinc/27/30/63/1063273063.db2.gz KWQYBNUHKUBOBV-UHFFFAOYSA-N 1 0 486.636 2.815 20 0 JFADRO CC1CC[NH+](CCCCn2c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001291181502 1063275356 /nfs/dbraw/zinc/27/53/56/1063275356.db2.gz JQGIFRVANANDBX-NRFANRHFSA-N 1 0 460.667 2.915 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 ZINC001291182677 1063278532 /nfs/dbraw/zinc/27/85/32/1063278532.db2.gz UCKDTUCMCMFWIS-FQEVSTJZSA-N 1 0 453.653 2.655 20 0 JFADRO CC1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001291183058 1063279660 /nfs/dbraw/zinc/27/96/60/1063279660.db2.gz DYZNFDIGEJHNIZ-UHFFFAOYSA-N 1 0 453.635 2.868 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001291183795 1063281113 /nfs/dbraw/zinc/28/11/13/1063281113.db2.gz FFMUNBXRCKGOEW-IBGZPJMESA-N 1 0 452.024 2.954 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[NH+]1CCC(C)CC1 ZINC001291183928 1063281578 /nfs/dbraw/zinc/28/15/78/1063281578.db2.gz JOHCGASAFMTJSV-HNNXBMFYSA-N 1 0 488.580 2.674 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccccn3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001291184106 1063282517 /nfs/dbraw/zinc/28/25/17/1063282517.db2.gz OCRVJICXPNXBFY-UHFFFAOYSA-N 1 0 479.551 2.967 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3COc4ccccc4O3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001291185245 1063285190 /nfs/dbraw/zinc/28/51/90/1063285190.db2.gz XPWRSMDNFFXALI-OAQYLSRUSA-N 1 0 470.618 2.873 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC[NH+]1CCC(C)CC1 ZINC001291185780 1063286345 /nfs/dbraw/zinc/28/63/45/1063286345.db2.gz PVDUDPNULMFBSG-IBGZPJMESA-N 1 0 472.659 2.951 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N3CCC(CCC(N)=O)CC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291186060 1063287994 /nfs/dbraw/zinc/28/79/94/1063287994.db2.gz YAAAOHPTJCMOMG-VWLOTQADSA-N 1 0 476.666 2.533 20 0 JFADRO CC(C)O[C@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185960 1063288203 /nfs/dbraw/zinc/28/82/03/1063288203.db2.gz VLFRQUCAHCWGAM-RUZDIDTESA-N 1 0 479.666 2.886 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186659 1063292076 /nfs/dbraw/zinc/29/20/76/1063292076.db2.gz INMXITCBJLKWFR-ZVDOUQERSA-N 1 0 476.666 2.889 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C[C@H](C)O1 ZINC001291187003 1063293860 /nfs/dbraw/zinc/29/38/60/1063293860.db2.gz NJUDNVYPRCUFSK-HDICACEKSA-N 1 0 465.602 2.896 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187409 1063295462 /nfs/dbraw/zinc/29/54/62/1063295462.db2.gz UGLULQXLQVQWSP-BGYRXZFFSA-N 1 0 469.634 2.647 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187358 1063295707 /nfs/dbraw/zinc/29/57/07/1063295707.db2.gz SWARHOJBRZRRLR-WOZUAGRISA-N 1 0 462.683 2.979 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187354 1063296002 /nfs/dbraw/zinc/29/60/02/1063296002.db2.gz SVACXBWNHSOFHH-OTWHNJEPSA-N 1 0 488.608 2.771 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187452 1063296561 /nfs/dbraw/zinc/29/65/61/1063296561.db2.gz USEHEPBJAOCVMT-HGJUEJDCSA-N 1 0 496.722 2.935 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001295351050 1063296756 /nfs/dbraw/zinc/29/67/56/1063296756.db2.gz MNJOVYJBSPRMIB-UHFFFAOYSA-N 1 0 495.607 2.590 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C[C@H](C)O1 ZINC001291187776 1063298057 /nfs/dbraw/zinc/29/80/57/1063298057.db2.gz ZGJNYHYKEQVXOB-ZCNNSNEGSA-N 1 0 496.722 2.589 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295351943 1063298933 /nfs/dbraw/zinc/29/89/33/1063298933.db2.gz TZXNYIDWDMXHRC-FGZHOGPDSA-N 1 0 469.634 2.669 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291188000 1063299499 /nfs/dbraw/zinc/29/94/99/1063299499.db2.gz COGPKUBKOXCSFQ-ROUUACIJSA-N 1 0 488.608 2.586 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)C[C@@H](C)O1 ZINC001291188130 1063300717 /nfs/dbraw/zinc/30/07/17/1063300717.db2.gz FZHBHQCBMKUVJT-RTBURBONSA-N 1 0 477.604 2.539 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@@H](C)O1 ZINC001291188491 1063303786 /nfs/dbraw/zinc/30/37/86/1063303786.db2.gz LEWZQAXKPUMPLG-GUDVDZBRSA-N 1 0 488.608 2.551 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCCC1 ZINC001291189588 1063311387 /nfs/dbraw/zinc/31/13/87/1063311387.db2.gz DRLCMZFAVGFFML-OAHLLOKOSA-N 1 0 479.398 3.000 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295356180 1063311469 /nfs/dbraw/zinc/31/14/69/1063311469.db2.gz RMMDICQZDWRREH-QHCPKHFHSA-N 1 0 482.677 2.968 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCCC2)CC1 ZINC001295356830 1063312999 /nfs/dbraw/zinc/31/29/99/1063312999.db2.gz ZFOHIUOBDNZGAW-UHFFFAOYSA-N 1 0 483.661 2.947 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001295357615 1063313513 /nfs/dbraw/zinc/31/35/13/1063313513.db2.gz BIGFZMXRMLEYSW-MSOLQXFVSA-N 1 0 484.630 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001295357997 1063313987 /nfs/dbraw/zinc/31/39/87/1063313987.db2.gz FFZVKPSULCKONM-RTBURBONSA-N 1 0 455.607 2.787 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001295357992 1063314008 /nfs/dbraw/zinc/31/40/08/1063314008.db2.gz FFZVKPSULCKONM-OALUTQOASA-N 1 0 455.607 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295358017 1063314027 /nfs/dbraw/zinc/31/40/27/1063314027.db2.gz FOEBNGLBAHVELU-QZTJIDSGSA-N 1 0 465.643 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001295358627 1063315225 /nfs/dbraw/zinc/31/52/25/1063315225.db2.gz KYFBVUGVYQLPPN-JOCHJYFZSA-N 1 0 495.672 2.905 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295358377 1063315433 /nfs/dbraw/zinc/31/54/33/1063315433.db2.gz JEQJOUDGTQJAFX-UHFFFAOYSA-N 1 0 485.608 2.842 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001295358789 1063315887 /nfs/dbraw/zinc/31/58/87/1063315887.db2.gz NSGPHTHVWKSUFS-SFHVURJKSA-N 1 0 490.052 2.762 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001295358929 1063316833 /nfs/dbraw/zinc/31/68/33/1063316833.db2.gz QUOOVQRRXHJHGV-INIZCTEOSA-N 1 0 453.595 2.642 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295358985 1063317294 /nfs/dbraw/zinc/31/72/94/1063317294.db2.gz SRYKXLCEHRRHER-ZWKOTPCHSA-N 1 0 486.621 2.759 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001295362918 1063323084 /nfs/dbraw/zinc/32/30/84/1063323084.db2.gz SGCHVFRCAJMVNF-LSDHHAIUSA-N 1 0 468.590 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295363408 1063324224 /nfs/dbraw/zinc/32/42/24/1063324224.db2.gz VXDABHIQIRINHG-RHSMWYFYSA-N 1 0 493.454 2.806 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295364086 1063325946 /nfs/dbraw/zinc/32/59/46/1063325946.db2.gz CAFXPBUPEZOIOU-LJQANCHMSA-N 1 0 452.607 2.744 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295365308 1063327631 /nfs/dbraw/zinc/32/76/31/1063327631.db2.gz GSOOKBHUKQOEBS-WIYYLYMNSA-N 1 0 456.635 2.924 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001291194560 1063327900 /nfs/dbraw/zinc/32/79/00/1063327900.db2.gz ZZXPXNTUOGDPET-OALUTQOASA-N 1 0 475.638 2.503 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295365630 1063328299 /nfs/dbraw/zinc/32/82/99/1063328299.db2.gz HZRQKTNVWJDPFE-KOSHJBKYSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](COC)C1 ZINC001295366289 1063330231 /nfs/dbraw/zinc/33/02/31/1063330231.db2.gz RWMPOJFRRYRQMR-PMACEKPBSA-N 1 0 467.622 2.904 20 0 JFADRO C[C@H]1CN(c2ccccc2F)CCN1c1nnc(Cc2ccccn2)n1CCOCC[NH+](C)C ZINC001291194896 1063330761 /nfs/dbraw/zinc/33/07/61/1063330761.db2.gz GWRBONWFHDWVLH-FQEVSTJZSA-N 1 0 467.593 2.696 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001295367044 1063331700 /nfs/dbraw/zinc/33/17/00/1063331700.db2.gz SDEVAJSYYOYZTP-ICSRJNTNSA-N 1 0 486.646 2.512 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001295367422 1063332203 /nfs/dbraw/zinc/33/22/03/1063332203.db2.gz SYZXSJFFFBNOJX-HXUWFJFHSA-N 1 0 471.650 2.711 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001295367462 1063332288 /nfs/dbraw/zinc/33/22/88/1063332288.db2.gz UKLHKNDSTPKCGG-NQIIRXRSSA-N 1 0 492.690 2.787 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295367488 1063332528 /nfs/dbraw/zinc/33/25/28/1063332528.db2.gz UPYOHICCFDIKIC-BXKMTCNYSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295367492 1063333250 /nfs/dbraw/zinc/33/32/50/1063333250.db2.gz UPYOHICCFDIKIC-OSPHWJPCSA-N 1 0 456.591 2.552 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195916 1063335935 /nfs/dbraw/zinc/33/59/35/1063335935.db2.gz ANXYNNDLTMFEPC-MSOLQXFVSA-N 1 0 485.599 2.707 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001295370985 1063336684 /nfs/dbraw/zinc/33/66/84/1063336684.db2.gz NTLIYVBNANAOOH-GOSISDBHSA-N 1 0 454.623 2.941 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1 ZINC001295372265 1063338290 /nfs/dbraw/zinc/33/82/90/1063338290.db2.gz CDZZPNWSAKRSCS-SJORKVTESA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001295372761 1063339549 /nfs/dbraw/zinc/33/95/49/1063339549.db2.gz HRWBAJKQWHOUQL-RBUKOAKNSA-N 1 0 494.644 2.633 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 ZINC001295373002 1063340023 /nfs/dbraw/zinc/34/00/23/1063340023.db2.gz JROYAUCRGPJWEZ-GOSISDBHSA-N 1 0 452.607 2.629 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001295372946 1063340043 /nfs/dbraw/zinc/34/00/43/1063340043.db2.gz IUMNHBYTEFAMEQ-FQEVSTJZSA-N 1 0 464.618 2.761 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373940 1063342655 /nfs/dbraw/zinc/34/26/55/1063342655.db2.gz UILVLVWWHKADFI-FGZHOGPDSA-N 1 0 496.704 2.948 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001291197384 1063343144 /nfs/dbraw/zinc/34/31/44/1063343144.db2.gz DCZCHOXIUMHCQQ-HOTGVXAUSA-N 1 0 469.512 2.812 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)OC)CC1 ZINC001295375927 1063344115 /nfs/dbraw/zinc/34/41/15/1063344115.db2.gz GJYGIOISKDBLDB-LJQANCHMSA-N 1 0 484.649 2.572 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001295376059 1063344185 /nfs/dbraw/zinc/34/41/85/1063344185.db2.gz IROFFEYGGQGLOY-IAGOWNOFSA-N 1 0 464.552 2.925 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295375164 1063344233 /nfs/dbraw/zinc/34/42/33/1063344233.db2.gz ZXTGQPVMOLJXIO-ZHALLVOQSA-N 1 0 460.627 2.758 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001295376166 1063344767 /nfs/dbraw/zinc/34/47/67/1063344767.db2.gz KAYYPIHKBAYUKS-JXFKEZNVSA-N 1 0 461.561 2.564 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC001295376467 1063345217 /nfs/dbraw/zinc/34/52/17/1063345217.db2.gz MYTWAKJKFJJOTP-HJNYFJLDSA-N 1 0 454.619 2.798 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001295376425 1063345280 /nfs/dbraw/zinc/34/52/80/1063345280.db2.gz MGNYYLVILYRVQA-YLJYHZDGSA-N 1 0 488.036 2.575 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295376742 1063345738 /nfs/dbraw/zinc/34/57/38/1063345738.db2.gz PPTJRAVTXZVVBL-AABGKKOBSA-N 1 0 491.681 2.825 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295376908 1063346182 /nfs/dbraw/zinc/34/61/82/1063346182.db2.gz QKQVAGFFABEICC-SLFFLAALSA-N 1 0 456.639 2.796 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CCCO1 ZINC001291198065 1063346962 /nfs/dbraw/zinc/34/69/62/1063346962.db2.gz PFAUMZQVVWQIMI-DLBZAZTESA-N 1 0 455.588 2.905 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001295379196 1063349846 /nfs/dbraw/zinc/34/98/46/1063349846.db2.gz LEMAGFWOXIDDMO-RBBKRZOGSA-N 1 0 470.618 2.971 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001295379254 1063350295 /nfs/dbraw/zinc/35/02/95/1063350295.db2.gz LPXZGUFZPFPMCU-RBUKOAKNSA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379893 1063351835 /nfs/dbraw/zinc/35/18/35/1063351835.db2.gz NJNNDBLBJRJRQX-NVXWUHKLSA-N 1 0 455.575 2.825 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001295379881 1063351873 /nfs/dbraw/zinc/35/18/73/1063351873.db2.gz NHOQZEWUIYSBOX-PKOBYXMFSA-N 1 0 458.607 2.813 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@]2(CCOC2)O1 ZINC001291199359 1063352443 /nfs/dbraw/zinc/35/24/43/1063352443.db2.gz LXXGNABXHDZJQF-CLOONOSVSA-N 1 0 457.619 2.949 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001295380326 1063353117 /nfs/dbraw/zinc/35/31/17/1063353117.db2.gz PKZIDUMLIKBCPA-JBYIUTFZSA-N 1 0 455.669 2.552 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001295381684 1063354371 /nfs/dbraw/zinc/35/43/71/1063354371.db2.gz VYHDLVOHBRTGME-RBUKOAKNSA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295382212 1063354903 /nfs/dbraw/zinc/35/49/03/1063354903.db2.gz ZGHPKEGILLSYAO-HZPDHXFCSA-N 1 0 455.575 2.501 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@H]1N1CCOCC1 ZINC001291201451 1063357167 /nfs/dbraw/zinc/35/71/67/1063357167.db2.gz WACUAWXJKMOWHF-NVXWUHKLSA-N 1 0 450.534 2.777 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291203849 1063360380 /nfs/dbraw/zinc/36/03/80/1063360380.db2.gz LQKWKKPOHZZLQA-SFHVURJKSA-N 1 0 460.648 2.602 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001295386238 1063362409 /nfs/dbraw/zinc/36/24/09/1063362409.db2.gz SJIDJOIZXLFWHE-BGRXAOQBSA-N 1 0 460.648 2.597 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295386731 1063363512 /nfs/dbraw/zinc/36/35/12/1063363512.db2.gz WFAHZVAOMPLONT-CPJSRVTESA-N 1 0 489.686 2.817 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291205544 1063364618 /nfs/dbraw/zinc/36/46/18/1063364618.db2.gz KKPNANAYKGAHOG-WCVJEAGWSA-N 1 0 472.706 2.583 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001291205980 1063366534 /nfs/dbraw/zinc/36/65/34/1063366534.db2.gz QQBDCRRVVUPLHE-ZACQAIPSSA-N 1 0 484.717 2.729 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001291206089 1063367166 /nfs/dbraw/zinc/36/71/66/1063367166.db2.gz RYZFQMKFLDAQKS-DYXWJJEUSA-N 1 0 490.674 2.729 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001295389679 1063367093 /nfs/dbraw/zinc/36/70/93/1063367093.db2.gz GIBPVDDYZTZWDQ-OALUTQOASA-N 1 0 458.582 2.928 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 ZINC001295390200 1063368734 /nfs/dbraw/zinc/36/87/34/1063368734.db2.gz LIHPQSQBDMKFKD-GUDVDZBRSA-N 1 0 450.628 2.815 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295390223 1063368895 /nfs/dbraw/zinc/36/88/95/1063368895.db2.gz LUGMMOWIAVOFTK-KNQAVFIVSA-N 1 0 486.661 2.836 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001295390054 1063368953 /nfs/dbraw/zinc/36/89/53/1063368953.db2.gz KNNJDCIEVQSXCW-FQEVSTJZSA-N 1 0 476.691 2.958 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001291206481 1063369354 /nfs/dbraw/zinc/36/93/54/1063369354.db2.gz XALISGXRSNBXAQ-ZWKOTPCHSA-N 1 0 454.685 2.881 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295390322 1063369555 /nfs/dbraw/zinc/36/95/55/1063369555.db2.gz NMQXWWMHQHGJKP-JOCHJYFZSA-N 1 0 498.672 2.971 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295390515 1063369988 /nfs/dbraw/zinc/36/99/88/1063369988.db2.gz PMDJMXYFQGTWGI-PLGVSFSBSA-N 1 0 489.665 2.638 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291206619 1063370019 /nfs/dbraw/zinc/37/00/19/1063370019.db2.gz ZCQTTWFMBPZOID-IAGOWNOFSA-N 1 0 452.669 2.635 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1)c1ccco1 ZINC001295390767 1063370934 /nfs/dbraw/zinc/37/09/34/1063370934.db2.gz AGQJVQXERWPATJ-LJQANCHMSA-N 1 0 494.600 2.564 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccsc1 ZINC001295391188 1063374266 /nfs/dbraw/zinc/37/42/66/1063374266.db2.gz DRJAKQTZCYCXPE-ICSRJNTNSA-N 1 0 487.674 2.621 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC001295392683 1063377759 /nfs/dbraw/zinc/37/77/59/1063377759.db2.gz MMWYQDRYXMBJML-FQEVSTJZSA-N 1 0 450.543 2.995 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1)C(C)C ZINC001291208182 1063378807 /nfs/dbraw/zinc/37/88/07/1063378807.db2.gz ULMKROOZAIFKKF-KURKYZTESA-N 1 0 460.714 2.727 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 ZINC001295394452 1063381022 /nfs/dbraw/zinc/38/10/22/1063381022.db2.gz ZPRMAXBAEVQQPC-RXFWQSSRSA-N 1 0 490.612 2.710 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397425 1063384299 /nfs/dbraw/zinc/38/42/99/1063384299.db2.gz MYRNQNMIAINJNW-RTBURBONSA-N 1 0 462.595 2.993 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397423 1063384341 /nfs/dbraw/zinc/38/43/41/1063384341.db2.gz MYRNQNMIAINJNW-RBUKOAKNSA-N 1 0 462.595 2.993 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210878 1063390793 /nfs/dbraw/zinc/39/07/93/1063390793.db2.gz KBELEELJWDDSMR-GOEBONIOSA-N 1 0 469.453 2.824 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295404623 1063391152 /nfs/dbraw/zinc/39/11/52/1063391152.db2.gz LNCAVXYXMAVJIJ-HXUWFJFHSA-N 1 0 470.647 2.611 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCCC2)CC(=O)N1C ZINC001291210952 1063392246 /nfs/dbraw/zinc/39/22/46/1063392246.db2.gz LHLMSHFWPGUVBQ-MRXNPFEDSA-N 1 0 478.439 2.589 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCC(O)CC2)CCCO1 ZINC001291211465 1063393893 /nfs/dbraw/zinc/39/38/93/1063393893.db2.gz VJUDYSZDBJIMGQ-INIZCTEOSA-N 1 0 481.439 2.508 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 ZINC001295407104 1063398443 /nfs/dbraw/zinc/39/84/43/1063398443.db2.gz PNYBUKIHTPZKEB-QHCPKHFHSA-N 1 0 497.688 2.733 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccccc1 ZINC001295407140 1063398594 /nfs/dbraw/zinc/39/85/94/1063398594.db2.gz PUDWXOWMJAICMQ-WBADGQHESA-N 1 0 485.629 2.615 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001295408333 1063401896 /nfs/dbraw/zinc/40/18/96/1063401896.db2.gz ZGYNZYGDKAGAPS-PKTZIBPZSA-N 1 0 454.619 2.924 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408134 1063402048 /nfs/dbraw/zinc/40/20/48/1063402048.db2.gz ZDZXXWNYFCAPRG-WOJBJXKFSA-N 1 0 458.607 2.763 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291213901 1063409403 /nfs/dbraw/zinc/40/94/03/1063409403.db2.gz MUZBCDVUSPFIIT-RBUKOAKNSA-N 1 0 490.674 2.683 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291213900 1063409488 /nfs/dbraw/zinc/40/94/88/1063409488.db2.gz MUZBCDVUSPFIIT-OALUTQOASA-N 1 0 490.674 2.683 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001291214458 1063415504 /nfs/dbraw/zinc/41/55/04/1063415504.db2.gz XEFXOTGLGWVWBV-IXFSTUDKSA-N 1 0 492.715 2.725 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)S1 ZINC001291215130 1063422036 /nfs/dbraw/zinc/42/20/36/1063422036.db2.gz KBHCWSREVZMBBT-ROUUACIJSA-N 1 0 493.699 2.790 20 0 JFADRO CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001295426835 1063439722 /nfs/dbraw/zinc/43/97/22/1063439722.db2.gz FMVBYCZTJVKUEQ-LJQANCHMSA-N 1 0 477.679 2.750 20 0 JFADRO COc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001295441383 1063446656 /nfs/dbraw/zinc/44/66/56/1063446656.db2.gz RCRFKFSWJNFFAZ-JOCHJYFZSA-N 1 0 450.583 2.690 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001291219824 1063448367 /nfs/dbraw/zinc/44/83/67/1063448367.db2.gz RZEJTUMSIJMQES-YWZLYKJASA-N 1 0 472.943 2.738 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(F)ccc2F)CC1 ZINC001295462161 1063461766 /nfs/dbraw/zinc/46/17/66/1063461766.db2.gz AFFLENYDZRFYPA-HNNXBMFYSA-N 1 0 470.590 2.525 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2-n2ccnc2)CC1 ZINC001295462648 1063462666 /nfs/dbraw/zinc/46/26/66/1063462666.db2.gz FFMPWIBZNOVPDW-UHFFFAOYSA-N 1 0 464.618 2.961 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001295463706 1063464806 /nfs/dbraw/zinc/46/48/06/1063464806.db2.gz QBCYOHHTPDAIPA-UHFFFAOYSA-N 1 0 490.612 2.644 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001295464009 1063465869 /nfs/dbraw/zinc/46/58/69/1063465869.db2.gz XJEXRLPOPSRWHB-XZOQPEGZSA-N 1 0 484.645 2.998 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)COC)CC1 ZINC001295464160 1063465894 /nfs/dbraw/zinc/46/58/94/1063465894.db2.gz BLWGYGGUZHFQNJ-GOSISDBHSA-N 1 0 453.595 2.514 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001295464464 1063467538 /nfs/dbraw/zinc/46/75/38/1063467538.db2.gz HDAFGJJIWSXSLA-GOSISDBHSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccn(C)n2)CC1 ZINC001295466093 1063470993 /nfs/dbraw/zinc/47/09/93/1063470993.db2.gz RWHQCXSPMQGECS-UHFFFAOYSA-N 1 0 485.658 2.635 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC(=O)N1C ZINC001291228376 1063478357 /nfs/dbraw/zinc/47/83/57/1063478357.db2.gz QVASMMRCHZBFOJ-OXQOHEQNSA-N 1 0 453.978 2.963 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001295473403 1063478484 /nfs/dbraw/zinc/47/84/84/1063478484.db2.gz YMPHBYZWNKYAOC-HXUWFJFHSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229787 1063482233 /nfs/dbraw/zinc/48/22/33/1063482233.db2.gz OFOIDIPLYNREMO-SJLPKXTDSA-N 1 0 467.540 2.522 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001295474739 1063482277 /nfs/dbraw/zinc/48/22/77/1063482277.db2.gz GKCRLGOWBXCCQP-XMMPIXPASA-N 1 0 486.709 2.807 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)CC1 ZINC001295474973 1063483945 /nfs/dbraw/zinc/48/39/45/1063483945.db2.gz KTUUTRNKVZKABL-UHFFFAOYSA-N 1 0 458.582 2.907 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CC[N@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001291230755 1063484938 /nfs/dbraw/zinc/48/49/38/1063484938.db2.gz IHQVSUBUEACIEZ-LJQANCHMSA-N 1 0 455.607 2.991 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(C)c2)CC1 ZINC001295475571 1063485841 /nfs/dbraw/zinc/48/58/41/1063485841.db2.gz ZLWSWIGJHGYGNX-UHFFFAOYSA-N 1 0 453.591 2.958 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)S1 ZINC001291231323 1063485949 /nfs/dbraw/zinc/48/59/49/1063485949.db2.gz RQDRBBZZCWWTLV-WSTZPKSXSA-N 1 0 459.664 2.557 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC001295479637 1063488398 /nfs/dbraw/zinc/48/83/98/1063488398.db2.gz HHQIPMPCAPRWTM-LJQANCHMSA-N 1 0 497.635 2.622 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001295480397 1063490418 /nfs/dbraw/zinc/49/04/18/1063490418.db2.gz LYDMHLFUBCZXRH-REWPJTCUSA-N 1 0 471.650 2.822 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2C[C@@H]2C)CC1 ZINC001295480368 1063490446 /nfs/dbraw/zinc/49/04/46/1063490446.db2.gz LKPCJVYZJKNAPZ-DLBZAZTESA-N 1 0 492.466 2.693 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291232748 1063492054 /nfs/dbraw/zinc/49/20/54/1063492054.db2.gz SCDVWGVTAZVANX-MJGOQNOKSA-N 1 0 473.647 2.738 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001291233360 1063495062 /nfs/dbraw/zinc/49/50/62/1063495062.db2.gz BLTSNOWNQCBPSR-RDJZCZTQSA-N 1 0 456.513 2.665 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC=CO2)CC1 ZINC001295482373 1063500943 /nfs/dbraw/zinc/50/09/43/1063500943.db2.gz LWTUFBMDDPMKAS-JOCHJYFZSA-N 1 0 468.602 2.637 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)s2)CC1 ZINC001295482451 1063501527 /nfs/dbraw/zinc/50/15/27/1063501527.db2.gz OSAVDFZNNGMEBD-UHFFFAOYSA-N 1 0 453.616 2.749 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001291237995 1063504646 /nfs/dbraw/zinc/50/46/46/1063504646.db2.gz HUYDUMPSQBOAQI-INIZCTEOSA-N 1 0 452.529 2.540 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2SC)CC1 ZINC001295483060 1063506255 /nfs/dbraw/zinc/50/62/55/1063506255.db2.gz BHHZKNIFOLQAGB-UHFFFAOYSA-N 1 0 498.632 2.635 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccnc(SC)c2)CC1 ZINC001295483069 1063506410 /nfs/dbraw/zinc/50/64/10/1063506410.db2.gz BLIDHOOFMMNFCJ-UHFFFAOYSA-N 1 0 494.669 2.804 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295483035 1063506531 /nfs/dbraw/zinc/50/65/31/1063506531.db2.gz AXDNZLREUOACGA-OALUTQOASA-N 1 0 468.593 2.598 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295483779 1063508270 /nfs/dbraw/zinc/50/82/70/1063508270.db2.gz HJECACIACFLCSZ-YIXXDRMTSA-N 1 0 498.672 2.808 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC2(OC)CCCCC2)CC1 ZINC001295484310 1063509980 /nfs/dbraw/zinc/50/99/80/1063509980.db2.gz LWTAGXLDKCLKSM-UHFFFAOYSA-N 1 0 483.661 2.988 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001295484347 1063510539 /nfs/dbraw/zinc/51/05/39/1063510539.db2.gz MWXLZERLYVKOQP-QZNHQXDQSA-N 1 0 490.693 2.614 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)C1 ZINC001291241028 1063511356 /nfs/dbraw/zinc/51/13/56/1063511356.db2.gz JBNWLIQKFJXFGT-QZWWFDLISA-N 1 0 458.529 2.506 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001295484746 1063513045 /nfs/dbraw/zinc/51/30/45/1063513045.db2.gz RAAQKNUQWRLTFX-CYFREDJKSA-N 1 0 457.623 2.611 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCOc2ccccc2Cl)CC1 ZINC001295485519 1063514553 /nfs/dbraw/zinc/51/45/53/1063514553.db2.gz XOWNWTQUWFVXOD-UHFFFAOYSA-N 1 0 486.020 2.996 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001295486219 1063515028 /nfs/dbraw/zinc/51/50/28/1063515028.db2.gz IDVPBEIQAWOFLQ-UHFFFAOYSA-N 1 0 483.567 3.000 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCCO2)CC1 ZINC001295490634 1063517008 /nfs/dbraw/zinc/51/70/08/1063517008.db2.gz BQYCLLGZSJKTJE-JOCHJYFZSA-N 1 0 484.645 2.643 20 0 JFADRO C[C@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCSCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291244769 1063517776 /nfs/dbraw/zinc/51/77/76/1063517776.db2.gz RUNCKTKGRJHLHP-FUHWJXTLSA-N 1 0 450.653 2.944 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(F)c2F)CC1 ZINC001295490714 1063518455 /nfs/dbraw/zinc/51/84/55/1063518455.db2.gz FXNKBORHJHUUEC-UHFFFAOYSA-N 1 0 497.594 2.775 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC=CO2)CC1 ZINC001295491336 1063522309 /nfs/dbraw/zinc/52/23/09/1063522309.db2.gz SMSVWDLVKQUZTA-HXUWFJFHSA-N 1 0 486.592 2.679 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC(C)(C)C)CC1 ZINC001295491573 1063523184 /nfs/dbraw/zinc/52/31/84/1063523184.db2.gz UWWUAXPYQYNUDZ-UHFFFAOYSA-N 1 0 474.625 2.814 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[C@H]2CCCCO2)CC1 ZINC001295491861 1063524160 /nfs/dbraw/zinc/52/41/60/1063524160.db2.gz XSCNPYRKXSNTOV-JOCHJYFZSA-N 1 0 460.667 2.960 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CSCCS2)CC1 ZINC001295491846 1063524260 /nfs/dbraw/zinc/52/42/60/1063524260.db2.gz XCLPKHAOFQEISM-SFHVURJKSA-N 1 0 468.737 2.706 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2C[C@H]2C)CC1 ZINC001295491884 1063524959 /nfs/dbraw/zinc/52/49/59/1063524959.db2.gz YMCBDBMMXICVLD-NHCUHLMSSA-N 1 0 454.619 2.812 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CC(N)=O)C2)c1 ZINC001295492413 1063525917 /nfs/dbraw/zinc/52/59/17/1063525917.db2.gz ASZAQNIMAODGOX-OAQYLSRUSA-N 1 0 464.618 2.661 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249342 1063526044 /nfs/dbraw/zinc/52/60/44/1063526044.db2.gz CXDRPMCFOIVWAV-ACRUOGEOSA-N 1 0 460.667 2.987 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 ZINC001295492944 1063526287 /nfs/dbraw/zinc/52/62/87/1063526287.db2.gz DXSHRXWAQOMDQB-HSZRJFAPSA-N 1 0 479.629 2.515 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC001295492476 1063526424 /nfs/dbraw/zinc/52/64/24/1063526424.db2.gz BUTBLKDWYYQUSJ-UHFFFAOYSA-N 1 0 474.675 2.906 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)c1 ZINC001295493379 1063527333 /nfs/dbraw/zinc/52/73/33/1063527333.db2.gz OHRTXXZWBPYICU-UHFFFAOYSA-N 1 0 483.661 2.866 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](n3cncn3)C2)c1 ZINC001295493375 1063527387 /nfs/dbraw/zinc/52/73/87/1063527387.db2.gz OGOFOHDCGFQBLP-JOCHJYFZSA-N 1 0 479.633 2.739 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)cc1 ZINC001295493312 1063527447 /nfs/dbraw/zinc/52/74/47/1063527447.db2.gz HPNBUHMVAIQXDL-UHFFFAOYSA-N 1 0 495.672 2.755 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)c1 ZINC001295493344 1063527465 /nfs/dbraw/zinc/52/74/65/1063527465.db2.gz NXZGTBXJSGYSNQ-OAQYLSRUSA-N 1 0 464.618 2.531 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@H]32)c1 ZINC001295493635 1063527738 /nfs/dbraw/zinc/52/77/38/1063527738.db2.gz TYMLMTWTORRPOL-IOMROCGXSA-N 1 0 460.648 2.767 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](NC(C)=O)C2)c1 ZINC001295493515 1063527832 /nfs/dbraw/zinc/52/78/32/1063527832.db2.gz QUMVJOSNFWPHLS-HSZRJFAPSA-N 1 0 481.645 2.509 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@H]32)c1 ZINC001295493634 1063527887 /nfs/dbraw/zinc/52/78/87/1063527887.db2.gz TYMLMTWTORRPOL-DZFGPLHGSA-N 1 0 460.648 2.767 20 0 JFADRO C[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC[NH+](C)C)CCCO1 ZINC001291249896 1063528003 /nfs/dbraw/zinc/52/80/03/1063528003.db2.gz LAVIAJMZPULZAT-LJQANCHMSA-N 1 0 480.654 2.586 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 ZINC001295494232 1063528898 /nfs/dbraw/zinc/52/88/98/1063528898.db2.gz MMQFSMJUFLWXLZ-FGZHOGPDSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCOC2)cc1 ZINC001295494295 1063529273 /nfs/dbraw/zinc/52/92/73/1063529273.db2.gz NDOSNIHSXBURRL-VXKWHMMOSA-N 1 0 475.659 2.543 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCOC2)cc1 ZINC001295494297 1063529383 /nfs/dbraw/zinc/52/93/83/1063529383.db2.gz NDOSNIHSXBURRL-YADHBBJMSA-N 1 0 475.659 2.543 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2nncn2C)cc1 ZINC001295495188 1063531479 /nfs/dbraw/zinc/53/14/79/1063531479.db2.gz ZRAQUXDSPOZNHC-NRFANRHFSA-N 1 0 479.633 2.776 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC)CC2)c1 ZINC001295499995 1063533364 /nfs/dbraw/zinc/53/33/64/1063533364.db2.gz IUPQBVCIEQIOBB-JOCHJYFZSA-N 1 0 470.618 2.951 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C(=O)NC)C2)c1 ZINC001295501319 1063536015 /nfs/dbraw/zinc/53/60/15/1063536015.db2.gz XPCJMVKYXZTCSI-NRFANRHFSA-N 1 0 456.635 2.708 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C(=O)NC)C2)c1 ZINC001295501320 1063536029 /nfs/dbraw/zinc/53/60/29/1063536029.db2.gz XPCJMVKYXZTCSI-OAQYLSRUSA-N 1 0 456.635 2.708 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001295502627 1063537010 /nfs/dbraw/zinc/53/70/10/1063537010.db2.gz FYNFLCMXBQGYMG-IBGZPJMESA-N 1 0 462.664 2.868 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001295504106 1063540089 /nfs/dbraw/zinc/54/00/89/1063540089.db2.gz QYCITEDHRJKLSE-ISKFKSNPSA-N 1 0 492.624 2.899 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001295504574 1063540530 /nfs/dbraw/zinc/54/05/30/1063540530.db2.gz UUAJOUYYLJOAPX-NRFANRHFSA-N 1 0 493.660 2.998 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nnn(C)n2)C1 ZINC001295505377 1063541304 /nfs/dbraw/zinc/54/13/04/1063541304.db2.gz CYCSBMMZJGVFOW-SFHVURJKSA-N 1 0 451.623 2.983 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001295509233 1063544198 /nfs/dbraw/zinc/54/41/98/1063544198.db2.gz TUDFLVMRLZLSAY-QFQXNSOFSA-N 1 0 486.661 2.542 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nccnc2C)C1 ZINC001295509341 1063544238 /nfs/dbraw/zinc/54/42/38/1063544238.db2.gz VADGNSOHBORXTG-FQEVSTJZSA-N 1 0 497.669 2.858 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2nncn2C)C1 ZINC001295510239 1063545260 /nfs/dbraw/zinc/54/52/60/1063545260.db2.gz XKEUISOSDRACDQ-MRXNPFEDSA-N 1 0 460.533 2.891 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001295511307 1063545885 /nfs/dbraw/zinc/54/58/85/1063545885.db2.gz FNYUOYYTVCATMD-FQEVSTJZSA-N 1 0 468.627 2.982 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001295511810 1063546883 /nfs/dbraw/zinc/54/68/83/1063546883.db2.gz NQHLJULBHUYXQA-SFHVURJKSA-N 1 0 496.077 2.706 20 0 JFADRO C[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291256220 1063547205 /nfs/dbraw/zinc/54/72/05/1063547205.db2.gz RJWUNNDHXNAUSI-NLWGTHIKSA-N 1 0 478.638 2.684 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@@H]2C)C1 ZINC001295516029 1063550490 /nfs/dbraw/zinc/55/04/90/1063550490.db2.gz DZNXBCARLSDMBQ-KJJMTIBFSA-N 1 0 481.707 2.944 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001295516075 1063550855 /nfs/dbraw/zinc/55/08/55/1063550855.db2.gz ILEUXFFZWLLHBX-SLFFLAALSA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001295516189 1063551411 /nfs/dbraw/zinc/55/14/11/1063551411.db2.gz GDGXBHPZCBIXOG-LEWJYISDSA-N 1 0 490.674 2.579 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 ZINC001295516199 1063551506 /nfs/dbraw/zinc/55/15/06/1063551506.db2.gz GKASZWDMMQOLFE-RTWAWAEBSA-N 1 0 475.659 2.736 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001295516598 1063553518 /nfs/dbraw/zinc/55/35/18/1063553518.db2.gz JDBFNSPTXAOIDT-GMAHTHKFSA-N 1 0 468.646 2.895 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001295517106 1063553572 /nfs/dbraw/zinc/55/35/72/1063553572.db2.gz LNWSZRPGBUZNKC-GBESFXJTSA-N 1 0 463.573 2.855 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 ZINC001295518616 1063555353 /nfs/dbraw/zinc/55/53/53/1063555353.db2.gz OWYHFJMABCONKN-HXUWFJFHSA-N 1 0 475.037 2.549 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001295518667 1063555853 /nfs/dbraw/zinc/55/58/53/1063555853.db2.gz QNWPJGDRQTWAQO-XYJFISCASA-N 1 0 461.636 2.610 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(C)c2)C1 ZINC001295520722 1063556334 /nfs/dbraw/zinc/55/63/34/1063556334.db2.gz UMOAECKWFLKPHD-HXUWFJFHSA-N 1 0 464.618 2.585 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291261333 1063556705 /nfs/dbraw/zinc/55/67/05/1063556705.db2.gz ZDEVFYWIZUSMFJ-RDTXWAMCSA-N 1 0 477.478 2.881 20 0 JFADRO CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC001295520831 1063557562 /nfs/dbraw/zinc/55/75/62/1063557562.db2.gz VWFKYPWTLGCTFU-RBUKOAKNSA-N 1 0 477.654 2.654 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 ZINC001295522698 1063559700 /nfs/dbraw/zinc/55/97/00/1063559700.db2.gz MIHIVZGBJSZPLU-MRXNPFEDSA-N 1 0 476.054 2.964 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001295523873 1063561255 /nfs/dbraw/zinc/56/12/55/1063561255.db2.gz AWSJMWMKSXXAEG-HXUWFJFHSA-N 1 0 455.607 2.910 20 0 JFADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295524261 1063561715 /nfs/dbraw/zinc/56/17/15/1063561715.db2.gz GMQXKISMOQFBHD-MRXNPFEDSA-N 1 0 487.468 2.781 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(Br)c2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001295524397 1063562163 /nfs/dbraw/zinc/56/21/63/1063562163.db2.gz JTJHPIIRJOHRFL-UHFFFAOYSA-N 1 0 493.450 2.735 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(c2ncccn2)CC1 ZINC001295525352 1063563439 /nfs/dbraw/zinc/56/34/39/1063563439.db2.gz VPTKRPDYPGARLZ-UHFFFAOYSA-N 1 0 491.644 2.996 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295525468 1063564135 /nfs/dbraw/zinc/56/41/35/1063564135.db2.gz XIBYJPCUZBMEJE-QUCCMNQESA-N 1 0 473.597 2.845 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001295525707 1063564222 /nfs/dbraw/zinc/56/42/22/1063564222.db2.gz ZJHFPEXNKINEBJ-UHFFFAOYSA-N 1 0 465.606 2.775 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001295529217 1063566794 /nfs/dbraw/zinc/56/67/94/1063566794.db2.gz CXFRLQAYZFDPEM-LJQANCHMSA-N 1 0 465.606 2.517 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001295531189 1063568327 /nfs/dbraw/zinc/56/83/27/1063568327.db2.gz SCEHHECVXJWZRO-LJQANCHMSA-N 1 0 478.638 2.820 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001295531665 1063568775 /nfs/dbraw/zinc/56/87/75/1063568775.db2.gz YAJUHHAKKDAVST-NRFANRHFSA-N 1 0 458.582 2.644 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001295532558 1063569292 /nfs/dbraw/zinc/56/92/92/1063569292.db2.gz HREVRRMKTGTOLJ-UHFFFAOYSA-N 1 0 457.608 2.712 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001295532410 1063569328 /nfs/dbraw/zinc/56/93/28/1063569328.db2.gz GNJAUWYIGVBEID-LJQANCHMSA-N 1 0 467.574 2.538 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001295533471 1063570544 /nfs/dbraw/zinc/57/05/44/1063570544.db2.gz VMEXFXRPGDDPHH-UHFFFAOYSA-N 1 0 499.685 2.835 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001295535479 1063572409 /nfs/dbraw/zinc/57/24/09/1063572409.db2.gz WAQMFHJFPKOEEV-JOCHJYFZSA-N 1 0 453.635 2.592 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295535758 1063572922 /nfs/dbraw/zinc/57/29/22/1063572922.db2.gz ZBFXQESSDUREKP-SZPZYZBQSA-N 1 0 473.710 2.904 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001295539149 1063574634 /nfs/dbraw/zinc/57/46/34/1063574634.db2.gz LAHFAALHRVMTOU-UHFFFAOYSA-N 1 0 474.675 2.934 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001295539784 1063574683 /nfs/dbraw/zinc/57/46/83/1063574683.db2.gz RGUVHGKRHCJNKI-AXHZCLLHSA-N 1 0 490.674 2.774 20 0 JFADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001295540242 1063575125 /nfs/dbraw/zinc/57/51/25/1063575125.db2.gz WRWGIJUGTXBXTR-LJQANCHMSA-N 1 0 470.588 2.944 20 0 JFADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001295541274 1063576107 /nfs/dbraw/zinc/57/61/07/1063576107.db2.gz IOUPRNOOXOWOQL-IFMALSPDSA-N 1 0 461.699 2.587 20 0 JFADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295541277 1063576269 /nfs/dbraw/zinc/57/62/69/1063576269.db2.gz IOUPRNOOXOWOQL-UNMCSNQZSA-N 1 0 461.699 2.587 20 0 JFADRO C[C@@H]1CN(c2nnc(CC3CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291270577 1063576262 /nfs/dbraw/zinc/57/62/62/1063576262.db2.gz KOTGQFHKPNKBQJ-IEBWSBKVSA-N 1 0 458.573 2.540 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(=O)NC)CC1 ZINC001295542485 1063577016 /nfs/dbraw/zinc/57/70/16/1063577016.db2.gz BHLJDINDBFWOGG-UHFFFAOYSA-N 1 0 494.644 2.622 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001295542395 1063577134 /nfs/dbraw/zinc/57/71/34/1063577134.db2.gz AAKGQLYADFTDRF-UHFFFAOYSA-N 1 0 459.545 2.878 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001295542124 1063577184 /nfs/dbraw/zinc/57/71/84/1063577184.db2.gz QSHWXUMTHJZBCJ-HXUWFJFHSA-N 1 0 450.628 2.819 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001295543085 1063578102 /nfs/dbraw/zinc/57/81/02/1063578102.db2.gz WLYVJEMCOGANON-QGZVFWFLSA-N 1 0 455.575 2.827 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001295544070 1063578949 /nfs/dbraw/zinc/57/89/49/1063578949.db2.gz LRBCNVIYNBOGKW-HXUWFJFHSA-N 1 0 499.534 2.842 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001295544223 1063579470 /nfs/dbraw/zinc/57/94/70/1063579470.db2.gz NGQFDADIHNCDHF-QHCPKHFHSA-N 1 0 461.010 2.959 20 0 JFADRO C[C@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOCC(F)F)CCCO1 ZINC001291274528 1063579948 /nfs/dbraw/zinc/57/99/48/1063579948.db2.gz BVFQQVDBEYVSHM-FQEVSTJZSA-N 1 0 478.588 2.540 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001295545308 1063580387 /nfs/dbraw/zinc/58/03/87/1063580387.db2.gz RIEMSAIZOLQZTB-GBESFXJTSA-N 1 0 478.638 2.780 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001295545886 1063580787 /nfs/dbraw/zinc/58/07/87/1063580787.db2.gz VIXYMYHKZBUBCB-OALUTQOASA-N 1 0 477.654 2.749 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001295546356 1063581739 /nfs/dbraw/zinc/58/17/39/1063581739.db2.gz ZSOSTQCUZDAUND-IBGZPJMESA-N 1 0 453.591 2.825 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291275577 1063583752 /nfs/dbraw/zinc/58/37/52/1063583752.db2.gz VESMDYSMDWNDHM-IRXDYDNUSA-N 1 0 472.556 2.821 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001295551267 1063584237 /nfs/dbraw/zinc/58/42/37/1063584237.db2.gz RSTRXWMYPBPUOS-HXUWFJFHSA-N 1 0 481.645 2.984 20 0 JFADRO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001291275767 1063584570 /nfs/dbraw/zinc/58/45/70/1063584570.db2.gz YVOGMUOZLLWWMZ-JTHBVZDNSA-N 1 0 468.646 2.621 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001295551722 1063584757 /nfs/dbraw/zinc/58/47/57/1063584757.db2.gz VBKHJNGGHBCJRH-AOIWGVFYSA-N 1 0 466.627 2.752 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC001291276206 1063585294 /nfs/dbraw/zinc/58/52/94/1063585294.db2.gz ICWUDTLMBXEXLN-KDURUIRLSA-N 1 0 472.659 2.719 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001295552233 1063585628 /nfs/dbraw/zinc/58/56/28/1063585628.db2.gz ZMVMIYNPXOVTLQ-AZUAARDMSA-N 1 0 493.649 2.801 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001295552236 1063585643 /nfs/dbraw/zinc/58/56/43/1063585643.db2.gz ZMVMIYNPXOVTLQ-UYAOXDASSA-N 1 0 493.649 2.801 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295553130 1063585993 /nfs/dbraw/zinc/58/59/93/1063585993.db2.gz FXQVZOWETPJBJV-IEBWSBKVSA-N 1 0 474.675 2.957 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001295553101 1063586098 /nfs/dbraw/zinc/58/60/98/1063586098.db2.gz FJUBJZIRRUAXTP-OLMNPRSZSA-N 1 0 450.381 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001295553983 1063587425 /nfs/dbraw/zinc/58/74/25/1063587425.db2.gz OSUVMIHAUINAPM-NVXWUHKLSA-N 1 0 496.534 2.909 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295553963 1063587452 /nfs/dbraw/zinc/58/74/52/1063587452.db2.gz NYYBXCSSFQWSOU-HOYKHHGWSA-N 1 0 491.658 2.708 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001295553984 1063587557 /nfs/dbraw/zinc/58/75/57/1063587557.db2.gz OSUVMIHAUINAPM-WBVHZDCISA-N 1 0 496.534 2.909 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291276804 1063587948 /nfs/dbraw/zinc/58/79/48/1063587948.db2.gz RZKCUZSMNSFVRD-MNEFBYGVSA-N 1 0 498.525 2.999 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276865 1063587984 /nfs/dbraw/zinc/58/79/84/1063587984.db2.gz TWQBXCMQHKOWDV-HKUYNNGSSA-N 1 0 480.535 2.689 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccccc2)C[C@@H](C(F)(F)F)O1 ZINC001291276867 1063588461 /nfs/dbraw/zinc/58/84/61/1063588461.db2.gz TWQBXCMQHKOWDV-MJGOQNOKSA-N 1 0 480.535 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001295554477 1063588811 /nfs/dbraw/zinc/58/88/11/1063588811.db2.gz CHIJQDLPFBEKJK-GDBMZVCRSA-N 1 0 494.413 2.791 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291277052 1063589547 /nfs/dbraw/zinc/58/95/47/1063589547.db2.gz WXXXRUHCDZTFJD-IBGZPJMESA-N 1 0 489.665 2.721 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001295555351 1063590415 /nfs/dbraw/zinc/59/04/15/1063590415.db2.gz ZZSAEAPMJLIFAB-QGZVFWFLSA-N 1 0 457.604 2.505 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001291277477 1063590591 /nfs/dbraw/zinc/59/05/91/1063590591.db2.gz DUCCALFXFFIUTJ-AOMKIAJQSA-N 1 0 494.434 2.690 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001291277479 1063590617 /nfs/dbraw/zinc/59/06/17/1063590617.db2.gz DUCCALFXFFIUTJ-OPAMFIHVSA-N 1 0 494.434 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001295558980 1063590828 /nfs/dbraw/zinc/59/08/28/1063590828.db2.gz BJFWTFWTQFVJKJ-AOIWGVFYSA-N 1 0 459.570 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001295559404 1063591829 /nfs/dbraw/zinc/59/18/29/1063591829.db2.gz GRURBBDJCBSUHM-MJGOQNOKSA-N 1 0 477.654 2.701 20 0 JFADRO CCn1nc(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001295559394 1063591899 /nfs/dbraw/zinc/59/18/99/1063591899.db2.gz GMRKRZTXIJJHHR-QZTJIDSGSA-N 1 0 453.591 2.630 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001295560079 1063593074 /nfs/dbraw/zinc/59/30/74/1063593074.db2.gz PKMUDELYJZSAAU-KZNAEPCWSA-N 1 0 458.611 2.850 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001295561235 1063594994 /nfs/dbraw/zinc/59/49/94/1063594994.db2.gz SMBCTSYLZJFQSJ-QZTJIDSGSA-N 1 0 473.647 2.859 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 ZINC001295562765 1063595906 /nfs/dbraw/zinc/59/59/06/1063595906.db2.gz FGWPZKKAVNUTIH-UXHICEINSA-N 1 0 490.653 2.650 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001295564248 1063597340 /nfs/dbraw/zinc/59/73/40/1063597340.db2.gz SIVOQGMTNYGUEY-HGHGUNKESA-N 1 0 497.612 2.767 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001295565625 1063598913 /nfs/dbraw/zinc/59/89/13/1063598913.db2.gz MDMGXOHMRZUPFU-MOPGFXCFSA-N 1 0 458.582 2.895 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC001291280279 1063602463 /nfs/dbraw/zinc/60/24/63/1063602463.db2.gz CWTFIKJRUNIOCV-MHECFPHRSA-N 1 0 461.582 2.968 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001291280295 1063602557 /nfs/dbraw/zinc/60/25/57/1063602557.db2.gz DCYHWJPPUJACEU-AZUAARDMSA-N 1 0 464.010 2.973 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291281199 1063607062 /nfs/dbraw/zinc/60/70/62/1063607062.db2.gz RZBZZQBYSCLJAV-OALUTQOASA-N 1 0 461.582 2.845 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001295572084 1063609108 /nfs/dbraw/zinc/60/91/08/1063609108.db2.gz FNIRPFOMGSWMMK-RLLQIKCJSA-N 1 0 491.681 2.742 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCC(C)CC1 ZINC001295574634 1063613246 /nfs/dbraw/zinc/61/32/46/1063613246.db2.gz HJZGDFXVYDCFNA-QGZVFWFLSA-N 1 0 484.617 2.925 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001295578658 1063618906 /nfs/dbraw/zinc/61/89/06/1063618906.db2.gz NUTLXCBCTCEQLE-IBGZPJMESA-N 1 0 481.645 2.725 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnccn2)n1CC[N@H+](C)C(C)C ZINC001295582723 1063625898 /nfs/dbraw/zinc/62/58/98/1063625898.db2.gz CSRAONPDFWDFRI-UHFFFAOYSA-N 1 0 450.591 2.804 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001291285786 1063627668 /nfs/dbraw/zinc/62/76/68/1063627668.db2.gz XRLKSJJOVCUHAK-HSALFYBXSA-N 1 0 492.665 2.714 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001291286100 1063630008 /nfs/dbraw/zinc/63/00/08/1063630008.db2.gz CJJXHCKMMGWDIK-UWHLTILDSA-N 1 0 492.665 2.511 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287457 1063639637 /nfs/dbraw/zinc/63/96/37/1063639637.db2.gz BVSUHHVXYKZYQR-AABGKKOBSA-N 1 0 488.608 2.760 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCCC(=O)N(C)C ZINC001291287472 1063639701 /nfs/dbraw/zinc/63/97/01/1063639701.db2.gz CECIRDXRDKXAEQ-NRFANRHFSA-N 1 0 461.614 2.843 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(C)(C)C)C2)CCCO1 ZINC001291287710 1063642324 /nfs/dbraw/zinc/64/23/24/1063642324.db2.gz GOUIJUYPANJXHD-PMACEKPBSA-N 1 0 485.633 2.678 20 0 JFADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288060 1063646003 /nfs/dbraw/zinc/64/60/03/1063646003.db2.gz MRVALXSLHOPZQB-AQNXPRMDSA-N 1 0 488.608 2.760 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccs2)C[C@H](C)O1 ZINC001291288073 1063646026 /nfs/dbraw/zinc/64/60/26/1063646026.db2.gz MUYSWLBCOJCFIF-OALUTQOASA-N 1 0 460.648 2.754 20 0 JFADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288061 1063646061 /nfs/dbraw/zinc/64/60/61/1063646061.db2.gz MRVALXSLHOPZQB-UFYCRDLUSA-N 1 0 488.608 2.760 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccoc2)C[C@@H](C)O1 ZINC001291288442 1063649543 /nfs/dbraw/zinc/64/95/43/1063649543.db2.gz SIZHFHXIRPMSRR-QZTJIDSGSA-N 1 0 453.547 2.654 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCc3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288552 1063650221 /nfs/dbraw/zinc/65/02/21/1063650221.db2.gz UNAVLOOACLVKFE-IWQHBPENSA-N 1 0 490.674 2.511 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291289205 1063655686 /nfs/dbraw/zinc/65/56/86/1063655686.db2.gz GEQSHJGCWYELQB-ROUUACIJSA-N 1 0 458.582 2.675 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@@H](C)O1 ZINC001291289436 1063656241 /nfs/dbraw/zinc/65/62/41/1063656241.db2.gz JRSMZKXZPUICNB-RTBURBONSA-N 1 0 463.586 2.575 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291289624 1063657942 /nfs/dbraw/zinc/65/79/42/1063657942.db2.gz MZMVRDCDWWXPDJ-BGYRXZFFSA-N 1 0 469.634 2.580 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291290040 1063661582 /nfs/dbraw/zinc/66/15/82/1063661582.db2.gz UHMBGWRCNLDLHD-QGZVFWFLSA-N 1 0 456.982 2.921 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CCC(N)=O)CC2)CCCO1 ZINC001291290116 1063663152 /nfs/dbraw/zinc/66/31/52/1063663152.db2.gz VFILUZNGSLXWFG-SFHVURJKSA-N 1 0 490.052 2.976 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(CCC(F)(F)F)CC2CC2)C[C@@H](C)O1 ZINC001291291049 1063665491 /nfs/dbraw/zinc/66/54/91/1063665491.db2.gz JHWBKNNCFSPCRU-JFIYKMOQSA-N 1 0 472.556 2.897 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001291290843 1063665564 /nfs/dbraw/zinc/66/55/64/1063665564.db2.gz GSOOVTAMQHRHPV-WSTZPKSXSA-N 1 0 462.639 2.512 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291291175 1063667573 /nfs/dbraw/zinc/66/75/73/1063667573.db2.gz LFUSKYUVAZTMNH-QSUVIHHLSA-N 1 0 492.665 2.631 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291291291 1063668524 /nfs/dbraw/zinc/66/85/24/1063668524.db2.gz MULDXGANHFDGOR-XRXFAXGQSA-N 1 0 492.665 2.775 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291398 1063670341 /nfs/dbraw/zinc/67/03/41/1063670341.db2.gz OKLQZKCVBMLKMC-GBESFXJTSA-N 1 0 481.601 2.800 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2Cl)C[C@H](C)O1 ZINC001291291897 1063672453 /nfs/dbraw/zinc/67/24/53/1063672453.db2.gz VXOINQBIMVOGRB-NSHGMRRFSA-N 1 0 491.036 2.897 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cscn2)C[C@H](C)O1 ZINC001291292619 1063677715 /nfs/dbraw/zinc/67/77/15/1063677715.db2.gz HALNRDGARPBRQP-IRXDYDNUSA-N 1 0 489.671 2.862 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CCC(CO)CC2)C[C@H](C)O1 ZINC001291293017 1063680785 /nfs/dbraw/zinc/68/07/85/1063680785.db2.gz NLMIWUXZNNVGMW-SFTDATJTSA-N 1 0 457.619 2.608 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3ccsc3)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 ZINC001291292996 1063680818 /nfs/dbraw/zinc/68/08/18/1063680818.db2.gz MRHCQCITMYTENW-QZTJIDSGSA-N 1 0 460.648 2.522 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(CCc3ccccc3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291293172 1063682822 /nfs/dbraw/zinc/68/28/22/1063682822.db2.gz QAEDBKMJCQMYRR-NRFANRHFSA-N 1 0 476.616 2.951 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CCCO1 ZINC001291293208 1063683745 /nfs/dbraw/zinc/68/37/45/1063683745.db2.gz QRMWTOZOGYPBKC-MJGOQNOKSA-N 1 0 468.524 2.532 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001291293828 1063686267 /nfs/dbraw/zinc/68/62/67/1063686267.db2.gz AGUAZBSRVGSWIK-IAGOWNOFSA-N 1 0 479.050 2.659 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(COc3ccccc3F)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291294089 1063687862 /nfs/dbraw/zinc/68/78/62/1063687862.db2.gz DYLAMPFVMKCIBR-LJQANCHMSA-N 1 0 469.565 2.924 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001295646447 1063688250 /nfs/dbraw/zinc/68/82/50/1063688250.db2.gz KIJYGKYBRDUEPN-NRFANRHFSA-N 1 0 456.639 2.785 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O ZINC001291294111 1063688537 /nfs/dbraw/zinc/68/85/37/1063688537.db2.gz FGLAKMOJZDJLAN-WIYYLYMNSA-N 1 0 474.675 2.855 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294650 1063690425 /nfs/dbraw/zinc/69/04/25/1063690425.db2.gz NIYKWZREARBJFE-CZUORRHYSA-N 1 0 483.361 2.762 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291294884 1063692596 /nfs/dbraw/zinc/69/25/96/1063692596.db2.gz QVYNLCHAFMBKRL-KDURUIRLSA-N 1 0 496.578 2.883 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C)o2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295650893 1063693144 /nfs/dbraw/zinc/69/31/44/1063693144.db2.gz BTXVRMLFMKWVLJ-HXUWFJFHSA-N 1 0 468.606 2.549 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O ZINC001291295171 1063694382 /nfs/dbraw/zinc/69/43/82/1063694382.db2.gz VRDYDUUCDFUSCR-YJBOKZPZSA-N 1 0 482.448 2.815 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2cccnc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001295663016 1063705384 /nfs/dbraw/zinc/70/53/84/1063705384.db2.gz MEHMSEZDWYTVMA-FQEVSTJZSA-N 1 0 452.607 2.525 20 0 JFADRO C[C@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001291301854 1063710112 /nfs/dbraw/zinc/71/01/12/1063710112.db2.gz LXHVMMCDHZUNPD-FUHWJXTLSA-N 1 0 481.439 2.508 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[N@H+](C)C1CCCCC1 ZINC001291302036 1063711356 /nfs/dbraw/zinc/71/13/56/1063711356.db2.gz OWHBYGHMFFMYTB-LJQANCHMSA-N 1 0 490.674 2.685 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001295713672 1063731931 /nfs/dbraw/zinc/73/19/31/1063731931.db2.gz GZZCQMWPTLQBBY-XZOQPEGZSA-N 1 0 484.645 2.713 20 0 JFADRO C[C@@H]1CSCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(O)CC1 ZINC001291311122 1063741425 /nfs/dbraw/zinc/74/14/25/1063741425.db2.gz OWSYTAOEQQVGKT-CQSZACIVSA-N 1 0 469.453 2.824 20 0 JFADRO C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291314327 1063746443 /nfs/dbraw/zinc/74/64/43/1063746443.db2.gz ZAYLSJPZSSATPE-MJGOQNOKSA-N 1 0 462.689 2.815 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295748491 1063753571 /nfs/dbraw/zinc/75/35/71/1063753571.db2.gz KWWSBKJPEROJTL-WIYBCGNWSA-N 1 0 479.666 2.895 20 0 JFADRO C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1(C)C ZINC001291318162 1063754443 /nfs/dbraw/zinc/75/44/43/1063754443.db2.gz DFEQXKIZTNHNNW-IHPCNDPISA-N 1 0 467.680 2.694 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC(C)CC2)C1)CC(F)(F)F ZINC001295751184 1063758317 /nfs/dbraw/zinc/75/83/17/1063758317.db2.gz YIKJZJOJBBXNFK-FQEVSTJZSA-N 1 0 499.626 2.957 20 0 JFADRO C[C@@H]1OCC[C@]1(O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291323124 1063768851 /nfs/dbraw/zinc/76/88/51/1063768851.db2.gz GPGISABSJJKBRK-CPJSRVTESA-N 1 0 457.619 2.750 20 0 JFADRO C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291324805 1063772688 /nfs/dbraw/zinc/77/26/88/1063772688.db2.gz AMBSTVUTXRAUQA-MHECFPHRSA-N 1 0 461.582 2.847 20 0 JFADRO C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(Br)c3)n1CCOCC[NH+](C)C)CCO2 ZINC001291325184 1063774235 /nfs/dbraw/zinc/77/42/35/1063774235.db2.gz FVEKHHPREGQBQX-JTSKRJEESA-N 1 0 494.434 2.670 20 0 JFADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)[NH+](CC)CC ZINC001295768039 1063777383 /nfs/dbraw/zinc/77/73/83/1063777383.db2.gz VMBAKRNBQHMQML-VQTJNVASSA-N 1 0 470.618 2.911 20 0 JFADRO CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001295771021 1063780051 /nfs/dbraw/zinc/78/00/51/1063780051.db2.gz BZGFVWCNIVZDNA-UHFFFAOYSA-N 1 0 451.619 2.983 20 0 JFADRO C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291331381 1063786962 /nfs/dbraw/zinc/78/69/62/1063786962.db2.gz IKYPLZSVRCDTDF-SVFBPWRDSA-N 1 0 471.675 2.537 20 0 JFADRO CCN(CCC1CC1)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295791250 1063789688 /nfs/dbraw/zinc/78/96/88/1063789688.db2.gz LEKLEPNUZLTZCP-FQEVSTJZSA-N 1 0 451.413 2.739 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001291334535 1063792079 /nfs/dbraw/zinc/79/20/79/1063792079.db2.gz AEMBQEUFAFBOFO-NRFANRHFSA-N 1 0 496.660 2.933 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001291334645 1063792486 /nfs/dbraw/zinc/79/24/86/1063792486.db2.gz CBFAVWIJRWYZNQ-UNVFRBQDSA-N 1 0 496.660 2.931 20 0 JFADRO CCN(CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1)S(C)(=O)=O ZINC001295805318 1063794741 /nfs/dbraw/zinc/79/47/41/1063794741.db2.gz CNICAFZREHQRDC-HXUWFJFHSA-N 1 0 481.066 2.945 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001291335381 1063796324 /nfs/dbraw/zinc/79/63/24/1063796324.db2.gz PHHFKXWULHBEGB-IFMALSPDSA-N 1 0 481.645 2.984 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCCC2)C1 ZINC001291337489 1063804261 /nfs/dbraw/zinc/80/42/61/1063804261.db2.gz AGZLLRGLSMNIDQ-FQEVSTJZSA-N 1 0 470.618 2.943 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC[NH+](CC)CC)C1 ZINC001291339380 1063812458 /nfs/dbraw/zinc/81/24/58/1063812458.db2.gz MNZYFOOFNKYMOZ-LJQANCHMSA-N 1 0 456.591 2.901 20 0 JFADRO CCN(CCCn1c(Cc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1)S(C)(=O)=O ZINC001295814331 1063813715 /nfs/dbraw/zinc/81/37/15/1063813715.db2.gz KMINQUJOSKUZKF-UHFFFAOYSA-N 1 0 492.665 2.744 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295816021 1063820895 /nfs/dbraw/zinc/82/08/95/1063820895.db2.gz RGQHPVLOGIJEFO-MOPGFXCFSA-N 1 0 489.665 2.738 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001291341249 1063820915 /nfs/dbraw/zinc/82/09/15/1063820915.db2.gz ZYBNYKGRSIGGAV-SJLPKXTDSA-N 1 0 454.604 2.595 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295816026 1063821250 /nfs/dbraw/zinc/82/12/50/1063821250.db2.gz RGQHPVLOGIJEFO-OALUTQOASA-N 1 0 489.665 2.738 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001291341569 1063822508 /nfs/dbraw/zinc/82/25/08/1063822508.db2.gz FXKQAKYBEFFITM-RTWAWAEBSA-N 1 0 469.634 2.644 20 0 JFADRO CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2[nH]c3ccccc3c2CC1)C(C)C ZINC001295818693 1063822973 /nfs/dbraw/zinc/82/29/73/1063822973.db2.gz AFUUWUXWDSAJTL-GOSISDBHSA-N 1 0 487.674 2.705 20 0 JFADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1)C1CC1 ZINC001295820703 1063826048 /nfs/dbraw/zinc/82/60/48/1063826048.db2.gz HAYAEFOXMZIMSV-UHFFFAOYSA-N 1 0 470.618 2.523 20 0 JFADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1)CCC(F)(F)F ZINC001295820659 1063826103 /nfs/dbraw/zinc/82/61/03/1063826103.db2.gz GLKBOMUHEODTPB-SJORKVTESA-N 1 0 460.545 2.696 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001291342659 1063826350 /nfs/dbraw/zinc/82/63/50/1063826350.db2.gz XUSCKUPWPTUETA-VSKRKVRLSA-N 1 0 481.645 2.590 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001291342657 1063826434 /nfs/dbraw/zinc/82/64/34/1063826434.db2.gz XUSCKUPWPTUETA-BHIFYINESA-N 1 0 481.645 2.590 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2cnc(C)s2)CC1)C(C)C ZINC001295821121 1063827383 /nfs/dbraw/zinc/82/73/83/1063827383.db2.gz MOIYNPUEMQNFNS-UHFFFAOYSA-N 1 0 497.673 2.743 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001291343025 1063827788 /nfs/dbraw/zinc/82/77/88/1063827788.db2.gz FCTUDFUCXNUYIA-ILWGZMRPSA-N 1 0 454.619 2.798 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CC2)C1)CCC(F)(F)F ZINC001295821619 1063828002 /nfs/dbraw/zinc/82/80/02/1063828002.db2.gz RTQJBVOFSBUEKQ-UHFFFAOYSA-N 1 0 481.523 2.817 20 0 JFADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295822340 1063828323 /nfs/dbraw/zinc/82/83/23/1063828323.db2.gz ZGUYYZJNZZZMKG-GOSISDBHSA-N 1 0 465.643 2.640 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[NH+]2CCOCC2)C1 ZINC001291344509 1063833161 /nfs/dbraw/zinc/83/31/61/1063833161.db2.gz DTSGCTANPUDSOV-IBGZPJMESA-N 1 0 490.599 2.755 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[NH+]2CCOCC2)C1 ZINC001291344510 1063833203 /nfs/dbraw/zinc/83/32/03/1063833203.db2.gz DTSGCTANPUDSOV-LJQANCHMSA-N 1 0 490.599 2.755 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1)C1CC1 ZINC001295825182 1063833437 /nfs/dbraw/zinc/83/34/37/1063833437.db2.gz PPTZYZQPRUUTCY-CYBMUJFWSA-N 1 0 451.369 2.519 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1)C1CC1 ZINC001295825183 1063833598 /nfs/dbraw/zinc/83/35/98/1063833598.db2.gz PPTZYZQPRUUTCY-ZDUSSCGKSA-N 1 0 451.369 2.519 20 0 JFADRO C[NH+]1CCN(Cc2ccc(C(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC001295827230 1063836761 /nfs/dbraw/zinc/83/67/61/1063836761.db2.gz AOQCWFVSQODHAL-XMMPIXPASA-N 1 0 457.018 2.579 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C[C@H]1C ZINC001295827693 1063837802 /nfs/dbraw/zinc/83/78/02/1063837802.db2.gz DVUKSBVITBRUGW-MSOLQXFVSA-N 1 0 457.596 2.922 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001291345413 1063839268 /nfs/dbraw/zinc/83/92/68/1063839268.db2.gz XELRFKAOABHPLO-HSZRJFAPSA-N 1 0 461.614 2.891 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)CC1)C1CC1 ZINC001295829383 1063840899 /nfs/dbraw/zinc/84/08/99/1063840899.db2.gz HBBHBCRHHWYGGV-UHFFFAOYSA-N 1 0 461.408 2.827 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)C(C)C ZINC001295830071 1063843527 /nfs/dbraw/zinc/84/35/27/1063843527.db2.gz LDZAODKSIFFSAR-UYAOXDASSA-N 1 0 462.042 2.881 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001291347183 1063848120 /nfs/dbraw/zinc/84/81/20/1063848120.db2.gz IAGCCQKNVCASIU-LEWJYISDSA-N 1 0 458.582 2.896 20 0 JFADRO C[N@H+](CCCO)C1CCN(C(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001295833548 1063848029 /nfs/dbraw/zinc/84/80/29/1063848029.db2.gz WILFWMIGARNROR-HSZRJFAPSA-N 1 0 454.571 2.884 20 0 JFADRO CC[N@H+](CCn1c(-c2ccccc2Br)nnc1N1CCC(C(N)=O)CC1)C1CC1 ZINC001295834015 1063849335 /nfs/dbraw/zinc/84/93/35/1063849335.db2.gz MSCWXDUQGAUXKM-UHFFFAOYSA-N 1 0 461.408 2.894 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001291348840 1063854893 /nfs/dbraw/zinc/85/48/93/1063854893.db2.gz YHIJHAGZLFAVHN-XWUOBKMESA-N 1 0 476.666 2.618 20 0 JFADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)C(C)C ZINC001295837493 1063855025 /nfs/dbraw/zinc/85/50/25/1063855025.db2.gz MXPWYNOJNCAOBT-UHFFFAOYSA-N 1 0 469.556 2.909 20 0 JFADRO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)C(C)C ZINC001295837655 1063855642 /nfs/dbraw/zinc/85/56/42/1063855642.db2.gz AWYOONSVZPQCGZ-GOTSBHOMSA-N 1 0 496.704 2.697 20 0 JFADRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC001295838074 1063855972 /nfs/dbraw/zinc/85/59/72/1063855972.db2.gz SILKXRWMUURNBE-XZOQPEGZSA-N 1 0 496.704 2.887 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)CCC(F)(F)F ZINC001295839367 1063858472 /nfs/dbraw/zinc/85/84/72/1063858472.db2.gz UMPNNWIWUZTYHJ-DOTOQJQBSA-N 1 0 453.513 2.605 20 0 JFADRO CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2=O)CC1)CCC(F)(F)F ZINC001295839831 1063859161 /nfs/dbraw/zinc/85/91/61/1063859161.db2.gz ZEVGJIMSKPKZHX-UHFFFAOYSA-N 1 0 496.582 2.934 20 0 JFADRO CCC(C)(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001291355952 1063862241 /nfs/dbraw/zinc/86/22/41/1063862241.db2.gz JEYQWBGTCFKDTJ-OAQYLSRUSA-N 1 0 467.662 2.746 20 0 JFADRO CC[N@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H]1CCCCO1)C(C)C ZINC001295842584 1063862645 /nfs/dbraw/zinc/86/26/45/1063862645.db2.gz YHSGKQRUKZOROR-LJQANCHMSA-N 1 0 477.679 2.974 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CCc2ccccc2)C1)C(C)C ZINC001295845615 1063867091 /nfs/dbraw/zinc/86/70/91/1063867091.db2.gz QUFNQFNKBMHROV-FCHUYYIVSA-N 1 0 454.619 2.798 20 0 JFADRO CC[N@H+](CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(CC(=O)NC)CC1)C(C)C ZINC001295846267 1063868222 /nfs/dbraw/zinc/86/82/22/1063868222.db2.gz PSMFUFGZSQPWBU-UHFFFAOYSA-N 1 0 480.617 2.677 20 0 JFADRO CC[N@H+](CCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)CCC(F)(F)F ZINC001295846560 1063868963 /nfs/dbraw/zinc/86/89/63/1063868963.db2.gz WKCRQZSCYPGRDI-LJQANCHMSA-N 1 0 499.626 2.953 20 0 JFADRO CC[C@@](C)(O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291360999 1063872581 /nfs/dbraw/zinc/87/25/81/1063872581.db2.gz DULDBKZALYDVAY-HSZRJFAPSA-N 1 0 477.679 2.628 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)C(C)C ZINC001295851134 1063875313 /nfs/dbraw/zinc/87/53/13/1063875313.db2.gz BPRZIQFZYCOAAC-JOCHJYFZSA-N 1 0 483.661 2.663 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)C(C)C ZINC001295851652 1063876397 /nfs/dbraw/zinc/87/63/97/1063876397.db2.gz GHMXRJAETLFWGX-MRXNPFEDSA-N 1 0 450.525 2.535 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)C(C)C ZINC001295852682 1063877829 /nfs/dbraw/zinc/87/78/29/1063877829.db2.gz KYQDABZSJREJGL-SFHVURJKSA-N 1 0 496.628 2.515 20 0 JFADRO Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001295852850 1063877941 /nfs/dbraw/zinc/87/79/41/1063877941.db2.gz PZBIQJFXIKFGFK-DJJJIMSYSA-N 1 0 457.930 2.997 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)=C(Br)C1)C(C)C ZINC001295854094 1063882100 /nfs/dbraw/zinc/88/21/00/1063882100.db2.gz UYIPLLIKZIYPQT-MRXNPFEDSA-N 1 0 474.469 2.790 20 0 JFADRO CC[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CC1 ZINC001295854613 1063883230 /nfs/dbraw/zinc/88/32/30/1063883230.db2.gz KNSHMBDDKPVRGC-OAQYLSRUSA-N 1 0 463.623 2.896 20 0 JFADRO 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CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001291435258 1064015916 /nfs/dbraw/zinc/01/59/16/1064015916.db2.gz ZXVKRTZHCXXQLO-YADHBBJMSA-N 1 0 469.682 2.714 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435123 1064015937 /nfs/dbraw/zinc/01/59/37/1064015937.db2.gz YJVAJTZZUYZEHG-IFMALSPDSA-N 1 0 489.686 2.832 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435125 1064015954 /nfs/dbraw/zinc/01/59/54/1064015954.db2.gz YJVAJTZZUYZEHG-RBBKRZOGSA-N 1 0 489.686 2.832 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001291435721 1064016712 /nfs/dbraw/zinc/01/67/12/1064016712.db2.gz IUBABQYSSVURSU-FQEVSTJZSA-N 1 0 476.666 2.510 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@@H]1C ZINC001295975147 1064018306 /nfs/dbraw/zinc/01/83/06/1064018306.db2.gz AMSYQGAKMGTKAR-ROUUACIJSA-N 1 0 490.052 2.695 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001295975145 1064018324 /nfs/dbraw/zinc/01/83/24/1064018324.db2.gz AMSYQGAKMGTKAR-QZTJIDSGSA-N 1 0 490.052 2.695 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001295975445 1064019137 /nfs/dbraw/zinc/01/91/37/1064019137.db2.gz DECLCTJGRNCCOW-ZJOUEHCJSA-N 1 0 488.658 2.807 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001295976066 1064021111 /nfs/dbraw/zinc/02/11/11/1064021111.db2.gz CFEHPRSQROAWOK-AABGKKOBSA-N 1 0 488.608 2.725 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001295976068 1064021141 /nfs/dbraw/zinc/02/11/41/1064021141.db2.gz CFEHPRSQROAWOK-SLFFLAALSA-N 1 0 488.608 2.725 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001291455906 1064021749 /nfs/dbraw/zinc/02/17/49/1064021749.db2.gz GLQHXCDLKCNCHQ-ZJSXRUAMSA-N 1 0 484.689 2.954 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295976613 1064022581 /nfs/dbraw/zinc/02/25/81/1064022581.db2.gz HPGSDZJQTCQCLQ-WOJBJXKFSA-N 1 0 493.612 2.918 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291456866 1064022915 /nfs/dbraw/zinc/02/29/15/1064022915.db2.gz ZHWNDMICXRXTEJ-HXUWFJFHSA-N 1 0 450.672 2.574 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291456865 1064022967 /nfs/dbraw/zinc/02/29/67/1064022967.db2.gz ZHWNDMICXRXTEJ-FQEVSTJZSA-N 1 0 450.672 2.574 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291457307 1064023472 /nfs/dbraw/zinc/02/34/72/1064023472.db2.gz IWPROCPGDVXSSU-ISKFKSNPSA-N 1 0 470.662 2.851 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@]1(OC)CCOC1 ZINC001291458726 1064025308 /nfs/dbraw/zinc/02/53/08/1064025308.db2.gz MXCBVBXIZLWYHK-RRZZWSPOSA-N 1 0 459.639 2.850 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@]1(OC)CCOC1 ZINC001291458724 1064025345 /nfs/dbraw/zinc/02/53/45/1064025345.db2.gz MXCBVBXIZLWYHK-KLNOSBNDSA-N 1 0 459.639 2.850 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001295980062 1064028622 /nfs/dbraw/zinc/02/86/22/1064028622.db2.gz NWPXVNVOAOHETO-KGLIPLIRSA-N 1 0 476.427 2.634 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cnccc1OC ZINC001291470124 1064030252 /nfs/dbraw/zinc/03/02/52/1064030252.db2.gz LTLORUPFHLBZCT-IPJJNNNSSA-N 1 0 469.634 2.622 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470310 1064031098 /nfs/dbraw/zinc/03/10/98/1064031098.db2.gz OETYNTBNONFPBI-JXHRLWIKSA-N 1 0 453.635 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001295981284 1064032116 /nfs/dbraw/zinc/03/21/16/1064032116.db2.gz RATJUFVLRIMZHR-MSQSPTIYSA-N 1 0 451.637 2.890 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@H]1C ZINC001295981803 1064033206 /nfs/dbraw/zinc/03/32/06/1064033206.db2.gz SAWTXMSGNFUEBT-AABGKKOBSA-N 1 0 478.663 2.503 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001295982174 1064034145 /nfs/dbraw/zinc/03/41/45/1064034145.db2.gz WMHQQJPGWRUOBB-WOJBJXKFSA-N 1 0 470.618 2.608 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001295982248 1064034796 /nfs/dbraw/zinc/03/47/96/1064034796.db2.gz WWSWNOCXGBVQTF-WOGXIUBCSA-N 1 0 458.607 2.551 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@H]1C ZINC001295982472 1064035128 /nfs/dbraw/zinc/03/51/28/1064035128.db2.gz TUXCMZFNHMZBPW-FGTMMUONSA-N 1 0 466.627 2.579 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)Sc2ccccc2)C[C@@H]1C ZINC001295982455 1064035174 /nfs/dbraw/zinc/03/51/74/1064035174.db2.gz SYHUPKTZWKTPAA-VJANTYMQSA-N 1 0 480.704 2.988 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479158 1064036018 /nfs/dbraw/zinc/03/60/18/1064036018.db2.gz FDWOLBLROCXRHU-XYJFISCASA-N 1 0 466.677 2.813 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001295982798 1064036683 /nfs/dbraw/zinc/03/66/83/1064036683.db2.gz YJLJMJAPULDHCT-FUHIMQAGSA-N 1 0 461.010 2.959 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001295983158 1064037963 /nfs/dbraw/zinc/03/79/63/1064037963.db2.gz YJSLAMHKDBWRAC-SJORKVTESA-N 1 0 482.555 2.729 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@H]1C ZINC001295983445 1064038099 /nfs/dbraw/zinc/03/80/99/1064038099.db2.gz WEZKMFRZUCDIRN-BUEREQSYSA-N 1 0 498.672 2.840 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC001295983195 1064038457 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ZINC001295984524 1064042437 /nfs/dbraw/zinc/04/24/37/1064042437.db2.gz ZEIFHNMETIPCJR-SAHWJRBASA-N 1 0 477.679 2.627 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001295985488 1064042984 /nfs/dbraw/zinc/04/29/84/1064042984.db2.gz RGEYWRANCHTEJM-IAGOWNOFSA-N 1 0 469.055 2.847 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001291488677 1064044412 /nfs/dbraw/zinc/04/44/12/1064044412.db2.gz QUUFVEIXDUPSHJ-ISJBWFOZSA-N 1 0 467.662 2.965 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001295989545 1064044511 /nfs/dbraw/zinc/04/45/11/1064044511.db2.gz BNQMJPDCIGJTSF-MOPGFXCFSA-N 1 0 463.586 2.698 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001295990128 1064044829 /nfs/dbraw/zinc/04/48/29/1064044829.db2.gz FCQRYGDNFGQRPE-FGTMMUONSA-N 1 0 481.066 2.941 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1C ZINC001295990133 1064044860 /nfs/dbraw/zinc/04/48/60/1064044860.db2.gz FCQRYGDNFGQRPE-OKZBNKHCSA-N 1 0 481.066 2.941 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295991200 1064045870 /nfs/dbraw/zinc/04/58/70/1064045870.db2.gz AKKGORHZPLXMSJ-SJORKVTESA-N 1 0 489.621 2.840 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291493877 1064046553 /nfs/dbraw/zinc/04/65/53/1064046553.db2.gz QPKXDUJAOZVUCV-AIYYMTJKSA-N 1 0 459.639 2.727 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291493625 1064046567 /nfs/dbraw/zinc/04/65/67/1064046567.db2.gz NPULEXKAEWGADB-HOYKHHGWSA-N 1 0 459.639 2.728 20 0 JFADRO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001295992045 1064046878 /nfs/dbraw/zinc/04/68/78/1064046878.db2.gz GEQZXNIUCPMJDO-PWRODBHTSA-N 1 0 454.656 2.712 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001291494181 1064046923 /nfs/dbraw/zinc/04/69/23/1064046923.db2.gz WIHAKAMUTWLEON-BTYIYWSLSA-N 1 0 487.571 2.880 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291495852 1064048661 /nfs/dbraw/zinc/04/86/61/1064048661.db2.gz AWVINBRJTRSGSE-KVSKMBFKSA-N 1 0 473.647 2.923 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291495854 1064048676 /nfs/dbraw/zinc/04/86/76/1064048676.db2.gz AWVINBRJTRSGSE-WDYCEAGBSA-N 1 0 473.647 2.923 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001295993822 1064049762 /nfs/dbraw/zinc/04/97/62/1064049762.db2.gz UIKOCKDYZUCZQS-CVEARBPZSA-N 1 0 459.396 2.918 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001295994449 1064050089 /nfs/dbraw/zinc/05/00/89/1064050089.db2.gz GOVPGYPKQJILGR-RTBURBONSA-N 1 0 462.664 2.764 20 0 JFADRO CCN(CCCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295994667 1064050717 /nfs/dbraw/zinc/05/07/17/1064050717.db2.gz VURZKUFIVWVXCQ-UXHICEINSA-N 1 0 462.664 2.844 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@]1(O)CCSC1 ZINC001291499928 1064051046 /nfs/dbraw/zinc/05/10/46/1064051046.db2.gz OYCCZVXABPVTDL-XXBNENTESA-N 1 0 451.681 2.988 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001291502606 1064053089 /nfs/dbraw/zinc/05/30/89/1064053089.db2.gz KFGDAEUTDJIKDM-LJQANCHMSA-N 1 0 454.685 2.823 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCOC)C[C@H]1C ZINC001295997505 1064053792 /nfs/dbraw/zinc/05/37/92/1064053792.db2.gz RGECSJGLUIRZSO-AABGKKOBSA-N 1 0 480.654 2.932 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001295997739 1064054038 /nfs/dbraw/zinc/05/40/38/1064054038.db2.gz RWGCZHBWZTZPIL-FVCZOJIISA-N 1 0 475.588 2.729 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295998185 1064054878 /nfs/dbraw/zinc/05/48/78/1064054878.db2.gz TWFFRMBVFIKFLU-MSOLQXFVSA-N 1 0 460.627 2.902 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001295999711 1064056467 /nfs/dbraw/zinc/05/64/67/1064056467.db2.gz XEVVWAFJUDHSFP-BFQNTYOBSA-N 1 0 454.472 2.753 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001296003206 1064057891 /nfs/dbraw/zinc/05/78/91/1064057891.db2.gz SBEYPDWICQOKDO-MSOLQXFVSA-N 1 0 454.550 2.836 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291507879 1064058918 /nfs/dbraw/zinc/05/89/18/1064058918.db2.gz BOMQPKBYHLYXIW-QUCCMNQESA-N 1 0 460.648 2.746 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@@H]1C ZINC001296004252 1064059330 /nfs/dbraw/zinc/05/93/30/1064059330.db2.gz YDBZHHZIZFHPHK-LEWJYISDSA-N 1 0 461.614 2.921 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510503 1064062413 /nfs/dbraw/zinc/06/24/13/1064062413.db2.gz XFRQMYRLLHLHHU-FYYLOGMGSA-N 1 0 497.688 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008901 1064063562 /nfs/dbraw/zinc/06/35/62/1064063562.db2.gz BWXFXPIODSSPDG-GJZGRUSLSA-N 1 0 470.952 2.811 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008964 1064063580 /nfs/dbraw/zinc/06/35/80/1064063580.db2.gz COPDJVWIPMDYLX-ZWKOTPCHSA-N 1 0 464.561 2.774 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001296009409 1064064446 /nfs/dbraw/zinc/06/44/46/1064064446.db2.gz GADOHKFVPISREY-FBROZUCGSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@H]1C ZINC001296009660 1064065902 /nfs/dbraw/zinc/06/59/02/1064065902.db2.gz ICJXELNFSJVYDW-MOPGFXCFSA-N 1 0 467.622 2.780 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296009758 1064066402 /nfs/dbraw/zinc/06/64/02/1064066402.db2.gz MXAZYXZPKWPDPF-FKBYEOEOSA-N 1 0 470.662 2.712 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNS(=O)(=O)c2ccccc2)C[C@@H]1C ZINC001296009733 1064066601 /nfs/dbraw/zinc/06/66/01/1064066601.db2.gz MNOKMCCRABWGHM-OALUTQOASA-N 1 0 488.683 2.828 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001296009806 1064066971 /nfs/dbraw/zinc/06/69/71/1064066971.db2.gz IGSKEPOUGHRQFL-ZWKOTPCHSA-N 1 0 458.582 2.961 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296010162 1064067898 /nfs/dbraw/zinc/06/78/98/1064067898.db2.gz PKZCTSCCBMFJFG-UXHICEINSA-N 1 0 457.619 2.532 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296010165 1064068160 /nfs/dbraw/zinc/06/81/60/1064068160.db2.gz PKZCTSCCBMFJFG-VQTJNVASSA-N 1 0 457.619 2.532 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291514742 1064068385 /nfs/dbraw/zinc/06/83/85/1064068385.db2.gz YJIGWHOQMQSBGI-QGZVFWFLSA-N 1 0 452.669 2.574 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@H]1C ZINC001296011433 1064071230 /nfs/dbraw/zinc/07/12/30/1064071230.db2.gz OYDDXNGXFQBKCK-QZTJIDSGSA-N 1 0 453.616 2.826 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@H]2CCOC2)C[C@H]1C ZINC001296011680 1064071675 /nfs/dbraw/zinc/07/16/75/1064071675.db2.gz QEZKSDQBFJJOFF-BHIFYINESA-N 1 0 459.639 2.502 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001296012574 1064073194 /nfs/dbraw/zinc/07/31/94/1064073194.db2.gz UAWAYJQVWWWMFD-RBUKOAKNSA-N 1 0 470.647 2.550 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001296013600 1064074620 /nfs/dbraw/zinc/07/46/20/1064074620.db2.gz WNFFRVOAFFQEFQ-SFTDATJTSA-N 1 0 482.633 2.527 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001296014581 1064076291 /nfs/dbraw/zinc/07/62/91/1064076291.db2.gz YOBMUJTUVUBBCB-OALUTQOASA-N 1 0 471.581 2.806 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCCOc2cccc(OC)c2)C[C@H]1C ZINC001296014569 1064076406 /nfs/dbraw/zinc/07/64/06/1064076406.db2.gz YJZIIUGMRBWYJD-UXHICEINSA-N 1 0 470.618 2.797 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001296015225 1064077195 /nfs/dbraw/zinc/07/71/95/1064077195.db2.gz ZWFOXICTJOVXIO-SVFBPWRDSA-N 1 0 454.619 2.999 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296017263 1064078814 /nfs/dbraw/zinc/07/88/14/1064078814.db2.gz XDNDXMMQPORKAC-RBUKOAKNSA-N 1 0 491.658 2.609 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296017308 1064079244 /nfs/dbraw/zinc/07/92/44/1064079244.db2.gz XWWIQENSQBOMPE-SFTDATJTSA-N 1 0 486.661 2.895 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001291539083 1064080198 /nfs/dbraw/zinc/08/01/98/1064080198.db2.gz ZNPGVSWWDXPTOX-SLFFLAALSA-N 1 0 454.685 2.679 20 0 JFADRO CCN1C[C@@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)Oc2ccccc21 ZINC001296019416 1064081048 /nfs/dbraw/zinc/08/10/48/1064081048.db2.gz XSKWJHOOWQCSQL-CLOONOSVSA-N 1 0 456.635 2.657 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001291539860 1064081919 /nfs/dbraw/zinc/08/19/19/1064081919.db2.gz JYKXPWQLPIIPIU-PWRODBHTSA-N 1 0 466.696 2.916 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cc(OC)ccc3Br)nnc2N2CCNC(=O)C2)CC1 ZINC001296021102 1064082049 /nfs/dbraw/zinc/08/20/49/1064082049.db2.gz FTMZOSHVKKOYCU-UHFFFAOYSA-N 1 0 491.434 2.774 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001296021528 1064082308 /nfs/dbraw/zinc/08/23/08/1064082308.db2.gz IGSQQQIXCQMPNP-QUCCMNQESA-N 1 0 454.685 2.883 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2c2ccco2)CC1 ZINC001296021760 1064082657 /nfs/dbraw/zinc/08/26/57/1064082657.db2.gz LMMDHUKUGOZRAZ-MJGOQNOKSA-N 1 0 464.636 2.945 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296023263 1064083741 /nfs/dbraw/zinc/08/37/41/1064083741.db2.gz KKQBQYXZVXIKLW-FQEVSTJZSA-N 1 0 491.658 2.708 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291541490 1064084321 /nfs/dbraw/zinc/08/43/21/1064084321.db2.gz GKLPMDHHLXJIQX-NYVOZVTQSA-N 1 0 485.681 2.784 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291541491 1064084386 /nfs/dbraw/zinc/08/43/86/1064084386.db2.gz GKLPMDHHLXJIQX-VLCRHTCISA-N 1 0 485.681 2.784 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001296024796 1064084971 /nfs/dbraw/zinc/08/49/71/1064084971.db2.gz JMECAROJYBZCEG-ROUUACIJSA-N 1 0 459.607 2.784 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296026312 1064086011 /nfs/dbraw/zinc/08/60/11/1064086011.db2.gz BMEYICSWLLAZGD-OAQYLSRUSA-N 1 0 457.623 2.651 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296026582 1064086253 /nfs/dbraw/zinc/08/62/53/1064086253.db2.gz DOHYFBZLRFIFIM-UHFFFAOYSA-N 1 0 484.693 2.956 20 0 JFADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296026634 1064086286 /nfs/dbraw/zinc/08/62/86/1064086286.db2.gz GDIBUYNYVHOPDE-UHFFFAOYSA-N 1 0 456.639 2.509 20 0 JFADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296028343 1064087249 /nfs/dbraw/zinc/08/72/49/1064087249.db2.gz YKQQDDCKBPHWPZ-FUHWJXTLSA-N 1 0 472.556 2.679 20 0 JFADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296028296 1064087318 /nfs/dbraw/zinc/08/73/18/1064087318.db2.gz XMTRATHLNCRIGO-UHFFFAOYSA-N 1 0 481.645 2.906 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001296030451 1064087637 /nfs/dbraw/zinc/08/76/37/1064087637.db2.gz CYHAEYKCGKBZDR-VWLOTQADSA-N 1 0 498.672 2.937 20 0 JFADRO CC[NH+]1CCC(CCn2c(CSc3ccccc3OC)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296031005 1064088360 /nfs/dbraw/zinc/08/83/60/1064088360.db2.gz OOMVUHUFTDCDAH-UHFFFAOYSA-N 1 0 472.659 2.979 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001296031027 1064088618 /nfs/dbraw/zinc/08/86/18/1064088618.db2.gz OYQZJWLFURJFEQ-SFHVURJKSA-N 1 0 470.593 2.997 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291545069 1064088696 /nfs/dbraw/zinc/08/86/96/1064088696.db2.gz WHSVZVJKJVPDAN-LEWJYISDSA-N 1 0 484.711 2.541 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC([C@H](O)c3ccc(F)cc3)CC2)C1 ZINC001296031072 1064088662 /nfs/dbraw/zinc/08/86/62/1064088662.db2.gz PICZXRHEVCYZTK-PGRDOPGGSA-N 1 0 472.609 2.847 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001291552863 1064090470 /nfs/dbraw/zinc/09/04/70/1064090470.db2.gz YVLQQUNUTFKFKP-HNNXBMFYSA-N 1 0 451.511 2.634 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296034638 1064093426 /nfs/dbraw/zinc/09/34/26/1064093426.db2.gz WJXWVUNGYWOMFL-OAQYLSRUSA-N 1 0 481.645 2.794 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001296035375 1064094362 /nfs/dbraw/zinc/09/43/62/1064094362.db2.gz BTSZKJKIJDOYRE-VFNWGFHPSA-N 1 0 461.408 2.751 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@H](COC(C)C)C2)C1 ZINC001296036014 1064095430 /nfs/dbraw/zinc/09/54/30/1064095430.db2.gz GSMKBXQJZCTPKA-FPOVZHCZSA-N 1 0 473.618 2.934 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001296036759 1064096472 /nfs/dbraw/zinc/09/64/72/1064096472.db2.gz KSBBUDQUDHTNTD-INIZCTEOSA-N 1 0 485.029 2.551 20 0 JFADRO 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CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001296072975 1064138009 /nfs/dbraw/zinc/13/80/09/1064138009.db2.gz HHEFSXQHYHPHCC-HKUYNNGSSA-N 1 0 460.554 2.757 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296073551 1064138927 /nfs/dbraw/zinc/13/89/27/1064138927.db2.gz SBULZVBMZMLKDU-GOSISDBHSA-N 1 0 451.662 2.818 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296073552 1064138974 /nfs/dbraw/zinc/13/89/74/1064138974.db2.gz SBULZVBMZMLKDU-SFHVURJKSA-N 1 0 451.662 2.818 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296073647 1064139454 /nfs/dbraw/zinc/13/94/54/1064139454.db2.gz GGTDPGMWUJROHN-OALUTQOASA-N 1 0 479.622 2.884 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001296073645 1064139507 /nfs/dbraw/zinc/13/95/07/1064139507.db2.gz GGTDPGMWUJROHN-MOPGFXCFSA-N 1 0 479.622 2.884 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC001296073924 1064140043 /nfs/dbraw/zinc/14/00/43/1064140043.db2.gz LIGPTLCGOHSGHF-QZNUFANNSA-N 1 0 472.659 2.820 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001296073935 1064140065 /nfs/dbraw/zinc/14/00/65/1064140065.db2.gz LKKDLZFMDHCMAJ-YADHBBJMSA-N 1 0 454.619 2.661 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 ZINC001296074560 1064140512 /nfs/dbraw/zinc/14/05/12/1064140512.db2.gz LNIDGIOCOUMUQI-AABGKKOBSA-N 1 0 478.638 2.686 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074569 1064140862 /nfs/dbraw/zinc/14/08/62/1064140862.db2.gz LNRRXRUBHZYQRT-MSOLQXFVSA-N 1 0 450.628 2.790 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001296074571 1064140958 /nfs/dbraw/zinc/14/09/58/1064140958.db2.gz LNRRXRUBHZYQRT-ROUUACIJSA-N 1 0 450.628 2.790 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)nnc1C(C)(C)C ZINC001296074780 1064141491 /nfs/dbraw/zinc/14/14/91/1064141491.db2.gz MKHNNTUFYLGUQY-HRTMPFAESA-N 1 0 473.710 2.877 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001296075139 1064141966 /nfs/dbraw/zinc/14/19/66/1064141966.db2.gz NKBGJJQYEIJRGT-IPJJNNNSSA-N 1 0 459.591 2.837 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(OC)c(O)c1 ZINC001296075140 1064142122 /nfs/dbraw/zinc/14/21/22/1064142122.db2.gz NKBGJJQYEIJRGT-JQVVWYNYSA-N 1 0 459.591 2.837 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001291606508 1064142676 /nfs/dbraw/zinc/14/26/76/1064142676.db2.gz QPXKFQLIXSINPI-FPOVZHCZSA-N 1 0 468.650 2.877 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001296076458 1064144953 /nfs/dbraw/zinc/14/49/53/1064144953.db2.gz XAKGJCWRWVGYBA-MXEMCNAFSA-N 1 0 489.665 2.638 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001296076476 1064145004 /nfs/dbraw/zinc/14/50/04/1064145004.db2.gz XCESBIDIPNICQJ-RTWAWAEBSA-N 1 0 470.618 2.655 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296078917 1064145487 /nfs/dbraw/zinc/14/54/87/1064145487.db2.gz AIXYRWTTYUNQGM-CTNGQTDRSA-N 1 0 467.618 2.723 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COc2ccccc2)C1 ZINC001296079406 1064146603 /nfs/dbraw/zinc/14/66/03/1064146603.db2.gz FXFREUPRBWPKSY-IFMALSPDSA-N 1 0 470.618 2.575 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079371 1064146637 /nfs/dbraw/zinc/14/66/37/1064146637.db2.gz FRHFWFVCEKUBLJ-WOJBJXKFSA-N 1 0 480.654 2.934 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001291609758 1064147435 /nfs/dbraw/zinc/14/74/35/1064147435.db2.gz VHCPEHCJAGKPCZ-MRXNPFEDSA-N 1 0 470.544 2.653 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001296081056 1064148179 /nfs/dbraw/zinc/14/81/79/1064148179.db2.gz PRBVOQWYGCADNA-YFVAEKQCSA-N 1 0 460.648 2.886 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296081453 1064149305 /nfs/dbraw/zinc/14/93/05/1064149305.db2.gz UJCQDKJPJBNQPA-VGOFRKELSA-N 1 0 492.466 2.883 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1 ZINC001296082756 1064150266 /nfs/dbraw/zinc/15/02/66/1064150266.db2.gz AIBIIIFYEMFEOV-GOSISDBHSA-N 1 0 461.010 2.768 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC001296083556 1064151311 /nfs/dbraw/zinc/15/13/11/1064151311.db2.gz GDQOTNUNEQPPIJ-NRFANRHFSA-N 1 0 497.669 2.938 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCOC ZINC001296084621 1064151710 /nfs/dbraw/zinc/15/17/10/1064151710.db2.gz NGOHTSTVMFTRRI-GOSISDBHSA-N 1 0 463.652 2.585 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291614185 1064151855 /nfs/dbraw/zinc/15/18/55/1064151855.db2.gz IINSLPAKGOOZIF-XUVXKRRUSA-N 1 0 456.639 2.716 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(OC)cc1 ZINC001296084834 1064152825 /nfs/dbraw/zinc/15/28/25/1064152825.db2.gz AFUQGLKRWFWCTG-PMACEKPBSA-N 1 0 491.658 2.578 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001296086540 1064155055 /nfs/dbraw/zinc/15/50/55/1064155055.db2.gz ZFNLAOLMRPAAHX-FUHWJXTLSA-N 1 0 454.545 2.626 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 ZINC001296087352 1064156229 /nfs/dbraw/zinc/15/62/29/1064156229.db2.gz FNRVLDIDAONKCI-IBGZPJMESA-N 1 0 458.588 2.847 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSCC1 ZINC001296087740 1064157289 /nfs/dbraw/zinc/15/72/89/1064157289.db2.gz HJUYPYIUYSANFR-LJQANCHMSA-N 1 0 478.688 2.623 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087943 1064157331 /nfs/dbraw/zinc/15/73/31/1064157331.db2.gz PFHADAVJFORATC-VQTJNVASSA-N 1 0 478.638 2.688 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291620565 1064159964 /nfs/dbraw/zinc/15/99/64/1064159964.db2.gz KHWAOXKKHSISMM-IBGZPJMESA-N 1 0 454.619 2.843 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001296089315 1064160147 /nfs/dbraw/zinc/16/01/47/1064160147.db2.gz OBJUNIGOYIXTFE-MZNJEOGPSA-N 1 0 456.591 2.538 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296089362 1064160483 /nfs/dbraw/zinc/16/04/83/1064160483.db2.gz PDCBNSSLRJUCQU-NQIIRXRSSA-N 1 0 470.618 2.894 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296089558 1064160562 /nfs/dbraw/zinc/16/05/62/1064160562.db2.gz PWWLEIRFDSXIKO-IBGZPJMESA-N 1 0 461.632 2.842 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296091782 1064163062 /nfs/dbraw/zinc/16/30/62/1064163062.db2.gz BVGNLCYEDIGNMG-SFTDATJTSA-N 1 0 454.619 2.648 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622324 1064163233 /nfs/dbraw/zinc/16/32/33/1064163233.db2.gz VKKRWRFPFRJACY-ROUUACIJSA-N 1 0 455.607 2.883 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296092237 1064164542 /nfs/dbraw/zinc/16/45/42/1064164542.db2.gz HNJCZCNLOLVLFB-HSZRJFAPSA-N 1 0 486.636 2.861 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001296092199 1064164555 /nfs/dbraw/zinc/16/45/55/1064164555.db2.gz GSIQXWOTUCJJGP-VXKWHMMOSA-N 1 0 453.635 2.879 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001296094002 1064165936 /nfs/dbraw/zinc/16/59/36/1064165936.db2.gz SXUWWSBDFXIFKU-LJQANCHMSA-N 1 0 451.541 2.823 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCC[NH+]1CCCC1 ZINC001291625793 1064165914 /nfs/dbraw/zinc/16/59/14/1064165914.db2.gz HMYITBXVUSLJBR-YADHBBJMSA-N 1 0 459.683 2.801 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001296095319 1064168323 /nfs/dbraw/zinc/16/83/23/1064168323.db2.gz HTUJHIDHBBVEEK-JOCHJYFZSA-N 1 0 472.682 2.561 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296095376 1064168387 /nfs/dbraw/zinc/16/83/87/1064168387.db2.gz IMAWYVAWZARIFN-AZUAARDMSA-N 1 0 458.582 2.928 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001296095627 1064168596 /nfs/dbraw/zinc/16/85/96/1064168596.db2.gz JFCPSYVDSRRYDI-OAQYLSRUSA-N 1 0 470.666 2.830 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296096027 1064169288 /nfs/dbraw/zinc/16/92/88/1064169288.db2.gz KYXACOWEQIGYFY-NTKDMRAZSA-N 1 0 458.582 2.833 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291627762 1064169664 /nfs/dbraw/zinc/16/96/64/1064169664.db2.gz GAQGFDAEYSWLLV-MOPGFXCFSA-N 1 0 486.690 2.914 20 0 JFADRO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC001296096140 1064169653 /nfs/dbraw/zinc/16/96/53/1064169653.db2.gz MFSYILTUTPXKEV-JOCHJYFZSA-N 1 0 468.646 2.639 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296097398 1064170705 /nfs/dbraw/zinc/17/07/05/1064170705.db2.gz QGWBDCHYIZNQTF-YUXAGFNASA-N 1 0 459.591 2.590 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097892 1064171278 /nfs/dbraw/zinc/17/12/78/1064171278.db2.gz TXVBKGHJGIZTIN-RBUKOAKNSA-N 1 0 474.610 2.938 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001296098491 1064171732 /nfs/dbraw/zinc/17/17/32/1064171732.db2.gz XYISPDSOKIPFCE-OAQYLSRUSA-N 1 0 470.666 2.709 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001296098408 1064171824 /nfs/dbraw/zinc/17/18/24/1064171824.db2.gz XMSUICQQFMISNA-HXUWFJFHSA-N 1 0 491.036 2.680 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291628817 1064172071 /nfs/dbraw/zinc/17/20/71/1064172071.db2.gz PKJUMMOLPPGCEU-BXXSPATCSA-N 1 0 473.710 2.902 20 0 JFADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1=O ZINC001296100210 1064173278 /nfs/dbraw/zinc/17/32/78/1064173278.db2.gz GFRJLVBGCSNWEP-DYESRHJHSA-N 1 0 458.582 2.956 20 0 JFADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC001296100212 1064173288 /nfs/dbraw/zinc/17/32/88/1064173288.db2.gz GFRJLVBGCSNWEP-UTKZUKDTSA-N 1 0 458.582 2.956 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC[NH+]2CCCCC2)CC1=O ZINC001296102958 1064179499 /nfs/dbraw/zinc/17/94/99/1064179499.db2.gz GHRCZZQXBCOSMP-UHFFFAOYSA-N 1 0 470.618 2.897 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC001296103524 1064181260 /nfs/dbraw/zinc/18/12/60/1064181260.db2.gz OWQGHVQWJZFMFD-FQEVSTJZSA-N 1 0 482.585 2.917 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001291632707 1064182178 /nfs/dbraw/zinc/18/21/78/1064182178.db2.gz OYBQFTKPVDXGPT-QHCPKHFHSA-N 1 0 481.689 2.914 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001291633185 1064182763 /nfs/dbraw/zinc/18/27/63/1064182763.db2.gz RELLRZAKOAMYAS-MYDTUXCISA-N 1 0 473.710 2.950 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001291638877 1064186030 /nfs/dbraw/zinc/18/60/30/1064186030.db2.gz KBQHOIVRDRZMOU-FPOVZHCZSA-N 1 0 466.696 2.775 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638991 1064186502 /nfs/dbraw/zinc/18/65/02/1064186502.db2.gz LBXOGSZIGLOETM-DENIHFKCSA-N 1 0 475.659 2.543 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001291639007 1064186576 /nfs/dbraw/zinc/18/65/76/1064186576.db2.gz LCJFEIOGMSMRAU-ZWKOTPCHSA-N 1 0 452.607 2.713 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291639038 1064186851 /nfs/dbraw/zinc/18/68/51/1064186851.db2.gz OVGAZYWHTOASTP-CTNGQTDRSA-N 1 0 488.706 2.513 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639561 1064187527 /nfs/dbraw/zinc/18/75/27/1064187527.db2.gz NLSJTUFCMBPNKG-UGKGYDQZSA-N 1 0 459.614 2.605 20 0 JFADRO CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC001291640202 1064188948 /nfs/dbraw/zinc/18/89/48/1064188948.db2.gz BPNXUSOOVFXHRS-UHFFFAOYSA-N 1 0 457.596 2.747 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCO[C@@H](C)C1 ZINC001291640266 1064189403 /nfs/dbraw/zinc/18/94/03/1064189403.db2.gz QVFANMJFNDOIGH-CWBXHPNXSA-N 1 0 462.683 2.838 20 0 JFADRO CN1C(=O)C[C@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)[C@H]1c1cccc(F)c1 ZINC001291641792 1064191421 /nfs/dbraw/zinc/19/14/21/1064191421.db2.gz SUHIIJSIJKKWSM-JTHBVZDNSA-N 1 0 452.530 2.681 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccco1 ZINC001291641957 1064191756 /nfs/dbraw/zinc/19/17/56/1064191756.db2.gz GYYWALHHGGQKEJ-NJYVYQBISA-N 1 0 471.650 2.809 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1=O ZINC001296113551 1064195378 /nfs/dbraw/zinc/19/53/78/1064195378.db2.gz VLQJIRRJPLTTCQ-NRFANRHFSA-N 1 0 465.602 2.999 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291649654 1064203152 /nfs/dbraw/zinc/20/31/52/1064203152.db2.gz OBPMISPOALNLIU-JKSUJKDBSA-N 1 0 455.529 2.995 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CC[N@H+](C)C(C)C)CC2)CC1 ZINC001296119327 1064204204 /nfs/dbraw/zinc/20/42/04/1064204204.db2.gz RLHWLZKIWCUMSF-UHFFFAOYSA-N 1 0 461.699 2.587 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001296119464 1064204736 /nfs/dbraw/zinc/20/47/36/1064204736.db2.gz DTXNRTHMIGPUOK-HSZRJFAPSA-N 1 0 484.645 2.581 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001291652433 1064205516 /nfs/dbraw/zinc/20/55/16/1064205516.db2.gz SFWMIZYFGQEOOG-YSIASYRMSA-N 1 0 453.591 2.567 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccc(C)c3)CC2)CC1 ZINC001296120097 1064207908 /nfs/dbraw/zinc/20/79/08/1064207908.db2.gz DOYVIGJGHHSSAV-QFIPXVFZSA-N 1 0 496.704 2.832 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296120338 1064209492 /nfs/dbraw/zinc/20/94/92/1064209492.db2.gz HNYITWJQNJBMIR-VIZSFHNOSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296120542 1064210126 /nfs/dbraw/zinc/21/01/26/1064210126.db2.gz JGGDHSVYSJRWEX-UXHICEINSA-N 1 0 486.690 2.529 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001296120585 1064210958 /nfs/dbraw/zinc/21/09/58/1064210958.db2.gz JSXNYMJVKOWFGL-PCCBWWKXSA-N 1 0 488.702 2.857 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296121056 1064211738 /nfs/dbraw/zinc/21/17/38/1064211738.db2.gz MQLTZCTZLLDUFV-GOSISDBHSA-N 1 0 474.053 2.716 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122262 1064214202 /nfs/dbraw/zinc/21/42/02/1064214202.db2.gz UXXYOSXIORRAMS-PMACEKPBSA-N 1 0 463.671 2.873 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001296122476 1064215102 /nfs/dbraw/zinc/21/51/02/1064215102.db2.gz WKWNVVMRFXTWFS-NRFANRHFSA-N 1 0 454.667 2.750 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296122630 1064215333 /nfs/dbraw/zinc/21/53/33/1064215333.db2.gz YUQXMIZEXVAHIZ-VQTJNVASSA-N 1 0 463.671 2.873 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296122593 1064215353 /nfs/dbraw/zinc/21/53/53/1064215353.db2.gz YHAJCRUMYALTCD-OAQYLSRUSA-N 1 0 470.662 2.969 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001296122600 1064215430 /nfs/dbraw/zinc/21/54/30/1064215430.db2.gz YKHDTFYQEAKWAH-NRFANRHFSA-N 1 0 459.683 2.656 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@@H]2C)CC1 ZINC001296124341 1064217104 /nfs/dbraw/zinc/21/71/04/1064217104.db2.gz GXUIYTIBGPDURG-MOPGFXCFSA-N 1 0 474.675 2.930 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001296124881 1064217931 /nfs/dbraw/zinc/21/79/31/1064217931.db2.gz KFENFFLPIPZVHN-YPAWHYETSA-N 1 0 456.635 2.520 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001291687934 1064218025 /nfs/dbraw/zinc/21/80/25/1064218025.db2.gz KJBAYRABDVQVIP-RAZUEPIFSA-N 1 0 462.639 2.694 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296125565 1064219303 /nfs/dbraw/zinc/21/93/03/1064219303.db2.gz MTZRCSHKVUREES-GOSISDBHSA-N 1 0 453.591 2.913 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296126024 1064219626 /nfs/dbraw/zinc/21/96/26/1064219626.db2.gz OQXWXVGXPSJGIJ-ROUUACIJSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296126075 1064220056 /nfs/dbraw/zinc/22/00/56/1064220056.db2.gz PESCVULLQVOMRF-SFTDATJTSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296127632 1064221905 /nfs/dbraw/zinc/22/19/05/1064221905.db2.gz VWXDPZGDNVRTED-FQEVSTJZSA-N 1 0 479.595 2.964 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128047 1064222336 /nfs/dbraw/zinc/22/23/36/1064222336.db2.gz XJDOERKBFNNASU-SFTDATJTSA-N 1 0 498.676 2.812 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129608 1064222797 /nfs/dbraw/zinc/22/27/97/1064222797.db2.gz AYJPWFCPULZGOJ-FGZHOGPDSA-N 1 0 456.635 2.632 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296130056 1064223602 /nfs/dbraw/zinc/22/36/02/1064223602.db2.gz BDGHESDDPJNPLB-SFHVURJKSA-N 1 0 454.648 2.691 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296130807 1064224575 /nfs/dbraw/zinc/22/45/75/1064224575.db2.gz GMCLSZAXOGXBMS-IBGZPJMESA-N 1 0 455.582 2.954 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131188 1064224940 /nfs/dbraw/zinc/22/49/40/1064224940.db2.gz HZBKQZPBYQEOET-RTBURBONSA-N 1 0 488.633 2.602 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2nccs2)CC1 ZINC001296131252 1064225387 /nfs/dbraw/zinc/22/53/87/1064225387.db2.gz IHONUPRVWOBUHE-QGZVFWFLSA-N 1 0 474.704 2.795 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001296131631 1064226444 /nfs/dbraw/zinc/22/64/44/1064226444.db2.gz MKJMAQXOJYTRED-JOCHJYFZSA-N 1 0 483.709 2.626 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC001296131559 1064226556 /nfs/dbraw/zinc/22/65/56/1064226556.db2.gz LRZAFTBSIQVVAD-IBGZPJMESA-N 1 0 458.655 2.752 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC001296131986 1064227971 /nfs/dbraw/zinc/22/79/71/1064227971.db2.gz PHLRCKKXEUUTSK-QHCPKHFHSA-N 1 0 495.716 2.784 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132214 1064228775 /nfs/dbraw/zinc/22/87/75/1064228775.db2.gz PSAWOOKZAUQXGK-FDDCHVKYSA-N 1 0 495.594 2.896 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccccc2C)CC1 ZINC001296132528 1064230296 /nfs/dbraw/zinc/23/02/96/1064230296.db2.gz RECSQLBOLZXTAM-YPAWHYETSA-N 1 0 488.702 2.712 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291732296 1064230689 /nfs/dbraw/zinc/23/06/89/1064230689.db2.gz IRYAUOMTYBLUFD-IUKKYPGJSA-N 1 0 450.628 2.899 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296132635 1064231134 /nfs/dbraw/zinc/23/11/34/1064231134.db2.gz CGIPUOCPSBWRDX-XZOQPEGZSA-N 1 0 497.688 2.557 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296132698 1064231560 /nfs/dbraw/zinc/23/15/60/1064231560.db2.gz VBUMWXPWASBIQY-RNHFSVANSA-N 1 0 475.682 2.606 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132786 1064231633 /nfs/dbraw/zinc/23/16/33/1064231633.db2.gz RTODUPXOLJHQKH-JXFKEZNVSA-N 1 0 478.016 2.684 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296133592 1064234063 /nfs/dbraw/zinc/23/40/63/1064234063.db2.gz JKANICGOYDVWGX-QFIPXVFZSA-N 1 0 499.704 2.851 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296134252 1064235272 /nfs/dbraw/zinc/23/52/72/1064235272.db2.gz XMYLWBHHCBIKOJ-KRWDZBQOSA-N 1 0 475.579 2.594 20 0 JFADRO CC[C@H](C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001291754470 1064236593 /nfs/dbraw/zinc/23/65/93/1064236593.db2.gz QYJWAKDRTOCMLC-ZCNNSNEGSA-N 1 0 484.711 2.604 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135133 1064238451 /nfs/dbraw/zinc/23/84/51/1064238451.db2.gz WMBLJYMYDCCQCH-NQIIRXRSSA-N 1 0 457.671 2.651 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296135207 1064238778 /nfs/dbraw/zinc/23/87/78/1064238778.db2.gz XFPJHMAXPBXRBQ-OAQYLSRUSA-N 1 0 484.645 2.581 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296135266 1064239243 /nfs/dbraw/zinc/23/92/43/1064239243.db2.gz XRVRAJIAARUNKW-GUDVDZBRSA-N 1 0 491.731 2.626 20 0 JFADRO 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CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001291804230 1064320359 /nfs/dbraw/zinc/32/03/59/1064320359.db2.gz PCSTVQLZDVXPOM-OTWHNJEPSA-N 1 0 470.618 2.940 20 0 JFADRO CCc1ccccc1-n1cnnc1SCC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC001296182321 1064322406 /nfs/dbraw/zinc/32/24/06/1064322406.db2.gz CLRHNAUTNKFOMZ-UHFFFAOYSA-N 1 0 456.660 2.798 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001296182397 1064323027 /nfs/dbraw/zinc/32/30/27/1064323027.db2.gz RWJWZLSOFBSONV-FHWLQOOXSA-N 1 0 488.599 2.807 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001291806045 1064326492 /nfs/dbraw/zinc/32/64/92/1064326492.db2.gz YRFAFVDLSVZWDT-OKZBNKHCSA-N 1 0 456.591 2.898 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCSC(F)(F)F)C2)CC1 ZINC001296183055 1064326656 /nfs/dbraw/zinc/32/66/56/1064326656.db2.gz YQBCWLZBIXKHCM-GOSISDBHSA-N 1 0 486.612 2.609 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183808 1064329641 /nfs/dbraw/zinc/32/96/41/1064329641.db2.gz GHZRGAXCAGADIE-VQTJNVASSA-N 1 0 477.698 2.990 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001296184084 1064331108 /nfs/dbraw/zinc/33/11/08/1064331108.db2.gz IVGBQCJRGDWXBC-QZTJIDSGSA-N 1 0 492.043 2.678 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296184316 1064331770 /nfs/dbraw/zinc/33/17/70/1064331770.db2.gz JOQPBPRIHJHELC-SLFFLAALSA-N 1 0 486.690 2.529 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC(Nc3cc(OC)cc(OC)c3)CC2)CC1 ZINC001296186586 1064334330 /nfs/dbraw/zinc/33/43/30/1064334330.db2.gz WNSLSMDWDXQQJM-HXUWFJFHSA-N 1 0 485.677 2.958 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190054 1064336939 /nfs/dbraw/zinc/33/69/39/1064336939.db2.gz BHZFOPVYDKCCGU-SFTDATJTSA-N 1 0 488.681 2.835 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190365 1064337977 /nfs/dbraw/zinc/33/79/77/1064337977.db2.gz CPLOLIXWMVTKGT-MSOLQXFVSA-N 1 0 456.557 2.754 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296190390 1064338512 /nfs/dbraw/zinc/33/85/12/1064338512.db2.gz CUWFZPCVXIJVIY-QFIPXVFZSA-N 1 0 473.710 2.732 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291812493 1064339539 /nfs/dbraw/zinc/33/95/39/1064339539.db2.gz QLCUKITUJAVNNT-MOPGFXCFSA-N 1 0 458.582 2.690 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cnccn2)CC1 ZINC001296191228 1064341164 /nfs/dbraw/zinc/34/11/64/1064341164.db2.gz JCWZQUFCVSWCBD-OAQYLSRUSA-N 1 0 462.646 2.877 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001296191523 1064341841 /nfs/dbraw/zinc/34/18/41/1064341841.db2.gz BDYOUKMIABCGQA-UXHICEINSA-N 1 0 488.080 2.835 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296191512 1064341936 /nfs/dbraw/zinc/34/19/36/1064341936.db2.gz JDNNIXLHYJCPPY-HXUWFJFHSA-N 1 0 468.625 2.652 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCC(F)(F)F)CC1 ZINC001296191561 1064342013 /nfs/dbraw/zinc/34/20/13/1064342013.db2.gz JMGBKZJVLCTLMC-SFHVURJKSA-N 1 0 453.557 2.926 20 0 JFADRO CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001291814375 1064342728 /nfs/dbraw/zinc/34/27/28/1064342728.db2.gz IAPXPSBGIJVQRF-LEWJYISDSA-N 1 0 451.633 2.933 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001291815613 1064344626 /nfs/dbraw/zinc/34/46/26/1064344626.db2.gz ABCSETFBYPVQFY-CTNGQTDRSA-N 1 0 472.609 2.938 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296192305 1064344687 /nfs/dbraw/zinc/34/46/87/1064344687.db2.gz FBKGXHVTRXLDAV-HXUWFJFHSA-N 1 0 491.631 2.614 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296192905 1064348052 /nfs/dbraw/zinc/34/80/52/1064348052.db2.gz GWEOMNSFJBJSAC-UEOMBKFZSA-N 1 0 462.683 2.902 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296193145 1064348621 /nfs/dbraw/zinc/34/86/21/1064348621.db2.gz HPTXXCPYZNMPFW-SFHVURJKSA-N 1 0 481.567 2.507 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193349 1064349561 /nfs/dbraw/zinc/34/95/61/1064349561.db2.gz IKEMZKDDJBZGJZ-AZUAARDMSA-N 1 0 458.655 2.925 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296193368 1064350340 /nfs/dbraw/zinc/35/03/40/1064350340.db2.gz IMNJPPWZXZBLQL-QPPBQGQZSA-N 1 0 497.688 2.772 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC001296193990 1064353429 /nfs/dbraw/zinc/35/34/29/1064353429.db2.gz LVHKAHFEIILILO-QFIPXVFZSA-N 1 0 472.613 2.544 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194339 1064354660 /nfs/dbraw/zinc/35/46/60/1064354660.db2.gz RIFHOEZOSIXMOO-RTWAWAEBSA-N 1 0 489.709 2.950 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296194130 1064354699 /nfs/dbraw/zinc/35/46/99/1064354699.db2.gz LSYWRIARCCTCLM-UNMCSNQZSA-N 1 0 486.661 2.851 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001296194344 1064355299 /nfs/dbraw/zinc/35/52/99/1064355299.db2.gz RKYKWJWEYVKLLC-IFMALSPDSA-N 1 0 456.683 2.998 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296195221 1064359806 /nfs/dbraw/zinc/35/98/06/1064359806.db2.gz OYJKNAUCDODKJC-QGZVFWFLSA-N 1 0 482.551 2.988 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296195666 1064362741 /nfs/dbraw/zinc/36/27/41/1064362741.db2.gz XBGQBYCMADEBJA-HSZRJFAPSA-N 1 0 497.688 2.615 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296196089 1064364797 /nfs/dbraw/zinc/36/47/97/1064364797.db2.gz RVWOUTGGARUHIA-OAQYLSRUSA-N 1 0 498.676 2.671 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196368 1064366532 /nfs/dbraw/zinc/36/65/32/1064366532.db2.gz SBIYNAURZJDMHW-SIKLNZKXSA-N 1 0 471.698 2.899 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196563 1064367919 /nfs/dbraw/zinc/36/79/19/1064367919.db2.gz USVKFNBIDZZDQG-NSHGMRRFSA-N 1 0 483.583 2.713 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Nc3ccn(C)n3)nnc2C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC001296196916 1064370376 /nfs/dbraw/zinc/37/03/76/1064370376.db2.gz VVRIBQQGQQGOPB-SFHVURJKSA-N 1 0 479.633 2.898 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001296197102 1064372741 /nfs/dbraw/zinc/37/27/41/1064372741.db2.gz TZTCDSNSIQLOQS-QHCPKHFHSA-N 1 0 496.704 2.807 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296197444 1064373504 /nfs/dbraw/zinc/37/35/04/1064373504.db2.gz VNAPAGOIWNWOOB-GOSISDBHSA-N 1 0 480.455 2.679 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001296197429 1064374178 /nfs/dbraw/zinc/37/41/78/1064374178.db2.gz YPDBJQGCNYNKQL-QFIPXVFZSA-N 1 0 457.667 2.724 20 0 JFADRO Cc1cc(Br)cn2cc(CCNC(=O)c3ccnc(N4CC[NH+](C)CC4)c3)nc12 ZINC001296199908 1064375004 /nfs/dbraw/zinc/37/50/04/1064375004.db2.gz KCABYGFSCCYSAL-UHFFFAOYSA-N 1 0 457.376 2.525 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296203736 1064382188 /nfs/dbraw/zinc/38/21/88/1064382188.db2.gz OGHPCWHQMXSYTF-DEOSSOPVSA-N 1 0 454.623 2.579 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203841 1064384051 /nfs/dbraw/zinc/38/40/51/1064384051.db2.gz PUZIXHZKBKYSNQ-OAQYLSRUSA-N 1 0 475.588 2.562 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001296204419 1064386277 /nfs/dbraw/zinc/38/62/77/1064386277.db2.gz VWUOINPIPTWAHC-IRLDBZIGSA-N 1 0 471.625 2.969 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296205198 1064389359 /nfs/dbraw/zinc/38/93/59/1064389359.db2.gz YHNSSNPBZBYRHF-CTNGQTDRSA-N 1 0 475.682 2.923 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2scnc2C)CC1 ZINC001296205187 1064389501 /nfs/dbraw/zinc/38/95/01/1064389501.db2.gz YCRGPCWHPUYAIA-FQEVSTJZSA-N 1 0 461.680 2.991 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001291830323 1064390061 /nfs/dbraw/zinc/39/00/61/1064390061.db2.gz SYNWCSAUCFYDKY-OAQYLSRUSA-N 1 0 467.662 2.657 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001291830730 1064390789 /nfs/dbraw/zinc/39/07/89/1064390789.db2.gz XMWRTMMAHSEUFZ-SFTDATJTSA-N 1 0 461.699 2.734 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205564 1064390927 /nfs/dbraw/zinc/39/09/27/1064390927.db2.gz WPAAZGRLZPGGLA-GHTZIAJQSA-N 1 0 457.598 2.593 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCS(=O)CC2)CC1 ZINC001296205463 1064391205 /nfs/dbraw/zinc/39/12/05/1064391205.db2.gz ABEMLHVIYCQYRD-UHFFFAOYSA-N 1 0 485.485 2.848 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291831124 1064391522 /nfs/dbraw/zinc/39/15/22/1064391522.db2.gz ZUMSNZOKKJPXAA-BHIFYINESA-N 1 0 461.699 2.949 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296205844 1064391859 /nfs/dbraw/zinc/39/18/59/1064391859.db2.gz ZOFSNGGLWWQMIX-UHFFFAOYSA-N 1 0 467.540 2.649 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296205767 1064391933 /nfs/dbraw/zinc/39/19/33/1064391933.db2.gz YPNRVFNJINIKNM-IBGZPJMESA-N 1 0 461.655 2.534 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@H](C)C2)CC1 ZINC001296205897 1064392499 /nfs/dbraw/zinc/39/24/99/1064392499.db2.gz FOSBGWZFWIXLCF-IBGZPJMESA-N 1 0 472.634 2.845 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296205930 1064392753 /nfs/dbraw/zinc/39/27/53/1064392753.db2.gz GQZGCENKHJLAMW-HXUWFJFHSA-N 1 0 472.634 2.605 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296206799 1064396365 /nfs/dbraw/zinc/39/63/65/1064396365.db2.gz SUUSSEZYNXBJFA-IBGZPJMESA-N 1 0 495.093 2.640 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001296207287 1064397321 /nfs/dbraw/zinc/39/73/21/1064397321.db2.gz WIPWZOQAGBCZQC-VQTJNVASSA-N 1 0 474.675 2.611 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)s3)nnc2N2CCOCC2)CC1 ZINC001296207597 1064398752 /nfs/dbraw/zinc/39/87/52/1064398752.db2.gz ZFZXAGZOURNBKT-UHFFFAOYSA-N 1 0 469.453 2.633 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OCc3ccncc3)cc2)c1 ZINC001296209670 1064399123 /nfs/dbraw/zinc/39/91/23/1064399123.db2.gz LBSIVULSRUTLNO-UHFFFAOYSA-N 1 0 454.552 2.753 20 0 JFADRO CN(c1ccccc1)c1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)cn1 ZINC001296209644 1064399319 /nfs/dbraw/zinc/39/93/19/1064399319.db2.gz KRSPBKVJUZZMBP-UHFFFAOYSA-N 1 0 453.568 2.942 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001296210308 1064400856 /nfs/dbraw/zinc/40/08/56/1064400856.db2.gz DWYXMVQKDYGKEJ-JOCHJYFZSA-N 1 0 475.726 2.883 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001296210313 1064400873 /nfs/dbraw/zinc/40/08/73/1064400873.db2.gz DWYXMVQKDYGKEJ-QFIPXVFZSA-N 1 0 475.726 2.883 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001291833649 1064402611 /nfs/dbraw/zinc/40/26/11/1064402611.db2.gz NHOYFBRIPRXWPC-VQTJNVASSA-N 1 0 471.650 2.615 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001291833648 1064402671 /nfs/dbraw/zinc/40/26/71/1064402671.db2.gz NHOYFBRIPRXWPC-UXHICEINSA-N 1 0 471.650 2.615 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296212090 1064403609 /nfs/dbraw/zinc/40/36/09/1064403609.db2.gz UWUFREFKLKYQQW-OAQYLSRUSA-N 1 0 477.698 2.998 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001296214863 1064415020 /nfs/dbraw/zinc/41/50/20/1064415020.db2.gz PHZBORAYELTXGD-UHFFFAOYSA-N 1 0 459.683 2.585 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296214852 1064415029 /nfs/dbraw/zinc/41/50/29/1064415029.db2.gz PEINZEIRFWGXLN-OFNKIYASSA-N 1 0 474.625 2.885 20 0 JFADRO CCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H](F)COC)c2ccccc2c1=O ZINC001296219105 1064431632 /nfs/dbraw/zinc/43/16/32/1064431632.db2.gz HFQPOAVFAWHBEP-QGZVFWFLSA-N 1 0 471.581 2.580 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001296229267 1064462574 /nfs/dbraw/zinc/46/25/74/1064462574.db2.gz VWGJDUIYWQNKCG-UHFFFAOYSA-N 1 0 458.607 2.557 20 0 JFADRO Cc1nnc(Cn2nnc(C(=O)N[C@@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)c2C)o1 ZINC001296229991 1064464133 /nfs/dbraw/zinc/46/41/33/1064464133.db2.gz RHXLWBXPZFXXKZ-FQEVSTJZSA-N 1 0 459.501 2.950 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001296231690 1064467195 /nfs/dbraw/zinc/46/71/95/1064467195.db2.gz JQYJLWHUFKSWSD-UHFFFAOYSA-N 1 0 490.052 2.704 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291858336 1064467828 /nfs/dbraw/zinc/46/78/28/1064467828.db2.gz SBHFAJZDVBZTGO-FPGHNAPASA-N 1 0 456.660 2.924 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291859113 1064468417 /nfs/dbraw/zinc/46/84/17/1064468417.db2.gz WSWQSTILMABJEN-MQSCRBSSSA-N 1 0 467.662 2.513 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296235128 1064482357 /nfs/dbraw/zinc/48/23/57/1064482357.db2.gz YVUSREPFOMINDQ-OAQYLSRUSA-N 1 0 478.645 2.799 20 0 JFADRO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC001291870418 1064482920 /nfs/dbraw/zinc/48/29/20/1064482920.db2.gz VFRZKFVNASPIGI-YKSBVNFPSA-N 1 0 468.646 2.893 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001296239431 1064485106 /nfs/dbraw/zinc/48/51/06/1064485106.db2.gz JDWKQSTZXBFYFI-FCEUIQTBSA-N 1 0 495.672 2.881 20 0 JFADRO CC[C@H](c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001291873576 1064487347 /nfs/dbraw/zinc/48/73/47/1064487347.db2.gz HFQNMJSPWBTSRC-DEOSSOPVSA-N 1 0 481.689 2.903 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291878138 1064499900 /nfs/dbraw/zinc/49/99/00/1064499900.db2.gz WNCUCRLXPZYTEH-RTWAWAEBSA-N 1 0 456.660 2.831 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)N1CCOCC1)c1ccccc1 ZINC001291881152 1064503345 /nfs/dbraw/zinc/50/33/45/1064503345.db2.gz LYFSMVUUDIRLOK-REWPJTCUSA-N 1 0 454.619 2.599 20 0 JFADRO CC[C@@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001291887989 1064510898 /nfs/dbraw/zinc/51/08/98/1064510898.db2.gz MCJMILUXFMDWGP-SIKLNZKXSA-N 1 0 474.675 2.774 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889230 1064514614 /nfs/dbraw/zinc/51/46/14/1064514614.db2.gz ZXNXGECHGXRWIU-WIOPSUGQSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001291889668 1064514824 /nfs/dbraw/zinc/51/48/24/1064514824.db2.gz UEGXOSIJZFQBQP-PKTZIBPZSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291890963 1064516180 /nfs/dbraw/zinc/51/61/80/1064516180.db2.gz ZDNVYQTUIWWRDJ-BWKNWUBXSA-N 1 0 486.686 2.552 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296253579 1064516329 /nfs/dbraw/zinc/51/63/29/1064516329.db2.gz AIFYSAQYTWYITD-XUVXKRRUSA-N 1 0 478.682 2.516 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001296255742 1064518195 /nfs/dbraw/zinc/51/81/95/1064518195.db2.gz PIKZDYGQYHHQME-OAQYLSRUSA-N 1 0 476.666 2.621 20 0 JFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC001296256396 1064520390 /nfs/dbraw/zinc/52/03/90/1064520390.db2.gz BPKYVHYKQHCPGM-UHFFFAOYSA-N 1 0 451.354 2.886 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001291894437 1064524213 /nfs/dbraw/zinc/52/42/13/1064524213.db2.gz PZVMSXDSCYQIOC-GMAHTHKFSA-N 1 0 468.646 2.893 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@]1(O)CCO[C@@H]1C)c1ccccc1 ZINC001291895410 1064526170 /nfs/dbraw/zinc/52/61/70/1064526170.db2.gz VWNSDLJYUDDEPY-HUBRGWSESA-N 1 0 471.646 2.907 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895907 1064527498 /nfs/dbraw/zinc/52/74/98/1064527498.db2.gz ZKNXOLDYYPRKOG-IEBWSBKVSA-N 1 0 482.551 2.655 20 0 JFADRO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904481 1064535187 /nfs/dbraw/zinc/53/51/87/1064535187.db2.gz PRMZDBDXYXLHRG-ONTLXTELSA-N 1 0 482.673 2.970 20 0 JFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 ZINC001291920926 1064542072 /nfs/dbraw/zinc/54/20/72/1064542072.db2.gz UTNZYFPTHGGDOS-MRXNPFEDSA-N 1 0 455.563 2.642 20 0 JFADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)OC ZINC001291923916 1064544960 /nfs/dbraw/zinc/54/49/60/1064544960.db2.gz SWIBMJWKEWKSLK-NRFANRHFSA-N 1 0 473.666 2.710 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001291925253 1064545698 /nfs/dbraw/zinc/54/56/98/1064545698.db2.gz GOJYIQOIJJYTDN-LJQANCHMSA-N 1 0 489.665 2.845 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001296286783 1064558508 /nfs/dbraw/zinc/55/85/08/1064558508.db2.gz OBRSAEBKZPHTML-GJZUVCINSA-N 1 0 499.729 2.515 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296287253 1064559536 /nfs/dbraw/zinc/55/95/36/1064559536.db2.gz SGOBKGFRTDJXFI-UPVQGACJSA-N 1 0 481.689 2.810 20 0 JFADRO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291945580 1064560427 /nfs/dbraw/zinc/56/04/27/1064560427.db2.gz MIPQXQPCXAXSDN-NNMXDRDESA-N 1 0 459.612 2.643 20 0 JFADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC001291948697 1064560914 /nfs/dbraw/zinc/56/09/14/1064560914.db2.gz JURZPYYJYOKZNZ-WMZHIEFXSA-N 1 0 459.612 2.549 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001296288974 1064562815 /nfs/dbraw/zinc/56/28/15/1064562815.db2.gz OBUNCDSLCQRNCC-UHFFFAOYSA-N 1 0 493.656 2.993 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+](C)C ZINC001291951204 1064562912 /nfs/dbraw/zinc/56/29/12/1064562912.db2.gz GVQZVGWRFFPOAY-KRWDZBQOSA-N 1 0 465.046 2.904 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001296289252 1064563957 /nfs/dbraw/zinc/56/39/57/1064563957.db2.gz PUEQYYBGPXEBRV-JOCHJYFZSA-N 1 0 467.662 2.776 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001291951860 1064564133 /nfs/dbraw/zinc/56/41/33/1064564133.db2.gz IQNIPYGXARYMTJ-FGZHOGPDSA-N 1 0 497.692 2.776 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296289351 1064564440 /nfs/dbraw/zinc/56/44/40/1064564440.db2.gz RYMACIWUHDQOHP-NRFANRHFSA-N 1 0 485.652 2.854 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001291952553 1064565283 /nfs/dbraw/zinc/56/52/83/1064565283.db2.gz LWLUOLIFFZDQOZ-CTNGQTDRSA-N 1 0 469.634 2.825 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cc4ccccc4o3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001296290143 1064567075 /nfs/dbraw/zinc/56/70/75/1064567075.db2.gz ZBMSIZRTJKUEJC-LJQANCHMSA-N 1 0 467.618 2.680 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(OC)C1)[NH+](C)C ZINC001291954881 1064568772 /nfs/dbraw/zinc/56/87/72/1064568772.db2.gz SEEXFQXJCLFVCR-FQEVSTJZSA-N 1 0 463.648 2.940 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001291955349 1064569567 /nfs/dbraw/zinc/56/95/67/1064569567.db2.gz UVZKSXSFGGXDCR-NHCUHLMSSA-N 1 0 499.660 2.885 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001291955347 1064569651 /nfs/dbraw/zinc/56/96/51/1064569651.db2.gz UVZKSXSFGGXDCR-LEWJYISDSA-N 1 0 499.660 2.885 20 0 JFADRO CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001291956310 1064571374 /nfs/dbraw/zinc/57/13/74/1064571374.db2.gz QWNYOGOAIYGJEV-GOTSBHOMSA-N 1 0 485.677 2.868 20 0 JFADRO CC[NH+](CC)CCCC1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001296295103 1064571462 /nfs/dbraw/zinc/57/14/62/1064571462.db2.gz ZMDZEQGVWBCDTP-UHFFFAOYSA-N 1 0 452.617 2.982 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291961605 1064574233 /nfs/dbraw/zinc/57/42/33/1064574233.db2.gz LRBPWRLEAWMNDP-UXHICEINSA-N 1 0 491.658 2.706 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)[NH+](C)C ZINC001291962333 1064575609 /nfs/dbraw/zinc/57/56/09/1064575609.db2.gz FNNQXSRAYMCRHU-JOCHJYFZSA-N 1 0 497.648 2.740 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001291962722 1064576001 /nfs/dbraw/zinc/57/60/01/1064576001.db2.gz BIGOYOUVGKXOPG-IRXDYDNUSA-N 1 0 472.556 2.943 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001291962723 1064576291 /nfs/dbraw/zinc/57/62/91/1064576291.db2.gz BIGOYOUVGKXOPG-SJORKVTESA-N 1 0 472.556 2.943 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291963821 1064577535 /nfs/dbraw/zinc/57/75/35/1064577535.db2.gz STMKMOKSSMFQMZ-ICSRJNTNSA-N 1 0 450.653 2.663 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291965073 1064578506 /nfs/dbraw/zinc/57/85/06/1064578506.db2.gz OXBNLXWEOZNWHZ-URXFXBBRSA-N 1 0 483.661 2.782 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+](C)C ZINC001291965801 1064578926 /nfs/dbraw/zinc/57/89/26/1064578926.db2.gz IQTHXODTRYVWGC-XLIONFOSSA-N 1 0 481.601 2.960 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@H](C(=O)OC)C1)[NH+](C)C ZINC001291965799 1064578950 /nfs/dbraw/zinc/57/89/50/1064578950.db2.gz IQTHXODTRYVWGC-FXAWDEMLSA-N 1 0 481.601 2.960 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001291966879 1064581247 /nfs/dbraw/zinc/58/12/47/1064581247.db2.gz FIJZGGPCLQQXQZ-IPJJNNNSSA-N 1 0 470.618 2.859 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291967128 1064581938 /nfs/dbraw/zinc/58/19/38/1064581938.db2.gz GUSLJOHNIFEXTR-RTBURBONSA-N 1 0 489.583 2.813 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001291967349 1064582407 /nfs/dbraw/zinc/58/24/07/1064582407.db2.gz ICIWMEBVBMMTGY-ROUUACIJSA-N 1 0 457.710 2.878 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001296302507 1064582557 /nfs/dbraw/zinc/58/25/57/1064582557.db2.gz UKGPDLCTSLBUEO-HXUWFJFHSA-N 1 0 463.671 2.564 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001296302656 1064582613 /nfs/dbraw/zinc/58/26/13/1064582613.db2.gz QIHLLDKBPDDAES-ACRUOGEOSA-N 1 0 493.697 2.610 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCOCC1 ZINC001291967670 1064582797 /nfs/dbraw/zinc/58/27/97/1064582797.db2.gz QGNLESKUPMDASD-NHTMILBNSA-N 1 0 490.693 2.662 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291967497 1064582855 /nfs/dbraw/zinc/58/28/55/1064582855.db2.gz PGBRMLMDMDJUEU-MZKRTTBSSA-N 1 0 467.680 2.901 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291967495 1064582951 /nfs/dbraw/zinc/58/29/51/1064582951.db2.gz PGBRMLMDMDJUEU-JTAQYXEDSA-N 1 0 467.680 2.901 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001291967687 1064583127 /nfs/dbraw/zinc/58/31/27/1064583127.db2.gz QOKOAYPGMYBNBO-JOCHJYFZSA-N 1 0 453.635 2.947 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001296303083 1064583149 /nfs/dbraw/zinc/58/31/49/1064583149.db2.gz ZBFSKGVGPSQDKA-RTBURBONSA-N 1 0 473.597 2.893 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001291968517 1064584449 /nfs/dbraw/zinc/58/44/49/1064584449.db2.gz QFGIMZXKMMOCSQ-MOPGFXCFSA-N 1 0 473.670 2.765 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCOCC1)[NH+]1CCOCC1 ZINC001291968812 1064584695 /nfs/dbraw/zinc/58/46/95/1064584695.db2.gz RTLYMOMTCXNMRY-QFIPXVFZSA-N 1 0 457.619 2.851 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291969714 1064586081 /nfs/dbraw/zinc/58/60/81/1064586081.db2.gz YBCZAIKMFSJZTL-RWQQGDIJSA-N 1 0 457.710 2.877 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291972810 1064587117 /nfs/dbraw/zinc/58/71/17/1064587117.db2.gz DAPSWYQQVISNLU-LEWJYISDSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291973029 1064587383 /nfs/dbraw/zinc/58/73/83/1064587383.db2.gz DTYSXJLGRKTIOT-URXFXBBRSA-N 1 0 491.706 2.521 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001291973058 1064587893 /nfs/dbraw/zinc/58/78/93/1064587893.db2.gz FEOHXRYSERKAPK-JOCHJYFZSA-N 1 0 453.635 2.954 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001296307430 1064588103 /nfs/dbraw/zinc/58/81/03/1064588103.db2.gz HVMBOHUKJHZUHG-UHFFFAOYSA-N 1 0 461.014 2.721 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001296308286 1064589179 /nfs/dbraw/zinc/58/91/79/1064589179.db2.gz WCHYESIDDKCGCR-UHFFFAOYSA-N 1 0 485.633 2.688 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+]1CCOCC1 ZINC001291974387 1064589277 /nfs/dbraw/zinc/58/92/77/1064589277.db2.gz NJBOGGPZQJGZFJ-JOCHJYFZSA-N 1 0 460.667 2.672 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001296309959 1064590687 /nfs/dbraw/zinc/59/06/87/1064590687.db2.gz JVJRSQHANCAJQB-FQEVSTJZSA-N 1 0 456.639 2.503 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291975791 1064591617 /nfs/dbraw/zinc/59/16/17/1064591617.db2.gz ZHGDHHVJKHKLPM-RTWAWAEBSA-N 1 0 487.674 2.506 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)on1 ZINC001291976757 1064592973 /nfs/dbraw/zinc/59/29/73/1064592973.db2.gz IUCLTKLRDMJNGY-RYRKJORJSA-N 1 0 479.651 2.501 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001291978592 1064594063 /nfs/dbraw/zinc/59/40/63/1064594063.db2.gz NHEMRGJNOPPSJQ-FUPPJEDESA-N 1 0 492.709 2.858 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1)[NH+](C)C ZINC001291979423 1064594427 /nfs/dbraw/zinc/59/44/27/1064594427.db2.gz RXOAZLUMPSNNII-PQNGQFLHSA-N 1 0 459.639 2.982 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001296316747 1064597911 /nfs/dbraw/zinc/59/79/11/1064597911.db2.gz ASDGQMAMCLKTEE-UHFFFAOYSA-N 1 0 459.664 2.904 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001296319852 1064602629 /nfs/dbraw/zinc/60/26/29/1064602629.db2.gz MXJNTUOROHPCQZ-UHFFFAOYSA-N 1 0 471.650 2.913 20 0 JFADRO Cc1cc(=O)c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)nn1-c1ccccc1C(F)(F)F ZINC001296323240 1064605890 /nfs/dbraw/zinc/60/58/90/1064605890.db2.gz NYTJDFYNJNOYNW-INIZCTEOSA-N 1 0 452.477 2.790 20 0 JFADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001296324090 1064607368 /nfs/dbraw/zinc/60/73/68/1064607368.db2.gz WEISLJAHSWAYAK-HXUWFJFHSA-N 1 0 459.612 2.704 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COCC)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001296324561 1064609945 /nfs/dbraw/zinc/60/99/45/1064609945.db2.gz MEALOAZAHDOZJN-UHFFFAOYSA-N 1 0 457.623 2.555 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001296324783 1064612238 /nfs/dbraw/zinc/61/22/38/1064612238.db2.gz CBRMINKQEBCIOA-CEXWTWQISA-N 1 0 494.637 2.560 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001296325045 1064614161 /nfs/dbraw/zinc/61/41/61/1064614161.db2.gz SAELDFMILKMWPS-DFQSSKMNSA-N 1 0 461.655 2.531 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001296326933 1064621332 /nfs/dbraw/zinc/62/13/32/1064621332.db2.gz OGDIOVCJEDLVJU-GHTZIAJQSA-N 1 0 475.663 2.621 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)CC2CC(F)(F)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292003230 1064622423 /nfs/dbraw/zinc/62/24/23/1064622423.db2.gz BCIHADHVBWZJOB-UHFFFAOYSA-N 1 0 470.609 2.913 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001296328310 1064623279 /nfs/dbraw/zinc/62/32/79/1064623279.db2.gz BAZLFRCMJGXYDB-LAUBAEHRSA-N 1 0 460.648 2.508 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(CC)Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001292008543 1064630326 /nfs/dbraw/zinc/63/03/26/1064630326.db2.gz CKVNNWMNSKOXGP-RUZDIDTESA-N 1 0 467.618 2.771 20 0 JFADRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001292010541 1064636539 /nfs/dbraw/zinc/63/65/39/1064636539.db2.gz LMIJRKVVUSUQNQ-KSZLIROESA-N 1 0 458.607 2.893 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CC[N@H+](C)Cc1ccccc1 ZINC001292013006 1064638067 /nfs/dbraw/zinc/63/80/67/1064638067.db2.gz GXICUFBIBFIBDE-FGZHOGPDSA-N 1 0 481.645 2.576 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001292013120 1064638831 /nfs/dbraw/zinc/63/88/31/1064638831.db2.gz HZFSBXMPHNAKRD-CEWLAPEOSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(CC)CC1 ZINC001292016182 1064648594 /nfs/dbraw/zinc/64/85/94/1064648594.db2.gz DDOABSWIYACRIY-SIKLNZKXSA-N 1 0 487.693 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292023038 1064667148 /nfs/dbraw/zinc/66/71/48/1064667148.db2.gz NUJNXWFNCNKKJO-ZOBUZTSGSA-N 1 0 460.545 2.694 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1CC1(SC)CC[NH+](C)CC1 ZINC001292029543 1064683114 /nfs/dbraw/zinc/68/31/14/1064683114.db2.gz AYINMFQFZAMNSE-UFRUDQCGSA-N 1 0 478.707 2.621 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001292033785 1064692609 /nfs/dbraw/zinc/69/26/09/1064692609.db2.gz XZMVLBYRXVZYSJ-UHFFFAOYSA-N 1 0 472.556 2.742 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H]1CCCO1 ZINC001292055033 1064723149 /nfs/dbraw/zinc/72/31/49/1064723149.db2.gz FFGFIFNDIGWZIH-XQBPLPMBSA-N 1 0 476.666 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001292056177 1064726045 /nfs/dbraw/zinc/72/60/45/1064726045.db2.gz STYLUPGFZVLKHK-XMMPIXPASA-N 1 0 498.672 2.696 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1Cc1ccc(OC)nc1 ZINC001292062318 1064731266 /nfs/dbraw/zinc/73/12/66/1064731266.db2.gz PVAAPQYKXPFQOT-FQEVSTJZSA-N 1 0 455.607 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001292062564 1064732856 /nfs/dbraw/zinc/73/28/56/1064732856.db2.gz YAMHQCRFVDOBFH-HXUWFJFHSA-N 1 0 473.666 2.520 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC1(C)CC1 ZINC001292063018 1064735385 /nfs/dbraw/zinc/73/53/85/1064735385.db2.gz LAMGGHUTYKCWSR-OAQYLSRUSA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCCN1CCCCC1=O ZINC001292063485 1064737505 /nfs/dbraw/zinc/73/75/05/1064737505.db2.gz VAZKACPPHQUDNN-OAQYLSRUSA-N 1 0 473.666 2.664 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292066140 1064743268 /nfs/dbraw/zinc/74/32/68/1064743268.db2.gz KFFYDPGGAWLKNX-GOSISDBHSA-N 1 0 474.625 2.860 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292066523 1064744568 /nfs/dbraw/zinc/74/45/68/1064744568.db2.gz MLDHCVPEHNKZNO-SQJMNOBHSA-N 1 0 472.609 2.774 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072395 1064751238 /nfs/dbraw/zinc/75/12/38/1064751238.db2.gz RALXRFIMTJUAOG-PEBXRYMYSA-N 1 0 452.958 2.873 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(C)cccc3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001292073800 1064752461 /nfs/dbraw/zinc/75/24/61/1064752461.db2.gz IYKMLHGWGPXDNL-UHFFFAOYSA-N 1 0 468.646 2.914 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001292073914 1064752862 /nfs/dbraw/zinc/75/28/62/1064752862.db2.gz LBUBHQJFPNEXAZ-UHFFFAOYSA-N 1 0 477.613 2.992 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3ccccc3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001292075223 1064754945 /nfs/dbraw/zinc/75/49/45/1064754945.db2.gz MBCJDBCDVCGEQS-UHFFFAOYSA-N 1 0 454.619 2.606 20 0 JFADRO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001292077524 1064759839 /nfs/dbraw/zinc/75/98/39/1064759839.db2.gz LLTLHMMCYBQXPQ-FQEVSTJZSA-N 1 0 457.596 2.899 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001292078917 1064761616 /nfs/dbraw/zinc/76/16/16/1064761616.db2.gz MJYNLPMEITXCDJ-AABGKKOBSA-N 1 0 488.564 2.753 20 0 JFADRO 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CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001292158739 1064939654 /nfs/dbraw/zinc/93/96/54/1064939654.db2.gz FJKFHEPFWBDPJZ-WOJBJXKFSA-N 1 0 489.665 2.882 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292160760 1064943900 /nfs/dbraw/zinc/94/39/00/1064943900.db2.gz UDKRLWVHFZHVAC-VAMGGRTRSA-N 1 0 489.665 2.738 20 0 JFADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001292164875 1064951401 /nfs/dbraw/zinc/95/14/01/1064951401.db2.gz VTFTWARDGWYLAR-VXKWHMMOSA-N 1 0 453.635 2.625 20 0 JFADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001292164873 1064951513 /nfs/dbraw/zinc/95/15/13/1064951513.db2.gz VTFTWARDGWYLAR-FCHUYYIVSA-N 1 0 453.635 2.625 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCC1 ZINC001292165473 1064952325 /nfs/dbraw/zinc/95/23/25/1064952325.db2.gz VMYBWOOGWKDNEY-GGAORHGYSA-N 1 0 495.672 2.937 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170374 1064955878 /nfs/dbraw/zinc/95/58/78/1064955878.db2.gz CELKNNAWRJZEIJ-UYAOXDASSA-N 1 0 496.653 2.806 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)[NH+]1CCCC1 ZINC001292172216 1064958954 /nfs/dbraw/zinc/95/89/54/1064958954.db2.gz JPKJDNXEZFRMQK-IPMKNSEASA-N 1 0 495.719 2.912 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+]1CCCC1 ZINC001292173444 1064961634 /nfs/dbraw/zinc/96/16/34/1064961634.db2.gz HCQMAXRXZDLDKX-JTSKRJEESA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292174860 1064964504 /nfs/dbraw/zinc/96/45/04/1064964504.db2.gz ZKNCGOAGUOYKBS-XHYAQGIWSA-N 1 0 489.592 2.792 20 0 JFADRO CC[C@@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001292175301 1064964990 /nfs/dbraw/zinc/96/49/90/1064964990.db2.gz RIHFZROPIPNYDK-IBGZPJMESA-N 1 0 477.679 2.938 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292179199 1064969494 /nfs/dbraw/zinc/96/94/94/1064969494.db2.gz IQSGHFKBCADIPD-PXNSSMCTSA-N 1 0 481.066 2.943 20 0 JFADRO Cc1cc(Br)cc(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1N ZINC001292179351 1064969571 /nfs/dbraw/zinc/96/95/71/1064969571.db2.gz SFQHQLATOKUZRS-UHFFFAOYSA-N 1 0 453.425 2.896 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001292180991 1064970873 /nfs/dbraw/zinc/97/08/73/1064970873.db2.gz RHEDDPDLRKPNGJ-ZBFHGGJFSA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCOC)CC1)[NH+]1CCCC1 ZINC001292187771 1064980555 /nfs/dbraw/zinc/98/05/55/1064980555.db2.gz YJNFMZTTXYIYLX-FQEVSTJZSA-N 1 0 490.052 2.847 20 0 JFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1 ZINC001292191120 1064982466 /nfs/dbraw/zinc/98/24/66/1064982466.db2.gz DJBFBPGAHCBOJK-UHFFFAOYSA-N 1 0 456.547 2.845 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292191523 1064983373 /nfs/dbraw/zinc/98/33/73/1064983373.db2.gz HJGDWFAIGDINHI-PKOBYXMFSA-N 1 0 456.591 2.504 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292209017 1064998975 /nfs/dbraw/zinc/99/89/75/1064998975.db2.gz HIXJKULWMPDQRL-NMLBUPMWSA-N 1 0 489.665 2.843 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292209018 1064999032 /nfs/dbraw/zinc/99/90/32/1064999032.db2.gz HIXJKULWMPDQRL-WCIQWLHISA-N 1 0 489.665 2.843 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)OC ZINC001292210586 1065000559 /nfs/dbraw/zinc/00/05/59/1065000559.db2.gz DZFMXPSJYATMEA-GMAHTHKFSA-N 1 0 450.587 2.929 20 0 JFADRO CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1)OC ZINC001292222672 1065009255 /nfs/dbraw/zinc/00/92/55/1065009255.db2.gz GAKNMJAOTQYRSM-WOIUINJBSA-N 1 0 459.591 2.763 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCCC1 ZINC001292223860 1065010772 /nfs/dbraw/zinc/01/07/72/1065010772.db2.gz LPTWMCIZXJGYPJ-OTWHNJEPSA-N 1 0 496.703 2.744 20 0 JFADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001292226148 1065013625 /nfs/dbraw/zinc/01/36/25/1065013625.db2.gz UOGVJYRXZUEVNQ-VAMGGRTRSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292226993 1065014746 /nfs/dbraw/zinc/01/47/46/1065014746.db2.gz VCCGNSWGDXNQAU-FCHUYYIVSA-N 1 0 454.619 2.581 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1)[NH+]1CCCC1 ZINC001292227573 1065015420 /nfs/dbraw/zinc/01/54/20/1065015420.db2.gz YKUNBMXHKFSOEX-VQTJNVASSA-N 1 0 475.663 2.604 20 0 JFADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)[NH+]1CCCC1 ZINC001292229475 1065016474 /nfs/dbraw/zinc/01/64/74/1065016474.db2.gz KIKLZOOTYGEWPE-HXUWFJFHSA-N 1 0 456.639 2.785 20 0 JFADRO CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292229849 1065017162 /nfs/dbraw/zinc/01/71/62/1065017162.db2.gz IFUCSMAPRUJCIV-GHTZIAJQSA-N 1 0 495.093 2.867 20 0 JFADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)COC)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001292231332 1065018108 /nfs/dbraw/zinc/01/81/08/1065018108.db2.gz UFBRWLUHEIBPAN-HSZRJFAPSA-N 1 0 482.673 2.999 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292235241 1065019609 /nfs/dbraw/zinc/01/96/09/1065019609.db2.gz GANFYHQOLIPXSX-LEWJYISDSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCC1 ZINC001292242402 1065024987 /nfs/dbraw/zinc/02/49/87/1065024987.db2.gz KFLMOWGSLHNYSQ-FPOVZHCZSA-N 1 0 454.619 2.613 20 0 JFADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292243250 1065025915 /nfs/dbraw/zinc/02/59/15/1065025915.db2.gz JSLWNOFYNJCGGP-TZIWHRDSSA-N 1 0 459.664 2.861 20 0 JFADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001292254761 1065037287 /nfs/dbraw/zinc/03/72/87/1065037287.db2.gz MFNQTWOIZBKNER-RBUKOAKNSA-N 1 0 457.575 2.739 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292262050 1065040831 /nfs/dbraw/zinc/04/08/31/1065040831.db2.gz KXBJQNULXXJALQ-ZCNNSNEGSA-N 1 0 489.665 2.926 20 0 JFADRO COc1cc2nc(C(=O)NC[C@H]3CCC[N@H+](Cc4ccccc4)C3)c(=O)n(C)c2cc1OC ZINC001292274596 1065051841 /nfs/dbraw/zinc/05/18/41/1065051841.db2.gz SMYPFMRPWZNBST-GOSISDBHSA-N 1 0 450.539 2.593 20 0 JFADRO CCC(O)(CC)Cn1c(-c2ccccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001292277232 1065053770 /nfs/dbraw/zinc/05/37/70/1065053770.db2.gz LQOIOXHZCDOPAB-UHFFFAOYSA-N 1 0 455.651 2.886 20 0 JFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001292278187 1065054417 /nfs/dbraw/zinc/05/44/17/1065054417.db2.gz MPSNEWPATCVCOJ-OAQYLSRUSA-N 1 0 456.344 2.664 20 0 JFADRO CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001292284095 1065057882 /nfs/dbraw/zinc/05/78/82/1065057882.db2.gz MBTCIBIADUNHPF-FQEVSTJZSA-N 1 0 459.639 2.521 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292288376 1065060697 /nfs/dbraw/zinc/06/06/97/1065060697.db2.gz AIZVVKHZHIWUCI-QFIPXVFZSA-N 1 0 490.718 2.713 20 0 JFADRO CC[C@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)O1 ZINC001292295031 1065066902 /nfs/dbraw/zinc/06/69/02/1065066902.db2.gz FEIFTNZLFFTGGO-SQJMNOBHSA-N 1 0 486.665 2.561 20 0 JFADRO CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)O1 ZINC001292298225 1065069068 /nfs/dbraw/zinc/06/90/68/1065069068.db2.gz UWCFHNPFNUEYIW-PIXQIBFHSA-N 1 0 489.709 2.759 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001292325714 1065086394 /nfs/dbraw/zinc/08/63/94/1065086394.db2.gz JKFXTPOKICGUFT-ROUUACIJSA-N 1 0 458.525 2.765 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001292333170 1065089152 /nfs/dbraw/zinc/08/91/52/1065089152.db2.gz VDVXPXVRRBJOFM-JXALWOEJSA-N 1 0 496.722 2.748 20 0 JFADRO CC[C@@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001292344878 1065093108 /nfs/dbraw/zinc/09/31/08/1065093108.db2.gz BYAXKVCYCOYPFP-XXBNENTESA-N 1 0 484.711 2.652 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001292357263 1065102076 /nfs/dbraw/zinc/10/20/76/1065102076.db2.gz SWYCLXSECQTDSI-SANMLTNESA-N 1 0 486.661 2.994 20 0 JFADRO CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001292379287 1065123864 /nfs/dbraw/zinc/12/38/64/1065123864.db2.gz KAZGSEVJPMGNTI-YADARESESA-N 1 0 461.582 2.848 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC001292421056 1065152901 /nfs/dbraw/zinc/15/29/01/1065152901.db2.gz YSNAHQJQTXLMGQ-HLLBOEOZSA-N 1 0 450.536 2.660 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C)[C@H](OC)C2)[NH+](C)C)cc1 ZINC001292455925 1065176605 /nfs/dbraw/zinc/17/66/05/1065176605.db2.gz AWHGEEDREZNOLE-AGOPTVSRSA-N 1 0 454.619 2.956 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC(N)=O)[NH+](C)C)cc1 ZINC001292456967 1065178339 /nfs/dbraw/zinc/17/83/39/1065178339.db2.gz ICNFSSWVPKEWMD-OXJNMPFZSA-N 1 0 481.601 2.571 20 0 JFADRO CCc1ccc([C@H](Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)[NH+](C)C)cc1 ZINC001292457331 1065179510 /nfs/dbraw/zinc/17/95/10/1065179510.db2.gz JYDMRGFJQYAXMV-NRFANRHFSA-N 1 0 450.591 2.577 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C(=O)OC)CC2)[NH+](C)C)cc1 ZINC001292457695 1065179618 /nfs/dbraw/zinc/17/96/18/1065179618.db2.gz LCPWYGWVWUVADS-QFIPXVFZSA-N 1 0 482.629 2.769 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C)nnc2N2CCCN(Cc3noc(C)n3)CC2)[NH+](C)C)cc1 ZINC001292457924 1065180277 /nfs/dbraw/zinc/18/02/77/1065180277.db2.gz LQULRKPEQJFWNO-JOCHJYFZSA-N 1 0 452.607 2.856 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC001292458326 1065181555 /nfs/dbraw/zinc/18/15/55/1065181555.db2.gz ORTVHVCQHKEMCU-NNWRFLSQSA-N 1 0 454.619 2.957 20 0 JFADRO CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)[NH+](C)C)cc1 ZINC001292458650 1065182995 /nfs/dbraw/zinc/18/29/95/1065182995.db2.gz AGQAGZAXRICUQE-NVQXNPDNSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001292458933 1065183633 /nfs/dbraw/zinc/18/36/33/1065183633.db2.gz SNNQUFUMWLLYNU-XUVXKRRUSA-N 1 0 456.635 2.825 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463568 1065192814 /nfs/dbraw/zinc/19/28/14/1065192814.db2.gz XJZGXIHGVLFSRH-ZJSXRUAMSA-N 1 0 481.689 2.839 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292488941 1065210652 /nfs/dbraw/zinc/21/06/52/1065210652.db2.gz UXDNFIUJXFNMTB-UQBPGWFLSA-N 1 0 454.619 2.710 20 0 JFADRO Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc4[nH]c(=O)n(CC[NH+](C)C)c4c3)CC2)c1 ZINC001292493783 1065212255 /nfs/dbraw/zinc/21/22/55/1065212255.db2.gz AALQKUWNQVDIEB-UHFFFAOYSA-N 1 0 450.543 2.602 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001292496332 1065214534 /nfs/dbraw/zinc/21/45/34/1065214534.db2.gz HPGYXBSBMVTDBZ-IBGZPJMESA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(N(CC)S(C)(=O)=O)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001292497288 1065216449 /nfs/dbraw/zinc/21/64/49/1065216449.db2.gz DTVSUAQWIMMENP-GOSISDBHSA-N 1 0 462.664 2.708 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292507357 1065225125 /nfs/dbraw/zinc/22/51/25/1065225125.db2.gz RJPWLQZBSWRAFS-QFIPXVFZSA-N 1 0 474.675 2.900 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292512931 1065231160 /nfs/dbraw/zinc/23/11/60/1065231160.db2.gz XPSQVDGQFNITGH-GMAHTHKFSA-N 1 0 457.619 2.718 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCC(=O)N[C@@H](C)CC)cc1 ZINC001292513200 1065232005 /nfs/dbraw/zinc/23/20/05/1065232005.db2.gz AGZRBOAYPRXGAY-NZQKXSOJSA-N 1 0 495.672 2.555 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCCOC(F)F)cc1 ZINC001292513187 1065232242 /nfs/dbraw/zinc/23/22/42/1065232242.db2.gz ACTNIMJNRSVFIX-HXUWFJFHSA-N 1 0 476.572 2.880 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292520464 1065245308 /nfs/dbraw/zinc/24/53/08/1065245308.db2.gz KFLXTPCALXDMDU-BWKNWUBXSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCC(=O)NC)cc1 ZINC001292520748 1065246428 /nfs/dbraw/zinc/24/64/28/1065246428.db2.gz STFVVNYAJHDLQS-OYRHEFFESA-N 1 0 467.662 2.638 20 0 JFADRO O=C(NC[C@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523696 1065248262 /nfs/dbraw/zinc/24/82/62/1065248262.db2.gz JMDRWAJZGOZSDB-NLFFAJNJSA-N 1 0 454.546 2.823 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001292524950 1065250342 /nfs/dbraw/zinc/25/03/42/1065250342.db2.gz AKODPTAMTVXOPU-XZOQPEGZSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001292526017 1065251885 /nfs/dbraw/zinc/25/18/85/1065251885.db2.gz VFFIUCJKABZLEC-DHIUTWEWSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001292529026 1065254745 /nfs/dbraw/zinc/25/47/45/1065254745.db2.gz SZVRJZOSGFZXPA-RDPSFJRHSA-N 1 0 468.646 2.971 20 0 JFADRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)C2=O ZINC001292541766 1065263852 /nfs/dbraw/zinc/26/38/52/1065263852.db2.gz WZJBKTRNDDXYND-VSVJTWGKSA-N 1 0 454.615 2.900 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[N@H+](C)C(C)C ZINC001292577990 1065289656 /nfs/dbraw/zinc/28/96/56/1065289656.db2.gz KAEFIWHZRTWCAP-UHFFFAOYSA-N 1 0 481.601 2.983 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001292578198 1065290026 /nfs/dbraw/zinc/29/00/26/1065290026.db2.gz FRCGATXCPSWDRN-UHFFFAOYSA-N 1 0 497.688 2.799 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001292590164 1065307511 /nfs/dbraw/zinc/30/75/11/1065307511.db2.gz GHSJVVBFUKOXGA-HXUWFJFHSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](C)[NH+](C)C ZINC001292593955 1065314654 /nfs/dbraw/zinc/31/46/54/1065314654.db2.gz PWJVLTDMKYUWTD-SJLPKXTDSA-N 1 0 482.551 2.874 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292608040 1065334389 /nfs/dbraw/zinc/33/43/89/1065334389.db2.gz AIPFRFPLOWEPPP-JOCHJYFZSA-N 1 0 497.688 2.504 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001292609370 1065335407 /nfs/dbraw/zinc/33/54/07/1065335407.db2.gz AIVOWJHPIUOOJF-UHFFFAOYSA-N 1 0 454.619 2.866 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1([NH+](C)C)CCCC1 ZINC001292614590 1065344988 /nfs/dbraw/zinc/34/49/88/1065344988.db2.gz GMXFDMWFISWJNU-IBGZPJMESA-N 1 0 454.619 2.961 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292616324 1065350620 /nfs/dbraw/zinc/35/06/20/1065350620.db2.gz TTWODGWIWVDDLE-UYAOXDASSA-N 1 0 466.586 2.982 20 0 JFADRO CCc1cnc(CN(C)c2nnc(-c3cnccn3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001292639869 1065375855 /nfs/dbraw/zinc/37/58/55/1065375855.db2.gz NMFZBSYAZHROHN-UHFFFAOYSA-N 1 0 456.620 2.626 20 0 JFADRO CCc1cnc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)s1 ZINC001292642559 1065378709 /nfs/dbraw/zinc/37/87/09/1065378709.db2.gz WONITJYPLDNYND-MSOLQXFVSA-N 1 0 480.704 2.956 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC001292660241 1065395828 /nfs/dbraw/zinc/39/58/28/1065395828.db2.gz FETUBQXOPOWGTB-QZTJIDSGSA-N 1 0 454.537 2.971 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)s1 ZINC001292670686 1065410591 /nfs/dbraw/zinc/41/05/91/1065410591.db2.gz UCFQADWDDJSVNC-CVEARBPZSA-N 1 0 483.708 2.897 20 0 JFADRO CCc1nc(CCn2c(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)nnc2C(C)(C)C)cs1 ZINC001292720254 1065480032 /nfs/dbraw/zinc/48/00/32/1065480032.db2.gz FFSBUCQMMQYMKP-SFHVURJKSA-N 1 0 459.664 2.580 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001292755930 1065511492 /nfs/dbraw/zinc/51/14/92/1065511492.db2.gz DWANKYMALGHWQZ-LJQANCHMSA-N 1 0 470.666 2.635 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(-c2cnccn2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001292761706 1065518139 /nfs/dbraw/zinc/51/81/39/1065518139.db2.gz BXKOREOYBQGUQL-UHFFFAOYSA-N 1 0 451.623 2.952 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001292768668 1065523401 /nfs/dbraw/zinc/52/34/01/1065523401.db2.gz DMTAPZSCNPYBJK-RTBURBONSA-N 1 0 493.100 2.784 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001292769112 1065524980 /nfs/dbraw/zinc/52/49/80/1065524980.db2.gz ZKANOULUZCAJFS-BGYRXZFFSA-N 1 0 456.683 2.742 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001292769420 1065526371 /nfs/dbraw/zinc/52/63/71/1065526371.db2.gz WPFSUMIMZQWLGK-QGZVFWFLSA-N 1 0 474.057 2.505 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(CC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001292774191 1065531750 /nfs/dbraw/zinc/53/17/50/1065531750.db2.gz MLNAIROPXXMZSU-KDURUIRLSA-N 1 0 493.100 2.611 20 0 JFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001292810392 1065562853 /nfs/dbraw/zinc/56/28/53/1065562853.db2.gz OLDBOTMFMXLWQA-JOCHJYFZSA-N 1 0 452.958 2.969 20 0 JFADRO COC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001292850558 1065575600 /nfs/dbraw/zinc/57/56/00/1065575600.db2.gz MQJCREBAXWDFFU-HYBUGGRVSA-N 1 0 453.624 2.754 20 0 JFADRO COC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001292850560 1065575643 /nfs/dbraw/zinc/57/56/43/1065575643.db2.gz MQJCREBAXWDFFU-YKSBVNFPSA-N 1 0 453.624 2.754 20 0 JFADRO CCc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001292850117 1065575658 /nfs/dbraw/zinc/57/56/58/1065575658.db2.gz WKDZGGCKZCANOY-SFHVURJKSA-N 1 0 473.576 2.544 20 0 JFADRO CCc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCNC(=O)c1cccs1 ZINC001292863416 1065578584 /nfs/dbraw/zinc/57/85/84/1065578584.db2.gz IYILBJRTXNDLKF-UHFFFAOYSA-N 1 0 467.643 2.590 20 0 JFADRO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292875014 1065582063 /nfs/dbraw/zinc/58/20/63/1065582063.db2.gz USLPIVOQRSWONX-SFHVURJKSA-N 1 0 452.607 2.542 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1ccccc1C ZINC001292892391 1065589648 /nfs/dbraw/zinc/58/96/48/1065589648.db2.gz CTKSBHYUTTZFJP-UNMCSNQZSA-N 1 0 454.619 2.607 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001292892768 1065591404 /nfs/dbraw/zinc/59/14/04/1065591404.db2.gz HZRKWWNRJMDIDF-YZUZCNPQSA-N 1 0 467.662 2.744 20 0 JFADRO CCN(CC)S(=O)(=O)c1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)ccc1C ZINC001292896019 1065596787 /nfs/dbraw/zinc/59/67/87/1065596787.db2.gz DVDDXGPEMCXESW-UHFFFAOYSA-N 1 0 451.633 2.790 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001292921782 1065607056 /nfs/dbraw/zinc/60/70/56/1065607056.db2.gz COFBOSSOUHJOGP-HXUWFJFHSA-N 1 0 458.607 2.592 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001292924748 1065616813 /nfs/dbraw/zinc/61/68/13/1065616813.db2.gz PBKBZKNGLYNVOY-UHFFFAOYSA-N 1 0 482.673 2.935 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1nc(C)c(C)s1 ZINC001292924721 1065616819 /nfs/dbraw/zinc/61/68/19/1065616819.db2.gz OKBSOFZXBIWIHY-UHFFFAOYSA-N 1 0 459.664 2.781 20 0 JFADRO CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292932625 1065622639 /nfs/dbraw/zinc/62/26/39/1065622639.db2.gz WXSJATYMLIRJMU-HSALFYBXSA-N 1 0 491.681 2.523 20 0 JFADRO CN1CC[NH+](CC2CCN(C(=O)c3cn(Cc4ccc(Cl)cc4Cl)nn3)CC2)CC1 ZINC001292942577 1065627756 /nfs/dbraw/zinc/62/77/56/1065627756.db2.gz SIBIMICVYWRQJI-UHFFFAOYSA-N 1 0 451.402 2.733 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001292951624 1065632341 /nfs/dbraw/zinc/63/23/41/1065632341.db2.gz KAYZZSIVKAKVAS-JOCHJYFZSA-N 1 0 487.718 2.976 20 0 JFADRO C[NH+]1CCN(C(C)(C)CNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292955319 1065633867 /nfs/dbraw/zinc/63/38/67/1065633867.db2.gz IIRXUYDCAUAZFF-SILNSSARSA-N 1 0 451.600 2.542 20 0 JFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001292957490 1065635247 /nfs/dbraw/zinc/63/52/47/1065635247.db2.gz APSHOBIVEULOOO-OAHLLOKOSA-N 1 0 452.372 2.777 20 0 JFADRO CCn1c(SCC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)nnc1-c1ccc(Cl)cc1 ZINC001292957555 1065635382 /nfs/dbraw/zinc/63/53/82/1065635382.db2.gz CBKQMRNYRZAGMH-INIZCTEOSA-N 1 0 451.040 2.710 20 0 JFADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC001292959006 1065636998 /nfs/dbraw/zinc/63/69/98/1065636998.db2.gz OYYRNIRAGXJFRY-XGCWNURASA-N 1 0 458.466 2.727 20 0 JFADRO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC001292959317 1065637781 /nfs/dbraw/zinc/63/77/81/1065637781.db2.gz UQSQQORJLQLYTJ-FQEVSTJZSA-N 1 0 458.628 2.515 20 0 JFADRO CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292961063 1065641114 /nfs/dbraw/zinc/64/11/14/1065641114.db2.gz RUIMDNXBDGXUHN-QFIPXVFZSA-N 1 0 470.666 2.513 20 0 JFADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001292961438 1065642898 /nfs/dbraw/zinc/64/28/98/1065642898.db2.gz ZXEINZDEHPLGCH-BGYRXZFFSA-N 1 0 468.646 2.916 20 0 JFADRO COc1ccc(C(=O)N[C@H](C(=O)NCC2CC[NH+](CCN(C)C)CC2)c2ccccc2)cc1 ZINC001292967653 1065646597 /nfs/dbraw/zinc/64/65/97/1065646597.db2.gz ZTGWUWJTYDXIFZ-DEOSSOPVSA-N 1 0 452.599 2.556 20 0 JFADRO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCC[N@@H+](C)CC3)cc2)cc1C ZINC001292968173 1065647355 /nfs/dbraw/zinc/64/73/55/1065647355.db2.gz KMSNWUVRFQIUTO-UHFFFAOYSA-N 1 0 458.628 2.862 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292978140 1065658868 /nfs/dbraw/zinc/65/88/68/1065658868.db2.gz OYRLPBKUEQITLC-JOCHJYFZSA-N 1 0 468.646 2.785 20 0 JFADRO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292980198 1065663747 /nfs/dbraw/zinc/66/37/47/1065663747.db2.gz MQNTXCINQIYNSN-JOCHJYFZSA-N 1 0 486.640 2.654 20 0 JFADRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(=O)n(CCOc2ccccc2Cl)c1 ZINC001292985123 1065668756 /nfs/dbraw/zinc/66/87/56/1065668756.db2.gz FGAYHQAVSDNNHV-FQEVSTJZSA-N 1 0 459.974 2.954 20 0 JFADRO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001292985863 1065670331 /nfs/dbraw/zinc/67/03/31/1065670331.db2.gz JCSGWDBJDOBXNF-HWBMXIPRSA-N 1 0 459.587 2.562 20 0 JFADRO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293024211 1065696963 /nfs/dbraw/zinc/69/69/63/1065696963.db2.gz ZSECVNYCBDEUAY-AABGKKOBSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293024219 1065697045 /nfs/dbraw/zinc/69/70/45/1065697045.db2.gz ZSECVNYCBDEUAY-UFYCRDLUSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001293035645 1065704589 /nfs/dbraw/zinc/70/45/89/1065704589.db2.gz AFBKIBFBGWHBMP-YDIMBITNSA-N 1 0 456.639 2.749 20 0 JFADRO CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001293036984 1065706431 /nfs/dbraw/zinc/70/64/31/1065706431.db2.gz RRWAKPIVEFELIH-PMACEKPBSA-N 1 0 480.704 2.989 20 0 JFADRO CCc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001293048430 1065711838 /nfs/dbraw/zinc/71/18/38/1065711838.db2.gz SNIBTYYQIOUZIR-PMACEKPBSA-N 1 0 454.685 2.648 20 0 JFADRO CCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001293059873 1065714824 /nfs/dbraw/zinc/71/48/24/1065714824.db2.gz HWAFXHOFWRBYFH-OAQYLSRUSA-N 1 0 463.648 2.623 20 0 JFADRO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293063971 1065717267 /nfs/dbraw/zinc/71/72/67/1065717267.db2.gz KWRSPQWRZCAQFD-XMMPIXPASA-N 1 0 451.567 2.686 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001293067786 1065719390 /nfs/dbraw/zinc/71/93/90/1065719390.db2.gz HWAXRFABRUSANT-UHFFFAOYSA-N 1 0 468.646 2.624 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001293068482 1065720499 /nfs/dbraw/zinc/72/04/99/1065720499.db2.gz QWWFKIRNBLBXTL-JOCHJYFZSA-N 1 0 460.667 2.696 20 0 JFADRO C[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)[C@@H]1CCSC1 ZINC001293074762 1065727203 /nfs/dbraw/zinc/72/72/03/1065727203.db2.gz OTDMAUIDIXPOMS-PKTZIBPZSA-N 1 0 455.599 2.875 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001293082495 1065732377 /nfs/dbraw/zinc/73/23/77/1065732377.db2.gz KBZWSKAYJHEKQB-UHFFFAOYSA-N 1 0 451.493 2.576 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293083206 1065733675 /nfs/dbraw/zinc/73/36/75/1065733675.db2.gz KEOAYUPOLZUQFP-UNMCSNQZSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001293094701 1065744290 /nfs/dbraw/zinc/74/42/90/1065744290.db2.gz NWSYPSURTGUKND-VXKWHMMOSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293095494 1065745385 /nfs/dbraw/zinc/74/53/85/1065745385.db2.gz RIWSBSOJSPQTPM-JOCHJYFZSA-N 1 0 473.710 2.732 20 0 JFADRO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001293108211 1065754543 /nfs/dbraw/zinc/75/45/43/1065754543.db2.gz FKNLBBCNTNCYSL-UHFFFAOYSA-N 1 0 483.709 2.807 20 0 JFADRO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293110922 1065756416 /nfs/dbraw/zinc/75/64/16/1065756416.db2.gz IAEPZPVYUZPKGI-MRXNPFEDSA-N 1 0 468.433 2.837 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293119774 1065768130 /nfs/dbraw/zinc/76/81/30/1065768130.db2.gz BWMBGRWLGJBZMF-QFIPXVFZSA-N 1 0 481.670 2.643 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001293121223 1065771767 /nfs/dbraw/zinc/77/17/67/1065771767.db2.gz MZDJDUITXSARRH-GGAORHGYSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001293121569 1065773296 /nfs/dbraw/zinc/77/32/96/1065773296.db2.gz RVBBCUKJKCUUQU-YADHBBJMSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001293121671 1065773661 /nfs/dbraw/zinc/77/36/61/1065773661.db2.gz UPFCIKWXGHCKOL-QFQXNSOFSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293121733 1065774105 /nfs/dbraw/zinc/77/41/05/1065774105.db2.gz VVUIJVJMFVVKHR-QFIPXVFZSA-N 1 0 481.689 2.932 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001293121923 1065774413 /nfs/dbraw/zinc/77/44/13/1065774413.db2.gz YXSGETZTKOLPJS-NRFANRHFSA-N 1 0 453.635 2.722 20 0 JFADRO CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293128065 1065779139 /nfs/dbraw/zinc/77/91/39/1065779139.db2.gz IOXYLKNWWOTOPC-UHFFFAOYSA-N 1 0 458.676 2.999 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1CCC(F)(F)CC1 ZINC001293130282 1065781069 /nfs/dbraw/zinc/78/10/69/1065781069.db2.gz FFZKUXOYSQFLGW-HXUWFJFHSA-N 1 0 454.610 2.897 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001293131644 1065783982 /nfs/dbraw/zinc/78/39/82/1065783982.db2.gz RGAXIUXOYRCWBD-VXKWHMMOSA-N 1 0 481.689 2.780 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001293132689 1065785205 /nfs/dbraw/zinc/78/52/05/1065785205.db2.gz YNGSWHJNXUGVGO-UXHICEINSA-N 1 0 454.610 2.897 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001293132691 1065785620 /nfs/dbraw/zinc/78/56/20/1065785620.db2.gz YNGSWHJNXUGVGO-WOJBJXKFSA-N 1 0 454.610 2.897 20 0 JFADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001293138790 1065789331 /nfs/dbraw/zinc/78/93/31/1065789331.db2.gz WRUIAXFHMHNSDV-KRWDZBQOSA-N 1 0 456.513 2.772 20 0 JFADRO CCc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001293161488 1065798533 /nfs/dbraw/zinc/79/85/33/1065798533.db2.gz QFLDLCQPNNAXQT-LJQANCHMSA-N 1 0 450.628 2.835 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001293184098 1065805955 /nfs/dbraw/zinc/80/59/55/1065805955.db2.gz BSEPAUGMCUMMOG-HZPDHXFCSA-N 1 0 474.013 2.772 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001293184771 1065807814 /nfs/dbraw/zinc/80/78/14/1065807814.db2.gz KDKXPLJXAVALFD-PMACEKPBSA-N 1 0 488.681 2.905 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001293186444 1065810904 /nfs/dbraw/zinc/81/09/04/1065810904.db2.gz DQTJSKCLMFJNAG-MSOLQXFVSA-N 1 0 470.597 2.787 20 0 JFADRO CCc1noc(C)c1Cn1c(Cc2ccncc2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001293199358 1065827158 /nfs/dbraw/zinc/82/71/58/1065827158.db2.gz JLZIYGNZVZTTSW-FQEVSTJZSA-N 1 0 453.591 2.718 20 0 JFADRO CCc1noc(C)c1Cn1c(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206919 1065833090 /nfs/dbraw/zinc/83/30/90/1065833090.db2.gz OOWSJMOGXUAVDG-VGOFRKELSA-N 1 0 471.650 2.862 20 0 JFADRO CCc1noc(C)c1Cn1c(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001293206917 1065833129 /nfs/dbraw/zinc/83/31/29/1065833129.db2.gz OOWSJMOGXUAVDG-HTAPYJJXSA-N 1 0 471.650 2.862 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCCO4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001293208494 1065839350 /nfs/dbraw/zinc/83/93/50/1065839350.db2.gz PASPMMSTBQQMKJ-MSOLQXFVSA-N 1 0 462.668 2.991 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC001293208579 1065839928 /nfs/dbraw/zinc/83/99/28/1065839928.db2.gz NGDDBWXWLSEJNX-SFHVURJKSA-N 1 0 476.695 2.673 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc(C4CCCC4)n3CCOCC[NH+](C)C)CC2)n1 ZINC001293208697 1065840871 /nfs/dbraw/zinc/84/08/71/1065840871.db2.gz RUAAUXJMCYQTKN-UHFFFAOYSA-N 1 0 462.668 2.645 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293209117 1065842403 /nfs/dbraw/zinc/84/24/03/1065842403.db2.gz VFXZTVWGKCQZHW-OALUTQOASA-N 1 0 476.695 2.889 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC001293209148 1065842889 /nfs/dbraw/zinc/84/28/89/1065842889.db2.gz VWHSFCMIWHAHIL-LJQANCHMSA-N 1 0 476.695 2.574 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](C(CC)CC)[NH+](C)C)CC2)n1 ZINC001293209429 1065844788 /nfs/dbraw/zinc/84/47/88/1065844788.db2.gz YQNXCENXIIJJQX-OALUTQOASA-N 1 0 476.695 2.889 20 0 JFADRO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c2)cc1 ZINC001293210353 1065846128 /nfs/dbraw/zinc/84/61/28/1065846128.db2.gz CNERUPHDSGZVPP-OAQYLSRUSA-N 1 0 456.612 2.694 20 0 JFADRO C[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214191 1065847082 /nfs/dbraw/zinc/84/70/82/1065847082.db2.gz FALLMMDWHCPLDD-YLJYHZDGSA-N 1 0 458.603 2.503 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H]2C[C@H]21 ZINC001293215114 1065850621 /nfs/dbraw/zinc/85/06/21/1065850621.db2.gz RRVSYRJKFQLWFC-OQEHDIDLSA-N 1 0 470.614 2.549 20 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CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293238405 1065893997 /nfs/dbraw/zinc/89/39/97/1065893997.db2.gz FCUXZKCNJYNOJF-CTNGQTDRSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001293238584 1065894401 /nfs/dbraw/zinc/89/44/01/1065894401.db2.gz GPCXKKLYHBWQLQ-SFHLNBCPSA-N 1 0 453.635 2.735 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293240473 1065897754 /nfs/dbraw/zinc/89/77/54/1065897754.db2.gz ZYVJFJXYOYGHGV-LAUBAEHRSA-N 1 0 460.573 2.984 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001293240686 1065898435 /nfs/dbraw/zinc/89/84/35/1065898435.db2.gz FOKVGPWKBFLDSJ-HSZRJFAPSA-N 1 0 498.672 2.676 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293240707 1065898953 /nfs/dbraw/zinc/89/89/53/1065898953.db2.gz FTHXARDGOQRFRJ-SFTDATJTSA-N 1 0 466.586 2.683 20 0 JFADRO 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CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001293298738 1065939759 /nfs/dbraw/zinc/93/97/59/1065939759.db2.gz QWPRIAVXHRXMQR-MHYXUVESSA-N 1 0 478.663 2.825 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001293320384 1065947475 /nfs/dbraw/zinc/94/74/75/1065947475.db2.gz HTQUSKTXINQCDA-MHTWAQMVSA-N 1 0 496.722 2.746 20 0 JFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352628 1065961084 /nfs/dbraw/zinc/96/10/84/1065961084.db2.gz YBFSTDDQJIHYSB-OALUTQOASA-N 1 0 452.640 2.909 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001293364187 1065968403 /nfs/dbraw/zinc/96/84/03/1065968403.db2.gz DFPHUGDWTXDZAL-ZWKOTPCHSA-N 1 0 456.591 2.538 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293364272 1065968908 /nfs/dbraw/zinc/96/89/08/1065968908.db2.gz MZHFQYHQBDRERX-SJLPKXTDSA-N 1 0 492.466 2.978 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001293364435 1065969396 /nfs/dbraw/zinc/96/93/96/1065969396.db2.gz NNDHQBMRBHWVBB-IPMKNSEASA-N 1 0 464.636 2.740 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001293365714 1065970805 /nfs/dbraw/zinc/97/08/05/1065970805.db2.gz VZAZNLRFFZENNW-SJORKVTESA-N 1 0 499.479 2.924 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001293365900 1065971213 /nfs/dbraw/zinc/97/12/13/1065971213.db2.gz PHVSNDULNLXFPX-NRFANRHFSA-N 1 0 470.666 2.794 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)CN1CCOCC1 ZINC001293365901 1065971257 /nfs/dbraw/zinc/97/12/57/1065971257.db2.gz PHVSNDULNLXFPX-OAQYLSRUSA-N 1 0 470.666 2.794 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293366623 1065972062 /nfs/dbraw/zinc/97/20/62/1065972062.db2.gz XAQPKOCMHAKSFU-PWRODBHTSA-N 1 0 471.650 2.905 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001293371337 1065973830 /nfs/dbraw/zinc/97/38/30/1065973830.db2.gz DYDAJAWBCDGLOQ-JOCHJYFZSA-N 1 0 472.609 2.568 20 0 JFADRO C[C@H]([NH2+]C1(CNC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CCOCC1)c1ccccc1 ZINC001293372072 1065975392 /nfs/dbraw/zinc/97/53/92/1065975392.db2.gz OTXKJKZSQVIKCU-ICSRJNTNSA-N 1 0 458.580 2.628 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001293373842 1065979381 /nfs/dbraw/zinc/97/93/81/1065979381.db2.gz RZUFMGXMVOIBJE-IFMALSPDSA-N 1 0 459.683 2.530 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293375096 1065981165 /nfs/dbraw/zinc/98/11/65/1065981165.db2.gz ZYMZNMVIFLEKHO-MIZPHKNDSA-N 1 0 467.680 2.840 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293379842 1065984485 /nfs/dbraw/zinc/98/44/85/1065984485.db2.gz UYJMEPBUMAWCQP-RBUKOAKNSA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293380072 1065985010 /nfs/dbraw/zinc/98/50/10/1065985010.db2.gz VRTRJCCBYSEUJJ-SGIRGMQISA-N 1 0 476.666 2.688 20 0 JFADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC001293383130 1065985283 /nfs/dbraw/zinc/98/52/83/1065985283.db2.gz NQSZTAMNLKAXCY-HXUWFJFHSA-N 1 0 455.603 2.815 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1C ZINC001293419764 1066001932 /nfs/dbraw/zinc/00/19/32/1066001932.db2.gz IRCKVOJPKKWMRL-HXUWFJFHSA-N 1 0 451.633 2.512 20 0 JFADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001293461380 1066015124 /nfs/dbraw/zinc/01/51/24/1066015124.db2.gz FKIRSOLYSJEGJD-LJQANCHMSA-N 1 0 460.648 2.918 20 0 JFADRO CCC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCSCC2)CC1 ZINC001293463704 1066016503 /nfs/dbraw/zinc/01/65/03/1066016503.db2.gz PMOXMZGXGZLQHK-UHFFFAOYSA-N 1 0 492.715 2.871 20 0 JFADRO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001293486758 1066024127 /nfs/dbraw/zinc/02/41/27/1066024127.db2.gz RDAGAIHRJXDISD-XMMPIXPASA-N 1 0 452.599 2.784 20 0 JFADRO CCC1CCN(c2nnc(Cc3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001293490081 1066025123 /nfs/dbraw/zinc/02/51/23/1066025123.db2.gz XUPRZBYNIJMCLM-QFIPXVFZSA-N 1 0 453.635 2.833 20 0 JFADRO CC1CCC([NH+]2CCN(C(=O)[C@H]3[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495187 1066025887 /nfs/dbraw/zinc/02/58/87/1066025887.db2.gz BOIXHSNKNZBTSM-NIXGDYPTSA-N 1 0 455.521 2.695 20 0 JFADRO CC1CCC([NH+]2CCN(C(=O)[C@H]3[C@@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495189 1066025923 /nfs/dbraw/zinc/02/59/23/1066025923.db2.gz BOIXHSNKNZBTSM-VXTXFWRUSA-N 1 0 455.521 2.695 20 0 JFADRO CCC1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CC1 ZINC001293498509 1066026559 /nfs/dbraw/zinc/02/65/59/1066026559.db2.gz SNZAWCMAUVCXRK-UHFFFAOYSA-N 1 0 489.615 2.651 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC001293505614 1066029151 /nfs/dbraw/zinc/02/91/51/1066029151.db2.gz INUPGENRQGVFKZ-OAQYLSRUSA-N 1 0 470.618 2.508 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2(C)C)CC[N@@H+]1CCOC ZINC001293506145 1066029778 /nfs/dbraw/zinc/02/97/78/1066029778.db2.gz BDKLMKBOERZXEQ-RBUKOAKNSA-N 1 0 464.680 2.593 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(CCCCC3)O2)CC[N@@H+]1CCOC ZINC001293506702 1066030644 /nfs/dbraw/zinc/03/06/44/1066030644.db2.gz FVHQRXZGVTUOPP-NHCUHLMSSA-N 1 0 476.666 2.845 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001293507255 1066031814 /nfs/dbraw/zinc/03/18/14/1066031814.db2.gz AGFWRDCWCNEDIA-SIKLNZKXSA-N 1 0 493.612 2.574 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)CCOC)C1 ZINC001293508927 1066033001 /nfs/dbraw/zinc/03/30/01/1066033001.db2.gz WVFQOGMQTCNJKW-QRVBRYPASA-N 1 0 450.628 2.863 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC[N@@H+]1CCOC ZINC001293509339 1066034079 /nfs/dbraw/zinc/03/40/79/1066034079.db2.gz HZZSVLPHSJLQLV-FQEVSTJZSA-N 1 0 497.575 2.668 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@H+](CC)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293511748 1066038241 /nfs/dbraw/zinc/03/82/41/1066038241.db2.gz XZLLWNCYPCAGPY-ZCNNSNEGSA-N 1 0 491.681 2.888 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@@H+]1CCOC ZINC001293523002 1066044370 /nfs/dbraw/zinc/04/43/70/1066044370.db2.gz HJNRVRJTSRXAKQ-MJGOQNOKSA-N 1 0 489.024 2.795 20 0 JFADRO CC[C@H]1CN(c2nnc(C)n2Cc2ccc(OC)c(Br)c2)CC[N@@H+]1CCOC ZINC001293529317 1066049017 /nfs/dbraw/zinc/04/90/17/1066049017.db2.gz IJBKDYSRSAMVRF-KRWDZBQOSA-N 1 0 452.397 2.953 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCSCC2)CCS1 ZINC001293530620 1066050191 /nfs/dbraw/zinc/05/01/91/1066050191.db2.gz GFHLCCDJXVQCSN-NQIIRXRSSA-N 1 0 455.694 2.699 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001293531083 1066050864 /nfs/dbraw/zinc/05/08/64/1066050864.db2.gz KENUBWZSNZPEFQ-SIKLNZKXSA-N 1 0 471.593 2.911 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)nn2C)CC[N@@H+]1CCOC ZINC001293536790 1066054078 /nfs/dbraw/zinc/05/40/78/1066054078.db2.gz FPNQEDPAGYRQOT-QGZVFWFLSA-N 1 0 491.438 2.673 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC[N@@H+]1CCOC ZINC001293537524 1066054814 /nfs/dbraw/zinc/05/48/14/1066054814.db2.gz NNLCPSAEDYOUEN-LJQANCHMSA-N 1 0 458.998 2.815 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)CCO1 ZINC001293537976 1066055365 /nfs/dbraw/zinc/05/53/65/1066055365.db2.gz UAUOYRSGXBZSRX-SFHVURJKSA-N 1 0 452.397 2.901 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C)COC2)CC[N@@H+]1CCOC ZINC001293539219 1066057621 /nfs/dbraw/zinc/05/76/21/1066057621.db2.gz INIFQNWSJRJHJK-IBGZPJMESA-N 1 0 459.591 2.546 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539693 1066058103 /nfs/dbraw/zinc/05/81/03/1066058103.db2.gz LFEFKDVGPJLYCR-PZJWPPBQSA-N 1 0 456.635 2.983 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001293548876 1066064840 /nfs/dbraw/zinc/06/48/40/1066064840.db2.gz BIQGXYHJANTSPQ-LAUBAEHRSA-N 1 0 464.408 2.698 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293551048 1066066898 /nfs/dbraw/zinc/06/68/98/1066066898.db2.gz DPNAVIYMHAKLAY-SFTDATJTSA-N 1 0 464.010 2.951 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001293554860 1066069307 /nfs/dbraw/zinc/06/93/07/1066069307.db2.gz VQYXORPHBBFHRW-JTSKRJEESA-N 1 0 484.428 2.950 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001293556503 1066070616 /nfs/dbraw/zinc/07/06/16/1066070616.db2.gz OVHVTQKFIYQUGB-IBGZPJMESA-N 1 0 470.574 2.854 20 0 JFADRO 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CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cc(OC)ccc2OC)CC[N@@H+]1CCOC ZINC001293573139 1066084861 /nfs/dbraw/zinc/08/48/61/1066084861.db2.gz VEQAZFICBRISDB-NRFANRHFSA-N 1 0 466.586 2.953 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001293574157 1066085108 /nfs/dbraw/zinc/08/51/08/1066085108.db2.gz ZTESGBIOAJTSSA-ROUUACIJSA-N 1 0 450.678 2.679 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)[NH+](C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293574615 1066085758 /nfs/dbraw/zinc/08/57/58/1066085758.db2.gz GSGKLBJWNOMICQ-KZNAEPCWSA-N 1 0 458.611 2.815 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H](C)O1 ZINC001293576254 1066086472 /nfs/dbraw/zinc/08/64/72/1066086472.db2.gz QXGCRFNJMXQUAU-NQIIRXRSSA-N 1 0 453.591 2.671 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C)c(OC)c2)CC[N@@H+]1CCOC ZINC001293576118 1066086505 /nfs/dbraw/zinc/08/65/05/1066086505.db2.gz QUWUTDKDXZRPPU-FQEVSTJZSA-N 1 0 451.575 2.647 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001293581886 1066090719 /nfs/dbraw/zinc/09/07/19/1066090719.db2.gz BGSSUBMUSHQGGU-OALUTQOASA-N 1 0 467.618 2.784 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC[NH+](C)C)CCS1 ZINC001293581772 1066090731 /nfs/dbraw/zinc/09/07/31/1066090731.db2.gz FATXMYQIWIFXQY-RBUKOAKNSA-N 1 0 458.632 2.550 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC[N@@H+]1CCOC ZINC001293582217 1066091410 /nfs/dbraw/zinc/09/14/10/1066091410.db2.gz IECXLOKFCAKJPF-FPOVZHCZSA-N 1 0 462.639 2.516 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC[N@@H+]1CCOC ZINC001293582190 1066091486 /nfs/dbraw/zinc/09/14/86/1066091486.db2.gz HWLVHZOJXCGJPI-LEWJYISDSA-N 1 0 470.618 2.612 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001293585520 1066094567 /nfs/dbraw/zinc/09/45/67/1066094567.db2.gz QTZWWILZBNEDOV-TUNNFDKTSA-N 1 0 470.618 2.552 20 0 JFADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 ZINC001293590672 1066097368 /nfs/dbraw/zinc/09/73/68/1066097368.db2.gz VVWZLGAJHWFIAM-KRWDZBQOSA-N 1 0 451.995 2.573 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCC[NH+]2CCN(CC)CC2)CCS1 ZINC001293592901 1066098656 /nfs/dbraw/zinc/09/86/56/1066098656.db2.gz CIQACLOWSZGTKN-NHCUHLMSSA-N 1 0 450.697 2.922 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[NH+](C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293593902 1066100551 /nfs/dbraw/zinc/10/05/51/1066100551.db2.gz HLSUYJHOIKVWKO-NCXUSEDFSA-N 1 0 450.628 2.862 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@@H+]1CCOC ZINC001293595462 1066104208 /nfs/dbraw/zinc/10/42/08/1066104208.db2.gz SCIPZVWURIZNLI-FCHUYYIVSA-N 1 0 456.635 2.638 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2(C)CC2)CC[N@@H+]1CCOC ZINC001293595754 1066105360 /nfs/dbraw/zinc/10/53/60/1066105360.db2.gz CVXIZYPFPYQECZ-PMACEKPBSA-N 1 0 492.665 2.934 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC[N@@H+]1CCOC ZINC001293596121 1066106518 /nfs/dbraw/zinc/10/65/18/1066106518.db2.gz QCQOPQIKYZGTGW-OALUTQOASA-N 1 0 476.647 2.558 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC001293596862 1066109106 /nfs/dbraw/zinc/10/91/06/1066109106.db2.gz SEJDKOCFXBEWDJ-YADHBBJMSA-N 1 0 457.619 2.970 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCS1 ZINC001293597545 1066110021 /nfs/dbraw/zinc/11/00/21/1066110021.db2.gz XYLDNGSFTLLGGP-IPMKNSEASA-N 1 0 455.694 2.632 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293603097 1066119478 /nfs/dbraw/zinc/11/94/78/1066119478.db2.gz SYTHXBLARHDXDZ-ACESQOTJSA-N 1 0 476.710 2.913 20 0 JFADRO CC[C@H]1CN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC[N@@H+]1CCOC ZINC001293605014 1066121397 /nfs/dbraw/zinc/12/13/97/1066121397.db2.gz AMDSLYAYHCVYCV-QHCPKHFHSA-N 1 0 470.662 2.909 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCn2cc(Br)cn2)CC[N@@H+]1CCOC ZINC001293607120 1066122757 /nfs/dbraw/zinc/12/27/57/1066122757.db2.gz HKNRMNHHBPLWNQ-GOSISDBHSA-N 1 0 468.444 2.683 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293609692 1066124752 /nfs/dbraw/zinc/12/47/52/1066124752.db2.gz AEILMGOEEYMJBI-NFBKMPQASA-N 1 0 458.626 2.897 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC001293610282 1066125130 /nfs/dbraw/zinc/12/51/30/1066125130.db2.gz UEPYVCWOFPQKBC-MJGOQNOKSA-N 1 0 463.573 2.998 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@@H+]1CCOC ZINC001293610045 1066125165 /nfs/dbraw/zinc/12/51/65/1066125165.db2.gz BOJDDGYXWMKDEL-XMMPIXPASA-N 1 0 477.613 2.818 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001293611827 1066127036 /nfs/dbraw/zinc/12/70/36/1066127036.db2.gz INXUTYINDKSKHW-OFVILXPXSA-N 1 0 456.635 2.752 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001293613450 1066130566 /nfs/dbraw/zinc/13/05/66/1066130566.db2.gz RYIXKDAEOTWSNV-DHLKQENFSA-N 1 0 457.619 2.530 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2nnc(C)s2)CC[N@@H+]1CCOC ZINC001293613766 1066131566 /nfs/dbraw/zinc/13/15/66/1066131566.db2.gz UWVVYMMFRZSAAA-FQEVSTJZSA-N 1 0 455.632 2.933 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001293616420 1066132853 /nfs/dbraw/zinc/13/28/53/1066132853.db2.gz IJJRXUBQYNIJLK-WOJBJXKFSA-N 1 0 462.689 2.660 20 0 JFADRO CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001293627912 1066142029 /nfs/dbraw/zinc/14/20/29/1066142029.db2.gz PMTJWJOBYJRCKG-BKULYWANSA-N 1 0 470.662 2.569 20 0 JFADRO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC001293629818 1066144325 /nfs/dbraw/zinc/14/43/25/1066144325.db2.gz MLTPTACBXNYOCR-IRLDBZIGSA-N 1 0 454.619 2.926 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001293633181 1066147597 /nfs/dbraw/zinc/14/75/97/1066147597.db2.gz YUNNVWZXYLSRKQ-SGNDLWITSA-N 1 0 486.709 2.663 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293632888 1066147640 /nfs/dbraw/zinc/14/76/40/1066147640.db2.gz XMHHHQMYQTXYLV-GJZUVCINSA-N 1 0 499.660 2.804 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001293633194 1066148035 /nfs/dbraw/zinc/14/80/35/1066148035.db2.gz YUNNVWZXYLSRKQ-WXFUMESZSA-N 1 0 486.709 2.663 20 0 JFADRO CC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnn(C)c2)CC[N@@H+]1CCOC ZINC001293635864 1066152836 /nfs/dbraw/zinc/15/28/36/1066152836.db2.gz QOJSVIYXAALKRQ-QFIPXVFZSA-N 1 0 467.618 2.803 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001293643146 1066158156 /nfs/dbraw/zinc/15/81/56/1066158156.db2.gz AXTMVXOIOSJJMD-QZTJIDSGSA-N 1 0 483.535 2.967 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2c(C)cccc2C)CC[N@@H+]1CCOC ZINC001293655279 1066167262 /nfs/dbraw/zinc/16/72/62/1066167262.db2.gz YMGUXBGGYFOWEL-LEWJYISDSA-N 1 0 470.618 2.932 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC001293658433 1066167484 /nfs/dbraw/zinc/16/74/84/1066167484.db2.gz ILHBGSKOWXIHCR-NNWRFLSQSA-N 1 0 461.582 2.888 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC001293660637 1066168297 /nfs/dbraw/zinc/16/82/97/1066168297.db2.gz VXDBZPUIEKWFNY-KRQRVDPASA-N 1 0 479.666 2.753 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001293660643 1066168612 /nfs/dbraw/zinc/16/86/12/1066168612.db2.gz VXDBZPUIEKWFNY-ZKPZVSKHSA-N 1 0 479.666 2.753 20 0 JFADRO O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001293670032 1066171314 /nfs/dbraw/zinc/17/13/14/1066171314.db2.gz AYAAMCSYYNEHEH-KRWDZBQOSA-N 1 0 458.422 2.594 20 0 JFADRO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001293683466 1066173973 /nfs/dbraw/zinc/17/39/73/1066173973.db2.gz QIDATRZUYROAPC-NGXITPROSA-N 1 0 468.602 2.671 20 0 JFADRO CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723390 1066183628 /nfs/dbraw/zinc/18/36/28/1066183628.db2.gz OHPCUJDDQSGVBP-QHCPKHFHSA-N 1 0 454.619 2.900 20 0 JFADRO CC/C=C\Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001293724312 1066184214 /nfs/dbraw/zinc/18/42/14/1066184214.db2.gz DBEAFYCKNZHUOR-UTCJRWHESA-N 1 0 456.566 2.707 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001293735328 1066192797 /nfs/dbraw/zinc/19/27/97/1066192797.db2.gz CMKYERFHVMEDPH-JOCHJYFZSA-N 1 0 481.645 2.531 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293741633 1066206124 /nfs/dbraw/zinc/20/61/24/1066206124.db2.gz HNTCFGVKDVBPHQ-FQEVSTJZSA-N 1 0 472.634 2.967 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293744105 1066212208 /nfs/dbraw/zinc/21/22/08/1066212208.db2.gz VXTWBDOUHLKNED-FGZHOGPDSA-N 1 0 497.688 2.865 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293744106 1066212584 /nfs/dbraw/zinc/21/25/84/1066212584.db2.gz VXTWBDOUHLKNED-VXKWHMMOSA-N 1 0 497.688 2.865 20 0 JFADRO C[C@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC001293745381 1066215200 /nfs/dbraw/zinc/21/52/00/1066215200.db2.gz PGHOOIDWYSTOOM-LKFCYVNXSA-N 1 0 456.155 2.962 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001293748337 1066218536 /nfs/dbraw/zinc/21/85/36/1066218536.db2.gz GXIRDNUGHPMIIJ-JAXLGGSGSA-N 1 0 470.666 2.932 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293748340 1066218576 /nfs/dbraw/zinc/21/85/76/1066218576.db2.gz GXIRDNUGHPMIIJ-VWPQPMDRSA-N 1 0 470.666 2.932 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001293750657 1066225536 /nfs/dbraw/zinc/22/55/36/1066225536.db2.gz MBTHMWCIIGVOID-CIAFKFPVSA-N 1 0 476.666 2.557 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001293773682 1066263806 /nfs/dbraw/zinc/26/38/06/1066263806.db2.gz JWLMPDVISPLZEK-FQEVSTJZSA-N 1 0 453.635 2.881 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001293787521 1066292716 /nfs/dbraw/zinc/29/27/16/1066292716.db2.gz COPUETIKIFWAJL-PCCBWWKXSA-N 1 0 473.666 2.626 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001293787956 1066294085 /nfs/dbraw/zinc/29/40/85/1066294085.db2.gz FFOQTGCAAGVXGV-HKBOAZHASA-N 1 0 487.693 2.872 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293787838 1066294113 /nfs/dbraw/zinc/29/41/13/1066294113.db2.gz DXPSSJNJBOHBOH-YADHBBJMSA-N 1 0 490.693 2.888 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001293790321 1066299320 /nfs/dbraw/zinc/29/93/20/1066299320.db2.gz XANLTTHWVWRXAL-SFTDATJTSA-N 1 0 462.683 2.968 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293792327 1066300542 /nfs/dbraw/zinc/30/05/42/1066300542.db2.gz AZJQEAKTOGAYRC-QFIPXVFZSA-N 1 0 497.688 2.632 20 0 JFADRO CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293798547 1066309678 /nfs/dbraw/zinc/30/96/78/1066309678.db2.gz SRWFPLAUHXRAPL-KCWPFWIISA-N 1 0 497.688 2.915 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293804351 1066313798 /nfs/dbraw/zinc/31/37/98/1066313798.db2.gz BIOIRQNHERGLEL-XXBNENTESA-N 1 0 462.042 2.761 20 0 JFADRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC[N@@H+]1C ZINC001293806268 1066315736 /nfs/dbraw/zinc/31/57/36/1066315736.db2.gz JUWBZIPNRCFOLS-RHSMWYFYSA-N 1 0 457.556 2.624 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001293809709 1066320457 /nfs/dbraw/zinc/32/04/57/1066320457.db2.gz PVAAQWZSGYSOLL-CLOONOSVSA-N 1 0 473.618 2.672 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001293809711 1066320531 /nfs/dbraw/zinc/32/05/31/1066320531.db2.gz PVAAQWZSGYSOLL-KBMIEXCESA-N 1 0 473.618 2.672 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001293810269 1066320711 /nfs/dbraw/zinc/32/07/11/1066320711.db2.gz USYZIKPHSDVDHS-AREMUKBSSA-N 1 0 497.644 2.959 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001293810270 1066320761 /nfs/dbraw/zinc/32/07/61/1066320761.db2.gz USYZIKPHSDVDHS-SANMLTNESA-N 1 0 497.644 2.959 20 0 JFADRO CCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001293821783 1066329344 /nfs/dbraw/zinc/32/93/44/1066329344.db2.gz VODUJEIXLIPKRN-HYBUGGRVSA-N 1 0 458.582 2.632 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293822513 1066330266 /nfs/dbraw/zinc/33/02/66/1066330266.db2.gz VALQIDBXOKXZLE-CNPGNWEMSA-N 1 0 483.661 2.579 20 0 JFADRO C[C@@H]1Oc2ccccc2N(CCC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1=O ZINC001293845256 1066347937 /nfs/dbraw/zinc/34/79/37/1066347937.db2.gz LHIFSQYNXWTPEO-SFHVURJKSA-N 1 0 455.530 2.989 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001293847431 1066349792 /nfs/dbraw/zinc/34/97/92/1066349792.db2.gz KLEYTWSNVTZFOS-ATKRNPRHSA-N 1 0 487.693 2.767 20 0 JFADRO C[NH+](C)CCn1nccc1C(=O)Nc1ccc(-c2nnc(CNC(=O)OC(C)(C)C)[nH]2)cc1 ZINC001293859791 1066367325 /nfs/dbraw/zinc/36/73/25/1066367325.db2.gz HRZDSTVMNHDJHT-UHFFFAOYSA-N 1 0 454.535 2.507 20 0 JFADRO COc1cccc(-c2cc(C(=O)N3CCC(CC(=O)N4CCC([NH+](C)C)CC4)CC3)[nH]n2)c1 ZINC001293859803 1066367411 /nfs/dbraw/zinc/36/74/11/1066367411.db2.gz HXKPNGFGUZZGCU-UHFFFAOYSA-N 1 0 453.587 2.880 20 0 JFADRO Cc1ccc(C(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)c(Br)n1 ZINC001293860327 1066368224 /nfs/dbraw/zinc/36/82/24/1066368224.db2.gz MTEHGXDDLFZVKQ-UHFFFAOYSA-N 1 0 451.409 2.947 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3ccc(C4N=NC(=S)O4)cc3)CC2)CC1 ZINC001293860275 1066368318 /nfs/dbraw/zinc/36/83/18/1066368318.db2.gz LCRDQUHEUBGQDB-UHFFFAOYSA-N 1 0 457.600 2.820 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001293863024 1066373122 /nfs/dbraw/zinc/37/31/22/1066373122.db2.gz YTOTUJJMRWFQKW-HXUWFJFHSA-N 1 0 486.636 2.861 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001293865421 1066375781 /nfs/dbraw/zinc/37/57/81/1066375781.db2.gz UEMHULIMDZUVMV-QNWVGRARSA-N 1 0 495.672 2.882 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001293866130 1066376558 /nfs/dbraw/zinc/37/65/58/1066376558.db2.gz XBEIRFCXDUVNJS-RZUBCFFCSA-N 1 0 476.666 2.762 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001293868644 1066381409 /nfs/dbraw/zinc/38/14/09/1066381409.db2.gz PKWQFRZHJQMGBL-NHCUHLMSSA-N 1 0 483.661 2.506 20 0 JFADRO CCC[C@@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001293882876 1066388349 /nfs/dbraw/zinc/38/83/49/1066388349.db2.gz KLEVCPOMYHFHJH-CJAUYULYSA-N 1 0 467.618 2.614 20 0 JFADRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC001293891605 1066392926 /nfs/dbraw/zinc/39/29/26/1066392926.db2.gz OIZCQXHEEINGNW-UHFFFAOYSA-N 1 0 452.603 2.508 20 0 JFADRO Cc1c(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nnn1Cc1ccncc1 ZINC001293911290 1066397631 /nfs/dbraw/zinc/39/76/31/1066397631.db2.gz FVCFGWGLZFJTLM-UHFFFAOYSA-N 1 0 454.962 2.956 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001293924338 1066404998 /nfs/dbraw/zinc/40/49/98/1066404998.db2.gz PETZQASPWMLKBZ-UFYCRDLUSA-N 1 0 484.711 2.746 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001293924336 1066405012 /nfs/dbraw/zinc/40/50/12/1066405012.db2.gz PETZQASPWMLKBZ-HSALFYBXSA-N 1 0 484.711 2.746 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001293930570 1066408927 /nfs/dbraw/zinc/40/89/27/1066408927.db2.gz CTFXRFYFLALXSC-ACRUOGEOSA-N 1 0 475.682 2.812 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293937020 1066420797 /nfs/dbraw/zinc/42/07/97/1066420797.db2.gz OGDWHBNQIASISK-RBUKOAKNSA-N 1 0 454.623 2.741 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCC2)C1 ZINC001293943768 1066432140 /nfs/dbraw/zinc/43/21/40/1066432140.db2.gz HAMSXBIJUAQUPX-LEWJYISDSA-N 1 0 487.693 2.796 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001293943811 1066432755 /nfs/dbraw/zinc/43/27/55/1066432755.db2.gz DMPKSLCWKOVWEN-PWRODBHTSA-N 1 0 487.693 2.872 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293949228 1066448265 /nfs/dbraw/zinc/44/82/65/1066448265.db2.gz ZIVUPRHERHCIQC-FDFHNCONSA-N 1 0 490.693 2.539 20 0 JFADRO C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001294000050 1066501945 /nfs/dbraw/zinc/50/19/45/1066501945.db2.gz RABKFRHICRRHPP-FQEVSTJZSA-N 1 0 454.590 2.609 20 0 JFADRO CCCC(O)(CCC)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294007312 1066505834 /nfs/dbraw/zinc/50/58/34/1066505834.db2.gz SHJDGVSLISOCQK-UHFFFAOYSA-N 1 0 456.635 2.896 20 0 JFADRO CCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC001294016170 1066510443 /nfs/dbraw/zinc/51/04/43/1066510443.db2.gz NXYRRLHMISOSDF-GOSISDBHSA-N 1 0 452.669 2.923 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001294054272 1066525396 /nfs/dbraw/zinc/52/53/96/1066525396.db2.gz FVFWLROUAKTHCF-HXUWFJFHSA-N 1 0 488.608 2.647 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)CCO1 ZINC001294056197 1066530379 /nfs/dbraw/zinc/53/03/79/1066530379.db2.gz ZZIUAACIUIOFCA-HXUWFJFHSA-N 1 0 461.010 2.963 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC[N@@H+]1CCOC ZINC001294073115 1066542041 /nfs/dbraw/zinc/54/20/41/1066542041.db2.gz KBHOWXSEDPDZGP-JOCHJYFZSA-N 1 0 477.613 2.685 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H]2C(C)C)CC[N@@H+]1CCOC ZINC001294075508 1066544629 /nfs/dbraw/zinc/54/46/29/1066544629.db2.gz ADWOLNQBLPTJHJ-VWPQPMDRSA-N 1 0 457.623 2.733 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001294077879 1066547408 /nfs/dbraw/zinc/54/74/08/1066547408.db2.gz TVMXGLCEBIBGAT-KNQAVFIVSA-N 1 0 465.602 2.774 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CC[N@@H+]1CCOC ZINC001294080901 1066549057 /nfs/dbraw/zinc/54/90/57/1066549057.db2.gz GRWKEYSSGSESRS-NRFANRHFSA-N 1 0 452.607 2.562 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001294081711 1066549619 /nfs/dbraw/zinc/54/96/19/1066549619.db2.gz NWFCOAAAQMTROY-QZTJIDSGSA-N 1 0 497.566 2.771 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001294081710 1066549651 /nfs/dbraw/zinc/54/96/51/1066549651.db2.gz NWFCOAAAQMTROY-MSOLQXFVSA-N 1 0 497.566 2.771 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294081922 1066550301 /nfs/dbraw/zinc/55/03/01/1066550301.db2.gz IUOBVRLKJDUFSB-KSZLIROESA-N 1 0 454.566 2.602 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001294085087 1066555183 /nfs/dbraw/zinc/55/51/83/1066555183.db2.gz DFTKWNOQWUNBKT-NJYVYQBISA-N 1 0 492.665 2.932 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC001294086056 1066556868 /nfs/dbraw/zinc/55/68/68/1066556868.db2.gz WEIXIRNHFSNATO-ROUUACIJSA-N 1 0 495.550 2.628 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)CC[N@@H+]1CCOC ZINC001294089493 1066560481 /nfs/dbraw/zinc/56/04/81/1066560481.db2.gz BLFAFOBCGYRIOB-AVRWGWEMSA-N 1 0 490.599 2.563 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294090918 1066561838 /nfs/dbraw/zinc/56/18/38/1066561838.db2.gz IZERHQKARPSISV-YADHBBJMSA-N 1 0 478.037 2.875 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294092218 1066563056 /nfs/dbraw/zinc/56/30/56/1066563056.db2.gz UVZDTXUJGGLALM-MHECFPHRSA-N 1 0 495.640 2.952 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164409897 718864173 /nfs/dbraw/zinc/86/41/73/718864173.db2.gz VGQYHPDZUCNRIP-QZTJIDSGSA-N 1 0 473.643 2.977 20 0 JFADRO COc1ccccc1-c1cc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c(Cl)nn1 ZINC001164425309 718919180 /nfs/dbraw/zinc/91/91/80/718919180.db2.gz RLPXDHTVFFHMHB-HXUWFJFHSA-N 1 0 454.905 2.936 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164431951 718968565 /nfs/dbraw/zinc/96/85/65/718968565.db2.gz CVMMIVSAJVMFJY-XZOQPEGZSA-N 1 0 475.515 2.556 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164435093 718969085 /nfs/dbraw/zinc/96/90/85/718969085.db2.gz YXEHCSLVKYBLQJ-HOTGVXAUSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164435070 718969086 /nfs/dbraw/zinc/96/90/86/718969086.db2.gz YKCZGPLOTYIEJZ-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164435092 718969426 /nfs/dbraw/zinc/96/94/26/718969426.db2.gz YXEHCSLVKYBLQJ-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@]3(C(=O)OCC)C[NH2+]C[C@@]3(C(F)(F)F)C2)c(Cl)n1 ZINC001164432624 718970991 /nfs/dbraw/zinc/97/09/91/718970991.db2.gz HXWKWEYEENRYKL-DLBZAZTESA-N 1 0 485.837 2.978 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccsc4c(N4CCOCC4)n3)CC2)CC1 ZINC001164613816 719022540 /nfs/dbraw/zinc/02/25/40/719022540.db2.gz FZHNPJFBYKVQKB-UHFFFAOYSA-N 1 0 459.616 2.772 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)c2c1C ZINC001164619570 719122722 /nfs/dbraw/zinc/12/27/22/719122722.db2.gz FJPXMADIOCLPEQ-CVEARBPZSA-N 1 0 477.606 2.522 20 0 JFADRO c1ccc(CN2CCc3ncnc(N(Cc4noc5c4C[NH2+]CC5)c4ncccn4)c3C2)cc1 ZINC001164632705 719266875 /nfs/dbraw/zinc/26/68/75/719266875.db2.gz AOJANMWWJISFKO-UHFFFAOYSA-N 1 0 454.538 2.797 20 0 JFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@@H]21 ZINC001164667854 719438678 /nfs/dbraw/zinc/43/86/78/719438678.db2.gz HWNVXOOPPLUORQ-LOSJGSFVSA-N 1 0 478.618 2.992 20 0 JFADRO CNC(=O)CO[C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164677445 719550266 /nfs/dbraw/zinc/55/02/66/719550266.db2.gz NCQVQXKRSBWIRF-JOCHJYFZSA-N 1 0 450.583 2.530 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681252 719620598 /nfs/dbraw/zinc/62/05/98/719620598.db2.gz FFFBTMGBWXYCPD-HXUWFJFHSA-N 1 0 466.634 2.652 20 0 JFADRO CC(C)N(C)Cc1nn([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CC[NH2+]C2 ZINC001164679591 719635928 /nfs/dbraw/zinc/63/59/28/719635928.db2.gz IEEDDJZLSRRWLQ-QHCPKHFHSA-N 1 0 491.015 2.836 20 0 JFADRO COc1ccc(Cn2cc3[nH]c(-n4nc(CN(C)C(C)C)c5c4C[NH2+]CC5)ccc-3c2=O)cc1 ZINC001164679773 719636787 /nfs/dbraw/zinc/63/67/87/719636787.db2.gz MRFXJNBZWJJDRI-UHFFFAOYSA-N 1 0 460.582 2.918 20 0 JFADRO CC(C)N(C)Cc1nn(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679612 719639524 /nfs/dbraw/zinc/63/95/24/719639524.db2.gz IQNZQKXITQMTGK-UHFFFAOYSA-N 1 0 481.670 2.684 20 0 JFADRO COc1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc(OC)n1 ZINC001164685171 719663119 /nfs/dbraw/zinc/66/31/19/719663119.db2.gz YIUSHWQTJRPAJC-SFHVURJKSA-N 1 0 453.587 2.587 20 0 JFADRO COc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1OC ZINC001164679971 719668059 /nfs/dbraw/zinc/66/80/59/719668059.db2.gz AAKSBOLKOMGLKS-GOSISDBHSA-N 1 0 453.587 2.587 20 0 JFADRO CN(C)c1nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc2nc[nH]c21 ZINC001164682149 719672655 /nfs/dbraw/zinc/67/26/55/719672655.db2.gz PIRDVGWLNSGPLH-GOSISDBHSA-N 1 0 476.629 2.512 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cncc(-n4ccnc4)n3)CC2)c2ccccc21 ZINC001164681505 719674256 /nfs/dbraw/zinc/67/42/56/719674256.db2.gz MDJJHGIKLVXCTA-HXUWFJFHSA-N 1 0 459.598 2.756 20 0 JFADRO CCOC(=O)c1nccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684666 719678412 /nfs/dbraw/zinc/67/84/12/719678412.db2.gz VCNQSBUWJAIDQU-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO COCCOc1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680686 719678418 /nfs/dbraw/zinc/67/84/18/719678418.db2.gz GXNXVRXHNJUQFX-HXUWFJFHSA-N 1 0 467.614 2.595 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164683168 719704814 /nfs/dbraw/zinc/70/48/14/719704814.db2.gz IVPPABSJCCZIQM-UHFFFAOYSA-N 1 0 469.033 2.869 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncccc1C(=O)NCCSCc1ccco1)CC2 ZINC001164686506 719727839 /nfs/dbraw/zinc/72/78/39/719727839.db2.gz OVCORJFNFFBKJR-UHFFFAOYSA-N 1 0 471.627 2.519 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nn2)CC1 ZINC001164696204 719895448 /nfs/dbraw/zinc/89/54/48/719895448.db2.gz BYZBAZVNGGZVFG-UHFFFAOYSA-N 1 0 471.627 2.799 20 0 JFADRO O=S(=O)(c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1)N1CCCC1 ZINC001164696708 719898457 /nfs/dbraw/zinc/89/84/57/719898457.db2.gz HQRWEXBLEBMLQF-UHFFFAOYSA-N 1 0 462.641 2.799 20 0 JFADRO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)[C@H]2CCCO[C@@H]12 ZINC001164710724 720061734 /nfs/dbraw/zinc/06/17/34/720061734.db2.gz GFZKCIBPDWVBQH-GUGJDKNPSA-N 1 0 460.619 2.653 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164712955 720097487 /nfs/dbraw/zinc/09/74/87/720097487.db2.gz ZBQICPYBFSADJU-XMMPIXPASA-N 1 0 451.615 2.816 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164710684 720100819 /nfs/dbraw/zinc/10/08/19/720100819.db2.gz LBSXLSSDMIAUFE-SFHVURJKSA-N 1 0 450.543 2.599 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164714611 720128251 /nfs/dbraw/zinc/12/82/51/720128251.db2.gz XPJWMRHLFJPHSB-JOCHJYFZSA-N 1 0 485.654 2.769 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164714097 720133064 /nfs/dbraw/zinc/13/30/64/720133064.db2.gz WEWWNRNRRSORNU-NRFANRHFSA-N 1 0 456.587 2.768 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(S(=O)(=O)NC(C)C)cn1)CC2 ZINC001164714004 720141472 /nfs/dbraw/zinc/14/14/72/720141472.db2.gz UYGHBKXNFSPWSA-OAQYLSRUSA-N 1 0 473.643 2.671 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cncc(SCC(=O)OC)n1)CC2 ZINC001164713583 720149060 /nfs/dbraw/zinc/14/90/60/720149060.db2.gz SHLPRHDETNKJJC-IBGZPJMESA-N 1 0 457.600 2.644 20 0 JFADRO COc1ccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716183 720164825 /nfs/dbraw/zinc/16/48/25/720164825.db2.gz YNEOTYVJAFOVBK-LJQANCHMSA-N 1 0 457.966 2.637 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)c1cnc(Cl)nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712287 720167577 /nfs/dbraw/zinc/16/75/77/720167577.db2.gz FDKKNTSANWDJBN-CQSZACIVSA-N 1 0 462.332 2.673 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820337 720170274 /nfs/dbraw/zinc/17/02/74/720170274.db2.gz ZZEFLJQAIIDXDN-HOFKKMOUSA-N 1 0 462.642 2.988 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820338 720170921 /nfs/dbraw/zinc/17/09/21/720170921.db2.gz ZZEFLJQAIIDXDN-KCWPFWIISA-N 1 0 462.642 2.988 20 0 JFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817816 720174471 /nfs/dbraw/zinc/17/44/71/720174471.db2.gz QIMKNWHIBUPJPY-XXBNENTESA-N 1 0 450.649 2.733 20 0 JFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718826 720174900 /nfs/dbraw/zinc/17/49/00/720174900.db2.gz SCHJWNCOZLUJMY-GOSISDBHSA-N 1 0 462.982 2.565 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820176 720184086 /nfs/dbraw/zinc/18/40/86/720184086.db2.gz ZSDSTVKTMQTGLF-YIXXDRMTSA-N 1 0 462.642 2.988 20 0 JFADRO COc1ccc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1Cl ZINC001164717676 720186003 /nfs/dbraw/zinc/18/60/03/720186003.db2.gz LIBREHOLQXTBRT-OAHLLOKOSA-N 1 0 456.925 2.633 20 0 JFADRO COc1cccc(Oc2cncc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)c1 ZINC001164715664 720190189 /nfs/dbraw/zinc/19/01/89/720190189.db2.gz MFTBHJWCOFGHJF-NRFANRHFSA-N 1 0 465.558 2.622 20 0 JFADRO CCOC(=O)c1ccc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)n1 ZINC001164713933 720194029 /nfs/dbraw/zinc/19/40/29/720194029.db2.gz FIDLPWWMKUTSLS-SFHVURJKSA-N 1 0 498.962 2.801 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)c1cc(C3CC3)nnc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164715169 720198242 /nfs/dbraw/zinc/19/82/42/720198242.db2.gz JJIHUFBOWPWTDC-SFHVURJKSA-N 1 0 467.952 2.897 20 0 JFADRO Cc1cnc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1-c1ccccc1F ZINC001164717201 720205318 /nfs/dbraw/zinc/20/53/18/720205318.db2.gz GIUDGEJSMIWAHS-OAQYLSRUSA-N 1 0 451.550 2.936 20 0 JFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814082 720218413 /nfs/dbraw/zinc/21/84/13/720218413.db2.gz SHKGESJWBYRZKP-UHFFFAOYSA-N 1 0 469.920 2.874 20 0 JFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814726 720223859 /nfs/dbraw/zinc/22/38/59/720223859.db2.gz WXFZVTGMDYFEBZ-UHFFFAOYSA-N 1 0 470.961 2.877 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1ncn3Cc1ccccc1F)CCC2 ZINC001164811917 720228825 /nfs/dbraw/zinc/22/88/25/720228825.db2.gz AOFSBQCNOAYRRS-UHFFFAOYSA-N 1 0 476.560 2.821 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@](F)(COc1cncc(Cl)n1)C(F)F)CCC2 ZINC001164812828 720239573 /nfs/dbraw/zinc/23/95/73/720239573.db2.gz IVBAUQFLAVFYNB-HXUWFJFHSA-N 1 0 474.915 2.743 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC001164818552 720300366 /nfs/dbraw/zinc/30/03/66/720300366.db2.gz AEVPXHCQIGJXQR-FTJBHMTQSA-N 1 0 474.653 2.946 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2CCN(Cc2ccccc2)C3)CC1 ZINC001164822558 720313211 /nfs/dbraw/zinc/31/32/11/720313211.db2.gz NAJWURPFPSCMHC-CLJLJLNGSA-N 1 0 474.653 2.946 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832988 720319150 /nfs/dbraw/zinc/31/91/50/720319150.db2.gz VFGRHOQCYZNJBF-LEWJYISDSA-N 1 0 482.629 2.890 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832990 720319347 /nfs/dbraw/zinc/31/93/47/720319347.db2.gz VFGRHOQCYZNJBF-NHCUHLMSSA-N 1 0 482.629 2.890 20 0 JFADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1)OCC ZINC001164834174 720319459 /nfs/dbraw/zinc/31/94/59/720319459.db2.gz YOEIAGWZJKEDGO-PMACEKPBSA-N 1 0 480.053 2.983 20 0 JFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164829433 720323613 /nfs/dbraw/zinc/32/36/13/720323613.db2.gz LWELTZSPVHHNTR-IRXDYDNUSA-N 1 0 470.948 2.978 20 0 JFADRO CCOC(=O)c1cc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2s1 ZINC001164823868 720328950 /nfs/dbraw/zinc/32/89/50/720328950.db2.gz BNETYBGEWFBQKQ-MSOLQXFVSA-N 1 0 457.600 2.780 20 0 JFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164828732 720337809 /nfs/dbraw/zinc/33/78/09/720337809.db2.gz POJPKFBGMGGCPA-QZTJIDSGSA-N 1 0 470.948 2.978 20 0 JFADRO 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COC(=O)c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164871438 721071414 /nfs/dbraw/zinc/07/14/14/721071414.db2.gz YVMQJRGWAWLRDL-SJORKVTESA-N 1 0 452.889 2.941 20 0 JFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164764462 721075534 /nfs/dbraw/zinc/07/55/34/721075534.db2.gz HUAJXEOUMRKIOL-MOPGFXCFSA-N 1 0 459.554 2.751 20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865681 721081358 /nfs/dbraw/zinc/08/13/58/721081358.db2.gz OGAYQWDFYHZFKS-JKSUJKDBSA-N 1 0 452.889 2.941 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164863553 721083122 /nfs/dbraw/zinc/08/31/22/721083122.db2.gz CVGIEMVRMWJQPC-CVEARBPZSA-N 1 0 452.889 2.941 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)n1 ZINC001164863557 721083307 /nfs/dbraw/zinc/08/33/07/721083307.db2.gz CVGIEMVRMWJQPC-HZPDHXFCSA-N 1 0 452.889 2.941 20 0 JFADRO 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Cc1cc2nc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164863535 721109071 /nfs/dbraw/zinc/10/90/71/721109071.db2.gz CSMQYVTVBKJYPV-WOJBJXKFSA-N 1 0 466.611 2.711 20 0 JFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)cc1 ZINC001164875474 721125012 /nfs/dbraw/zinc/12/50/12/721125012.db2.gz LQTIYMJLRYSDRO-TZIWHRDSSA-N 1 0 481.578 2.547 20 0 JFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)cc1 ZINC001164875470 721125313 /nfs/dbraw/zinc/12/53/13/721125313.db2.gz LQTIYMJLRYSDRO-PZJWPPBQSA-N 1 0 481.578 2.547 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)nc2N1C1CCCC1 ZINC001164772236 721133101 /nfs/dbraw/zinc/13/31/01/721133101.db2.gz UOYOSJSRLFFYPB-RZUBCFFCSA-N 1 0 478.645 2.672 20 0 JFADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164877608 721133785 /nfs/dbraw/zinc/13/37/85/721133785.db2.gz OZVLRNYSIBYBDA-YADHBBJMSA-N 1 0 490.589 2.543 20 0 JFADRO O=S(=O)(c1ccccc1)n1ccc2cnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164877607 721135052 /nfs/dbraw/zinc/13/50/52/721135052.db2.gz OZVLRNYSIBYBDA-VXKWHMMOSA-N 1 0 490.589 2.543 20 0 JFADRO CN(C)C(=O)c1cc2cnc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164764904 721135111 /nfs/dbraw/zinc/13/51/11/721135111.db2.gz ILPXPPMRRVBFMX-FPOVZHCZSA-N 1 0 476.629 2.940 20 0 JFADRO O=C(Nc1nncs1)c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164877614 721156869 /nfs/dbraw/zinc/15/68/69/721156869.db2.gz PBDVOYYHTKENBO-IAGOWNOFSA-N 1 0 471.974 2.714 20 0 JFADRO Cc1cc2nc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164762071 721158907 /nfs/dbraw/zinc/15/89/07/721158907.db2.gz BQQPVWLNXNITDI-OALUTQOASA-N 1 0 453.616 2.528 20 0 JFADRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncccc4C(=O)N4CCN(Cc5ccccc5)CC4)C[C@H]3C2)cn1 ZINC001164762090 721162589 /nfs/dbraw/zinc/16/25/89/721162589.db2.gz BWNRKNPDBSGASU-CLJLJLNGSA-N 1 0 499.663 2.731 20 0 JFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164774341 721174030 /nfs/dbraw/zinc/17/40/30/721174030.db2.gz YJKJTPTYHZKYMH-ZWKOTPCHSA-N 1 0 454.575 2.545 20 0 JFADRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C[C@H]3C2)cn1 ZINC001164765896 721211473 /nfs/dbraw/zinc/21/14/73/721211473.db2.gz IPHNWBOVVMMGFL-GOEBONIOSA-N 1 0 458.979 2.531 20 0 JFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(SCc4ccccc4)ncn3)CC2)C1 ZINC001164879164 721287827 /nfs/dbraw/zinc/28/78/27/721287827.db2.gz VXHYMLBTBYNOLA-UHFFFAOYSA-N 1 0 455.628 2.776 20 0 JFADRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(-c4nc(-c5cccs5)no4)ccn3)CC2)C1 ZINC001164876620 721288894 /nfs/dbraw/zinc/28/88/94/721288894.db2.gz KDPPDDGCTUYUKC-UHFFFAOYSA-N 1 0 482.610 2.867 20 0 JFADRO COC(=O)c1cc2c(nc1N1CCCC1)CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164776218 721308670 /nfs/dbraw/zinc/30/86/70/721308670.db2.gz MNUHARULTOFOAU-UHFFFAOYSA-N 1 0 465.598 2.943 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3CCC[C@@]4(C3)COCC[N@H+](Cc3c(C)noc3C)C4)nn2)CC1 ZINC001164785294 721358077 /nfs/dbraw/zinc/35/80/77/721358077.db2.gz UBBASYXXVWOGSW-AREMUKBSSA-N 1 0 498.628 2.590 20 0 JFADRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)C2)C1 ZINC001164779969 721367869 /nfs/dbraw/zinc/36/78/69/721367869.db2.gz BPGJXOFRXVUGKG-SANMLTNESA-N 1 0 496.612 2.636 20 0 JFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164885622 721387159 /nfs/dbraw/zinc/38/71/59/721387159.db2.gz CVMMZQOINJCSKZ-KBMIEXCESA-N 1 0 453.587 2.572 20 0 JFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164892894 721409432 /nfs/dbraw/zinc/40/94/32/721409432.db2.gz ZBDRHQNWQZKFEY-FDDCHVKYSA-N 1 0 451.011 2.986 20 0 JFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892424 721411786 /nfs/dbraw/zinc/41/17/86/721411786.db2.gz YDSKEUHFFZSEOB-CJFMBICVSA-N 1 0 453.587 2.572 20 0 JFADRO CCOC(Cc1c(Cl)ncnc1N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2)OCC ZINC001164883536 721411992 /nfs/dbraw/zinc/41/19/92/721411992.db2.gz APHAXFNLXJUZPZ-DVECYGJZSA-N 1 0 482.069 2.837 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5COC(=O)C(C)(C)C)C3)O2)CC1 ZINC001164891991 721412285 /nfs/dbraw/zinc/41/22/85/721412285.db2.gz XUAZNJVZHRVJOF-RXFWQSSRSA-N 1 0 484.645 2.744 20 0 JFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886224 721412470 /nfs/dbraw/zinc/41/24/70/721412470.db2.gz IHCRQXBCAVLYLC-MHECFPHRSA-N 1 0 474.005 2.835 20 0 JFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891380 721418196 /nfs/dbraw/zinc/41/81/96/721418196.db2.gz VRWLNZVNYRAVBM-FDDCHVKYSA-N 1 0 451.011 2.986 20 0 JFADRO Cc1cc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc(N3CCOCC3)c2s1 ZINC001164884556 721421160 /nfs/dbraw/zinc/42/11/60/721421160.db2.gz DWZAWRZMDFCQLY-CPJSRVTESA-N 1 0 486.686 2.602 20 0 JFADRO COC(=O)C[C@H](c1ccnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1)C1CC1 ZINC001164891558 721431476 /nfs/dbraw/zinc/43/14/76/721431476.db2.gz GWJDZSIVYKSXTM-MVERNJQCSA-N 1 0 456.631 2.904 20 0 JFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2)C1 ZINC001164890774 721433131 /nfs/dbraw/zinc/43/31/31/721433131.db2.gz FKESKGQBDNMMRY-VIICAESSSA-N 1 0 455.647 2.719 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc5ccc(Cl)nc5[nH]4)C3)O2)CC1 ZINC001164888685 721439097 /nfs/dbraw/zinc/43/90/97/721439097.db2.gz AIQGILWBPIBQFN-YWZLYKJASA-N 1 0 454.953 2.922 20 0 JFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(C(=O)Nc5nncs5)cc4Cl)C3)O2)CC1 ZINC001164895366 721439850 /nfs/dbraw/zinc/43/98/50/721439850.db2.gz NYZONTPGKWEXEP-VGOFRKELSA-N 1 0 492.049 2.604 20 0 JFADRO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c(OC)c1 ZINC001164888673 721441570 /nfs/dbraw/zinc/44/15/70/721441570.db2.gz ACQNERVXEANQBS-RLWLMLJZSA-N 1 0 467.614 2.926 20 0 JFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)C3)O2)CC1 ZINC001164897061 721444410 /nfs/dbraw/zinc/44/44/10/721444410.db2.gz SJDSIAXHGQSVEM-NAKRPHOHSA-N 1 0 492.668 2.746 20 0 JFADRO CCOC(=O)Cc1c(Cl)ncnc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164782793 721460243 /nfs/dbraw/zinc/46/02/43/721460243.db2.gz CBHPGYPZPTVDQO-IBGZPJMESA-N 1 0 481.037 2.970 20 0 JFADRO CNC(=O)c1nc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)ccc1Cl ZINC001164788623 721462373 /nfs/dbraw/zinc/46/23/73/721462373.db2.gz UVVUYHFCHUDCSU-GOSISDBHSA-N 1 0 451.011 2.829 20 0 JFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164788645 721464007 /nfs/dbraw/zinc/46/40/07/721464007.db2.gz VDPYOMDHVQLDEK-NRFANRHFSA-N 1 0 460.619 2.757 20 0 JFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788625 721464367 /nfs/dbraw/zinc/46/43/67/721464367.db2.gz UWFJEXZSZUZTNV-FQEVSTJZSA-N 1 0 485.629 2.879 20 0 JFADRO CCOC(=O)c1nc2ccn(C)c2c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1 ZINC001164788627 721464806 /nfs/dbraw/zinc/46/48/06/721464806.db2.gz UWFJEXZSZUZTNV-HXUWFJFHSA-N 1 0 485.629 2.879 20 0 JFADRO c1ccc(CN2CCc3ncnc(N(C[C@@H]4OC[C@@H]5CC[NH2+]C[C@H]54)c4ncccn4)c3C2)cc1 ZINC001164792073 721484126 /nfs/dbraw/zinc/48/41/26/721484126.db2.gz LIDNRMDLADMBCN-IMSXRSKXSA-N 1 0 457.582 2.588 20 0 JFADRO c1ccc(CN2CCc3ncnc(N(C[C@@H]4OC[C@H]5CC[NH2+]C[C@H]45)c4ncccn4)c3C2)cc1 ZINC001164792069 721484293 /nfs/dbraw/zinc/48/42/93/721484293.db2.gz LIDNRMDLADMBCN-DPLHUUCSSA-N 1 0 457.582 2.588 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C(=O)NCc4ccccc4)cc(Cl)n2)CC3)CC1 ZINC001164794143 721510902 /nfs/dbraw/zinc/51/09/02/721510902.db2.gz HIZCKWKNIVJVEZ-UHFFFAOYSA-N 1 0 480.016 2.629 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)ncc2OCc2ccccc2)CC3)CC1 ZINC001164794265 721514649 /nfs/dbraw/zinc/51/46/49/721514649.db2.gz MJRNKQBIAGWTLQ-UHFFFAOYSA-N 1 0 453.978 2.673 20 0 JFADRO Cc1sc2nc(CN3CCCC3)nc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164798290 721518466 /nfs/dbraw/zinc/51/84/66/721518466.db2.gz RWVYZRRYPAZXDO-UHFFFAOYSA-N 1 0 480.686 2.868 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc(C(=O)Nc4cccc(Cl)c4)cn2)CC3)CC1 ZINC001164799069 721519609 /nfs/dbraw/zinc/51/96/09/721519609.db2.gz WGHGPQYMPLJMFP-UHFFFAOYSA-N 1 0 465.989 2.951 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC(C)=O ZINC001164907126 721546094 /nfs/dbraw/zinc/54/60/94/721546094.db2.gz MEIZOYKGKOOGQX-ICSRJNTNSA-N 1 0 480.496 2.961 20 0 JFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C(=O)OCC ZINC001164908703 721567765 /nfs/dbraw/zinc/56/77/65/721567765.db2.gz RSTPKKBRYMEBJJ-HKUYNNGSSA-N 1 0 457.502 2.916 20 0 JFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1C(=O)OCC ZINC001164908706 721567872 /nfs/dbraw/zinc/56/78/72/721567872.db2.gz RSTPKKBRYMEBJJ-IEBWSBKVSA-N 1 0 457.502 2.916 20 0 JFADRO CN(C)C(=O)[C@H]1CC12CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)CC2 ZINC001164903561 721570383 /nfs/dbraw/zinc/57/03/83/721570383.db2.gz CPHZXGJNOKKXLG-AZUAARDMSA-N 1 0 471.646 2.575 20 0 JFADRO CCOC[C@H]1c2c(cnn2CC2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164902245 721578415 /nfs/dbraw/zinc/57/84/15/721578415.db2.gz DQNZXLIZDGLJBW-QFIPXVFZSA-N 1 0 454.619 2.597 20 0 JFADRO COC(=O)C1CCN(c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1 ZINC001164908136 721715169 /nfs/dbraw/zinc/71/51/69/721715169.db2.gz VYRYHCINGVXTRI-DEOSSOPVSA-N 1 0 486.567 2.999 20 0 JFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001165010134 721736823 /nfs/dbraw/zinc/73/68/23/721736823.db2.gz BORAZGPMDSUQQA-UHFFFAOYSA-N 1 0 459.978 2.983 20 0 JFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)CC1 ZINC001165012487 721746680 /nfs/dbraw/zinc/74/66/80/721746680.db2.gz JJOBSVZSDLPHHE-UHFFFAOYSA-N 1 0 493.580 2.684 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)nc1 ZINC001165013562 721758187 /nfs/dbraw/zinc/75/81/87/721758187.db2.gz NVXHJTQVDAUIAI-JVNMPXIPSA-N 1 0 452.603 2.918 20 0 JFADRO O=C([C@H]1C[C@@]2(CO1)CCCN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)C2)N1CCOCC1 ZINC001165016207 721775213 /nfs/dbraw/zinc/77/52/13/721775213.db2.gz OLIXBMXSEBXTGV-NAKRPHOHSA-N 1 0 476.621 2.874 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165026439 721817419 /nfs/dbraw/zinc/81/74/19/721817419.db2.gz QGIWMAVCEMJPHE-WWNPGLIZSA-N 1 0 464.614 2.998 20 0 JFADRO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)CC1 ZINC001165025494 721817828 /nfs/dbraw/zinc/81/78/28/721817828.db2.gz MXRVRACDXAEKEL-PMVMPFDFSA-N 1 0 464.614 2.998 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(S(=O)(=O)NC(C)C)cn2)CC1 ZINC001165020305 721843465 /nfs/dbraw/zinc/84/34/65/721843465.db2.gz BYWNBNHTZZLHCS-UHFFFAOYSA-N 1 0 462.616 2.886 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(S(=O)(=O)NC3CC3)cn2)CC1 ZINC001165022626 721843769 /nfs/dbraw/zinc/84/37/69/721843769.db2.gz QPUMBKSGNGUYQM-UHFFFAOYSA-N 1 0 460.600 2.640 20 0 JFADRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC001164929176 721879069 /nfs/dbraw/zinc/87/90/69/721879069.db2.gz AGZYJLUXUWOSGE-WOJBJXKFSA-N 1 0 470.687 2.617 20 0 JFADRO C[NH+]1CCN(c2ccc(N3CCC4(C=C(C(=O)N5CCCC5)c5ccccc54)CC3)nn2)CC1 ZINC001164926967 721899362 /nfs/dbraw/zinc/89/93/62/721899362.db2.gz DSCYCPMMODPDHH-UHFFFAOYSA-N 1 0 458.610 2.786 20 0 JFADRO C(c1nc2sc3c(c2c(N2CC[NH+](C[C@H]4CCCO4)CC2)n1)CCCC3)N1CCOCC1 ZINC000641935247 721917683 /nfs/dbraw/zinc/91/76/83/721917683.db2.gz OJQDQYNLFRXOTJ-GOSISDBHSA-N 1 0 457.644 2.703 20 0 JFADRO Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2COC[C@H]12 ZINC001164960107 722038466 /nfs/dbraw/zinc/03/84/66/722038466.db2.gz JJIKWVVEDPVWGY-QWFCFKBJSA-N 1 0 477.943 2.629 20 0 JFADRO C[NH+]1CCN(c2ccc(N3CCC(c4nc5ccc(-c6cccnc6)cn5n4)CC3)nn2)CC1 ZINC001164959706 722049527 /nfs/dbraw/zinc/04/95/27/722049527.db2.gz RQYPVZSONLROHY-UHFFFAOYSA-N 1 0 455.570 2.717 20 0 JFADRO c1cc(C[N@@H+]2CCOCC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)ccn1 ZINC001164959991 722059227 /nfs/dbraw/zinc/05/92/27/722059227.db2.gz BQJXNXGRJDLFIJ-UHFFFAOYSA-N 1 0 478.645 2.586 20 0 JFADRO O=C1[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164969156 722082359 /nfs/dbraw/zinc/08/23/59/722082359.db2.gz KMOWMEVBDXEJGA-DHIUTWEWSA-N 1 0 468.573 2.949 20 0 JFADRO CC(C)C(=O)N1CCN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@]2(CCCC(=O)N2)C1 ZINC001164972755 722088006 /nfs/dbraw/zinc/08/80/06/722088006.db2.gz MRFGMLCFZUHYPZ-MUUNZHRXSA-N 1 0 475.637 2.983 20 0 JFADRO Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164982373 722092631 /nfs/dbraw/zinc/09/26/31/722092631.db2.gz QAFNJXHZCMRILJ-CUYJMHBOSA-N 1 0 472.593 2.540 20 0 JFADRO NC(=O)c1ccc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164976471 722101536 /nfs/dbraw/zinc/10/15/36/722101536.db2.gz DJRZSDBFNLCQJA-DOTOQJQBSA-N 1 0 451.905 2.501 20 0 JFADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982698 722125153 /nfs/dbraw/zinc/12/51/53/722125153.db2.gz XSOPVADRLWCLLK-QZTJIDSGSA-N 1 0 479.412 2.742 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH]1 ZINC001164981894 722127604 /nfs/dbraw/zinc/12/76/04/722127604.db2.gz VKDMSFJGAZIKDA-QAPCUYQASA-N 1 0 456.934 2.520 20 0 JFADRO Cc1cc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164978183 722128061 /nfs/dbraw/zinc/12/80/61/722128061.db2.gz NSVXMTFZVWQOLI-IRLDBZIGSA-N 1 0 480.638 2.959 20 0 JFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)cc1 ZINC001164983775 722134825 /nfs/dbraw/zinc/13/48/25/722134825.db2.gz UURUVPIHAMPOFX-NFBKMPQASA-N 1 0 495.605 2.795 20 0 JFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983844 722136515 /nfs/dbraw/zinc/13/65/15/722136515.db2.gz VRURBASIQXQLLW-MAUKXSAKSA-N 1 0 451.905 2.501 20 0 JFADRO c1ccc(N2CCN(c3ccc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@@H]5C4)nn3)CC2)cc1 ZINC001164984232 722142172 /nfs/dbraw/zinc/14/21/72/722142172.db2.gz WPCCQCGWGLCOCU-AOYPEHQESA-N 1 0 485.636 2.926 20 0 JFADRO COC(=O)c1nc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164972192 722156230 /nfs/dbraw/zinc/15/62/30/722156230.db2.gz GOHNBMQDOLLDPU-GJZGRUSLSA-N 1 0 452.342 2.692 20 0 JFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(=O)OCC ZINC001164977122 722158014 /nfs/dbraw/zinc/15/80/14/722158014.db2.gz XDTFCBMIPWXQFI-TZIWHRDSSA-N 1 0 468.554 2.557 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164991370 722189026 /nfs/dbraw/zinc/18/90/26/722189026.db2.gz PQVCJWAIRDMJIM-JOCHJYFZSA-N 1 0 451.615 2.874 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)CCC2 ZINC001165002947 722253613 /nfs/dbraw/zinc/25/36/13/722253613.db2.gz XZDCYYSGIFPEKG-UHFFFAOYSA-N 1 0 469.590 2.663 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1ncn3Cc1ccccc1F)CCC2 ZINC001165002351 722254473 /nfs/dbraw/zinc/25/44/73/722254473.db2.gz NWHFJIBJTAAVJL-UHFFFAOYSA-N 1 0 464.549 2.699 20 0 JFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165002324 722254510 /nfs/dbraw/zinc/25/45/10/722254510.db2.gz NRGOCXMXDAZNAO-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO COc1ccc(-c2ccc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nn2)c(OC)c1OC ZINC001165004856 722257372 /nfs/dbraw/zinc/25/73/72/722257372.db2.gz WDBVKSCTGZYLOW-UHFFFAOYSA-N 1 0 482.585 2.854 20 0 JFADRO CO[C@@]1(C)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001299740335 1059491298 /nfs/dbraw/zinc/49/12/98/1059491298.db2.gz PDYHZGICEBNSMH-VWLOTQADSA-N 1 0 470.618 2.508 20 0 JFADRO CO[C@@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001299740853 1059496387 /nfs/dbraw/zinc/49/63/87/1059496387.db2.gz VCZYTFHVTVBZLK-SANMLTNESA-N 1 0 484.645 2.945 20 0 JFADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)c(C)c2)CC1 ZINC001264048658 1059512521 /nfs/dbraw/zinc/51/25/21/1059512521.db2.gz YBIZKSHVNWSZBY-VWLOTQADSA-N 1 0 455.603 2.966 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109360 1059520366 /nfs/dbraw/zinc/52/03/66/1059520366.db2.gz OPSPPYTWCWSNGR-FCHUYYIVSA-N 1 0 459.616 2.515 20 0 JFADRO Cn1nc(I)cc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001264835538 1059700766 /nfs/dbraw/zinc/70/07/66/1059700766.db2.gz ZBKYWTRGXZTUDT-UHFFFAOYSA-N 1 0 456.353 2.868 20 0 JFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cn4c(Br)cnc4s3)cc21 ZINC001264843180 1059703034 /nfs/dbraw/zinc/70/30/34/1059703034.db2.gz IMSZSUMKLXZPRN-UHFFFAOYSA-N 1 0 450.318 2.880 20 0 JFADRO CC[NH+](CC)CCn1ccc2cc(NC(=O)c3cc4c(s3)n(C)c(=O)n(C)c4=O)ccc21 ZINC001264859918 1059709385 /nfs/dbraw/zinc/70/93/85/1059709385.db2.gz YCUZSZWPYXYQHN-UHFFFAOYSA-N 1 0 453.568 2.848 20 0 JFADRO C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890957 1059719065 /nfs/dbraw/zinc/71/90/65/1059719065.db2.gz MNBNJENRAGRBDZ-UYAOXDASSA-N 1 0 453.562 2.702 20 0 JFADRO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264890954 1059719188 /nfs/dbraw/zinc/71/91/88/1059719188.db2.gz MNBNJENRAGRBDZ-AZUAARDMSA-N 1 0 453.562 2.702 20 0 JFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)cc2)C1 ZINC001264894778 1059720453 /nfs/dbraw/zinc/72/04/53/1059720453.db2.gz XIXKSMDYXRYROH-HXUWFJFHSA-N 1 0 455.580 2.820 20 0 JFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC001264984493 1059745405 /nfs/dbraw/zinc/74/54/05/1059745405.db2.gz NFJPWYGSTCWIIN-UHFFFAOYSA-N 1 0 450.381 2.860 20 0 JFADRO CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC001265018870 1059752094 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/nfs/dbraw/zinc/85/96/72/1059859672.db2.gz BDLLNEHNASTIGX-XXBNENTESA-N 1 0 456.543 2.516 20 0 JFADRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001280022345 1059999205 /nfs/dbraw/zinc/99/92/05/1059999205.db2.gz MMWKZPYCHVDIBR-SJLPKXTDSA-N 1 0 458.024 2.696 20 0 JFADRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001280022343 1059999252 /nfs/dbraw/zinc/99/92/52/1059999252.db2.gz MMWKZPYCHVDIBR-AEFFLSMTSA-N 1 0 458.024 2.696 20 0 JFADRO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192488 1060001309 /nfs/dbraw/zinc/00/13/09/1060001309.db2.gz BABVGJBPKDDZFA-SJORKVTESA-N 1 0 454.017 2.945 20 0 JFADRO Brc1ccccc1-c1nnc(N2CCCOCC2)n1CC[NH+]1CCSCC1 ZINC001286266253 1060026975 /nfs/dbraw/zinc/02/69/75/1060026975.db2.gz DPVCRPBDFXPNEH-UHFFFAOYSA-N 1 0 452.422 2.983 20 0 JFADRO Brc1ccc(OCc2nnc(N3CCCOCC3)n2CC[NH+]2CCCC2)cc1 ZINC001286268439 1060027569 /nfs/dbraw/zinc/02/75/69/1060027569.db2.gz 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20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC001286883553 1061314593 /nfs/dbraw/zinc/31/45/93/1061314593.db2.gz QCBZFVQTGVUZKD-SLFFLAALSA-N 1 0 472.609 2.564 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)[C@H](C)C1 ZINC001286884546 1061319491 /nfs/dbraw/zinc/31/94/91/1061319491.db2.gz ULLJKTXZTUMXEH-ISKFKSNPSA-N 1 0 498.672 2.888 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC001286885225 1061322618 /nfs/dbraw/zinc/32/26/18/1061322618.db2.gz YVDHJCXTXWDIMD-HXOBKFHXSA-N 1 0 460.623 2.502 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)cc1C ZINC001289714920 1061322649 /nfs/dbraw/zinc/32/26/49/1061322649.db2.gz LWVCEEDKNOIRHU-VWLOTQADSA-N 1 0 485.702 2.797 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)cc1C ZINC001289715124 1061323023 /nfs/dbraw/zinc/32/30/23/1061323023.db2.gz UCZAFGYOJMQHPK-DEOSSOPVSA-N 1 0 497.688 2.717 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCC3)CC2)cc1C ZINC001289715119 1061323143 /nfs/dbraw/zinc/32/31/43/1061323143.db2.gz TXISIGQAGPSKQJ-UHFFFAOYSA-N 1 0 453.635 2.846 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1C ZINC001289721739 1061329287 /nfs/dbraw/zinc/32/92/87/1061329287.db2.gz QDYUNBVFVYJVKQ-LEWJYISDSA-N 1 0 490.674 2.747 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887467 1061336527 /nfs/dbraw/zinc/33/65/27/1061336527.db2.gz RNTWRFMIRYQLQG-AKIFATBCSA-N 1 0 459.683 2.511 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289727680 1061336572 /nfs/dbraw/zinc/33/65/72/1061336572.db2.gz RROIHQMOYWJYIE-FQEVSTJZSA-N 1 0 471.650 2.644 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289728901 1061338385 /nfs/dbraw/zinc/33/83/85/1061338385.db2.gz JUZURIJJILMMMJ-WOJBJXKFSA-N 1 0 467.618 2.579 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286888150 1061339892 /nfs/dbraw/zinc/33/98/92/1061339892.db2.gz KPDRGXBXMNEXLZ-RTBURBONSA-N 1 0 488.608 2.553 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289730985 1061340835 /nfs/dbraw/zinc/34/08/35/1061340835.db2.gz YMLWQJXJYGFEQY-RNHFSVANSA-N 1 0 470.618 2.872 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289735818 1061348591 /nfs/dbraw/zinc/34/85/91/1061348591.db2.gz UBKAAHOZQOQVSW-VGOFRKELSA-N 1 0 480.535 2.993 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001289740639 1061354590 /nfs/dbraw/zinc/35/45/90/1061354590.db2.gz UNVGWPBPVSCZCP-FQEVSTJZSA-N 1 0 469.634 2.968 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001289740867 1061355605 /nfs/dbraw/zinc/35/56/05/1061355605.db2.gz QSPXTAVAKHSDNU-UHFFFAOYSA-N 1 0 493.612 2.977 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CCCn2cccn2)cc1C ZINC001289740891 1061355782 /nfs/dbraw/zinc/35/57/82/1061355782.db2.gz RDTZGNFSPGXPSJ-UHFFFAOYSA-N 1 0 450.591 2.964 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCn2cnnn2)cc1C ZINC001289743186 1061359452 /nfs/dbraw/zinc/35/94/52/1061359452.db2.gz KGJUIUXSNIVALQ-UHFFFAOYSA-N 1 0 494.648 2.782 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CC(=O)N(C)C)cc1C ZINC001289743360 1061360058 /nfs/dbraw/zinc/36/00/58/1061360058.db2.gz OKHNAEIHMGBZFI-UHFFFAOYSA-N 1 0 469.634 2.794 20 0 JFADRO CC(=O)N1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001286891440 1061360487 /nfs/dbraw/zinc/36/04/87/1061360487.db2.gz XOASHAXTRMXVQD-UHFFFAOYSA-N 1 0 474.053 2.541 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289746464 1061363607 /nfs/dbraw/zinc/36/36/07/1061363607.db2.gz HROMJIBDCOMDIF-QUCCMNQESA-N 1 0 483.617 2.670 20 0 JFADRO CC(=O)N1CCN(CCn2c(-c3ccccc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001286892546 1061365145 /nfs/dbraw/zinc/36/51/45/1061365145.db2.gz WUYNKODQZIRVKU-UHFFFAOYSA-N 1 0 467.662 2.666 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289748043 1061367354 /nfs/dbraw/zinc/36/73/54/1061367354.db2.gz WNCKLUBJIMUQCI-PNCHPQGNSA-N 1 0 458.632 2.544 20 0 JFADRO CC(=O)Nc1ccc(CCn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001286893116 1061367731 /nfs/dbraw/zinc/36/77/31/1061367731.db2.gz GTXWHXACVXHFLW-QFIPXVFZSA-N 1 0 454.619 2.836 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001289751669 1061373448 /nfs/dbraw/zinc/37/34/48/1061373448.db2.gz WKZYSVORIVPBMW-UHFFFAOYSA-N 1 0 469.634 2.922 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001289752716 1061374535 /nfs/dbraw/zinc/37/45/35/1061374535.db2.gz CTBXQNOPKKRHAI-HXUWFJFHSA-N 1 0 467.618 2.735 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)cc1 ZINC001289753310 1061375366 /nfs/dbraw/zinc/37/53/66/1061375366.db2.gz JNVGLGLXZRZYJJ-PZJWPPBQSA-N 1 0 467.618 2.877 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289753881 1061375433 /nfs/dbraw/zinc/37/54/33/1061375433.db2.gz OATNUTSMTWPCPK-UHFFFAOYSA-N 1 0 463.586 2.834 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001289754969 1061377374 /nfs/dbraw/zinc/37/73/74/1061377374.db2.gz YIAMHCQIYPCXCX-UHFFFAOYSA-N 1 0 451.575 2.769 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001289755540 1061378397 /nfs/dbraw/zinc/37/83/97/1061378397.db2.gz DKIAZNUGKUUZNY-FGZHOGPDSA-N 1 0 470.618 2.870 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001289755537 1061378502 /nfs/dbraw/zinc/37/85/02/1061378502.db2.gz DKIAZNUGKUUZNY-FCHUYYIVSA-N 1 0 470.618 2.870 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289756571 1061379141 /nfs/dbraw/zinc/37/91/41/1061379141.db2.gz LSRQDCZSNUCMCO-JOCHJYFZSA-N 1 0 481.645 2.904 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[NH+]2CCCC2)n1 ZINC001289756929 1061379516 /nfs/dbraw/zinc/37/95/16/1061379516.db2.gz NUZWHJPLHFVDNE-UHFFFAOYSA-N 1 0 450.591 2.619 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001286900256 1061391340 /nfs/dbraw/zinc/39/13/40/1061391340.db2.gz CXXNZKKXPVZQOB-OSFYOIPJSA-N 1 0 464.618 2.964 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286900442 1061391721 /nfs/dbraw/zinc/39/17/21/1061391721.db2.gz GMPMMMAMTOGXER-OSFYOIPJSA-N 1 0 456.639 2.827 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001289774563 1061396394 /nfs/dbraw/zinc/39/63/94/1061396394.db2.gz RZQLAYOOKWVTFU-PMACEKPBSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286902783 1061399029 /nfs/dbraw/zinc/39/90/29/1061399029.db2.gz CURDGIDFTIXFPO-VWRAKTAISA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001286902784 1061399064 /nfs/dbraw/zinc/39/90/64/1061399064.db2.gz CURDGIDFTIXFPO-YGWXTMFKSA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286903416 1061402779 /nfs/dbraw/zinc/40/27/79/1061402779.db2.gz BIJKBNCLAZZWEV-UYAOXDASSA-N 1 0 482.633 2.541 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001289782975 1061406553 /nfs/dbraw/zinc/40/65/53/1061406553.db2.gz PRRMNNATTDWTEJ-HSZRJFAPSA-N 1 0 467.618 2.892 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(C)o3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001286904554 1061410865 /nfs/dbraw/zinc/41/08/65/1061410865.db2.gz UOMJKLQWNMEDQI-UHFFFAOYSA-N 1 0 458.607 2.841 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001289787829 1061414613 /nfs/dbraw/zinc/41/46/13/1061414613.db2.gz QXODWHHEEPXBHH-RUZDIDTESA-N 1 0 488.702 2.680 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289790643 1061416045 /nfs/dbraw/zinc/41/60/45/1061416045.db2.gz JEFXKZYTCWCGFQ-IFMALSPDSA-N 1 0 454.619 2.953 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286905265 1061417418 /nfs/dbraw/zinc/41/74/18/1061417418.db2.gz ZAIZWMICAWWZPF-PUDLTMERSA-N 1 0 490.693 2.943 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001286906564 1061427757 /nfs/dbraw/zinc/42/77/57/1061427757.db2.gz DWQDHLWLENVBBX-OFVILXPXSA-N 1 0 476.666 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1C ZINC001289802634 1061438813 /nfs/dbraw/zinc/43/88/13/1061438813.db2.gz LYMTXZDLYZNQQZ-OAQYLSRUSA-N 1 0 484.645 2.677 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC001289802633 1061438844 /nfs/dbraw/zinc/43/88/44/1061438844.db2.gz LYMTXZDLYZNQQZ-NRFANRHFSA-N 1 0 484.645 2.677 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001286908089 1061440739 /nfs/dbraw/zinc/44/07/39/1061440739.db2.gz XTSFUSASWWLDPX-NVQXNPDNSA-N 1 0 484.645 2.542 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001286908088 1061440769 /nfs/dbraw/zinc/44/07/69/1061440769.db2.gz XTSFUSASWWLDPX-GJZUVCINSA-N 1 0 484.645 2.542 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001289805770 1061444727 /nfs/dbraw/zinc/44/47/27/1061444727.db2.gz SIDAJHRCXVHHQB-UHFFFAOYSA-N 1 0 484.689 2.956 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001289808592 1061451705 /nfs/dbraw/zinc/45/17/05/1061451705.db2.gz JXTIRXSUXGVOIN-CTNGQTDRSA-N 1 0 463.648 2.765 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289809198 1061452458 /nfs/dbraw/zinc/45/24/58/1061452458.db2.gz OJSHWMHJQRYXHU-VXKWHMMOSA-N 1 0 475.659 2.909 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001286911002 1061460125 /nfs/dbraw/zinc/46/01/25/1061460125.db2.gz DXFPYKPTXVJJFL-WOJBJXKFSA-N 1 0 453.616 2.733 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001289812028 1061461861 /nfs/dbraw/zinc/46/18/61/1061461861.db2.gz LJIDXKILMSOGTK-CPJSRVTESA-N 1 0 454.619 2.858 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001289813178 1061464617 /nfs/dbraw/zinc/46/46/17/1061464617.db2.gz AIZZOOUBSBTKFO-OAQYLSRUSA-N 1 0 454.619 2.989 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001289813577 1061465594 /nfs/dbraw/zinc/46/55/94/1061465594.db2.gz GPETVKCTMMBSCP-QFIPXVFZSA-N 1 0 498.672 2.801 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001289818155 1061474246 /nfs/dbraw/zinc/47/42/46/1061474246.db2.gz KOYMAAQHROUUKI-RBBKRZOGSA-N 1 0 475.659 2.972 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286914297 1061480932 /nfs/dbraw/zinc/48/09/32/1061480932.db2.gz WJGSEFVVVUKERD-ZFGGDYGUSA-N 1 0 468.646 2.668 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286914295 1061481043 /nfs/dbraw/zinc/48/10/43/1061481043.db2.gz WJGSEFVVVUKERD-IMSXRSKXSA-N 1 0 468.646 2.668 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)n2CC(=O)NC(C)C)cc1C ZINC001289824405 1061490568 /nfs/dbraw/zinc/49/05/68/1061490568.db2.gz JDJLIRJEIAVPHD-NRFANRHFSA-N 1 0 484.645 2.688 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001289824817 1061492296 /nfs/dbraw/zinc/49/22/96/1061492296.db2.gz QALOESBHSYWBRY-RUZDIDTESA-N 1 0 486.686 2.907 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCN2CCOC2=O)cc1 ZINC001289826313 1061501566 /nfs/dbraw/zinc/50/15/66/1061501566.db2.gz TVEYKTBKJTYHJV-UHFFFAOYSA-N 1 0 456.591 2.786 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286917225 1061502912 /nfs/dbraw/zinc/50/29/12/1061502912.db2.gz HHABZZLXRSUPTI-HSZRJFAPSA-N 1 0 497.692 2.533 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001286921260 1061516308 /nfs/dbraw/zinc/51/63/08/1061516308.db2.gz BNAAERPJXBZHRW-SFHVURJKSA-N 1 0 458.582 2.833 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001286921667 1061518102 /nfs/dbraw/zinc/51/81/02/1061518102.db2.gz IQMLTNFUGYSENQ-ISKFKSNPSA-N 1 0 495.672 2.914 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286923606 1061526668 /nfs/dbraw/zinc/52/66/68/1061526668.db2.gz OCCDHRQJHWROFL-HSZRJFAPSA-N 1 0 491.640 2.990 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286923826 1061527843 /nfs/dbraw/zinc/52/78/43/1061527843.db2.gz AMKCLYGNPUPTDP-GOSISDBHSA-N 1 0 456.591 2.614 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001286924605 1061530953 /nfs/dbraw/zinc/53/09/53/1061530953.db2.gz BJGMUAITKIKSLY-GOTSBHOMSA-N 1 0 470.666 2.613 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001286925967 1061536736 /nfs/dbraw/zinc/53/67/36/1061536736.db2.gz GMSYZAITWACDIN-WIOPSUGQSA-N 1 0 482.673 2.917 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001286926853 1061541609 /nfs/dbraw/zinc/54/16/09/1061541609.db2.gz HJNZPSYDZMRYLC-UPVQGACJSA-N 1 0 461.614 2.919 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286927064 1061542662 /nfs/dbraw/zinc/54/26/62/1061542662.db2.gz QDTOLVQOQKLXDZ-HOJAQTOUSA-N 1 0 477.654 2.653 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286927080 1061543425 /nfs/dbraw/zinc/54/34/25/1061543425.db2.gz QGJKXUMPXVPZIZ-LJQANCHMSA-N 1 0 481.645 2.982 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCOCC[NH+](C)C)cc1 ZINC001289862037 1061544049 /nfs/dbraw/zinc/54/40/49/1061544049.db2.gz BCOFFNNUFMRYMJ-RTWAWAEBSA-N 1 0 472.659 2.704 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001286928872 1061549707 /nfs/dbraw/zinc/54/97/07/1061549707.db2.gz MWBQNJMLDRBLNE-SQJMNOBHSA-N 1 0 486.686 2.955 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286929196 1061550733 /nfs/dbraw/zinc/55/07/33/1061550733.db2.gz NGHMBZNOHXKVOC-RPWUZVMVSA-N 1 0 467.662 2.984 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC(N4CCNC4=O)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001289870707 1061554202 /nfs/dbraw/zinc/55/42/02/1061554202.db2.gz UBUWHNTUWGHMAQ-SFHVURJKSA-N 1 0 457.648 2.823 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286930300 1061554554 /nfs/dbraw/zinc/55/45/54/1061554554.db2.gz RHXCZSKWELFAOR-XMMPIXPASA-N 1 0 482.673 2.917 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001286930386 1061554959 /nfs/dbraw/zinc/55/49/59/1061554959.db2.gz RDZFYSCNEUMVQD-QFIPXVFZSA-N 1 0 489.064 2.987 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001286930828 1061556371 /nfs/dbraw/zinc/55/63/71/1061556371.db2.gz RWIVNYBELDTTIW-OFNKIYASSA-N 1 0 453.635 2.738 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001286931521 1061557919 /nfs/dbraw/zinc/55/79/19/1061557919.db2.gz YELWIWBTCCAIDX-HSZRJFAPSA-N 1 0 496.635 2.763 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCNC(=O)CC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001289878838 1061563585 /nfs/dbraw/zinc/56/35/85/1061563585.db2.gz KKTSRGDJEYDRQL-FQEVSTJZSA-N 1 0 472.659 2.706 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001289885173 1061569418 /nfs/dbraw/zinc/56/94/18/1061569418.db2.gz SVDHTQFEMQNHQB-KNQAVFIVSA-N 1 0 459.660 2.933 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286934449 1061569883 /nfs/dbraw/zinc/56/98/83/1061569883.db2.gz SWBITRHQFXLMOZ-WOJBJXKFSA-N 1 0 468.650 2.846 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001286936321 1061577732 /nfs/dbraw/zinc/57/77/32/1061577732.db2.gz ZMODLBDFPWPJKY-XMMPIXPASA-N 1 0 478.645 2.795 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(N3CC[NH+](C4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001289894193 1061579072 /nfs/dbraw/zinc/57/90/72/1061579072.db2.gz PEXFNNJMNFMWPR-UHFFFAOYSA-N 1 0 454.619 2.615 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCNC(=O)c2cccc(C)c2)n1 ZINC001289894601 1061579558 /nfs/dbraw/zinc/57/95/58/1061579558.db2.gz SJZJSPXFLXTDEX-UHFFFAOYSA-N 1 0 478.645 2.845 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCC2)CCO1 ZINC001286940334 1061582154 /nfs/dbraw/zinc/58/21/54/1061582154.db2.gz BQFFQESKGFNGBT-HXUWFJFHSA-N 1 0 491.434 2.535 20 0 JFADRO CCCC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC001294103159 1061582927 /nfs/dbraw/zinc/58/29/27/1061582927.db2.gz JHRSVOWZUJRBMA-HSZRJFAPSA-N 1 0 456.631 2.512 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286940610 1061583878 /nfs/dbraw/zinc/58/38/78/1061583878.db2.gz FIDLZXFBOCZBGH-UWJYYQICSA-N 1 0 461.010 2.672 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286940607 1061584067 /nfs/dbraw/zinc/58/40/67/1061584067.db2.gz FIDLZXFBOCZBGH-DYESRHJHSA-N 1 0 461.010 2.672 20 0 JFADRO Cc1cccc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001289897845 1061584310 /nfs/dbraw/zinc/58/43/10/1061584310.db2.gz KZZULGNOUNFDDZ-IBGZPJMESA-N 1 0 462.664 2.715 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CC[N@@H+]1CCOC ZINC001294105540 1061586919 /nfs/dbraw/zinc/58/69/19/1061586919.db2.gz YQZXOQRLMUDHHD-LEWJYISDSA-N 1 0 457.623 2.576 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCCC2)CCO1 ZINC001286941475 1061590459 /nfs/dbraw/zinc/59/04/59/1061590459.db2.gz NUZPEMDPRQYCOC-IBGZPJMESA-N 1 0 479.000 2.955 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001286941474 1061590635 /nfs/dbraw/zinc/59/06/35/1061590635.db2.gz NUZISMGYBLQJJS-HXUWFJFHSA-N 1 0 479.629 2.731 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC[NH+]2CCCC2)CCO1 ZINC001286941746 1061591410 /nfs/dbraw/zinc/59/14/10/1061591410.db2.gz PJDYVMZLIOJCPY-HXUWFJFHSA-N 1 0 491.434 2.535 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001286943068 1061598358 /nfs/dbraw/zinc/59/83/58/1061598358.db2.gz RTOXIDHGGHSUBY-QFIPXVFZSA-N 1 0 454.619 2.717 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)c3ccc(S(N)(=O)=O)cc3)n2CCC[NH+]2CCCC2)n1 ZINC001289909657 1061601103 /nfs/dbraw/zinc/60/11/03/1061601103.db2.gz SMFAGEJBVLDBPM-IBGZPJMESA-N 1 0 483.642 2.979 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286943595 1061604101 /nfs/dbraw/zinc/60/41/01/1061604101.db2.gz VAAGDCLWXXHHHJ-NLWGTHIKSA-N 1 0 458.582 2.546 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001286943853 1061606337 /nfs/dbraw/zinc/60/63/37/1061606337.db2.gz DMRIUQTVXIMIDP-QHCPKHFHSA-N 1 0 498.672 2.937 20 0 JFADRO CCc1ccc([C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001294131081 1061611937 /nfs/dbraw/zinc/61/19/37/1061611937.db2.gz RUPDHYZEFZZQMP-QHCPKHFHSA-N 1 0 454.596 2.930 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001289922339 1061615243 /nfs/dbraw/zinc/61/52/43/1061615243.db2.gz NDCJNWBVVZLCAS-OALUTQOASA-N 1 0 452.607 2.906 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2C[C@H]2CCC[N@@H+]2CCCO)n1 ZINC001289922312 1061615266 /nfs/dbraw/zinc/61/52/66/1061615266.db2.gz MFDVAVRVGMZAEG-GOSISDBHSA-N 1 0 492.550 2.884 20 0 JFADRO CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294140201 1061626199 /nfs/dbraw/zinc/62/61/99/1061626199.db2.gz ZEFFHKWOLREWIV-PMACEKPBSA-N 1 0 480.654 2.934 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286945947 1061629085 /nfs/dbraw/zinc/62/90/85/1061629085.db2.gz NTHVUOUCNOLQNX-HYBUGGRVSA-N 1 0 468.646 2.873 20 0 JFADRO Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)cn2)n1 ZINC001294145777 1061632451 /nfs/dbraw/zinc/63/24/51/1061632451.db2.gz KDRGNIPYASJTOH-UHFFFAOYSA-N 1 0 452.603 2.729 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001286946312 1061633875 /nfs/dbraw/zinc/63/38/75/1061633875.db2.gz JRVNVIQWJJVQSH-XMMPIXPASA-N 1 0 496.656 2.758 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001286946471 1061635103 /nfs/dbraw/zinc/63/51/03/1061635103.db2.gz PPDOFVJSYHERBA-WIOPSUGQSA-N 1 0 482.673 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946635 1061636191 /nfs/dbraw/zinc/63/61/91/1061636191.db2.gz RFKXGHXAFKBHAF-XUZZJYLKSA-N 1 0 498.672 2.937 20 0 JFADRO O=C(CCOc1ccccc1)N1CCC(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC001294152583 1061636438 /nfs/dbraw/zinc/63/64/38/1061636438.db2.gz PZTRNSBJVJXXTP-UHFFFAOYSA-N 1 0 457.615 2.798 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286947291 1061640877 /nfs/dbraw/zinc/64/08/77/1061640877.db2.gz SVEQMOLUNMMJOQ-RXVVDRJESA-N 1 0 474.675 2.782 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286947287 1061640922 /nfs/dbraw/zinc/64/09/22/1061640922.db2.gz SVEQMOLUNMMJOQ-GHTZIAJQSA-N 1 0 474.675 2.782 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289950536 1061643649 /nfs/dbraw/zinc/64/36/49/1061643649.db2.gz GYPUZUYUODCYPC-FCHUYYIVSA-N 1 0 455.651 2.783 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001294163769 1061651878 /nfs/dbraw/zinc/65/18/78/1061651878.db2.gz DGACHOKRKZQHBS-UHFFFAOYSA-N 1 0 462.683 2.897 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001289955465 1061652849 /nfs/dbraw/zinc/65/28/49/1061652849.db2.gz UIQASGANIAODTD-QHCPKHFHSA-N 1 0 497.669 2.812 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948003 1061652937 /nfs/dbraw/zinc/65/29/37/1061652937.db2.gz SOICCGNRIKKRKB-ZEQRLZLVSA-N 1 0 484.645 2.627 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948173 1061655266 /nfs/dbraw/zinc/65/52/66/1061655266.db2.gz ZVRPGOXJNVTYFX-FBLLAGFSSA-N 1 0 482.673 2.773 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001294164921 1061656085 /nfs/dbraw/zinc/65/60/85/1061656085.db2.gz GNCUCQUUXPCXFE-UHFFFAOYSA-N 1 0 496.704 2.889 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286948257 1061656360 /nfs/dbraw/zinc/65/63/60/1061656360.db2.gz VEVMYIVDTRWOAB-FQEVSTJZSA-N 1 0 460.648 2.560 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001286948249 1061656405 /nfs/dbraw/zinc/65/64/05/1061656405.db2.gz VCBUHQMSUDNYQO-HSZRJFAPSA-N 1 0 484.645 2.690 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286948349 1061657426 /nfs/dbraw/zinc/65/74/26/1061657426.db2.gz QKPFHPFXALMTBA-RPWUZVMVSA-N 1 0 486.636 2.860 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001294166437 1061662232 /nfs/dbraw/zinc/66/22/32/1061662232.db2.gz NZLFZMQGHDENOM-OAQYLSRUSA-N 1 0 487.693 2.874 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001286948721 1061662833 /nfs/dbraw/zinc/66/28/33/1061662833.db2.gz VKXVXCCMTQRRSZ-HSZRJFAPSA-N 1 0 468.646 2.656 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001286948852 1061666019 /nfs/dbraw/zinc/66/60/19/1061666019.db2.gz YHYKFOXCYUPNMD-QFIPXVFZSA-N 1 0 475.037 2.596 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001294168564 1061667510 /nfs/dbraw/zinc/66/75/10/1061667510.db2.gz RLZODZQWLIKAFZ-FQEVSTJZSA-N 1 0 473.666 2.521 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001289973609 1061685236 /nfs/dbraw/zinc/68/52/36/1061685236.db2.gz ITVXQBKPWVMWHX-UGKGYDQZSA-N 1 0 453.635 2.977 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001289975288 1061692803 /nfs/dbraw/zinc/69/28/03/1061692803.db2.gz QTSBCVJUPJSDHX-LEWJYISDSA-N 1 0 489.690 2.679 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC001294190232 1061700324 /nfs/dbraw/zinc/70/03/24/1061700324.db2.gz UDZWVJOBGOGMGR-GOSISDBHSA-N 1 0 455.502 2.717 20 0 JFADRO CCCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001294192440 1061702198 /nfs/dbraw/zinc/70/21/98/1061702198.db2.gz DHGKNWWXXPXHRC-HXUWFJFHSA-N 1 0 480.661 2.937 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001294196565 1061703959 /nfs/dbraw/zinc/70/39/59/1061703959.db2.gz PFSZEPPLUYHJHM-FPOVZHCZSA-N 1 0 494.662 2.668 20 0 JFADRO CCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001294196997 1061704722 /nfs/dbraw/zinc/70/47/22/1061704722.db2.gz SWMFUJUMQCHDMO-HSALFYBXSA-N 1 0 484.711 2.604 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001286954429 1061705601 /nfs/dbraw/zinc/70/56/01/1061705601.db2.gz GUNDUZDLBAYYAT-NRFANRHFSA-N 1 0 489.665 2.941 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001289983528 1061706064 /nfs/dbraw/zinc/70/60/64/1061706064.db2.gz OSPGGNWTXZQZRD-XMMPIXPASA-N 1 0 496.704 2.806 20 0 JFADRO C[C@@H]1C[C@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201222 1061707525 /nfs/dbraw/zinc/70/75/25/1061707525.db2.gz IBFBNHZVFKSTMY-UZKOGDIHSA-N 1 0 455.603 2.966 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 ZINC001294209052 1061712608 /nfs/dbraw/zinc/71/26/08/1061712608.db2.gz NFFVPIMMXRRXHR-SFHVURJKSA-N 1 0 495.719 2.591 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289987978 1061712695 /nfs/dbraw/zinc/71/26/95/1061712695.db2.gz FNLHSRJVCKSIRM-RTBURBONSA-N 1 0 468.524 2.773 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289987976 1061712831 /nfs/dbraw/zinc/71/28/31/1061712831.db2.gz FNLHSRJVCKSIRM-OALUTQOASA-N 1 0 468.524 2.773 20 0 JFADRO CC(=O)NCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001286956067 1061712860 /nfs/dbraw/zinc/71/28/60/1061712860.db2.gz XQGIWEOSGLIIBY-UHFFFAOYSA-N 1 0 486.686 2.954 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001294210015 1061713912 /nfs/dbraw/zinc/71/39/12/1061713912.db2.gz FPKOAKQGCRNOCO-UHFFFAOYSA-N 1 0 469.634 2.581 20 0 JFADRO CC(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCCCCC1 ZINC001286956449 1061714264 /nfs/dbraw/zinc/71/42/64/1061714264.db2.gz LURCKYTVYJKEJQ-UHFFFAOYSA-N 1 0 467.662 2.940 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[NH+]2CCSCC2)n1 ZINC001289994330 1061719671 /nfs/dbraw/zinc/71/96/71/1061719671.db2.gz SQZWFELPZXIJCS-GOSISDBHSA-N 1 0 473.647 2.801 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001294214015 1061721712 /nfs/dbraw/zinc/72/17/12/1061721712.db2.gz FWMRGTBGGZMVGE-HSZRJFAPSA-N 1 0 462.545 2.995 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294213994 1061721795 /nfs/dbraw/zinc/72/17/95/1061721795.db2.gz FJWNOUZBGWFDMP-INIZCTEOSA-N 1 0 487.468 2.781 20 0 JFADRO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001289999297 1061722544 /nfs/dbraw/zinc/72/25/44/1061722544.db2.gz ZXTUNFLWJSDONA-HXOBKFHXSA-N 1 0 451.567 2.827 20 0 JFADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCCCCC1 ZINC001286958002 1061723479 /nfs/dbraw/zinc/72/34/79/1061723479.db2.gz VTMKORCYEPCPJJ-OAQYLSRUSA-N 1 0 487.674 2.618 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001294219597 1061731084 /nfs/dbraw/zinc/73/10/84/1061731084.db2.gz JZUACHPEVFIKQM-UHFFFAOYSA-N 1 0 456.639 2.639 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001294221877 1061731754 /nfs/dbraw/zinc/73/17/54/1061731754.db2.gz XQRUEQZKQSTXFR-UHFFFAOYSA-N 1 0 485.658 2.906 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294224351 1061734162 /nfs/dbraw/zinc/73/41/62/1061734162.db2.gz RIYYXSWZWZNCGD-JOCHJYFZSA-N 1 0 453.635 2.905 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001294223821 1061734464 /nfs/dbraw/zinc/73/44/64/1061734464.db2.gz LPDLCQRVJUTHCJ-UHFFFAOYSA-N 1 0 482.677 2.515 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 ZINC001294224784 1061735883 /nfs/dbraw/zinc/73/58/83/1061735883.db2.gz ZNHLPQRCCFDTOP-GOSISDBHSA-N 1 0 462.668 2.992 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294225141 1061736470 /nfs/dbraw/zinc/73/64/70/1061736470.db2.gz BDBVMIHZKISBNC-GOSISDBHSA-N 1 0 474.572 2.799 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294225549 1061736550 /nfs/dbraw/zinc/73/65/50/1061736550.db2.gz FHCSGNCVSQVXRR-FGZHOGPDSA-N 1 0 459.660 2.981 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294225746 1061737358 /nfs/dbraw/zinc/73/73/58/1061737358.db2.gz HLZJOYWAUVXZDZ-JOCHJYFZSA-N 1 0 488.702 2.856 20 0 JFADRO Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001290017637 1061741991 /nfs/dbraw/zinc/74/19/91/1061741991.db2.gz SVHWBBLVLHTGAA-PZJWPPBQSA-N 1 0 460.648 2.504 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294228424 1061743359 /nfs/dbraw/zinc/74/33/59/1061743359.db2.gz FHFRPFHHXXPQNU-GUDVDZBRSA-N 1 0 455.669 2.552 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001294228966 1061744914 /nfs/dbraw/zinc/74/49/14/1061744914.db2.gz JLGJFGSDDIHSAV-UHFFFAOYSA-N 1 0 499.635 2.624 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 ZINC001294229355 1061745607 /nfs/dbraw/zinc/74/56/07/1061745607.db2.gz NBUXXOBUABAVPL-UHFFFAOYSA-N 1 0 455.390 2.832 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294230662 1061747836 /nfs/dbraw/zinc/74/78/36/1061747836.db2.gz YZMHQDVSJAKUKE-MJGOQNOKSA-N 1 0 460.554 2.663 20 0 JFADRO COC1CC[NH+](CCNC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CC1 ZINC001294233248 1061748523 /nfs/dbraw/zinc/74/85/23/1061748523.db2.gz IZCOKJQCIHVNPG-UHFFFAOYSA-N 1 0 458.024 2.548 20 0 JFADRO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286971335 1061748866 /nfs/dbraw/zinc/74/88/66/1061748866.db2.gz HYGFCHNQCRZXAQ-SIKLNZKXSA-N 1 0 473.710 2.875 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001294233844 1061749389 /nfs/dbraw/zinc/74/93/89/1061749389.db2.gz ZNUUEJLLRKUYKV-TVJXPIDLSA-N 1 0 465.639 2.507 20 0 JFADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001294240172 1061751231 /nfs/dbraw/zinc/75/12/31/1061751231.db2.gz OBGYRHGPZYEGSR-FQEVSTJZSA-N 1 0 480.661 2.844 20 0 JFADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC001290037183 1061753301 /nfs/dbraw/zinc/75/33/01/1061753301.db2.gz GFXCVHVJRXHKFA-VXKWHMMOSA-N 1 0 483.661 2.551 20 0 JFADRO CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001294255531 1061760227 /nfs/dbraw/zinc/76/02/27/1061760227.db2.gz KIWKVFBTIXXTTN-PMACEKPBSA-N 1 0 454.623 2.720 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001290043852 1061760131 /nfs/dbraw/zinc/76/01/31/1061760131.db2.gz FGEWWJZDDZBOSQ-XUVXKRRUSA-N 1 0 463.648 2.908 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286973388 1061760749 /nfs/dbraw/zinc/76/07/49/1061760749.db2.gz QJXUXYXTQGGGIL-IGCXYCKISA-N 1 0 487.468 2.634 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001286973391 1061760854 /nfs/dbraw/zinc/76/08/54/1061760854.db2.gz QJXUXYXTQGGGIL-XNJGSVPQSA-N 1 0 487.468 2.634 20 0 JFADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973930 1061765288 /nfs/dbraw/zinc/76/52/88/1061765288.db2.gz YKEOVNRVVAILFU-RBBKRZOGSA-N 1 0 489.709 2.677 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001290047067 1061766603 /nfs/dbraw/zinc/76/66/03/1061766603.db2.gz MDUDOTTYNNHUJN-LJQANCHMSA-N 1 0 461.632 2.663 20 0 JFADRO CCCCn1c(COc2ccccc2OCC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294289738 1061776032 /nfs/dbraw/zinc/77/60/32/1061776032.db2.gz OQSGTBDFINMVQK-FQEVSTJZSA-N 1 0 470.618 2.799 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290060456 1061781454 /nfs/dbraw/zinc/78/14/54/1061781454.db2.gz VRKRVFQUORNBML-PMACEKPBSA-N 1 0 454.619 2.988 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C[NH+](C)C ZINC001286977670 1061791502 /nfs/dbraw/zinc/79/15/02/1061791502.db2.gz SHFGQLPJRLXFOG-UWVAXJGDSA-N 1 0 479.647 2.636 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C[NH+](C)C ZINC001286977653 1061791560 /nfs/dbraw/zinc/79/15/60/1061791560.db2.gz SHFGQLPJRLXFOG-FUHIMQAGSA-N 1 0 479.647 2.636 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCc2cnn(C)n2)c1 ZINC001290071402 1061797557 /nfs/dbraw/zinc/79/75/57/1061797557.db2.gz LKAUBUYJAMGNFU-UHFFFAOYSA-N 1 0 452.607 2.847 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001290071438 1061797681 /nfs/dbraw/zinc/79/76/81/1061797681.db2.gz MLIZORXPIXVKPK-AZUAARDMSA-N 1 0 452.559 2.728 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286978437 1061798337 /nfs/dbraw/zinc/79/83/37/1061798337.db2.gz GZIWANXXJBSYHZ-MOPGFXCFSA-N 1 0 485.658 2.581 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294309465 1061799399 /nfs/dbraw/zinc/79/93/99/1061799399.db2.gz BFYABODTZVYQEC-NJYVYQBISA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294312333 1061803836 /nfs/dbraw/zinc/80/38/36/1061803836.db2.gz YWTNUFVZVUZGBO-OAQYLSRUSA-N 1 0 471.650 2.670 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294312332 1061803882 /nfs/dbraw/zinc/80/38/82/1061803882.db2.gz YWTNUFVZVUZGBO-NRFANRHFSA-N 1 0 471.650 2.670 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294315145 1061806334 /nfs/dbraw/zinc/80/63/34/1061806334.db2.gz AEPXSIWMUMSZQO-HSALFYBXSA-N 1 0 453.653 2.798 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC001290078054 1061807703 /nfs/dbraw/zinc/80/77/03/1061807703.db2.gz QINLZGNQNAMBPE-FQEVSTJZSA-N 1 0 461.632 2.521 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1CCCC1)S(C)(=O)=O ZINC001286979984 1061810401 /nfs/dbraw/zinc/81/04/01/1061810401.db2.gz JVHDUEQMOYFBPK-VQTJNVASSA-N 1 0 485.658 2.875 20 0 JFADRO Cc1cccc(OCc2nnc(Nc3ccn(C)n3)n2CC2CC[NH+](CCN(C)C)CC2)c1 ZINC001290082516 1061811440 /nfs/dbraw/zinc/81/14/40/1061811440.db2.gz ZWWZUMGALHRWRR-UHFFFAOYSA-N 1 0 452.607 2.916 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294316811 1061811396 /nfs/dbraw/zinc/81/13/96/1061811396.db2.gz IBLXNDACHGEMMC-ZPZUNKDASA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294317292 1061813918 /nfs/dbraw/zinc/81/39/18/1061813918.db2.gz KPEFYBFRRAHQJB-MHECFPHRSA-N 1 0 487.674 2.626 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294318974 1061820236 /nfs/dbraw/zinc/82/02/36/1061820236.db2.gz XPFUMLFORWFWER-BWKNWUBXSA-N 1 0 476.666 2.643 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294319703 1061822493 /nfs/dbraw/zinc/82/24/93/1061822493.db2.gz CRLNPKFBZIQPPI-KCPMXOJXSA-N 1 0 484.645 2.542 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294319706 1061822584 /nfs/dbraw/zinc/82/25/84/1061822584.db2.gz CRLNPKFBZIQPPI-UTAZYMRLSA-N 1 0 484.645 2.542 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286983010 1061831572 /nfs/dbraw/zinc/83/15/72/1061831572.db2.gz VBDSWOWOQQOBIZ-FUHIMQAGSA-N 1 0 484.066 2.703 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1CC1([NH+](C)C)CCCCC1 ZINC001290104169 1061832991 /nfs/dbraw/zinc/83/29/91/1061832991.db2.gz RDBAUGCIBFLPIO-UHFFFAOYSA-N 1 0 454.619 2.813 20 0 JFADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001286983235 1061833989 /nfs/dbraw/zinc/83/39/89/1061833989.db2.gz XVYXUXFYSGXABG-VSKRKVRLSA-N 1 0 490.693 2.540 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001294327554 1061843858 /nfs/dbraw/zinc/84/38/58/1061843858.db2.gz ARLAQONVDAZVML-GPJHCHHRSA-N 1 0 490.693 2.804 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001290117173 1061844564 /nfs/dbraw/zinc/84/45/64/1061844564.db2.gz IKWFOBABTRWKRQ-FQEVSTJZSA-N 1 0 467.618 2.608 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(CCC(N)=O)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001290116727 1061844703 /nfs/dbraw/zinc/84/47/03/1061844703.db2.gz FISKUVPSPPQZGO-UHFFFAOYSA-N 1 0 454.619 2.846 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001294328443 1061845185 /nfs/dbraw/zinc/84/51/85/1061845185.db2.gz DBFUOKZRJCUIJG-DXBBTUNJSA-N 1 0 487.693 2.871 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1 ZINC001294328609 1061845352 /nfs/dbraw/zinc/84/53/52/1061845352.db2.gz DUJUDTHHZNMAPV-NJDAHSKKSA-N 1 0 473.666 2.626 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001290117950 1061846238 /nfs/dbraw/zinc/84/62/38/1061846238.db2.gz FWRYNJGHUUSKKP-UHFFFAOYSA-N 1 0 460.648 2.646 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001294328718 1061846952 /nfs/dbraw/zinc/84/69/52/1061846952.db2.gz GKIYEDYPPAVPQL-KJJMTIBFSA-N 1 0 487.693 2.872 20 0 JFADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001286984985 1061849532 /nfs/dbraw/zinc/84/95/32/1061849532.db2.gz OWZRQCQZMOIUQW-HSZRJFAPSA-N 1 0 497.688 2.755 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294331665 1061855505 /nfs/dbraw/zinc/85/55/05/1061855505.db2.gz HDUXAQRZWHAZTC-AIUHUKMKSA-N 1 0 482.673 2.651 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290128783 1061860963 /nfs/dbraw/zinc/86/09/63/1061860963.db2.gz HJAVEPQWDOARIP-FQEVSTJZSA-N 1 0 464.618 2.817 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCNS(C)(=O)=O ZINC001290129255 1061861687 /nfs/dbraw/zinc/86/16/87/1061861687.db2.gz JAEAPLVFOZBNAK-SFHVURJKSA-N 1 0 460.648 2.503 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCCOC(F)(F)F ZINC001290129359 1061861718 /nfs/dbraw/zinc/86/17/18/1061861718.db2.gz RTGBMLGFZYONGW-UHFFFAOYSA-N 1 0 480.535 2.924 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290129976 1061864360 /nfs/dbraw/zinc/86/43/60/1061864360.db2.gz YADKCXXQCKTYCJ-UHFFFAOYSA-N 1 0 474.675 2.847 20 0 JFADRO CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001290132682 1061866241 /nfs/dbraw/zinc/86/62/41/1061866241.db2.gz ZMGZPXNRNASCPS-UHFFFAOYSA-N 1 0 450.370 2.998 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001290133792 1061868066 /nfs/dbraw/zinc/86/80/66/1061868066.db2.gz WFZGBTMOPXHPFZ-NRFANRHFSA-N 1 0 462.589 2.997 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001290133769 1061868248 /nfs/dbraw/zinc/86/82/48/1061868248.db2.gz VBBBTTPLHWRTQW-JOCHJYFZSA-N 1 0 456.635 2.521 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001290133815 1061869108 /nfs/dbraw/zinc/86/91/08/1061869108.db2.gz WUHGXXYFLYVBGE-UHFFFAOYSA-N 1 0 460.648 2.600 20 0 JFADRO CCN1C(=O)C[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H]1c1cccc(C)c1 ZINC001294335471 1061870245 /nfs/dbraw/zinc/87/02/45/1061870245.db2.gz ZSPMRRSIGSWNMO-ZJSXRUAMSA-N 1 0 456.631 2.647 20 0 JFADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286987569 1061872325 /nfs/dbraw/zinc/87/23/25/1061872325.db2.gz WZFVBQAFUQLUFN-TZIWHRDSSA-N 1 0 460.667 2.771 20 0 JFADRO CC(C)(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001286987923 1061872866 /nfs/dbraw/zinc/87/28/66/1061872866.db2.gz MXBTZRJSKLRJLT-JOCHJYFZSA-N 1 0 490.693 2.663 20 0 JFADRO Cc1ccccc1[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCCC2)CCO1 ZINC001290143014 1061878280 /nfs/dbraw/zinc/87/82/80/1061878280.db2.gz BIJQVMARLYDQCA-IFMALSPDSA-N 1 0 490.674 2.651 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001286990686 1061886767 /nfs/dbraw/zinc/88/67/67/1061886767.db2.gz QJUIDJNNGDZOEO-QFIPXVFZSA-N 1 0 489.686 2.714 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001290146332 1061886928 /nfs/dbraw/zinc/88/69/28/1061886928.db2.gz XMVQWKXMMDQDKS-IBGZPJMESA-N 1 0 459.660 2.921 20 0 JFADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001290146390 1061887602 /nfs/dbraw/zinc/88/76/02/1061887602.db2.gz YWPKZRQTUUOFKQ-UHFFFAOYSA-N 1 0 475.641 2.804 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294341582 1061889214 /nfs/dbraw/zinc/88/92/14/1061889214.db2.gz ICDPHSMCXPDJID-CTNGQTDRSA-N 1 0 470.666 2.932 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC001286991253 1061889935 /nfs/dbraw/zinc/88/99/35/1061889935.db2.gz SFHJABJULQQOKY-JOCHJYFZSA-N 1 0 498.672 2.560 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C1 ZINC001294341902 1061890753 /nfs/dbraw/zinc/89/07/53/1061890753.db2.gz LPSYWZKXQNINKR-FQEVSTJZSA-N 1 0 457.648 2.522 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001294341784 1061890875 /nfs/dbraw/zinc/89/08/75/1061890875.db2.gz KGIKNHDUVWGJNZ-IBGZPJMESA-N 1 0 454.623 2.742 20 0 JFADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@H](C)C[NH+]2CCOCC2)cnn1C ZINC001290151067 1061892291 /nfs/dbraw/zinc/89/22/91/1061892291.db2.gz JTHICSUIUZERPG-LJQANCHMSA-N 1 0 451.619 2.824 20 0 JFADRO CC(C)(C)[C@@]1(C)CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001286992382 1061894952 /nfs/dbraw/zinc/89/49/52/1061894952.db2.gz SCGSFNOQDVLVGF-RUZDIDTESA-N 1 0 456.635 2.752 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)C1 ZINC001294343699 1061896469 /nfs/dbraw/zinc/89/64/69/1061896469.db2.gz FHDAYNZLVUFHFR-OTQYULQBSA-N 1 0 453.649 2.879 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001290164502 1061904600 /nfs/dbraw/zinc/90/46/00/1061904600.db2.gz QZZWKIFTACYWMM-HXUWFJFHSA-N 1 0 488.702 2.675 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001290166827 1061909650 /nfs/dbraw/zinc/90/96/50/1061909650.db2.gz LBPRUGKSSHWTIE-FCHUYYIVSA-N 1 0 488.702 2.769 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001287001106 1061916801 /nfs/dbraw/zinc/91/68/01/1061916801.db2.gz UXUPDVDTQYCIPI-UHFFFAOYSA-N 1 0 468.646 2.998 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCC(C)(C)O ZINC001290173069 1061917697 /nfs/dbraw/zinc/91/76/97/1061917697.db2.gz IDILFXOLXNAUES-UHFFFAOYSA-N 1 0 451.619 2.784 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C)n2CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001294353105 1061918331 /nfs/dbraw/zinc/91/83/31/1061918331.db2.gz AWPUZSIQPJXGMU-UHFFFAOYSA-N 1 0 467.662 2.932 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290173243 1061918395 /nfs/dbraw/zinc/91/83/95/1061918395.db2.gz CXUSSAVRIFJHAK-VWLOTQADSA-N 1 0 495.716 2.898 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287004101 1061921466 /nfs/dbraw/zinc/92/14/66/1061921466.db2.gz JVIKACVHFPFNCY-OALUTQOASA-N 1 0 454.610 2.996 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001294358847 1061929766 /nfs/dbraw/zinc/92/97/66/1061929766.db2.gz RXLVAMWXFKUALJ-DEOSSOPVSA-N 1 0 475.037 2.798 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001294359384 1061931560 /nfs/dbraw/zinc/93/15/60/1061931560.db2.gz PMIZXFJRPHVHMP-RTBURBONSA-N 1 0 487.674 2.726 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001290197465 1061939074 /nfs/dbraw/zinc/93/90/74/1061939074.db2.gz TYNGWGFHXFNXSC-OAQYLSRUSA-N 1 0 454.619 2.717 20 0 JFADRO Cc1ccccc1O[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290198531 1061939165 /nfs/dbraw/zinc/93/91/65/1061939165.db2.gz CGSSBWVIAQPLRE-LEWJYISDSA-N 1 0 454.619 2.920 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001290197501 1061939231 /nfs/dbraw/zinc/93/92/31/1061939231.db2.gz VMSJGATUBLYZLG-UHFFFAOYSA-N 1 0 474.675 2.894 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CCC[NH+]1CCCC1 ZINC001287012239 1061945306 /nfs/dbraw/zinc/94/53/06/1061945306.db2.gz XOPZIXQCLIRTMO-UHFFFAOYSA-N 1 0 474.675 2.714 20 0 JFADRO CC(C)(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287013527 1061946883 /nfs/dbraw/zinc/94/68/83/1061946883.db2.gz BOYKEQHOSQHVTC-OALUTQOASA-N 1 0 474.675 2.989 20 0 JFADRO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)ccc2C)cc1 ZINC001290205530 1061950109 /nfs/dbraw/zinc/95/01/09/1061950109.db2.gz RZIHSBIDJMRQJD-HXUWFJFHSA-N 1 0 459.568 2.854 20 0 JFADRO Cc1ccccc1OCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001290213640 1061959471 /nfs/dbraw/zinc/95/94/71/1061959471.db2.gz VMEHOHCSZHSICB-UHFFFAOYSA-N 1 0 497.688 2.799 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001294414880 1061980542 /nfs/dbraw/zinc/98/05/42/1061980542.db2.gz QHKDFHYMFKBTLI-BGYRXZFFSA-N 1 0 451.633 2.726 20 0 JFADRO COc1ccc(CN2CCN(C(=O)CC[NH+]3CCN(c4cccc(C)c4)CC3)CC2)cc1F ZINC001290233175 1061981444 /nfs/dbraw/zinc/98/14/44/1061981444.db2.gz ZZNALLHEFOEJJT-UHFFFAOYSA-N 1 0 454.590 2.999 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287032464 1061987136 /nfs/dbraw/zinc/98/71/36/1061987136.db2.gz NFBGNCJILMVXMU-FQEVSTJZSA-N 1 0 474.675 2.737 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287033153 1061990280 /nfs/dbraw/zinc/99/02/80/1061990280.db2.gz IDRILRIDSRVDCE-UHFFFAOYSA-N 1 0 477.723 2.983 20 0 JFADRO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001290254048 1061990500 /nfs/dbraw/zinc/99/05/00/1061990500.db2.gz MJGAXZAQLJNCHV-IBGZPJMESA-N 1 0 458.632 2.836 20 0 JFADRO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001290253481 1061990666 /nfs/dbraw/zinc/99/06/66/1061990666.db2.gz GHWGCTUCUUWMLW-UHFFFAOYSA-N 1 0 458.632 2.836 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001287033273 1061990954 /nfs/dbraw/zinc/99/09/54/1061990954.db2.gz LBDMSPLRULPWTQ-UHFFFAOYSA-N 1 0 462.639 2.835 20 0 JFADRO CC1=CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001290254749 1061991256 /nfs/dbraw/zinc/99/12/56/1061991256.db2.gz VCDGLMIBEULYRO-SFHVURJKSA-N 1 0 458.632 2.835 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287034313 1061996026 /nfs/dbraw/zinc/99/60/26/1061996026.db2.gz JFXSDMIILFDTSH-UHFFFAOYSA-N 1 0 497.688 2.740 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294453776 1061998641 /nfs/dbraw/zinc/99/86/41/1061998641.db2.gz GKUMLGOLCQFRKB-MSOLQXFVSA-N 1 0 475.663 2.894 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)c2ccccc2)C1 ZINC001294454113 1062000375 /nfs/dbraw/zinc/00/03/75/1062000375.db2.gz OARVWMHPXXRYRB-OAQYLSRUSA-N 1 0 453.635 2.819 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCNC(=O)c1cccs1 ZINC001287035502 1062000976 /nfs/dbraw/zinc/00/09/76/1062000976.db2.gz NTDZAQOKTNFMEV-GOSISDBHSA-N 1 0 460.648 2.517 20 0 JFADRO Cc1cnn([C@H]2CCCN(c3nnc(CN4CCCC4=O)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001290272580 1062002796 /nfs/dbraw/zinc/00/27/96/1062002796.db2.gz QUUOUPZROMJVLE-SFTDATJTSA-N 1 0 456.639 2.723 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455526 1062002914 /nfs/dbraw/zinc/00/29/14/1062002914.db2.gz FIMDUAFPKLCIHF-NLFFAJNJSA-N 1 0 488.681 2.882 20 0 JFADRO Cc1cnn([C@@H]2CCCN(c3nnc(CN4CCCC4=O)n3C[C@@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001290272572 1062002919 /nfs/dbraw/zinc/00/29/19/1062002919.db2.gz QUUOUPZROMJVLE-NHCUHLMSSA-N 1 0 456.639 2.723 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001294455673 1062003295 /nfs/dbraw/zinc/00/32/95/1062003295.db2.gz YBEFYIVMEPHADU-KRWDZBQOSA-N 1 0 474.679 2.880 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC2CCCCC2)CC1 ZINC001287039242 1062005707 /nfs/dbraw/zinc/00/57/07/1062005707.db2.gz AFNBGEXMYGJCET-UHFFFAOYSA-N 1 0 496.660 2.933 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287039280 1062005834 /nfs/dbraw/zinc/00/58/34/1062005834.db2.gz BWSHBMLSLNQTOL-UHFFFAOYSA-N 1 0 496.081 2.587 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 ZINC001294458993 1062005862 /nfs/dbraw/zinc/00/58/62/1062005862.db2.gz RSEYPEOOZCIOOW-INIZCTEOSA-N 1 0 476.427 2.886 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCCO2)C1 ZINC001294459594 1062006634 /nfs/dbraw/zinc/00/66/34/1062006634.db2.gz VAEUVNNTTCFUNX-UYAOXDASSA-N 1 0 461.632 2.696 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C(=O)NC)C1 ZINC001294460405 1062008455 /nfs/dbraw/zinc/00/84/55/1062008455.db2.gz ZUCDEAGZBBQHDF-OAHLLOKOSA-N 1 0 480.455 2.976 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294461107 1062009845 /nfs/dbraw/zinc/00/98/45/1062009845.db2.gz ROURTHCWPWVHRG-OALUTQOASA-N 1 0 461.632 2.557 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287042608 1062012897 /nfs/dbraw/zinc/01/28/97/1062012897.db2.gz DPRSDAOMYBJHAH-QGZVFWFLSA-N 1 0 481.066 2.801 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001287042940 1062013891 /nfs/dbraw/zinc/01/38/91/1062013891.db2.gz JHRNREBKUCICHS-UYAOXDASSA-N 1 0 475.659 2.820 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCCNS(C)(=O)=O)CC1 ZINC001287043050 1062014143 /nfs/dbraw/zinc/01/41/43/1062014143.db2.gz MVHMVSAWMCFZIT-UHFFFAOYSA-N 1 0 499.479 2.567 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465977 1062015236 /nfs/dbraw/zinc/01/52/36/1062015236.db2.gz AIOXZKZHQGWMQV-DHIUTWEWSA-N 1 0 489.686 2.933 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467554 1062016959 /nfs/dbraw/zinc/01/69/59/1062016959.db2.gz GWIKKUJZYRJLNO-PZJWPPBQSA-N 1 0 475.659 2.600 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468079 1062017481 /nfs/dbraw/zinc/01/74/81/1062017481.db2.gz KILTVIMFZGCXNQ-YADHBBJMSA-N 1 0 454.619 2.609 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001287044128 1062018187 /nfs/dbraw/zinc/01/81/87/1062018187.db2.gz QQBLITYHDQHVQE-UHFFFAOYSA-N 1 0 470.662 2.931 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468736 1062018846 /nfs/dbraw/zinc/01/88/46/1062018846.db2.gz PBPAVIWDRMKTDY-NHCUHLMSSA-N 1 0 462.639 2.819 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)C1 ZINC001294469075 1062020732 /nfs/dbraw/zinc/02/07/32/1062020732.db2.gz UICNOLMJQXBMMH-FCHUYYIVSA-N 1 0 459.660 2.899 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287045111 1062021977 /nfs/dbraw/zinc/02/19/77/1062021977.db2.gz JCUOJHBVFPLALA-RTBURBONSA-N 1 0 488.599 2.746 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001294469939 1062023570 /nfs/dbraw/zinc/02/35/70/1062023570.db2.gz IQFOMZYPCXPOSH-PZJWPPBQSA-N 1 0 490.674 2.596 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2F)C1 ZINC001294469982 1062023616 /nfs/dbraw/zinc/02/36/16/1062023616.db2.gz JHDDHIMUDZVXSJ-GOSISDBHSA-N 1 0 458.582 2.765 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001294474143 1062025966 /nfs/dbraw/zinc/02/59/66/1062025966.db2.gz NGNMMQFTFYCIDF-DENIHFKCSA-N 1 0 468.646 2.960 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCC2)C1 ZINC001294473355 1062026277 /nfs/dbraw/zinc/02/62/77/1062026277.db2.gz LYNLZCSUMYUWDY-NRFANRHFSA-N 1 0 453.635 2.835 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)C1 ZINC001294474144 1062026994 /nfs/dbraw/zinc/02/69/94/1062026994.db2.gz NGNMMQFTFYCIDF-KNQAVFIVSA-N 1 0 468.646 2.960 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001287046846 1062030549 /nfs/dbraw/zinc/03/05/49/1062030549.db2.gz WKUXPRXEYGSYTJ-OAQYLSRUSA-N 1 0 490.674 2.809 20 0 JFADRO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001294480789 1062030578 /nfs/dbraw/zinc/03/05/78/1062030578.db2.gz URPXYQZMTQAIGJ-UHFFFAOYSA-N 1 0 478.663 2.543 20 0 JFADRO 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CC(C)(C)NC(=O)CCn1c(CCc2ccccc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001287048355 1062037491 /nfs/dbraw/zinc/03/74/91/1062037491.db2.gz VVLZVXMKJMAXAL-UHFFFAOYSA-N 1 0 482.673 2.917 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294505156 1062040231 /nfs/dbraw/zinc/04/02/31/1062040231.db2.gz HHDDVVIRSVMNKK-LJQANCHMSA-N 1 0 455.607 2.581 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294505141 1062040418 /nfs/dbraw/zinc/04/04/18/1062040418.db2.gz GPJMCFYWDTUION-IBGZPJMESA-N 1 0 455.607 2.546 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001294505474 1062040969 /nfs/dbraw/zinc/04/09/69/1062040969.db2.gz JWZSKNXXWMMMDP-QZTJIDSGSA-N 1 0 460.554 2.930 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001294505454 1062041051 /nfs/dbraw/zinc/04/10/51/1062041051.db2.gz JLPKIOPIESBMCL-UHFFFAOYSA-N 1 0 487.624 2.720 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294506175 1062042750 /nfs/dbraw/zinc/04/27/50/1062042750.db2.gz HIVGKUJDXYOCDM-INIZCTEOSA-N 1 0 480.455 2.835 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294507275 1062044432 /nfs/dbraw/zinc/04/44/32/1062044432.db2.gz QEJYPXQENJUEDM-UHFFFAOYSA-N 1 0 495.628 2.596 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294508129 1062046006 /nfs/dbraw/zinc/04/60/06/1062046006.db2.gz YABLMAGIUJISOW-KRWDZBQOSA-N 1 0 469.055 2.801 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001294513722 1062048610 /nfs/dbraw/zinc/04/86/10/1062048610.db2.gz JOXCOZIYCDSGEB-SFHVURJKSA-N 1 0 455.611 2.590 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001294513721 1062048813 /nfs/dbraw/zinc/04/88/13/1062048813.db2.gz JOXCOZIYCDSGEB-GOSISDBHSA-N 1 0 455.611 2.590 20 0 JFADRO 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CCC[N@H+](CC)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001294521461 1062057398 /nfs/dbraw/zinc/05/73/98/1062057398.db2.gz NKAUQRXBBLBKNW-OALUTQOASA-N 1 0 461.611 2.988 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001294521975 1062058131 /nfs/dbraw/zinc/05/81/31/1062058131.db2.gz IXTHDAQOAMMPRB-NRFANRHFSA-N 1 0 492.665 2.744 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001294522886 1062058544 /nfs/dbraw/zinc/05/85/44/1062058544.db2.gz WGHLZCLUXWSZRR-KNKQGSTJSA-N 1 0 459.591 2.763 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CC(=O)NC)CC1 ZINC001294526252 1062063201 /nfs/dbraw/zinc/06/32/01/1062063201.db2.gz UQSIERSXKOCEQU-UHFFFAOYSA-N 1 0 456.591 2.758 20 0 JFADRO CCC[N@H+](CC)CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001294529731 1062065943 /nfs/dbraw/zinc/06/59/43/1062065943.db2.gz OPSPIKSREFBZTK-UHFFFAOYSA-N 1 0 474.675 2.562 20 0 JFADRO CC(C)(C)OC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001287055144 1062069842 /nfs/dbraw/zinc/06/98/42/1062069842.db2.gz KQWYKLMCAYPPRC-FQEVSTJZSA-N 1 0 489.665 2.943 20 0 JFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCCOCC2)n1CC[NH+]1CCCCCC1 ZINC001287056154 1062074963 /nfs/dbraw/zinc/07/49/63/1062074963.db2.gz CAEWERHVWGATCC-HXUWFJFHSA-N 1 0 478.638 2.689 20 0 JFADRO Cc1nc(C)c(Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC001290371928 1062075508 /nfs/dbraw/zinc/07/55/08/1062075508.db2.gz MSWYWSDESCRZKJ-HXUWFJFHSA-N 1 0 461.680 2.754 20 0 JFADRO CCCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001294551350 1062075881 /nfs/dbraw/zinc/07/58/81/1062075881.db2.gz RYRLOBQNAVWGIA-YDIMBITNSA-N 1 0 462.639 2.742 20 0 JFADRO CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001290373050 1062076954 /nfs/dbraw/zinc/07/69/54/1062076954.db2.gz ZLEHGJOFRMECDN-IBGZPJMESA-N 1 0 454.575 2.854 20 0 JFADRO CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001287056626 1062077286 /nfs/dbraw/zinc/07/72/86/1062077286.db2.gz JFLZLENOVRLCBQ-HXUWFJFHSA-N 1 0 490.649 2.854 20 0 JFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1=CCCOC1 ZINC001287056624 1062077392 /nfs/dbraw/zinc/07/73/92/1062077392.db2.gz JFLZLENOVRLCBQ-FQEVSTJZSA-N 1 0 490.649 2.854 20 0 JFADRO CCC[NH+](CCC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001294571654 1062084658 /nfs/dbraw/zinc/08/46/58/1062084658.db2.gz QFMXPXFJNDNHNE-UHFFFAOYSA-N 1 0 471.654 2.529 20 0 JFADRO CCCN(CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)C(=O)OC(C)(C)C ZINC001294579190 1062090126 /nfs/dbraw/zinc/09/01/26/1062090126.db2.gz BAGGNGYHQIAXEF-FQEVSTJZSA-N 1 0 489.665 2.836 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@H]3CCSC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC001290388681 1062092207 /nfs/dbraw/zinc/09/22/07/1062092207.db2.gz UZCWQRZQPZUNCB-MOPGFXCFSA-N 1 0 450.678 2.812 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCSC3)n2CCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC001290388683 1062092985 /nfs/dbraw/zinc/09/29/85/1062092985.db2.gz UZCWQRZQPZUNCB-RBUKOAKNSA-N 1 0 450.678 2.812 20 0 JFADRO Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CCC[NH+]2CCC(O)CC2)cs1 ZINC001290391733 1062094340 /nfs/dbraw/zinc/09/43/40/1062094340.db2.gz YJUHPCLYEHAWMK-UHFFFAOYSA-N 1 0 461.661 2.882 20 0 JFADRO CC(C)(C)OC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001287061575 1062098058 /nfs/dbraw/zinc/09/80/58/1062098058.db2.gz METZGJDWCHHOSV-UHFFFAOYSA-N 1 0 468.606 2.738 20 0 JFADRO CCCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCC2)CC1)C(=O)OC(C)(C)C ZINC001294586592 1062099463 /nfs/dbraw/zinc/09/94/63/1062099463.db2.gz ZCRNYBXVRJVEGP-IBGZPJMESA-N 1 0 475.638 2.551 20 0 JFADRO CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294595380 1062106206 /nfs/dbraw/zinc/10/62/06/1062106206.db2.gz SYXFIKSHGUXGKV-UHFFFAOYSA-N 1 0 450.534 2.947 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001287062556 1062108538 /nfs/dbraw/zinc/10/85/38/1062108538.db2.gz GUUFFYHUHIFUOJ-RTBURBONSA-N 1 0 475.638 2.599 20 0 JFADRO Cc1nc(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC001290404312 1062113022 /nfs/dbraw/zinc/11/30/22/1062113022.db2.gz HLKCUVOJBSAPAW-FXAWDEMLSA-N 1 0 462.664 2.994 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001290411068 1062131066 /nfs/dbraw/zinc/13/10/66/1062131066.db2.gz VUEFZJQLYALQQV-LNLFQRSKSA-N 1 0 459.664 2.704 20 0 JFADRO CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001294626329 1062133780 /nfs/dbraw/zinc/13/37/80/1062133780.db2.gz VTIRJNNWXAMKGP-UHFFFAOYSA-N 1 0 459.664 2.674 20 0 JFADRO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)c1 ZINC001294629346 1062135836 /nfs/dbraw/zinc/13/58/36/1062135836.db2.gz DWOQIFWDXASIBF-YJBOKZPZSA-N 1 0 456.609 2.547 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](O)(c3ccc(C)cc3)C2)CC1 ZINC001294631614 1062137958 /nfs/dbraw/zinc/13/79/58/1062137958.db2.gz CFEMHCBJEDFSIL-AREMUKBSSA-N 1 0 468.646 2.945 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](n3nc(C)cc3C)C2)C1 ZINC001294632200 1062140248 /nfs/dbraw/zinc/14/02/48/1062140248.db2.gz GEIHUVOTIJBTRV-RTWAWAEBSA-N 1 0 456.639 2.803 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)C1 ZINC001294633070 1062142159 /nfs/dbraw/zinc/14/21/59/1062142159.db2.gz LGVCXIMXHHIJII-ZDQHKECQSA-N 1 0 476.666 2.701 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(C)=O)CC2)C1 ZINC001294633544 1062143345 /nfs/dbraw/zinc/14/33/45/1062143345.db2.gz PNBIYPMRWQNPFG-NRFANRHFSA-N 1 0 467.618 2.548 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001294633502 1062143373 /nfs/dbraw/zinc/14/33/73/1062143373.db2.gz OZHDLKWNXMFAPQ-KBMIEXCESA-N 1 0 467.618 2.581 20 0 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CCC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)C1 ZINC001294661924 1062213383 /nfs/dbraw/zinc/21/33/83/1062213383.db2.gz CNNURWAIYXRRHD-DHIUTWEWSA-N 1 0 467.662 2.984 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)C1 ZINC001294661828 1062213444 /nfs/dbraw/zinc/21/34/44/1062213444.db2.gz WVXRIPWLZBYEBZ-PKOBYXMFSA-N 1 0 460.573 2.936 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001294662152 1062214078 /nfs/dbraw/zinc/21/40/78/1062214078.db2.gz FQQBYJSLAUJRAE-NRFANRHFSA-N 1 0 488.702 2.769 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001294663136 1062216035 /nfs/dbraw/zinc/21/60/35/1062216035.db2.gz RFVBMDHBZDFIGH-OAQYLSRUSA-N 1 0 468.650 2.626 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294665621 1062217925 /nfs/dbraw/zinc/21/79/25/1062217925.db2.gz ZRQKUGIBCZPTIO-AZUAARDMSA-N 1 0 480.704 2.769 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294667290 1062221064 /nfs/dbraw/zinc/22/10/64/1062221064.db2.gz WSMCQKQEBXEZCC-CPJSRVTESA-N 1 0 454.619 2.908 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294667383 1062221549 /nfs/dbraw/zinc/22/15/49/1062221549.db2.gz ZEHRZBBQFRIVRQ-VQTJNVASSA-N 1 0 470.618 2.655 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001294667351 1062221649 /nfs/dbraw/zinc/22/16/49/1062221649.db2.gz YGDJEYGVRPMFBI-UHFFFAOYSA-N 1 0 470.618 2.656 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001294667521 1062222226 /nfs/dbraw/zinc/22/22/26/1062222226.db2.gz AGBFNUSCDOLKJR-NRFANRHFSA-N 1 0 487.693 2.654 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667538 1062222489 /nfs/dbraw/zinc/22/24/89/1062222489.db2.gz APCIEFTWTNFPNS-FGZHOGPDSA-N 1 0 459.660 2.809 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3CC)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001294667394 1062222617 /nfs/dbraw/zinc/22/26/17/1062222617.db2.gz ZLYDNKUQNPUSOA-UHFFFAOYSA-N 1 0 475.659 2.776 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001294667939 1062223570 /nfs/dbraw/zinc/22/35/70/1062223570.db2.gz CYVJZENEOXTYCM-UHFFFAOYSA-N 1 0 480.723 2.898 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)C1 ZINC001294670077 1062226201 /nfs/dbraw/zinc/22/62/01/1062226201.db2.gz OOIGERSRQNAQAR-LEWJYISDSA-N 1 0 487.693 2.511 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294670114 1062226750 /nfs/dbraw/zinc/22/67/50/1062226750.db2.gz PECISADPJVYRAT-QHCPKHFHSA-N 1 0 488.702 2.657 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)C1 ZINC001294670093 1062226811 /nfs/dbraw/zinc/22/68/11/1062226811.db2.gz OSYYKVFIPQGMLW-SFTDATJTSA-N 1 0 454.619 2.908 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294670331 1062227942 /nfs/dbraw/zinc/22/79/42/1062227942.db2.gz SFYKNURNSMXBGW-QFIPXVFZSA-N 1 0 453.635 2.647 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001294671493 1062230284 /nfs/dbraw/zinc/23/02/84/1062230284.db2.gz XBZGVWCFHLLEMA-LJQANCHMSA-N 1 0 489.665 2.626 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC001294674919 1062234442 /nfs/dbraw/zinc/23/44/42/1062234442.db2.gz OLTPNEWJZXKJJM-HXUWFJFHSA-N 1 0 481.645 2.780 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001294682956 1062241967 /nfs/dbraw/zinc/24/19/67/1062241967.db2.gz CPQZWBHAKMKHSS-UHFFFAOYSA-N 1 0 490.538 2.967 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001294683985 1062243509 /nfs/dbraw/zinc/24/35/09/1062243509.db2.gz NHEHXWQYJSMARP-UHFFFAOYSA-N 1 0 462.602 2.752 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)CC1 ZINC001294684649 1062244888 /nfs/dbraw/zinc/24/48/88/1062244888.db2.gz VZWIUKAKQNUVPO-NRFANRHFSA-N 1 0 456.591 2.580 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)CC1 ZINC001294684992 1062245287 /nfs/dbraw/zinc/24/52/87/1062245287.db2.gz ZYKPRNUSPVEUKQ-QFIPXVFZSA-N 1 0 470.618 2.873 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001294685133 1062245818 /nfs/dbraw/zinc/24/58/18/1062245818.db2.gz AGUASFIHMYCJLE-UHFFFAOYSA-N 1 0 479.633 2.989 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001294685906 1062246435 /nfs/dbraw/zinc/24/64/35/1062246435.db2.gz KREQDHUSBZRYRR-UHFFFAOYSA-N 1 0 474.679 2.908 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001294687507 1062248139 /nfs/dbraw/zinc/24/81/39/1062248139.db2.gz XSYPSLNHCNKOGN-UHFFFAOYSA-N 1 0 469.634 2.942 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC ZINC001294693788 1062253294 /nfs/dbraw/zinc/25/32/94/1062253294.db2.gz IFHJOZFTKUDBGL-KRWDZBQOSA-N 1 0 480.455 2.883 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001294695022 1062255958 /nfs/dbraw/zinc/25/59/58/1062255958.db2.gz XUSGTPBAPLIKTA-NRFANRHFSA-N 1 0 488.706 2.768 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294695952 1062256984 /nfs/dbraw/zinc/25/69/84/1062256984.db2.gz BEZVGZAHZZCNRV-FCHUYYIVSA-N 1 0 454.619 2.859 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC001294696557 1062258793 /nfs/dbraw/zinc/25/87/93/1062258793.db2.gz SITOXCUBHASIQP-HXUWFJFHSA-N 1 0 472.638 2.723 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697614 1062259816 /nfs/dbraw/zinc/25/98/16/1062259816.db2.gz VCGZRQWBYBWNAX-YYIAUSFCSA-N 1 0 480.601 2.787 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001294699370 1062263268 /nfs/dbraw/zinc/26/32/68/1062263268.db2.gz PFKFOTZAPHXDQS-KRWDZBQOSA-N 1 0 452.529 2.684 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001294705594 1062268510 /nfs/dbraw/zinc/26/85/10/1062268510.db2.gz BWNGYOSQGJGDNI-BDTNDASRSA-N 1 0 496.722 2.748 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001294706712 1062270254 /nfs/dbraw/zinc/27/02/54/1062270254.db2.gz CROMTXIFAQKWMD-VQTJNVASSA-N 1 0 487.674 2.639 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC001290481164 1062271129 /nfs/dbraw/zinc/27/11/29/1062271129.db2.gz RTADBDQMPLWOAJ-SJLPKXTDSA-N 1 0 466.677 2.846 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708584 1062275543 /nfs/dbraw/zinc/27/55/43/1062275543.db2.gz SMQYPJUZHFMSKO-IFMALSPDSA-N 1 0 496.722 2.687 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)s1 ZINC001290489301 1062275890 /nfs/dbraw/zinc/27/58/90/1062275890.db2.gz OMBJQQSZUIAQDS-MBSDFSHPSA-N 1 0 491.662 2.818 20 0 JFADRO Cc1ncc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001290490777 1062279637 /nfs/dbraw/zinc/27/96/37/1062279637.db2.gz TWBSRDMMUODMQW-UHFFFAOYSA-N 1 0 460.629 2.692 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712119 1062280690 /nfs/dbraw/zinc/28/06/90/1062280690.db2.gz PSSAOSBNDXJLQX-FKBYEOEOSA-N 1 0 476.666 2.571 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294712098 1062280837 /nfs/dbraw/zinc/28/08/37/1062280837.db2.gz PNRCSEBUXOGFCX-HXUWFJFHSA-N 1 0 473.597 2.722 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294713389 1062285470 /nfs/dbraw/zinc/28/54/70/1062285470.db2.gz VTRGGFPRIHCHAC-ROKPMTFOSA-N 1 0 463.623 2.584 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(C(C)(C)C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)s1 ZINC001290497241 1062288716 /nfs/dbraw/zinc/28/87/16/1062288716.db2.gz FBFMGQMPBCFFHS-UHFFFAOYSA-N 1 0 488.750 2.936 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001294718519 1062290092 /nfs/dbraw/zinc/29/00/92/1062290092.db2.gz AOEBAVPKDIURKY-ATIYNZHBSA-N 1 0 490.693 2.888 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001294718524 1062290159 /nfs/dbraw/zinc/29/01/59/1062290159.db2.gz AOEBAVPKDIURKY-NVQXNPDNSA-N 1 0 490.693 2.888 20 0 JFADRO CC(C)(Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001287094779 1062296601 /nfs/dbraw/zinc/29/66/01/1062296601.db2.gz QBEIDEWZBFUJLV-IBGZPJMESA-N 1 0 461.655 2.534 20 0 JFADRO CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001287094902 1062297556 /nfs/dbraw/zinc/29/75/56/1062297556.db2.gz RDOAZGLPLJUUAN-SFHVURJKSA-N 1 0 458.573 2.978 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC001294722222 1062299118 /nfs/dbraw/zinc/29/91/18/1062299118.db2.gz SMJWAXNSARHDNS-UHFFFAOYSA-N 1 0 458.607 2.531 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4n(n3)CCC[C@@H]4NC(=O)OC(C)(C)C)cn2)CC1 ZINC001290508717 1062307398 /nfs/dbraw/zinc/30/73/98/1062307398.db2.gz ILYJDXPHKVJHJA-KRWDZBQOSA-N 1 0 455.563 2.642 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CC1=O ZINC001294728870 1062309751 /nfs/dbraw/zinc/30/97/51/1062309751.db2.gz CBLSMBHDPJRCHG-QHCPKHFHSA-N 1 0 478.645 2.993 20 0 JFADRO CC(C)=CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001287100802 1062309816 /nfs/dbraw/zinc/30/98/16/1062309816.db2.gz CGOUTYBTWYHZKC-LJQANCHMSA-N 1 0 453.591 2.971 20 0 JFADRO CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001287102589 1062313793 /nfs/dbraw/zinc/31/37/93/1062313793.db2.gz OJIDVPFFGZLNJJ-SZPZYZBQSA-N 1 0 457.667 2.865 20 0 JFADRO Cc1nccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001290515287 1062314733 /nfs/dbraw/zinc/31/47/33/1062314733.db2.gz WSYCDMPGVNPOGP-UHFFFAOYSA-N 1 0 485.658 2.864 20 0 JFADRO CCCN1CCCN(c2nnc(C3CCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC001294733822 1062315794 /nfs/dbraw/zinc/31/57/94/1062315794.db2.gz PDVHZZKGFFRKBU-UHFFFAOYSA-N 1 0 454.619 2.983 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)CC1=O ZINC001294734515 1062318259 /nfs/dbraw/zinc/31/82/59/1062318259.db2.gz XQGVFFMVTHNVQT-UHFFFAOYSA-N 1 0 499.679 2.730 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)Cc2ccccc2)CC1=O ZINC001294735510 1062320802 /nfs/dbraw/zinc/32/08/02/1062320802.db2.gz VFYSCURFTGHQBB-UHFFFAOYSA-N 1 0 461.614 2.845 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001287109136 1062321458 /nfs/dbraw/zinc/32/14/58/1062321458.db2.gz HCRQRSIVFOAJBZ-IRLDBZIGSA-N 1 0 472.609 2.919 20 0 JFADRO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CCC[N@H+](C)C2CCCCC2)CC1=O ZINC001294739273 1062322433 /nfs/dbraw/zinc/32/24/33/1062322433.db2.gz FBAOLNOXFTYJBI-UHFFFAOYSA-N 1 0 473.666 2.504 20 0 JFADRO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1=O ZINC001294740197 1062323979 /nfs/dbraw/zinc/32/39/79/1062323979.db2.gz MOJHLLGSMNIEHF-FGZHOGPDSA-N 1 0 487.693 2.607 20 0 JFADRO CCCN1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1=O ZINC001294740248 1062324340 /nfs/dbraw/zinc/32/43/40/1062324340.db2.gz OHILGSSQKGQRRY-NRFANRHFSA-N 1 0 454.619 2.833 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001287111704 1062326943 /nfs/dbraw/zinc/32/69/43/1062326943.db2.gz GAOXYAMALOMTOV-UHFFFAOYSA-N 1 0 460.667 2.915 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287112100 1062327907 /nfs/dbraw/zinc/32/79/07/1062327907.db2.gz GREYGQLDRPLRQS-JOCHJYFZSA-N 1 0 486.636 2.550 20 0 JFADRO CCCN1CCCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CCC[N@@H+]2CC)CC1=O ZINC001294742863 1062330033 /nfs/dbraw/zinc/33/00/33/1062330033.db2.gz HCLNGZGHTGSLCV-HXUWFJFHSA-N 1 0 470.618 2.799 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001287112513 1062330166 /nfs/dbraw/zinc/33/01/66/1062330166.db2.gz SFCHOWBLTAZISE-QFIPXVFZSA-N 1 0 499.635 2.651 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294743569 1062332292 /nfs/dbraw/zinc/33/22/92/1062332292.db2.gz CNRWNPVGXCCUJZ-OALUTQOASA-N 1 0 484.605 2.515 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1=O ZINC001294743913 1062333993 /nfs/dbraw/zinc/33/39/93/1062333993.db2.gz ZMTGIRPBGBNNPR-FUDKSRODSA-N 1 0 476.666 2.715 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 ZINC001294744001 1062334792 /nfs/dbraw/zinc/33/47/92/1062334792.db2.gz JMNUOEMTCRSNJI-MSOLQXFVSA-N 1 0 472.725 2.875 20 0 JFADRO 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CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001294803527 1062452717 /nfs/dbraw/zinc/45/27/17/1062452717.db2.gz LWDSQSWKXUBASO-WMZOPIPTSA-N 1 0 459.664 2.859 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001287134662 1062453620 /nfs/dbraw/zinc/45/36/20/1062453620.db2.gz VMSDYEWYBZNYSH-HMXCVIKNSA-N 1 0 460.667 2.889 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290615894 1062463911 /nfs/dbraw/zinc/46/39/11/1062463911.db2.gz JEJWYWYZHJUSEV-SJORKVTESA-N 1 0 455.529 2.780 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290615890 1062464038 /nfs/dbraw/zinc/46/40/38/1062464038.db2.gz JEJWYWYZHJUSEV-IAGOWNOFSA-N 1 0 455.529 2.780 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001294809619 1062464849 /nfs/dbraw/zinc/46/48/49/1062464849.db2.gz BKIMZYRRAUZFKS-JTHBVZDNSA-N 1 0 473.710 2.779 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290616734 1062467885 /nfs/dbraw/zinc/46/78/85/1062467885.db2.gz CZPHQCIOACXOPG-HWBMXIPRSA-N 1 0 473.666 2.890 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290617692 1062471632 /nfs/dbraw/zinc/47/16/32/1062471632.db2.gz PCFDHFMFKYSSCX-YLJYHZDGSA-N 1 0 486.665 2.973 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@@H](C2CC2)[NH+](C)C)n1 ZINC001290617680 1062472575 /nfs/dbraw/zinc/47/25/75/1062472575.db2.gz LYXXTBDMZACKET-SFHVURJKSA-N 1 0 467.540 2.828 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@H](C(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001290618114 1062472594 /nfs/dbraw/zinc/47/25/94/1062472594.db2.gz SLBCYLGFZDFKIF-RYRKJORJSA-N 1 0 455.529 2.778 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@H](C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001290618329 1062474807 /nfs/dbraw/zinc/47/48/07/1062474807.db2.gz SOACMLXZHAIDAT-NHCUHLMSSA-N 1 0 467.618 2.742 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001294811863 1062480879 /nfs/dbraw/zinc/48/08/79/1062480879.db2.gz QSWZSLYEBGGFIN-BJESRGMDSA-N 1 0 490.693 2.865 20 0 JFADRO CC(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001287138212 1062482926 /nfs/dbraw/zinc/48/29/26/1062482926.db2.gz FHSOBYAONJARFC-UHFFFAOYSA-N 1 0 487.718 2.697 20 0 JFADRO CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001287140802 1062497376 /nfs/dbraw/zinc/49/73/76/1062497376.db2.gz SMWJARHZQASZMC-OAQYLSRUSA-N 1 0 454.619 2.655 20 0 JFADRO CC(C)C(=O)NCCn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001287141363 1062500080 /nfs/dbraw/zinc/50/00/80/1062500080.db2.gz WJYUMSMYBZITJQ-UHFFFAOYSA-N 1 0 451.619 2.974 20 0 JFADRO CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001287141858 1062502548 /nfs/dbraw/zinc/50/25/48/1062502548.db2.gz RAAOHIVKJJEEOA-UHFFFAOYSA-N 1 0 499.679 2.775 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001294822027 1062504985 /nfs/dbraw/zinc/50/49/85/1062504985.db2.gz DSSGCJABRJNUMH-UHFFFAOYSA-N 1 0 464.618 2.531 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001287142729 1062505056 /nfs/dbraw/zinc/50/50/56/1062505056.db2.gz NKRJZFHYYJWMRN-NRFANRHFSA-N 1 0 496.722 2.748 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290631902 1062507779 /nfs/dbraw/zinc/50/77/79/1062507779.db2.gz SGPLUUHCOFILFL-ZRBLBEILSA-N 1 0 473.666 2.890 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001287146348 1062512086 /nfs/dbraw/zinc/51/20/86/1062512086.db2.gz QRAPOONOCMLOKE-DEOSSOPVSA-N 1 0 455.607 2.787 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294827766 1062513849 /nfs/dbraw/zinc/51/38/49/1062513849.db2.gz GSBMRRRDOZYXJS-VWPQPMDRSA-N 1 0 487.693 2.730 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](Cc4noc(C)n4)C3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001290634825 1062513957 /nfs/dbraw/zinc/51/39/57/1062513957.db2.gz ITXTZBRKFCDSKX-FQEVSTJZSA-N 1 0 469.638 2.878 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)n1 ZINC001290635151 1062514494 /nfs/dbraw/zinc/51/44/94/1062514494.db2.gz KPCCALJHGICZON-HXUWFJFHSA-N 1 0 499.582 2.800 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294829178 1062516698 /nfs/dbraw/zinc/51/66/98/1062516698.db2.gz SWCQKUORJIKNQW-UHFFFAOYSA-N 1 0 486.636 2.861 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC001294829323 1062517263 /nfs/dbraw/zinc/51/72/63/1062517263.db2.gz WFWCKJVFRLFYFH-OAQYLSRUSA-N 1 0 475.726 2.883 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2CC(C)(C)O)n1 ZINC001290638998 1062522394 /nfs/dbraw/zinc/52/23/94/1062522394.db2.gz FLGKAQKXMAJBMC-UHFFFAOYSA-N 1 0 455.582 2.762 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001287151364 1062523132 /nfs/dbraw/zinc/52/31/32/1062523132.db2.gz ABSCFXTWXWZOPD-BVSLBCMMSA-N 1 0 487.693 2.727 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)OC(C)(C)C)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001290639455 1062523551 /nfs/dbraw/zinc/52/35/51/1062523551.db2.gz CMAYZOFCAHJMBI-UHFFFAOYSA-N 1 0 474.654 2.927 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001294834412 1062524655 /nfs/dbraw/zinc/52/46/55/1062524655.db2.gz QVAISQNQKPZMFJ-PUHATCMVSA-N 1 0 490.693 2.865 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001290640981 1062528519 /nfs/dbraw/zinc/52/85/19/1062528519.db2.gz MXLWITONMCRUFN-GOSISDBHSA-N 1 0 470.588 2.800 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001287153050 1062528644 /nfs/dbraw/zinc/52/86/44/1062528644.db2.gz KGOWCAAWVBPGSY-MBSDFSHPSA-N 1 0 460.648 2.741 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001287153084 1062529027 /nfs/dbraw/zinc/52/90/27/1062529027.db2.gz MBSWJROGYCZVAU-AVRWGWEMSA-N 1 0 472.609 2.528 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001287153169 1062530103 /nfs/dbraw/zinc/53/01/03/1062530103.db2.gz NFDUIFWBPTYRGU-FQEVSTJZSA-N 1 0 468.650 2.988 20 0 JFADRO CCCNC(=O)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294838655 1062530585 /nfs/dbraw/zinc/53/05/85/1062530585.db2.gz FLIOQRDDOUDWTR-MRXNPFEDSA-N 1 0 450.534 2.993 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290642064 1062531469 /nfs/dbraw/zinc/53/14/69/1062531469.db2.gz VHEFPQRUXVZBPV-NRFANRHFSA-N 1 0 487.697 2.746 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001287153499 1062532408 /nfs/dbraw/zinc/53/24/08/1062532408.db2.gz PNAZGNPYDLSPSP-NQIIRXRSSA-N 1 0 496.660 2.643 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001287153501 1062532512 /nfs/dbraw/zinc/53/25/12/1062532512.db2.gz PNAZGNPYDLSPSP-WIYYLYMNSA-N 1 0 496.660 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCOC[C@@H]2CCOC2)n1 ZINC001290642262 1062532556 /nfs/dbraw/zinc/53/25/56/1062532556.db2.gz YDAMBBDKYGUFDS-NRFANRHFSA-N 1 0 459.639 2.503 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287155538 1062539601 /nfs/dbraw/zinc/53/96/01/1062539601.db2.gz HTJIJVPXTOPUGR-NRFANRHFSA-N 1 0 460.648 2.584 20 0 JFADRO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001287155610 1062539668 /nfs/dbraw/zinc/53/96/68/1062539668.db2.gz DEWIERQPJPUMFK-PMACEKPBSA-N 1 0 489.665 2.738 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001290647310 1062540959 /nfs/dbraw/zinc/54/09/59/1062540959.db2.gz WCDPMVRMSDNLTJ-KNQAVFIVSA-N 1 0 470.666 2.565 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(F)(F)Br)n1 ZINC001290647652 1062541848 /nfs/dbraw/zinc/54/18/48/1062541848.db2.gz XDKCMWDAZNSMSZ-UHFFFAOYSA-N 1 0 458.355 2.802 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C)[NH+]1CCOCC1 ZINC001287156233 1062542373 /nfs/dbraw/zinc/54/23/73/1062542373.db2.gz MZBGRHPGBYAWMC-SFHVURJKSA-N 1 0 458.998 2.720 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCOCC1 ZINC001287156398 1062543705 /nfs/dbraw/zinc/54/37/05/1062543705.db2.gz NNVFZXHEWQQGLL-RTWAWAEBSA-N 1 0 485.633 2.800 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290648313 1062544289 /nfs/dbraw/zinc/54/42/89/1062544289.db2.gz JIOPLXJFSLKMJG-FKBYEOEOSA-N 1 0 473.666 2.889 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001294847685 1062546863 /nfs/dbraw/zinc/54/68/63/1062546863.db2.gz WNAKTHZCTWQYPI-ROUUACIJSA-N 1 0 456.591 2.552 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287158281 1062550366 /nfs/dbraw/zinc/55/03/66/1062550366.db2.gz RXRGUZGEOHZKBW-FQEVSTJZSA-N 1 0 499.056 2.940 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001290653910 1062552979 /nfs/dbraw/zinc/55/29/79/1062552979.db2.gz KSGXPCZQDVHVEJ-FQEVSTJZSA-N 1 0 469.659 2.619 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287159519 1062556890 /nfs/dbraw/zinc/55/68/90/1062556890.db2.gz BYPOPMMIPCBIOS-TZIWHRDSSA-N 1 0 463.623 2.752 20 0 JFADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+]1CCCC1 ZINC001287160364 1062559463 /nfs/dbraw/zinc/55/94/63/1062559463.db2.gz RBXCORZDLHJUEL-CTNGQTDRSA-N 1 0 473.666 2.754 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287160420 1062560087 /nfs/dbraw/zinc/56/00/87/1062560087.db2.gz DNBCFAJAOGOEJC-HBFSDRIKSA-N 1 0 470.622 2.957 20 0 JFADRO Cc1cc(C)n(CC2CCN(c3nnc(CNC(=O)c4cccs4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001290659212 1062563550 /nfs/dbraw/zinc/56/35/50/1062563550.db2.gz JKQZSUAAFMZOSA-IBGZPJMESA-N 1 0 484.674 2.950 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001290659684 1062563983 /nfs/dbraw/zinc/56/39/83/1062563983.db2.gz HPASAWJIRYIIGA-FPOVZHCZSA-N 1 0 455.582 2.677 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001290659685 1062564039 /nfs/dbraw/zinc/56/40/39/1062564039.db2.gz HPASAWJIRYIIGA-PZJWPPBQSA-N 1 0 455.582 2.677 20 0 JFADRO CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCCC1 ZINC001287162159 1062565316 /nfs/dbraw/zinc/56/53/16/1062565316.db2.gz GCIQGPILNFBXNO-OAQYLSRUSA-N 1 0 458.582 2.818 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccnc4)n3CC(C)(C)C[NH+](C)C)CCO2)n1 ZINC001290660443 1062566452 /nfs/dbraw/zinc/56/64/52/1062566452.db2.gz MUYDHNPRBOYLSG-OAQYLSRUSA-N 1 0 452.607 2.647 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287163278 1062569162 /nfs/dbraw/zinc/56/91/62/1062569162.db2.gz WAVYVSZMUSTPDF-RTWAWAEBSA-N 1 0 463.623 2.752 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001290661388 1062569938 /nfs/dbraw/zinc/56/99/38/1062569938.db2.gz WWDBDCRFIHGKCI-HKUYNNGSSA-N 1 0 458.998 2.662 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001287163604 1062570368 /nfs/dbraw/zinc/57/03/68/1062570368.db2.gz RVFRCDBWFPXHEE-HSALFYBXSA-N 1 0 489.665 2.795 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287163638 1062570911 /nfs/dbraw/zinc/57/09/11/1062570911.db2.gz XCPQCDLBZCKPFJ-YADHBBJMSA-N 1 0 474.675 2.788 20 0 JFADRO Cc1cc(C)n(CCCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCCC3)CC2)n1 ZINC001290664397 1062573669 /nfs/dbraw/zinc/57/36/69/1062573669.db2.gz MKSKCYSKMRFECH-UHFFFAOYSA-N 1 0 456.639 2.775 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287164832 1062575014 /nfs/dbraw/zinc/57/50/14/1062575014.db2.gz YLGROJNGZRDELA-PKOBYXMFSA-N 1 0 469.556 2.703 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001287166459 1062577313 /nfs/dbraw/zinc/57/73/13/1062577313.db2.gz IHLDACKUAFRBKD-AABGKKOBSA-N 1 0 490.674 2.764 20 0 JFADRO CC(C)c1csc([C@@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H](C)[NH+](C)C)C2)n1 ZINC001287167337 1062579790 /nfs/dbraw/zinc/57/97/90/1062579790.db2.gz PGNMCBSAKBKGDX-IXDOHACOSA-N 1 0 483.708 2.802 20 0 JFADRO Cc1nnc([C@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001290673544 1062583297 /nfs/dbraw/zinc/58/32/97/1062583297.db2.gz KZFLKLOUFRBGCJ-WOJBJXKFSA-N 1 0 461.611 2.950 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)[NH+](C)C)cn1 ZINC001287169878 1062584099 /nfs/dbraw/zinc/58/40/99/1062584099.db2.gz DAVNRDRNEBFEJZ-LJQANCHMSA-N 1 0 463.590 2.815 20 0 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CC(C)c1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCOCC[NH+](C)C)CC2)n1 ZINC001287230144 1062718199 /nfs/dbraw/zinc/71/81/99/1062718199.db2.gz IPAKOVVYWQVZPD-SFHVURJKSA-N 1 0 462.643 2.543 20 0 JFADRO CC(C)c1noc([C@H](C)N2CCN(c3nnc(-c4cccnc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001287230833 1062719247 /nfs/dbraw/zinc/71/92/47/1062719247.db2.gz MIFMERIINPHCHF-MSOLQXFVSA-N 1 0 453.595 2.680 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940114 1062724567 /nfs/dbraw/zinc/72/45/67/1062724567.db2.gz MCIGOILMACVCPB-GOSISDBHSA-N 1 0 458.607 2.798 20 0 JFADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001290834192 1062726375 /nfs/dbraw/zinc/72/63/75/1062726375.db2.gz VLXXYTVKNMFQJH-AVCGJXAMSA-N 1 0 466.696 2.928 20 0 JFADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001290834195 1062726856 /nfs/dbraw/zinc/72/68/56/1062726856.db2.gz VLXXYTVKNMFQJH-RZFNWQHOSA-N 1 0 466.696 2.928 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001294941200 1062727375 /nfs/dbraw/zinc/72/73/75/1062727375.db2.gz XBVZRNMBUMXOPP-SFTDATJTSA-N 1 0 486.661 2.994 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1OC ZINC001294941199 1062727471 /nfs/dbraw/zinc/72/74/71/1062727471.db2.gz XBVZRNMBUMXOPP-RTWAWAEBSA-N 1 0 486.661 2.994 20 0 JFADRO CC(C)[C@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001287246681 1062732389 /nfs/dbraw/zinc/73/23/89/1062732389.db2.gz OBMWCZLIHLFNFN-UXHICEINSA-N 1 0 482.695 2.500 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC001294947825 1062732668 /nfs/dbraw/zinc/73/26/68/1062732668.db2.gz VCPWLFLJJUXMLX-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC001290846539 1062733044 /nfs/dbraw/zinc/73/30/44/1062733044.db2.gz FELYUEQAVKYXLE-AJAKECSLSA-N 1 0 455.580 2.616 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC001294948341 1062733208 /nfs/dbraw/zinc/73/32/08/1062733208.db2.gz YIZUGCSEAJLMAX-IBGZPJMESA-N 1 0 461.632 2.651 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287262056 1062738085 /nfs/dbraw/zinc/73/80/85/1062738085.db2.gz LEHZEFBXWKPWQS-IRLDBZIGSA-N 1 0 454.619 2.895 20 0 JFADRO CC(C)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001287265815 1062742210 /nfs/dbraw/zinc/74/22/10/1062742210.db2.gz WIOGBMVMWAYRIX-NRFANRHFSA-N 1 0 496.722 2.605 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287265831 1062742234 /nfs/dbraw/zinc/74/22/34/1062742234.db2.gz WLVLSRLSHRMIDE-FCHUYYIVSA-N 1 0 489.686 2.846 20 0 JFADRO CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001287265912 1062743207 /nfs/dbraw/zinc/74/32/07/1062743207.db2.gz YLOUFDDSELXUCN-RBBKRZOGSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287265910 1062743337 /nfs/dbraw/zinc/74/33/37/1062743337.db2.gz YLOUFDDSELXUCN-IFMALSPDSA-N 1 0 496.722 2.748 20 0 JFADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001290865188 1062748231 /nfs/dbraw/zinc/74/82/31/1062748231.db2.gz MJWOVCMTABOSSB-SFHVURJKSA-N 1 0 462.602 2.536 20 0 JFADRO Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(I)cc1 ZINC001290866815 1062748759 /nfs/dbraw/zinc/74/87/59/1062748759.db2.gz CLKAJNJLMHTSPR-OAHLLOKOSA-N 1 0 481.382 2.929 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C)CCS1 ZINC001287277195 1062754061 /nfs/dbraw/zinc/75/40/61/1062754061.db2.gz KSJDKZUUOJJCLM-QFBILLFUSA-N 1 0 451.662 2.877 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290870620 1062756124 /nfs/dbraw/zinc/75/61/24/1062756124.db2.gz VTUIBDDXTSQSIS-NRFANRHFSA-N 1 0 471.606 2.851 20 0 JFADRO CCCOc1cccc(CCn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001294973157 1062756539 /nfs/dbraw/zinc/75/65/39/1062756539.db2.gz CUJJULVADMQTQP-UHFFFAOYSA-N 1 0 454.619 2.962 20 0 JFADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001294975318 1062760291 /nfs/dbraw/zinc/76/02/91/1062760291.db2.gz ZXGKICKUGYVINL-LJQANCHMSA-N 1 0 469.634 2.959 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001287296251 1062768904 /nfs/dbraw/zinc/76/89/04/1062768904.db2.gz SUHXRQMFCDSWJT-QHCPKHFHSA-N 1 0 470.662 2.787 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001287296250 1062769215 /nfs/dbraw/zinc/76/92/15/1062769215.db2.gz SUHXRQMFCDSWJT-HSZRJFAPSA-N 1 0 470.662 2.787 20 0 JFADRO C[C@H]1CN(c2ccc(CNC(=O)CC[NH+]3CCN(c4cccc(Cl)c4)CC3)cn2)CCO1 ZINC001290893662 1062769843 /nfs/dbraw/zinc/76/98/43/1062769843.db2.gz FXBZANDFKVQEMC-IBGZPJMESA-N 1 0 458.006 2.789 20 0 JFADRO Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001290894926 1062770400 /nfs/dbraw/zinc/77/04/00/1062770400.db2.gz FOFMLTPJKUDFIN-UHFFFAOYSA-N 1 0 461.632 2.513 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001287299062 1062772184 /nfs/dbraw/zinc/77/21/84/1062772184.db2.gz MKESZRSFCUWKJN-AXHZCLLHSA-N 1 0 494.706 2.995 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001294986229 1062773083 /nfs/dbraw/zinc/77/30/83/1062773083.db2.gz DTFOXXBNJPAKAX-CVDCTZTESA-N 1 0 464.680 2.737 20 0 JFADRO Cc1noc([C@@H](C)N2CCN(c3nnc([C@H]4CCCOC4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001290902754 1062777138 /nfs/dbraw/zinc/77/71/38/1062777138.db2.gz OFXVQSRRBTXJEJ-CTNGQTDRSA-N 1 0 474.654 2.866 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001294988990 1062777477 /nfs/dbraw/zinc/77/74/77/1062777477.db2.gz HPKGISRRZYBBPJ-LJQANCHMSA-N 1 0 451.633 2.523 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001294997380 1062783647 /nfs/dbraw/zinc/78/36/47/1062783647.db2.gz RGKFXXIQBWTBOT-HSALFYBXSA-N 1 0 470.684 2.548 20 0 JFADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287318500 1062789804 /nfs/dbraw/zinc/78/98/04/1062789804.db2.gz BWAJQOXFLNLYEV-YADHBBJMSA-N 1 0 455.651 2.726 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320550 1062794925 /nfs/dbraw/zinc/79/49/25/1062794925.db2.gz VUZAQWFPLOUPCN-RTBURBONSA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001287320854 1062795571 /nfs/dbraw/zinc/79/55/71/1062795571.db2.gz XZKXDDJVHPGDQJ-RTBURBONSA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001287321009 1062796734 /nfs/dbraw/zinc/79/67/34/1062796734.db2.gz ZJOMFTIKLCQTAE-FQEVSTJZSA-N 1 0 470.618 2.898 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287321650 1062799136 /nfs/dbraw/zinc/79/91/36/1062799136.db2.gz KTCJYGANANWLJC-NRFANRHFSA-N 1 0 499.685 2.941 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290925059 1062799886 /nfs/dbraw/zinc/79/98/86/1062799886.db2.gz CWNLZEYPMFXIIU-FOIQADDNSA-N 1 0 493.609 2.572 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287322931 1062800686 /nfs/dbraw/zinc/80/06/86/1062800686.db2.gz SVUIDDVIUUCRBC-WIYYLYMNSA-N 1 0 492.690 2.954 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001287323269 1062800937 /nfs/dbraw/zinc/80/09/37/1062800937.db2.gz VIIVURISXAUYLC-QGZVFWFLSA-N 1 0 450.534 2.849 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287323962 1062801356 /nfs/dbraw/zinc/80/13/56/1062801356.db2.gz YFSZPFRLXQGLLG-QGZVFWFLSA-N 1 0 487.045 2.796 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328693 1062803231 /nfs/dbraw/zinc/80/32/31/1062803231.db2.gz KPENHPHVOQNZCQ-NQIIRXRSSA-N 1 0 485.608 2.827 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328630 1062803442 /nfs/dbraw/zinc/80/34/42/1062803442.db2.gz JMBQWDIBEOKYLD-NBGIEHNGSA-N 1 0 467.618 2.736 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328724 1062803766 /nfs/dbraw/zinc/80/37/66/1062803766.db2.gz LEZFTWGQHOHMBK-PKTZIBPZSA-N 1 0 498.720 2.783 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014616 1062804401 /nfs/dbraw/zinc/80/44/01/1062804401.db2.gz DSWHZLMJPBEWSU-SJBKTWHCSA-N 1 0 496.722 2.938 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1)[NH+](C)C ZINC001287329162 1062805467 /nfs/dbraw/zinc/80/54/67/1062805467.db2.gz RNYDUHCAHXTRPV-UYAOXDASSA-N 1 0 471.679 2.995 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc(Cl)cn2)CC1)[NH+](C)C ZINC001287330086 1062806867 /nfs/dbraw/zinc/80/68/67/1062806867.db2.gz JZXOIBQMWUFSNJ-RBUKOAKNSA-N 1 0 463.030 2.897 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001287333211 1062810148 /nfs/dbraw/zinc/81/01/48/1062810148.db2.gz MVNBBDOJMNFXQH-GGAORHGYSA-N 1 0 483.661 2.519 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001287333691 1062810587 /nfs/dbraw/zinc/81/05/87/1062810587.db2.gz OHDYZYXQFIIODB-JOCHJYFZSA-N 1 0 453.635 2.831 20 0 JFADRO CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001287334540 1062812233 /nfs/dbraw/zinc/81/22/33/1062812233.db2.gz XLOALKHRYIMJST-JOCHJYFZSA-N 1 0 459.683 2.656 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001287335731 1062814552 /nfs/dbraw/zinc/81/45/52/1062814552.db2.gz WPHCNMKAIUUZAC-VXKWHMMOSA-N 1 0 455.651 2.981 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001287341323 1062818636 /nfs/dbraw/zinc/81/86/36/1062818636.db2.gz NLKHXBOQDHIPMC-UWHLTILDSA-N 1 0 498.738 2.643 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[C@@H](C)[NH+]3CCCCC3)C2)n1 ZINC001290944738 1062819176 /nfs/dbraw/zinc/81/91/76/1062819176.db2.gz WLFNFRSPOKEXTP-MJGOQNOKSA-N 1 0 458.611 2.756 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)C2)n1 ZINC001290944807 1062819891 /nfs/dbraw/zinc/81/98/91/1062819891.db2.gz YPVOYKTXZGRDHG-UYAOXDASSA-N 1 0 484.580 2.934 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295020767 1062821781 /nfs/dbraw/zinc/82/17/81/1062821781.db2.gz DLQHKQBKCQRDFQ-MOPGFXCFSA-N 1 0 466.696 2.649 20 0 JFADRO CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001287351929 1062823914 /nfs/dbraw/zinc/82/39/14/1062823914.db2.gz KWTRYBRMOAODPM-OAQYLSRUSA-N 1 0 480.654 2.779 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482.677 2.665 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015207 1062925264 /nfs/dbraw/zinc/92/52/64/1062925264.db2.gz NVSRDMXNRBMTMY-KDURUIRLSA-N 1 0 479.622 2.599 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001287475956 1062926430 /nfs/dbraw/zinc/92/64/30/1062926430.db2.gz CTIZFAOWUBPSKH-RUZDIDTESA-N 1 0 458.651 2.972 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291016020 1062927357 /nfs/dbraw/zinc/92/73/57/1062927357.db2.gz ZMBPHIXJGMTCGY-WOJBJXKFSA-N 1 0 474.675 2.645 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001287476476 1062929974 /nfs/dbraw/zinc/92/99/74/1062929974.db2.gz JEENLEUYNBCEJO-NHCUHLMSSA-N 1 0 473.710 2.634 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001287476707 1062931529 /nfs/dbraw/zinc/93/15/29/1062931529.db2.gz NNIHMQSVOYNIIX-HSZRJFAPSA-N 1 0 473.710 2.732 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287477542 1062934380 /nfs/dbraw/zinc/93/43/80/1062934380.db2.gz XJDLMFCAGOJBLW-UHFFFAOYSA-N 1 0 481.689 2.789 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC001295125784 1062939058 /nfs/dbraw/zinc/93/90/58/1062939058.db2.gz ATPGLZKPNBCAEB-HSZRJFAPSA-N 1 0 495.672 2.755 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(OC)CC2)c1 ZINC001295126195 1062939230 /nfs/dbraw/zinc/93/92/30/1062939230.db2.gz CTPAMBCTQLLKCH-DVECYGJZSA-N 1 0 492.690 2.784 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)c1 ZINC001295125772 1062939318 /nfs/dbraw/zinc/93/93/18/1062939318.db2.gz AKJSUWUHVFEWGR-UHFFFAOYSA-N 1 0 497.688 2.561 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(NC(=O)C(C)C)CC2)c1 ZINC001295125808 1062939511 /nfs/dbraw/zinc/93/95/11/1062939511.db2.gz BHMTWPHIDVLXRE-UHFFFAOYSA-N 1 0 476.629 2.976 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)OC(C)(C)C2)c1 ZINC001295126007 1062939880 /nfs/dbraw/zinc/93/98/80/1062939880.db2.gz BOGJDMXJBNDRHF-LJQANCHMSA-N 1 0 454.619 2.904 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCN(CC(=O)NC(C)C)CC3)nnc2C(C)(C)C)c1 ZINC001295126008 1062940173 /nfs/dbraw/zinc/94/01/73/1062940173.db2.gz BOTBEGPBHIFZFP-UHFFFAOYSA-N 1 0 469.678 2.722 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001287485719 1062940784 /nfs/dbraw/zinc/94/07/84/1062940784.db2.gz ATZAHZYJAXBPKT-JTHBVZDNSA-N 1 0 488.702 2.859 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001295126452 1062942037 /nfs/dbraw/zinc/94/20/37/1062942037.db2.gz HHPKYYFMKYPJHP-IGKIAQTJSA-N 1 0 498.672 2.924 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC)CC2)c1 ZINC001295126401 1062942135 /nfs/dbraw/zinc/94/21/35/1062942135.db2.gz GCWMSRAHQPXPFB-UHFFFAOYSA-N 1 0 453.635 2.972 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2C)c1 ZINC001295126653 1062942850 /nfs/dbraw/zinc/94/28/50/1062942850.db2.gz HMJQTOWGBLYFRJ-UHFFFAOYSA-N 1 0 464.618 2.692 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC001295126913 1062943555 /nfs/dbraw/zinc/94/35/55/1062943555.db2.gz IXMCNSIZSPOAPI-OAQYLSRUSA-N 1 0 483.642 2.639 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001295127146 1062945137 /nfs/dbraw/zinc/94/51/37/1062945137.db2.gz MEPACZAENWXPJS-WAOWUJCRSA-N 1 0 463.648 2.540 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001287488194 1062945577 /nfs/dbraw/zinc/94/55/77/1062945577.db2.gz WXVCYCKANYHNLF-OAQYLSRUSA-N 1 0 474.675 2.613 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)c1 ZINC001295127775 1062947327 /nfs/dbraw/zinc/94/73/27/1062947327.db2.gz UHNPWSODYOVFIP-UHFFFAOYSA-N 1 0 478.645 2.953 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCC(CNC(C)=O)CC2)c1 ZINC001295127827 1062947371 /nfs/dbraw/zinc/94/73/71/1062947371.db2.gz VPAUIWBWSRHEKE-UHFFFAOYSA-N 1 0 462.602 2.588 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 ZINC001295127958 1062948069 /nfs/dbraw/zinc/94/80/69/1062948069.db2.gz XOYIKWKREIOGDJ-HXUWFJFHSA-N 1 0 467.662 2.691 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)c1 ZINC001295128150 1062948499 /nfs/dbraw/zinc/94/84/99/1062948499.db2.gz XZCFSMAXCMHSMX-VWLOTQADSA-N 1 0 492.672 2.944 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC001295128165 1062948665 /nfs/dbraw/zinc/94/86/65/1062948665.db2.gz YFUVVXHDVDNIAM-JOCHJYFZSA-N 1 0 483.661 2.912 20 0 JFADRO CC(C)Cc1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287493505 1062948765 /nfs/dbraw/zinc/94/87/65/1062948765.db2.gz BZBJAFWANIGKLR-QHCPKHFHSA-N 1 0 467.618 2.777 20 0 JFADRO CCN(c1nnc(C(C)(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295137826 1062956950 /nfs/dbraw/zinc/95/69/50/1062956950.db2.gz COWMFHZSKLTYGP-HXUWFJFHSA-N 1 0 460.648 2.901 20 0 JFADRO CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)C ZINC001295138959 1062957568 /nfs/dbraw/zinc/95/75/68/1062957568.db2.gz XZKIEJIUPXBLFR-NRFANRHFSA-N 1 0 463.586 2.775 20 0 JFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145518 1062965824 /nfs/dbraw/zinc/96/58/24/1062965824.db2.gz FJWCIRYYVMIYOZ-MSOLQXFVSA-N 1 0 455.452 2.974 20 0 JFADRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC001295145521 1062966075 /nfs/dbraw/zinc/96/60/75/1062966075.db2.gz FJWCIRYYVMIYOZ-QZTJIDSGSA-N 1 0 455.452 2.974 20 0 JFADRO C[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC001291048251 1062977246 /nfs/dbraw/zinc/97/72/46/1062977246.db2.gz OVQURWPWMUCZSL-CGXNFDGLSA-N 1 0 482.695 2.500 20 0 JFADRO 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496.704 2.564 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCSC2)CC1 ZINC001291052776 1062985088 /nfs/dbraw/zinc/98/50/88/1062985088.db2.gz YBYCVJLMWNFIED-JXALWOEJSA-N 1 0 464.724 2.730 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@H]1CC[C@@H](C)C1 ZINC001291054428 1062988521 /nfs/dbraw/zinc/98/85/21/1062988521.db2.gz STIMMHDZFYVICL-YSTOQKLRSA-N 1 0 452.669 2.637 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@H]1CC[C@@H](C)C1 ZINC001291054426 1062988588 /nfs/dbraw/zinc/98/85/88/1062988588.db2.gz STIMMHDZFYVICL-FUMNGEBKSA-N 1 0 452.669 2.637 20 0 JFADRO CC(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001287567546 1062988662 /nfs/dbraw/zinc/98/86/62/1062988662.db2.gz RDGBFLVQOGGQCY-PKTZIBPZSA-N 1 0 462.683 2.840 20 0 JFADRO CC(C)NC(=O)Cn1c(N2CC[NH+](C3CCC(C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291061198 1062996392 /nfs/dbraw/zinc/99/63/92/1062996392.db2.gz CLJLDKROXOEGKY-BAWHURIHSA-N 1 0 476.666 2.544 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC1CC(F)(F)C1 ZINC001291061654 1062998154 /nfs/dbraw/zinc/99/81/54/1062998154.db2.gz UHOGGZVVUZCGSQ-PQUAAJSLSA-N 1 0 474.622 2.634 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC1CC(F)(F)C1 ZINC001291061655 1062998233 /nfs/dbraw/zinc/99/82/33/1062998233.db2.gz UHOGGZVVUZCGSQ-UPTPFMHGSA-N 1 0 474.622 2.634 20 0 JFADRO CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175703 1063000192 /nfs/dbraw/zinc/00/01/92/1063000192.db2.gz MZFXJHHRJLVOSZ-RBUKOAKNSA-N 1 0 477.631 2.664 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[N@H+](C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295176079 1063000232 /nfs/dbraw/zinc/00/02/32/1063000232.db2.gz NYXDLEQWNKTTOD-IBGZPJMESA-N 1 0 491.658 2.850 20 0 JFADRO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001291062405 1063000614 /nfs/dbraw/zinc/00/06/14/1063000614.db2.gz WXTOCNXSACSOFQ-SOAGJPPSSA-N 1 0 489.665 2.845 20 0 JFADRO C[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001291063027 1063003211 /nfs/dbraw/zinc/00/32/11/1063003211.db2.gz IYUDBPDFERDKOU-SJORKVTESA-N 1 0 494.731 2.942 20 0 JFADRO C[C@@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001291063999 1063006140 /nfs/dbraw/zinc/00/61/40/1063006140.db2.gz AVKVKWZLQBECAZ-SJORKVTESA-N 1 0 494.731 2.942 20 0 JFADRO CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001287620205 1063006147 /nfs/dbraw/zinc/00/61/47/1063006147.db2.gz MZONKWIUHZMDFG-VXKWHMMOSA-N 1 0 496.722 2.750 20 0 JFADRO CC[NH+](CC)CCN(C(=O)Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001295183716 1063007095 /nfs/dbraw/zinc/00/70/95/1063007095.db2.gz LHPIYUWPSDGOGJ-QGZVFWFLSA-N 1 0 450.523 2.528 20 0 JFADRO CC[NH+](CC)CCN(C(=O)CCCc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC001295184934 1063007427 /nfs/dbraw/zinc/00/74/27/1063007427.db2.gz SQYKDXGYOAMREF-HXUWFJFHSA-N 1 0 452.617 2.528 20 0 JFADRO CCN(c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295184982 1063007729 /nfs/dbraw/zinc/00/77/29/1063007729.db2.gz PXNOTQYTBHXDTL-PMACEKPBSA-N 1 0 460.648 2.866 20 0 JFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)c(F)cc1I ZINC001287624762 1063007745 /nfs/dbraw/zinc/00/77/45/1063007745.db2.gz MCUOEHYWCMKNQU-UHFFFAOYSA-N 1 0 452.283 3.000 20 0 JFADRO CC[NH+](CC)CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001295185221 1063008051 /nfs/dbraw/zinc/00/80/51/1063008051.db2.gz XJZVKCFHIPTVIL-IBGZPJMESA-N 1 0 453.992 2.895 20 0 JFADRO CCN(c1nnc(-c2ccccn2)n1CCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295184983 1063008200 /nfs/dbraw/zinc/00/82/00/1063008200.db2.gz PXNOTQYTBHXDTL-UXHICEINSA-N 1 0 460.648 2.866 20 0 JFADRO C[C@@H]1CCc2sc(-c3nnc(N4CCC(S(C)(=O)=O)CC4)n3CCOCC[NH+](C)C)cc2C1 ZINC001291065323 1063009393 /nfs/dbraw/zinc/00/93/93/1063009393.db2.gz ZALQGMPDRKPDSF-QGZVFWFLSA-N 1 0 495.715 2.723 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@H]32)CC1 ZINC001287629053 1063009601 /nfs/dbraw/zinc/00/96/01/1063009601.db2.gz IHGQCGUARBVAQO-DFQSSKMNSA-N 1 0 452.669 2.635 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[C@@H]32)CC1 ZINC001287629054 1063009715 /nfs/dbraw/zinc/00/97/15/1063009715.db2.gz IHGQCGUARBVAQO-IHPCNDPISA-N 1 0 452.669 2.635 20 0 JFADRO C[C@H]1CCC[C@](Cn2c(-c3cnccn3)nnc2N2CCC(CCC(N)=O)CC2)([NH+](C)C)C1 ZINC001291065445 1063010243 /nfs/dbraw/zinc/01/02/43/1063010243.db2.gz AYFXXQVTRZPYQA-UUOWRZLLSA-N 1 0 454.623 2.728 20 0 JFADRO C[C@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCn2cccn2)([NH+](C)C)C1 ZINC001291065518 1063010262 /nfs/dbraw/zinc/01/02/62/1063010262.db2.gz BXODTZBAWPBBDS-CYFREDJKSA-N 1 0 465.606 2.769 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001287630207 1063010883 /nfs/dbraw/zinc/01/08/83/1063010883.db2.gz PUJXDPMSJQNGMQ-NRFANRHFSA-N 1 0 489.709 2.868 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291065811 1063010993 /nfs/dbraw/zinc/01/09/93/1063010993.db2.gz GIKPWPCOXAUFMO-KCYKTTMJSA-N 1 0 456.591 2.884 20 0 JFADRO CCn1c2ccc(C(=O)N(Cc3ccc(O)cc3)C[C@@H]3CCC[N@@H+]3CC)cc2[nH]c(=O)c1=O ZINC001295188483 1063011365 /nfs/dbraw/zinc/01/13/65/1063011365.db2.gz YGPPKRIGUVOQAA-IBGZPJMESA-N 1 0 450.539 2.542 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001295188535 1063011729 /nfs/dbraw/zinc/01/17/29/1063011729.db2.gz ZCVMIMGBVJARSH-OAQYLSRUSA-N 1 0 450.539 2.571 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001291066528 1063012080 /nfs/dbraw/zinc/01/20/80/1063012080.db2.gz OYWZATVSXFPXES-KDYSTLNUSA-N 1 0 495.672 2.889 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291067204 1063013472 /nfs/dbraw/zinc/01/34/72/1063013472.db2.gz YAQWBAQICLVGJZ-KSZKVXGTSA-N 1 0 472.725 2.729 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C(N)=O)cc2)([NH+](C)C)C1 ZINC001291067540 1063013775 /nfs/dbraw/zinc/01/37/75/1063013775.db2.gz BRUNGMTZXTYJNX-NIYFSFCBSA-N 1 0 481.645 2.646 20 0 JFADRO CC(C)CCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001287636130 1063015827 /nfs/dbraw/zinc/01/58/27/1063015827.db2.gz NARVVKKWYRWAOI-UHFFFAOYSA-N 1 0 484.645 2.759 20 0 JFADRO C[C@H]1CCC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001291068193 1063015983 /nfs/dbraw/zinc/01/59/83/1063015983.db2.gz KNCSAXQAJNOPOT-UNMCSNQZSA-N 1 0 459.683 2.803 20 0 JFADRO C[C@@H]1CCC[C@](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)([NH+](C)C)C1 ZINC001291069117 1063017943 /nfs/dbraw/zinc/01/79/43/1063017943.db2.gz XBBMQQAQURQVOX-NLFFAJNJSA-N 1 0 487.718 2.651 20 0 JFADRO CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001287653005 1063024368 /nfs/dbraw/zinc/02/43/68/1063024368.db2.gz GNYQLAFMGCYGJD-LEWJYISDSA-N 1 0 467.680 2.698 20 0 JFADRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001295211669 1063026394 /nfs/dbraw/zinc/02/63/94/1063026394.db2.gz KTXXFWYRGULAQO-JOCHJYFZSA-N 1 0 459.612 2.934 20 0 JFADRO CCN(c1nnc(CC(C)C)n1CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295217282 1063033687 /nfs/dbraw/zinc/03/36/87/1063033687.db2.gz LKIHQQFMMLHOLX-OAQYLSRUSA-N 1 0 460.648 2.802 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693573 1063040756 /nfs/dbraw/zinc/04/07/56/1063040756.db2.gz MXKJLYVKWQJUDE-RDJZCZTQSA-N 1 0 455.360 2.923 20 0 JFADRO CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1)C(C)C ZINC001287706436 1063043531 /nfs/dbraw/zinc/04/35/31/1063043531.db2.gz IMSZEVVCQNTXIH-AWRGLXIESA-N 1 0 498.738 2.992 20 0 JFADRO CC(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001287716191 1063047807 /nfs/dbraw/zinc/04/78/07/1063047807.db2.gz CRFKIZYCVMEAGY-IBGZPJMESA-N 1 0 490.674 2.541 20 0 JFADRO CCN(c1nnc(Cc2cccnc2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295227415 1063049039 /nfs/dbraw/zinc/04/90/39/1063049039.db2.gz GVWBZUZMNQOYIQ-TZIWHRDSSA-N 1 0 460.648 2.542 20 0 JFADRO CCN(c1nnc(Cc2ccccn2)n1CC[C@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295230379 1063053380 /nfs/dbraw/zinc/05/33/80/1063053380.db2.gz XPLCYJJMXIOPQU-PZJWPPBQSA-N 1 0 460.648 2.542 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCn2cc(CO)nn2)C1 ZINC001291095964 1063056245 /nfs/dbraw/zinc/05/62/45/1063056245.db2.gz VXXNVLMPPDBCNM-PMACEKPBSA-N 1 0 458.655 2.841 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096322 1063056770 /nfs/dbraw/zinc/05/67/70/1063056770.db2.gz BWRYXODSLGELMC-VQTJNVASSA-N 1 0 468.712 2.897 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096321 1063056999 /nfs/dbraw/zinc/05/69/99/1063056999.db2.gz BWRYXODSLGELMC-UXHICEINSA-N 1 0 468.712 2.897 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736524 1063059642 /nfs/dbraw/zinc/05/96/42/1063059642.db2.gz ATYJWHNCRUKKIL-WTGUMLROSA-N 1 0 452.669 2.635 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738558 1063061594 /nfs/dbraw/zinc/06/15/94/1063061594.db2.gz PDHSOXZIADQBGC-VQTJNVASSA-N 1 0 467.680 2.554 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738556 1063061630 /nfs/dbraw/zinc/06/16/30/1063061630.db2.gz PDHSOXZIADQBGC-PMACEKPBSA-N 1 0 467.680 2.554 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001291098110 1063061842 /nfs/dbraw/zinc/06/18/42/1063061842.db2.gz IAFKHWWFVIUVDR-ROUUACIJSA-N 1 0 472.556 2.823 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001287739244 1063062165 /nfs/dbraw/zinc/06/21/65/1063062165.db2.gz RMYZLQORDKCQBY-DLBZAZTESA-N 1 0 476.638 2.738 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001291098618 1063062592 /nfs/dbraw/zinc/06/25/92/1063062592.db2.gz RAMUKLJLUAXZEH-KRWDZBQOSA-N 1 0 469.055 2.848 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3)CCOCC2)CC1 ZINC001287740063 1063065148 /nfs/dbraw/zinc/06/51/48/1063065148.db2.gz DHNYXHMNWNOIAV-UHFFFAOYSA-N 1 0 468.646 2.943 20 0 JFADRO C[C@@H]1CCCC[N@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291099475 1063066117 /nfs/dbraw/zinc/06/61/17/1063066117.db2.gz IJKPDRLQZPBMRV-UXHICEINSA-N 1 0 492.665 2.743 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001291100741 1063069401 /nfs/dbraw/zinc/06/94/01/1063069401.db2.gz HCIOXHYASLGGCB-HXUWFJFHSA-N 1 0 470.666 2.884 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291100947 1063069689 /nfs/dbraw/zinc/06/96/89/1063069689.db2.gz KOIGLPZRWCMANA-LWIATZKVSA-N 1 0 476.666 2.700 20 0 JFADRO CCN(c1nnc(COc2cccc(C)c2)n1C[C@@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001295251239 1063070465 /nfs/dbraw/zinc/07/04/65/1063070465.db2.gz XWMUPKVYRALPEC-CVDCTZTESA-N 1 0 493.699 2.616 20 0 JFADRO CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295256587 1063073221 /nfs/dbraw/zinc/07/32/21/1063073221.db2.gz NTNVDWVMTJWUFT-UYAOXDASSA-N 1 0 479.622 2.742 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291101751 1063073789 /nfs/dbraw/zinc/07/37/89/1063073789.db2.gz APPAYPDMBCJGOI-UXHICEINSA-N 1 0 496.722 2.796 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccccn2)CC1 ZINC001287751146 1063076622 /nfs/dbraw/zinc/07/66/22/1063076622.db2.gz PKTKVSUCWZNMNA-UHFFFAOYSA-N 1 0 468.627 2.764 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001287750989 1063076759 /nfs/dbraw/zinc/07/67/59/1063076759.db2.gz DBXQNTJMXGOQIF-UHFFFAOYSA-N 1 0 468.646 2.879 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001291102295 1063076916 /nfs/dbraw/zinc/07/69/16/1063076916.db2.gz KOGGTABDKZANKI-MRXNPFEDSA-N 1 0 474.564 2.739 20 0 JFADRO CCN(c1nnc([C@H]2CCCO2)n1CCC[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001295260449 1063077994 /nfs/dbraw/zinc/07/79/94/1063077994.db2.gz FYZKFQPGIOBIAQ-LEWJYISDSA-N 1 0 461.632 2.665 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291102820 1063078320 /nfs/dbraw/zinc/07/83/20/1063078320.db2.gz TVASCWJJPTVQGC-MOPGFXCFSA-N 1 0 475.663 2.649 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291103368 1063081020 /nfs/dbraw/zinc/08/10/20/1063081020.db2.gz CQRBNYHWFCGWSE-PMACEKPBSA-N 1 0 473.691 2.920 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCS(C)(=O)=O)CC1 ZINC001287753164 1063082070 /nfs/dbraw/zinc/08/20/70/1063082070.db2.gz UNIKFGOQAZRRIS-UHFFFAOYSA-N 1 0 488.029 2.577 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103950 1063082229 /nfs/dbraw/zinc/08/22/29/1063082229.db2.gz MSHUWHUFBUDUAC-VAMGGRTRSA-N 1 0 489.665 2.738 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104179 1063082750 /nfs/dbraw/zinc/08/27/50/1063082750.db2.gz QKDRYKXYXHMALZ-KURKYZTESA-N 1 0 461.636 2.571 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104180 1063083004 /nfs/dbraw/zinc/08/30/04/1063083004.db2.gz QKDRYKXYXHMALZ-KZNAEPCWSA-N 1 0 461.636 2.571 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001291104346 1063084188 /nfs/dbraw/zinc/08/41/88/1063084188.db2.gz SKUKYGOUHOHFHB-NJYVYQBISA-N 1 0 496.660 2.787 20 0 JFADRO C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104888 1063084843 /nfs/dbraw/zinc/08/48/43/1063084843.db2.gz BJXSOJWPVXXPPX-MSOLQXFVSA-N 1 0 473.647 2.532 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCC[NH+]2CCCC2)[C@H](C)C1=O ZINC001287759703 1063085933 /nfs/dbraw/zinc/08/59/33/1063085933.db2.gz DWZSRNRDWNQPOM-HXUWFJFHSA-N 1 0 456.639 2.638 20 0 JFADRO CCN(C1CCN(c2nnc(C(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295267348 1063086706 /nfs/dbraw/zinc/08/67/06/1063086706.db2.gz UIXPLZGJRBQKHU-RBUKOAKNSA-N 1 0 454.685 2.772 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1=O ZINC001287761458 1063087320 /nfs/dbraw/zinc/08/73/20/1063087320.db2.gz KZIJTRJCRQBFQD-FQEVSTJZSA-N 1 0 462.602 2.560 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2CCC[C@H]21)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105415 1063087508 /nfs/dbraw/zinc/08/75/08/1063087508.db2.gz JBSJIXBMYOKHBZ-SWBPCFCJSA-N 1 0 452.669 2.778 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCCC[NH+]2CCC(C)CC2)[C@H](C)C1=O ZINC001287763076 1063089333 /nfs/dbraw/zinc/08/93/33/1063089333.db2.gz 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CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001295323443 1063206784 /nfs/dbraw/zinc/20/67/84/1063206784.db2.gz FPLQZPTXZKECRE-NHCUHLMSSA-N 1 0 476.666 2.510 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140476 1063208689 /nfs/dbraw/zinc/20/86/89/1063208689.db2.gz ZFURNDJGBDIEOO-QZTJIDSGSA-N 1 0 450.628 2.790 20 0 JFADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC001291140523 1063209491 /nfs/dbraw/zinc/20/94/91/1063209491.db2.gz ACRBIKJAXPAQGP-RTBURBONSA-N 1 0 460.648 2.571 20 0 JFADRO CC(C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140587 1063209913 /nfs/dbraw/zinc/20/99/13/1063209913.db2.gz ASKSWHHVMUIUDY-HXUWFJFHSA-N 1 0 453.635 2.947 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(F)cc2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140579 1063209930 /nfs/dbraw/zinc/20/99/30/1063209930.db2.gz AMLIOYAUYALPLG-ZWKOTPCHSA-N 1 0 466.627 2.784 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291140620 1063210288 /nfs/dbraw/zinc/21/02/88/1063210288.db2.gz BCOFRZBSZONLCX-AABGKKOBSA-N 1 0 490.674 2.796 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001291140604 1063210451 /nfs/dbraw/zinc/21/04/51/1063210451.db2.gz AWMJRNIFPCCHDT-HSALFYBXSA-N 1 0 454.685 2.881 20 0 JFADRO CC(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140838 1063211259 /nfs/dbraw/zinc/21/12/59/1063211259.db2.gz FMQZRKGIRBGJNF-JOCHJYFZSA-N 1 0 459.683 2.656 20 0 JFADRO CCN(CC)C(=O)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001295325868 1063212000 /nfs/dbraw/zinc/21/20/00/1063212000.db2.gz VAJUZWHMQOINTE-RTBURBONSA-N 1 0 487.674 2.591 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1cccc(O)c1)[NH+]1CCC(C)CC1 ZINC001291141526 1063215752 /nfs/dbraw/zinc/21/57/52/1063215752.db2.gz PGXZPMQACPETPU-CEXWTWQISA-N 1 0 478.663 2.912 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141700 1063216621 /nfs/dbraw/zinc/21/66/21/1063216621.db2.gz RKUXUCMITOIJRD-VQTJNVASSA-N 1 0 470.618 2.813 20 0 JFADRO C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291142434 1063219583 /nfs/dbraw/zinc/21/95/83/1063219583.db2.gz DUQOKTSZBZNGJX-KRWDZBQOSA-N 1 0 496.582 2.694 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142286 1063219628 /nfs/dbraw/zinc/21/96/28/1063219628.db2.gz BFIRXWXGUVFVBB-RYRKJORJSA-N 1 0 455.529 2.955 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291143352 1063221703 /nfs/dbraw/zinc/22/17/03/1063221703.db2.gz VNCABERBFFZRLC-PMACEKPBSA-N 1 0 464.618 2.951 20 0 JFADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291144371 1063225466 /nfs/dbraw/zinc/22/54/66/1063225466.db2.gz NLHFLMMMKHBLMD-LJQANCHMSA-N 1 0 468.712 2.753 20 0 JFADRO C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291144438 1063225564 /nfs/dbraw/zinc/22/55/64/1063225564.db2.gz OHATWTPOPRDUPQ-JOCHJYFZSA-N 1 0 488.702 2.655 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC[N@@H+]1Cc1ccccc1 ZINC001291145920 1063229551 /nfs/dbraw/zinc/22/95/51/1063229551.db2.gz SDHWMSNSSVBEJI-NRFANRHFSA-N 1 0 486.686 2.731 20 0 JFADRO C[C@H](Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C)CC1 ZINC001291145846 1063229729 /nfs/dbraw/zinc/22/97/29/1063229729.db2.gz RJYYFTMFNNXEDU-GOSISDBHSA-N 1 0 486.646 2.793 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295330570 1063230850 /nfs/dbraw/zinc/23/08/50/1063230850.db2.gz ZNVGWQJAGFWODX-OAQYLSRUSA-N 1 0 461.699 2.831 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001291146526 1063230893 /nfs/dbraw/zinc/23/08/93/1063230893.db2.gz GMDWEWUZZPUMMH-PXNSSMCTSA-N 1 0 461.010 2.555 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001291147044 1063232722 /nfs/dbraw/zinc/23/27/22/1063232722.db2.gz PRTQGNPXQZAVQO-RXVVDRJESA-N 1 0 475.037 2.945 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295334250 1063236186 /nfs/dbraw/zinc/23/61/86/1063236186.db2.gz ITDAUOPVOSJNKR-UHFFFAOYSA-N 1 0 461.699 2.904 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295334306 1063237166 /nfs/dbraw/zinc/23/71/66/1063237166.db2.gz KBMUAIDBYPKZHR-JOCHJYFZSA-N 1 0 475.726 2.979 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295334683 1063242465 /nfs/dbraw/zinc/24/24/65/1063242465.db2.gz SHBANJABNVDECJ-QHCPKHFHSA-N 1 0 473.710 2.732 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291158545 1063244964 /nfs/dbraw/zinc/24/49/64/1063244964.db2.gz XYWZKJJSYBQYQX-HXUWFJFHSA-N 1 0 468.627 2.876 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001291167424 1063256063 /nfs/dbraw/zinc/25/60/63/1063256063.db2.gz PKJJWBOVQHOQAY-BHIFYINESA-N 1 0 496.722 2.750 20 0 JFADRO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001291171751 1063260434 /nfs/dbraw/zinc/26/04/34/1063260434.db2.gz QFUCIVYNLJJVTM-URVUXULASA-N 1 0 453.635 2.689 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001295337796 1063264267 /nfs/dbraw/zinc/26/42/67/1063264267.db2.gz IFMYZPHTYSGISE-UHFFFAOYSA-N 1 0 496.704 2.903 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295337835 1063264368 /nfs/dbraw/zinc/26/43/68/1063264368.db2.gz KAOGOGUJCLUWLZ-UHFFFAOYSA-N 1 0 461.699 2.732 20 0 JFADRO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001291177286 1063264928 /nfs/dbraw/zinc/26/49/28/1063264928.db2.gz PYWLTCAYUKUPFZ-QUCCMNQESA-N 1 0 458.582 2.785 20 0 JFADRO C[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291177284 1063265053 /nfs/dbraw/zinc/26/50/53/1063265053.db2.gz PYWLTCAYUKUPFZ-AZUAARDMSA-N 1 0 458.582 2.785 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CCCS3(=O)=O)C2)CC1 ZINC001291179788 1063269431 /nfs/dbraw/zinc/26/94/31/1063269431.db2.gz MQOFRXXMFBDGGB-OAQYLSRUSA-N 1 0 480.723 2.851 20 0 JFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342264 1063269741 /nfs/dbraw/zinc/26/97/41/1063269741.db2.gz JCNKUQDZGLGNPH-BXKMTCNYSA-N 1 0 457.575 2.879 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc([C@H]4CCCCO4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001291180013 1063270320 /nfs/dbraw/zinc/27/03/20/1063270320.db2.gz RMMVBQQBPUMHAI-NHCUHLMSSA-N 1 0 467.680 2.903 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCCOC1CCOCC1 ZINC001291180092 1063270794 /nfs/dbraw/zinc/27/07/94/1063270794.db2.gz UDBUFKVFZVEYAL-JOCHJYFZSA-N 1 0 490.693 2.950 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CC3(C(N)=O)CCOCC3)C2)CC1 ZINC001291180139 1063271041 /nfs/dbraw/zinc/27/10/41/1063271041.db2.gz UYSLWXLXTLLSGA-FQEVSTJZSA-N 1 0 460.667 2.806 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180229 1063271876 /nfs/dbraw/zinc/27/18/76/1063271876.db2.gz XFNFPGSHIBYDOW-ROUUACIJSA-N 1 0 476.638 2.882 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@H]2C)CC1 ZINC001291180395 1063272544 /nfs/dbraw/zinc/27/25/44/1063272544.db2.gz ASANVKKTVRLENW-RTBURBONSA-N 1 0 455.694 2.634 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001291180791 1063273593 /nfs/dbraw/zinc/27/35/93/1063273593.db2.gz NCYFAODBRWABBI-UHFFFAOYSA-N 1 0 462.602 2.983 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001291181157 1063274078 /nfs/dbraw/zinc/27/40/78/1063274078.db2.gz ZFYMRHGZEMFSEN-VQTJNVASSA-N 1 0 467.680 2.696 20 0 JFADRO CC1CC[NH+](CCCCn2c(N3CCN(C(=O)[C@H]4CCCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001291181503 1063275219 /nfs/dbraw/zinc/27/52/19/1063275219.db2.gz JQGIFRVANANDBX-OAQYLSRUSA-N 1 0 460.667 2.915 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181817 1063276294 /nfs/dbraw/zinc/27/62/94/1063276294.db2.gz TUOVPHIXGSXKFA-IBGZPJMESA-N 1 0 458.582 2.958 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291181729 1063276402 /nfs/dbraw/zinc/27/64/02/1063276402.db2.gz QKTVHXAIDONQCJ-VAMGGRTRSA-N 1 0 455.669 2.900 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001291182344 1063277406 /nfs/dbraw/zinc/27/74/06/1063277406.db2.gz KRTSCRADLINELM-GOSISDBHSA-N 1 0 466.556 2.930 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001291182397 1063278031 /nfs/dbraw/zinc/27/80/31/1063278031.db2.gz LXBBDQBXKZBWPG-LJQANCHMSA-N 1 0 486.583 2.799 20 0 JFADRO CC1CC[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001291182774 1063278623 /nfs/dbraw/zinc/27/86/23/1063278623.db2.gz XGJMPJJLOZZJSE-UHFFFAOYSA-N 1 0 490.599 2.564 20 0 JFADRO CC1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001291183078 1063279671 /nfs/dbraw/zinc/27/96/71/1063279671.db2.gz FOZZMDUFURQZHO-UHFFFAOYSA-N 1 0 488.702 2.703 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CC[NH+]1CCC(C)CC1 ZINC001291183929 1063281601 /nfs/dbraw/zinc/28/16/01/1063281601.db2.gz JOHCGASAFMTJSV-OAHLLOKOSA-N 1 0 488.580 2.674 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291184009 1063281928 /nfs/dbraw/zinc/28/19/28/1063281928.db2.gz MHUKXQRCXBNWNH-OALUTQOASA-N 1 0 460.648 2.744 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccn3C)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC001291184597 1063283625 /nfs/dbraw/zinc/28/36/25/1063283625.db2.gz FHZVFOZWMAMREJ-UHFFFAOYSA-N 1 0 481.567 2.910 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CCC(C(=O)NCC(F)(F)F)CC2)CC1 ZINC001291184787 1063284077 /nfs/dbraw/zinc/28/40/77/1063284077.db2.gz KJQASJPEPIDOKB-UHFFFAOYSA-N 1 0 467.540 2.900 20 0 JFADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001291184618 1063284097 /nfs/dbraw/zinc/28/40/97/1063284097.db2.gz FZTMNRKGFZZWDV-UHFFFAOYSA-N 1 0 454.623 2.550 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001291184600 1063284203 /nfs/dbraw/zinc/28/42/03/1063284203.db2.gz FJHQEBBLSDXIIO-LJQANCHMSA-N 1 0 454.623 2.598 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001291185528 1063285843 /nfs/dbraw/zinc/28/58/43/1063285843.db2.gz HUGLBIVCXFLSDU-GOSISDBHSA-N 1 0 479.551 2.501 20 0 JFADRO C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[NH+]1CCC(C)CC1 ZINC001291185686 1063286310 /nfs/dbraw/zinc/28/63/10/1063286310.db2.gz LZUSEJKYPSBJDR-HXUWFJFHSA-N 1 0 497.669 2.841 20 0 JFADRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccccn2)n1CC[NH+]1CCC(C)CC1 ZINC001291185685 1063286376 /nfs/dbraw/zinc/28/63/76/1063286376.db2.gz LZUSEJKYPSBJDR-FQEVSTJZSA-N 1 0 497.669 2.841 20 0 JFADRO CC(C)OC[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001291185817 1063286934 /nfs/dbraw/zinc/28/69/34/1063286934.db2.gz QNECABSKOAQEPL-RCZVLFRGSA-N 1 0 479.666 2.681 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001291185928 1063287485 /nfs/dbraw/zinc/28/74/85/1063287485.db2.gz UNSZMCFCFQBKAV-HSZRJFAPSA-N 1 0 467.662 2.984 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC001291185885 1063287595 /nfs/dbraw/zinc/28/75/95/1063287595.db2.gz SFUNFNFJMIQZGO-UHFFFAOYSA-N 1 0 469.678 2.790 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001295348283 1063291102 /nfs/dbraw/zinc/29/11/02/1063291102.db2.gz OIAKNZWEXGVCGB-UHFFFAOYSA-N 1 0 463.030 2.918 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291186550 1063291458 /nfs/dbraw/zinc/29/14/58/1063291458.db2.gz GNIVSNGHVZYRIP-KBPBESRZSA-N 1 0 497.463 2.593 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291186658 1063291808 /nfs/dbraw/zinc/29/18/08/1063291808.db2.gz INMXITCBJLKWFR-SVFBPWRDSA-N 1 0 476.666 2.889 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291186693 1063291924 /nfs/dbraw/zinc/29/19/24/1063291924.db2.gz IZLRQTJIOWWVFU-CALCHBBNSA-N 1 0 491.591 2.664 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291186746 1063292708 /nfs/dbraw/zinc/29/27/08/1063292708.db2.gz JOCYTFLGPGUBJK-VWPQPMDRSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001291187363 1063295527 /nfs/dbraw/zinc/29/55/27/1063295527.db2.gz SYWSXIZGNVCAMH-QZTJIDSGSA-N 1 0 457.623 2.579 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295350575 1063295594 /nfs/dbraw/zinc/29/55/94/1063295594.db2.gz FSIUJELGFGLWHR-FGZHOGPDSA-N 1 0 475.682 2.878 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187704 1063297519 /nfs/dbraw/zinc/29/75/19/1063297519.db2.gz YFUFARHZYLGFGX-GUDVDZBRSA-N 1 0 484.711 2.793 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCO[C@@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291187955 1063298835 /nfs/dbraw/zinc/29/88/35/1063298835.db2.gz BPOCXJXYWCHRQW-WSTZPKSXSA-N 1 0 459.639 2.775 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCO[C@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291187953 1063299221 /nfs/dbraw/zinc/29/92/21/1063299221.db2.gz BPOCXJXYWCHRQW-NSHGMRRFSA-N 1 0 459.639 2.775 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001291188185 1063301571 /nfs/dbraw/zinc/30/15/71/1063301571.db2.gz GMJRTQWUMMAOPY-OALUTQOASA-N 1 0 450.591 2.578 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291188289 1063302248 /nfs/dbraw/zinc/30/22/48/1063302248.db2.gz HVEKCBXZOQVLHU-SVFBPWRDSA-N 1 0 476.666 2.712 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccsc2)C[C@H](C)O1 ZINC001291188858 1063305233 /nfs/dbraw/zinc/30/52/33/1063305233.db2.gz RTNNHGWQDACJQM-HDICACEKSA-N 1 0 460.648 2.986 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCS1 ZINC001291189195 1063307262 /nfs/dbraw/zinc/30/72/62/1063307262.db2.gz XBSHWVITXISKAT-AQNXPRMDSA-N 1 0 478.707 2.866 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccccc1 ZINC001291189622 1063311146 /nfs/dbraw/zinc/31/11/46/1063311146.db2.gz FBEHDQSWYOIJMB-QGZVFWFLSA-N 1 0 453.978 2.792 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001295357538 1063313073 /nfs/dbraw/zinc/31/30/73/1063313073.db2.gz AAHQQRNZTCUYIJ-PMACEKPBSA-N 1 0 492.632 2.551 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001295357616 1063313578 /nfs/dbraw/zinc/31/35/78/1063313578.db2.gz BIGFZMXRMLEYSW-QZTJIDSGSA-N 1 0 484.630 2.999 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295358019 1063314049 /nfs/dbraw/zinc/31/40/49/1063314049.db2.gz FOEBNGLBAHVELU-ROUUACIJSA-N 1 0 465.643 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001295358889 1063316237 /nfs/dbraw/zinc/31/62/37/1063316237.db2.gz PPTBPVKXGFGSHS-KOSHJBKYSA-N 1 0 477.053 2.984 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001291190604 1063316447 /nfs/dbraw/zinc/31/64/47/1063316447.db2.gz ZZTWKYOCVFGEEJ-KDOFPFPSSA-N 1 0 461.408 2.715 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001295358977 1063316907 /nfs/dbraw/zinc/31/69/07/1063316907.db2.gz SOYJTDWFVQMOPU-IBGZPJMESA-N 1 0 499.635 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295358982 1063317316 /nfs/dbraw/zinc/31/73/16/1063317316.db2.gz SRYKXLCEHRRHER-MSOLQXFVSA-N 1 0 486.621 2.759 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001291191784 1063317400 /nfs/dbraw/zinc/31/74/00/1063317400.db2.gz YJOOAKVDWJZIBO-OAHLLOKOSA-N 1 0 461.408 2.859 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001295359040 1063318350 /nfs/dbraw/zinc/31/83/50/1063318350.db2.gz UDBZFROUNZFANE-WMZOPIPTSA-N 1 0 477.009 2.591 20 0 JFADRO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295359035 1063318395 /nfs/dbraw/zinc/31/83/95/1063318395.db2.gz UCDJMYCLNIPGNM-TZIWHRDSSA-N 1 0 490.674 2.891 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CCCCO2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001291192173 1063318645 /nfs/dbraw/zinc/31/86/45/1063318645.db2.gz GAGOBCGEWQDESO-DENIHFKCSA-N 1 0 470.618 2.565 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001295362600 1063323110 /nfs/dbraw/zinc/32/31/10/1063323110.db2.gz QJAYMNANYKHYNM-CABCVRRESA-N 1 0 466.428 2.858 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295363173 1063323780 /nfs/dbraw/zinc/32/37/80/1063323780.db2.gz AIYXIROZTOXWDQ-XDHUDOTRSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295364141 1063326058 /nfs/dbraw/zinc/32/60/58/1063326058.db2.gz FCCWSNDGCZNHBN-KSSFIOAISA-N 1 0 497.413 2.528 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NC)CC1 ZINC001295364724 1063326394 /nfs/dbraw/zinc/32/63/94/1063326394.db2.gz HDQFZRUAJYHHGN-MRXNPFEDSA-N 1 0 478.439 2.899 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 ZINC001295364705 1063326492 /nfs/dbraw/zinc/32/64/92/1063326492.db2.gz GSBVEIUVEAFSEX-KRWDZBQOSA-N 1 0 460.579 2.581 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001295364435 1063326539 /nfs/dbraw/zinc/32/65/39/1063326539.db2.gz ZANGYJOTOUWORY-SFHLNBCPSA-N 1 0 462.664 2.921 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295365545 1063327610 /nfs/dbraw/zinc/32/76/10/1063327610.db2.gz JPHLCJUFCOHLTA-AEFFLSMTSA-N 1 0 476.025 2.893 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295365547 1063328325 /nfs/dbraw/zinc/32/83/25/1063328325.db2.gz JPHLCJUFCOHLTA-SJLPKXTDSA-N 1 0 476.025 2.893 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295365635 1063328745 /nfs/dbraw/zinc/32/87/45/1063328745.db2.gz IAGXLJJKCAQQIN-KSSFIOAISA-N 1 0 469.417 2.933 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295365826 1063328884 /nfs/dbraw/zinc/32/88/84/1063328884.db2.gz MNSNEKQWKCKOFT-QGZVFWFLSA-N 1 0 458.014 2.784 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001295367795 1063332983 /nfs/dbraw/zinc/33/29/83/1063332983.db2.gz ZSMFAZISLJIPPT-GOSISDBHSA-N 1 0 498.607 2.948 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001295369287 1063334293 /nfs/dbraw/zinc/33/42/93/1063334293.db2.gz CHHUAHPEHIKIJJ-JOCHJYFZSA-N 1 0 482.677 2.595 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195919 1063335788 /nfs/dbraw/zinc/33/57/88/1063335788.db2.gz ANXYNNDLTMFEPC-ZWKOTPCHSA-N 1 0 485.599 2.707 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291196334 1063338327 /nfs/dbraw/zinc/33/83/27/1063338327.db2.gz JFGHYNAPJFACJM-IBGZPJMESA-N 1 0 489.665 2.740 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001295372764 1063339479 /nfs/dbraw/zinc/33/94/79/1063339479.db2.gz HRWBAJKQWHOUQL-RTBURBONSA-N 1 0 494.644 2.633 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001295373298 1063341045 /nfs/dbraw/zinc/34/10/45/1063341045.db2.gz MARVKISBLLLCIG-HXUWFJFHSA-N 1 0 485.658 2.823 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295373673 1063341954 /nfs/dbraw/zinc/34/19/54/1063341954.db2.gz RSONWXFTLOEEDO-RTWAWAEBSA-N 1 0 468.650 2.961 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295373672 1063342101 /nfs/dbraw/zinc/34/21/01/1063342101.db2.gz RSONWXFTLOEEDO-NHCUHLMSSA-N 1 0 468.650 2.961 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001295376058 1063344136 /nfs/dbraw/zinc/34/41/36/1063344136.db2.gz IROFFEYGGQGLOY-DLBZAZTESA-N 1 0 464.552 2.925 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001295376168 1063344670 /nfs/dbraw/zinc/34/46/70/1063344670.db2.gz KAYYPIHKBAYUKS-OXQOHEQNSA-N 1 0 461.561 2.564 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001295376424 1063345193 /nfs/dbraw/zinc/34/51/93/1063345193.db2.gz MGNYYLVILYRVQA-XLIONFOSSA-N 1 0 488.036 2.575 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001295376723 1063345655 /nfs/dbraw/zinc/34/56/55/1063345655.db2.gz PITFQXHXSVLSIW-NJDAHSKKSA-N 1 0 494.681 2.975 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001295376909 1063346431 /nfs/dbraw/zinc/34/64/31/1063346431.db2.gz QKQVAGFFABEICC-VAMGGRTRSA-N 1 0 456.639 2.796 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001295378591 1063348544 /nfs/dbraw/zinc/34/85/44/1063348544.db2.gz GXCGQPXSXHXFHE-UNMCSNQZSA-N 1 0 486.636 2.933 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCCC2)CCN1CC(F)(F)F ZINC001291198445 1063348778 /nfs/dbraw/zinc/34/87/78/1063348778.db2.gz WZWTUWVORFCSAG-SFHVURJKSA-N 1 0 494.566 2.874 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001295378807 1063349169 /nfs/dbraw/zinc/34/91/69/1063349169.db2.gz KFEDIIRCZKHKQM-KNQAVFIVSA-N 1 0 492.665 2.743 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001295378708 1063349282 /nfs/dbraw/zinc/34/92/82/1063349282.db2.gz JAKAUCVAZKFIEE-SLYNCCJLSA-N 1 0 479.622 2.628 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001295379226 1063349920 /nfs/dbraw/zinc/34/99/20/1063349920.db2.gz LKYQJQMXRGPPJL-BPQIPLTHSA-N 1 0 459.607 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 ZINC001295379251 1063350424 /nfs/dbraw/zinc/35/04/24/1063350424.db2.gz LPGUTBVHKKJZIO-VAMGGRTRSA-N 1 0 480.654 2.790 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379519 1063351284 /nfs/dbraw/zinc/35/12/84/1063351284.db2.gz MJYBHCFMUOYBRW-RTBURBONSA-N 1 0 467.680 2.839 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001295381253 1063353701 /nfs/dbraw/zinc/35/37/01/1063353701.db2.gz UKFLKYUGGLJGEW-LJQANCHMSA-N 1 0 482.608 2.864 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001295380896 1063353802 /nfs/dbraw/zinc/35/38/02/1063353802.db2.gz RYMXFVSXQJOTDJ-CRICUBBOSA-N 1 0 485.608 2.553 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001295383768 1063357109 /nfs/dbraw/zinc/35/71/09/1063357109.db2.gz COVVZGJLULBFBH-RBUKOAKNSA-N 1 0 490.674 2.774 20 0 JFADRO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001295383931 1063357877 /nfs/dbraw/zinc/35/78/77/1063357877.db2.gz FYDRBFZTINAPJT-TYPHKJRUSA-N 1 0 458.603 2.654 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295386493 1063362817 /nfs/dbraw/zinc/36/28/17/1063362817.db2.gz BAOZNKXGFWUVBQ-UNMCSNQZSA-N 1 0 468.650 2.576 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001295386670 1063363416 /nfs/dbraw/zinc/36/34/16/1063363416.db2.gz VRWPNTCOKUZCGI-HXUWFJFHSA-N 1 0 469.634 2.890 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295387575 1063364664 /nfs/dbraw/zinc/36/46/64/1063364664.db2.gz GGLSECCOHYPKBE-UYAOXDASSA-N 1 0 463.648 2.621 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001291205762 1063365286 /nfs/dbraw/zinc/36/52/86/1063365286.db2.gz NOHDCULRIQQBLI-OALUTQOASA-N 1 0 492.690 2.749 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001295388805 1063365960 /nfs/dbraw/zinc/36/59/60/1063365960.db2.gz KGTKCEYUASJBMQ-IFMALSPDSA-N 1 0 463.634 2.889 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295389084 1063366420 /nfs/dbraw/zinc/36/64/20/1063366420.db2.gz BFIPHFMDDDVSGA-IEBWSBKVSA-N 1 0 476.025 2.797 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295389085 1063366567 /nfs/dbraw/zinc/36/65/67/1063366567.db2.gz BFIPHFMDDDVSGA-MJGOQNOKSA-N 1 0 476.025 2.797 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001295389621 1063366609 /nfs/dbraw/zinc/36/66/09/1063366609.db2.gz FDEVFAIJEKLTID-KNQAVFIVSA-N 1 0 488.608 2.554 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001295390132 1063368773 /nfs/dbraw/zinc/36/87/73/1063368773.db2.gz PUHBWXJLGBMMLJ-FQEVSTJZSA-N 1 0 457.623 2.909 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 ZINC001295390201 1063368870 /nfs/dbraw/zinc/36/88/70/1063368870.db2.gz LIHPQSQBDMKFKD-IPMKNSEASA-N 1 0 450.628 2.815 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001291206479 1063369382 /nfs/dbraw/zinc/36/93/82/1063369382.db2.gz XALISGXRSNBXAQ-QZTJIDSGSA-N 1 0 454.685 2.881 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291206618 1063370046 /nfs/dbraw/zinc/37/00/46/1063370046.db2.gz ZCQTTWFMBPZOID-DLBZAZTESA-N 1 0 452.669 2.635 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390648 1063370731 /nfs/dbraw/zinc/37/07/31/1063370731.db2.gz RVMXZOPDNBEKLD-GHTZIAJQSA-N 1 0 476.588 2.733 20 0 JFADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C ZINC001291207040 1063372926 /nfs/dbraw/zinc/37/29/26/1063372926.db2.gz FKWALYNZXNIWQB-RBUKOAKNSA-N 1 0 478.663 2.795 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001295391113 1063373604 /nfs/dbraw/zinc/37/36/04/1063373604.db2.gz UZPOEPUZZLQGEF-UMEGOILYSA-N 1 0 473.618 2.980 20 0 JFADRO CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295391128 1063373803 /nfs/dbraw/zinc/37/38/03/1063373803.db2.gz VFIDSVYVSHUKPH-MTQWCTHYSA-N 1 0 469.696 2.940 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295391978 1063376518 /nfs/dbraw/zinc/37/65/18/1063376518.db2.gz ZUGRBOBOPSJPEW-YLJYHZDGSA-N 1 0 467.611 2.740 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O)c1ccco1 ZINC001295392685 1063377805 /nfs/dbraw/zinc/37/78/05/1063377805.db2.gz MMWYQDRYXMBJML-HXUWFJFHSA-N 1 0 450.543 2.995 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001295393342 1063379549 /nfs/dbraw/zinc/37/95/49/1063379549.db2.gz QAZIRUMKFVMWBY-YOUFYPILSA-N 1 0 478.663 2.585 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295397404 1063383794 /nfs/dbraw/zinc/38/37/94/1063383794.db2.gz MSLPILSVICQDMZ-QHAWAJNXSA-N 1 0 467.570 2.981 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)c1ccco1 ZINC001295400209 1063386217 /nfs/dbraw/zinc/38/62/17/1063386217.db2.gz ZOMSADBENUXLAT-JOCHJYFZSA-N 1 0 471.650 2.834 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1)c1ccsc1 ZINC001295399407 1063386250 /nfs/dbraw/zinc/38/62/50/1063386250.db2.gz HWMCQDYGZKFXOC-FQEVSTJZSA-N 1 0 470.647 2.915 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccsc1 ZINC001295402120 1063386852 /nfs/dbraw/zinc/38/68/52/1063386852.db2.gz SNQNWJATVRACHS-FGZHOGPDSA-N 1 0 483.642 2.826 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001295400789 1063387022 /nfs/dbraw/zinc/38/70/22/1063387022.db2.gz NLYJSGAXBFGGCB-PMACEKPBSA-N 1 0 469.634 2.663 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccsc1 ZINC001295402122 1063387485 /nfs/dbraw/zinc/38/74/85/1063387485.db2.gz SNQNWJATVRACHS-YADHBBJMSA-N 1 0 483.642 2.826 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001295403588 1063388097 /nfs/dbraw/zinc/38/80/97/1063388097.db2.gz GBJNDMXFGNCVQW-XJUOHMSHSA-N 1 0 488.633 2.737 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1)c1ccco1 ZINC001295403097 1063388330 /nfs/dbraw/zinc/38/83/30/1063388330.db2.gz BZBRRLUDAXUOJY-LJQANCHMSA-N 1 0 499.641 2.614 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 ZINC001295403988 1063389586 /nfs/dbraw/zinc/38/95/86/1063389586.db2.gz BKMPJBPZBXVJQV-BKSPAHHJSA-N 1 0 454.619 2.957 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001295404002 1063389641 /nfs/dbraw/zinc/38/96/41/1063389641.db2.gz HOPCIGJKJOWLPV-HXUWFJFHSA-N 1 0 462.664 2.740 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001295404259 1063390215 /nfs/dbraw/zinc/39/02/15/1063390215.db2.gz IZGXZKPMVXYUEB-MXKPZRPRSA-N 1 0 490.674 2.814 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001295404263 1063390357 /nfs/dbraw/zinc/39/03/57/1063390357.db2.gz IZGXZKPMVXYUEB-RUOSDFBUSA-N 1 0 490.674 2.814 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405225 1063392971 /nfs/dbraw/zinc/39/29/71/1063392971.db2.gz FVJFPTNRUAUVBP-TZIWHRDSSA-N 1 0 458.607 2.905 20 0 JFADRO CCN(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001295406767 1063396451 /nfs/dbraw/zinc/39/64/51/1063396451.db2.gz LRKRPKUNZZRACN-DFQSSKMNSA-N 1 0 481.688 2.940 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211726 1063396392 /nfs/dbraw/zinc/39/63/92/1063396392.db2.gz ZUZQNRCLBIEQMD-MAUKXSAKSA-N 1 0 492.466 2.833 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCSC2)CC1 ZINC001295466876 1063472746 /nfs/dbraw/zinc/47/27/46/1063472746.db2.gz YUDBXXSUORQULF-QHCPKHFHSA-N 1 0 493.699 2.527 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001295471863 1063476953 /nfs/dbraw/zinc/47/69/53/1063476953.db2.gz NTLRCQOMFGRYDN-HYBUGGRVSA-N 1 0 458.582 2.587 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 ZINC001295472625 1063477629 /nfs/dbraw/zinc/47/76/29/1063477629.db2.gz LCOBFJQHNPBUIN-HXUWFJFHSA-N 1 0 470.618 2.531 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 ZINC001295473876 1063479413 /nfs/dbraw/zinc/47/94/13/1063479413.db2.gz WRNHYTWSVLKSOL-GOSISDBHSA-N 1 0 479.622 2.709 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(F)c2)CC1 ZINC001295473877 1063479511 /nfs/dbraw/zinc/47/95/11/1063479511.db2.gz WRNHYTWSVLKSOL-SFHVURJKSA-N 1 0 479.622 2.709 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001295474736 1063482267 /nfs/dbraw/zinc/48/22/67/1063482267.db2.gz GHEIKCHEXPDASE-SFHVURJKSA-N 1 0 479.622 2.742 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CSCCS2)CC1 ZINC001295475370 1063484694 /nfs/dbraw/zinc/48/46/94/1063484694.db2.gz UJNAMMZHMZEUSG-GOSISDBHSA-N 1 0 452.694 2.560 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001295479567 1063487586 /nfs/dbraw/zinc/48/75/86/1063487586.db2.gz FDUCGYWHODRXNE-FQEVSTJZSA-N 1 0 493.697 2.941 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2C[C@H]2C)CC1 ZINC001295480369 1063490506 /nfs/dbraw/zinc/49/05/06/1063490506.db2.gz LKPCJVYZJKNAPZ-IAGOWNOFSA-N 1 0 492.466 2.693 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291232749 1063492031 /nfs/dbraw/zinc/49/20/31/1063492031.db2.gz SCDVWGVTAZVANX-PKOBYXMFSA-N 1 0 473.647 2.738 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCc2sc(C)nc2C)CC1 ZINC001295481809 1063493590 /nfs/dbraw/zinc/49/35/90/1063493590.db2.gz AMMZLGILHZFCMV-UHFFFAOYSA-N 1 0 482.658 2.647 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(F)c2)CC1 ZINC001295481796 1063493704 /nfs/dbraw/zinc/49/37/04/1063493704.db2.gz ADWVFCSREFTWIH-UHFFFAOYSA-N 1 0 467.593 2.656 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(SC)CC2)CC1 ZINC001295481947 1063495713 /nfs/dbraw/zinc/49/57/13/1063495713.db2.gz CIMLJWHOHJWEJF-UHFFFAOYSA-N 1 0 472.659 2.840 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291234769 1063496834 /nfs/dbraw/zinc/49/68/34/1063496834.db2.gz BSZVELMETUQBJH-MJGOQNOKSA-N 1 0 472.638 2.902 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCSC2)CC1 ZINC001295482197 1063496993 /nfs/dbraw/zinc/49/69/93/1063496993.db2.gz FWLJRAAUPUXWGC-QGZVFWFLSA-N 1 0 478.066 2.737 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC=CO2)CC1 ZINC001295482374 1063501014 /nfs/dbraw/zinc/50/10/14/1063501014.db2.gz LWTUFBMDDPMKAS-QFIPXVFZSA-N 1 0 468.602 2.637 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCCO1 ZINC001291236323 1063501143 /nfs/dbraw/zinc/50/11/43/1063501143.db2.gz CKKIUECDQGBLHZ-LJQANCHMSA-N 1 0 451.575 2.729 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001291236958 1063501445 /nfs/dbraw/zinc/50/14/45/1063501445.db2.gz OISPHCHFHDVGPP-QGZVFWFLSA-N 1 0 458.611 2.769 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237119 1063502026 /nfs/dbraw/zinc/50/20/26/1063502026.db2.gz RMQCUHFHIMSJTH-PKOBYXMFSA-N 1 0 470.622 2.959 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237463 1063502947 /nfs/dbraw/zinc/50/29/47/1063502947.db2.gz XNWMFDIHLKHAAD-FUHWJXTLSA-N 1 0 466.556 2.928 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237464 1063503133 /nfs/dbraw/zinc/50/31/33/1063503133.db2.gz XNWMFDIHLKHAAD-SJLPKXTDSA-N 1 0 466.556 2.928 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2C[C@H]2C)CC1 ZINC001295482719 1063504940 /nfs/dbraw/zinc/50/49/40/1063504940.db2.gz YJEONSHAEINALY-RTBURBONSA-N 1 0 470.618 2.609 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)c2nc(C)cs2)CC1 ZINC001295482739 1063505604 /nfs/dbraw/zinc/50/56/04/1063505604.db2.gz YYQMSPCFCDGFCV-SFHVURJKSA-N 1 0 484.674 2.843 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291238126 1063505687 /nfs/dbraw/zinc/50/56/87/1063505687.db2.gz KBUDGMAPXCVHGU-WMZOPIPTSA-N 1 0 489.621 2.695 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1 ZINC001291238140 1063505766 /nfs/dbraw/zinc/50/57/66/1063505766.db2.gz KHVWJKKRYOQAKL-INIZCTEOSA-N 1 0 451.666 2.520 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001295483480 1063507822 /nfs/dbraw/zinc/50/78/22/1063507822.db2.gz FWDPCWJNCGGNGR-JOCHJYFZSA-N 1 0 484.645 2.608 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@@H](C)C1 ZINC001291238653 1063507766 /nfs/dbraw/zinc/50/77/66/1063507766.db2.gz USSBEGIBEIMDOZ-KRWDZBQOSA-N 1 0 465.693 2.910 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295483566 1063508312 /nfs/dbraw/zinc/50/83/12/1063508312.db2.gz GWLVOKFIWKGPMQ-XZOQPEGZSA-N 1 0 483.661 2.607 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295483857 1063509319 /nfs/dbraw/zinc/50/93/19/1063509319.db2.gz JNZVNJNELYORHR-UHFFFAOYSA-N 1 0 468.606 2.597 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@@H+](C2CCC2)C1 ZINC001291240860 1063510905 /nfs/dbraw/zinc/51/09/05/1063510905.db2.gz GYGPQMWEELCWBF-OCCSQVGLSA-N 1 0 461.355 2.528 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295484507 1063511235 /nfs/dbraw/zinc/51/12/35/1063511235.db2.gz OPQXASUFUFARQC-FUPPJEDESA-N 1 0 476.666 2.571 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC001295484647 1063511779 /nfs/dbraw/zinc/51/17/79/1063511779.db2.gz PWCIQHKYWSMQHQ-LJQANCHMSA-N 1 0 491.681 2.839 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCc2ccc(C)c(OC)c2)CC1 ZINC001295484947 1063513879 /nfs/dbraw/zinc/51/38/79/1063513879.db2.gz RRRXMMQFXPJCEE-UHFFFAOYSA-N 1 0 454.619 2.706 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242046 1063514838 /nfs/dbraw/zinc/51/48/38/1063514838.db2.gz WHVKMHJLFRFJQO-PKOBYXMFSA-N 1 0 475.638 2.549 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCOCC2)CC1 ZINC001295490403 1063516170 /nfs/dbraw/zinc/51/61/70/1063516170.db2.gz QCSPXCFKTZUGQC-UHFFFAOYSA-N 1 0 461.680 2.667 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001295490512 1063516613 /nfs/dbraw/zinc/51/66/13/1063516613.db2.gz UBSHLXIWYQKNFU-DEOSSOPVSA-N 1 0 469.678 2.931 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295490769 1063518606 /nfs/dbraw/zinc/51/86/06/1063518606.db2.gz HQAXVPHMPRISAK-QHCPKHFHSA-N 1 0 482.673 2.869 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001295491062 1063521278 /nfs/dbraw/zinc/52/12/78/1063521278.db2.gz OROMANIKRASMGE-UHFFFAOYSA-N 1 0 483.661 2.723 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291248368 1063522546 /nfs/dbraw/zinc/52/25/46/1063522546.db2.gz PLOQGTPQRAWGGU-NRAIQUKZSA-N 1 0 462.639 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCCO2)CC1 ZINC001295491550 1063522959 /nfs/dbraw/zinc/52/29/59/1063522959.db2.gz UFUKECXYFKHEFG-JOCHJYFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCS2)CC1 ZINC001295491587 1063523753 /nfs/dbraw/zinc/52/37/53/1063523753.db2.gz VIUMDSBKHOQZTK-LJQANCHMSA-N 1 0 477.704 2.520 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295491907 1063525378 /nfs/dbraw/zinc/52/53/78/1063525378.db2.gz ZKSCATCEYWRGCC-YLJYHZDGSA-N 1 0 473.622 2.529 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249344 1063525721 /nfs/dbraw/zinc/52/57/21/1063525721.db2.gz CXDRPMCFOIVWAV-PCCBWWKXSA-N 1 0 460.667 2.987 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@H](C(=O)OC)C2)c1 ZINC001295492437 1063525765 /nfs/dbraw/zinc/52/57/65/1063525765.db2.gz AXVWMGAWQQBLAA-OAQYLSRUSA-N 1 0 491.596 2.815 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC(C)(C)C1 ZINC001291249345 1063526006 /nfs/dbraw/zinc/52/60/06/1063526006.db2.gz CXDRPMCFOIVWAV-PWRODBHTSA-N 1 0 460.667 2.987 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 ZINC001295492446 1063525846 /nfs/dbraw/zinc/52/58/46/1063525846.db2.gz BMAQPTYCFHEAEL-FGZHOGPDSA-N 1 0 454.619 2.635 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)c1 ZINC001295492938 1063526403 /nfs/dbraw/zinc/52/64/03/1063526403.db2.gz HRMMLPZQVWWJSV-FQEVSTJZSA-N 1 0 497.644 2.681 20 0 JFADRO CC(C)[N@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291249531 1063526410 /nfs/dbraw/zinc/52/64/10/1063526410.db2.gz GQTNCPXTCOYVLM-LJQANCHMSA-N 1 0 456.639 2.796 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(C(N)=O)CC2)cc1 ZINC001295492958 1063526942 /nfs/dbraw/zinc/52/69/42/1063526942.db2.gz IHJKQMZKBSGECM-UHFFFAOYSA-N 1 0 461.614 2.856 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccnc3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)c1 ZINC001295493456 1063527847 /nfs/dbraw/zinc/52/78/47/1063527847.db2.gz POJXTVWSCVZFKC-DHIUTWEWSA-N 1 0 478.597 2.590 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccccc2Cl)CC1 ZINC001295494532 1063529350 /nfs/dbraw/zinc/52/93/50/1063529350.db2.gz QOTUVTPVNCYDTL-OAQYLSRUSA-N 1 0 491.036 2.852 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(CNC(C)=O)CC2)cc1 ZINC001295494637 1063529874 /nfs/dbraw/zinc/52/98/74/1063529874.db2.gz ROWRNBWXPBUZPL-UHFFFAOYSA-N 1 0 478.645 2.921 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2Cl)CC1 ZINC001295494614 1063529920 /nfs/dbraw/zinc/52/99/20/1063529920.db2.gz REDCYPAFATYXMN-HXUWFJFHSA-N 1 0 461.010 2.822 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291252362 1063533717 /nfs/dbraw/zinc/53/37/17/1063533717.db2.gz SCGRFFBMBUNWKY-RBUKOAKNSA-N 1 0 462.639 2.960 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC001295500598 1063534346 /nfs/dbraw/zinc/53/43/46/1063534346.db2.gz OROAGMBXCFTCSL-NHCUHLMSSA-N 1 0 461.632 2.643 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295500852 1063534361 /nfs/dbraw/zinc/53/43/61/1063534361.db2.gz SJVLRSCHPMHVPD-XQBPLPMBSA-N 1 0 475.659 2.684 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)C1 ZINC001295502837 1063537461 /nfs/dbraw/zinc/53/74/61/1063537461.db2.gz IEOHVDBLRWNYBM-IBGZPJMESA-N 1 0 467.586 2.916 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 ZINC001295503275 1063538402 /nfs/dbraw/zinc/53/84/02/1063538402.db2.gz KSQRQEKRMYALSS-UXHICEINSA-N 1 0 488.608 2.584 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3nsnc3c2)C1 ZINC001295503280 1063538485 /nfs/dbraw/zinc/53/84/85/1063538485.db2.gz KUKGLCYSHNKQSH-KRWDZBQOSA-N 1 0 456.620 2.637 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC001295504734 1063540508 /nfs/dbraw/zinc/54/05/08/1063540508.db2.gz VVCDOGXGKDJMAG-LJQANCHMSA-N 1 0 473.666 2.998 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 ZINC001295505235 1063540692 /nfs/dbraw/zinc/54/06/92/1063540692.db2.gz ZIVUXTAJGZNULW-HUUCEWRRSA-N 1 0 468.590 2.645 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001295505299 1063541269 /nfs/dbraw/zinc/54/12/69/1063541269.db2.gz YGGHMWPCYTXZLS-IBGZPJMESA-N 1 0 480.617 2.846 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C1 ZINC001295505599 1063542379 /nfs/dbraw/zinc/54/23/79/1063542379.db2.gz FSXPMQFCIANAJD-CQSZACIVSA-N 1 0 455.941 2.543 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)C1 ZINC001295506970 1063542958 /nfs/dbraw/zinc/54/29/58/1063542958.db2.gz MXSCRTQCOFELKJ-IBGZPJMESA-N 1 0 462.042 2.884 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccnc2OC)C1 ZINC001295507478 1063543635 /nfs/dbraw/zinc/54/36/35/1063543635.db2.gz PCNJBBNGEHWLLU-LJQANCHMSA-N 1 0 498.653 2.969 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001295509235 1063544160 /nfs/dbraw/zinc/54/41/60/1063544160.db2.gz TUDFLVMRLZLSAY-RLWLMLJZSA-N 1 0 486.661 2.542 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2nccnc2C)C1 ZINC001295509342 1063544227 /nfs/dbraw/zinc/54/42/27/1063544227.db2.gz VADGNSOHBORXTG-HXUWFJFHSA-N 1 0 497.669 2.858 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C1 ZINC001295509347 1063544749 /nfs/dbraw/zinc/54/47/49/1063544749.db2.gz VFZBJBHJTLGSET-MSOLQXFVSA-N 1 0 494.482 2.925 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001295509842 1063544897 /nfs/dbraw/zinc/54/48/97/1063544897.db2.gz WNVGPPOFAFLGJE-MOPGFXCFSA-N 1 0 461.632 2.557 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC2)C1 ZINC001295510541 1063545329 /nfs/dbraw/zinc/54/53/29/1063545329.db2.gz ZQIHONJUQRGYGW-HNNXBMFYSA-N 1 0 451.413 2.739 20 0 JFADRO C[C@@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001291256391 1063548035 /nfs/dbraw/zinc/54/80/35/1063548035.db2.gz UFILHPXREUFPDJ-ACRUOGEOSA-N 1 0 496.722 2.748 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001295515032 1063549010 /nfs/dbraw/zinc/54/90/10/1063549010.db2.gz CYDRMROTPVLTMO-PKOBYXMFSA-N 1 0 458.573 2.977 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 ZINC001295515030 1063549023 /nfs/dbraw/zinc/54/90/23/1063549023.db2.gz CYDRMROTPVLTMO-IEBWSBKVSA-N 1 0 458.573 2.977 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC001291256729 1063550012 /nfs/dbraw/zinc/55/00/12/1063550012.db2.gz YRVRBTZWQDMXOA-LEWJYISDSA-N 1 0 498.738 2.992 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001295516069 1063550802 /nfs/dbraw/zinc/55/08/02/1063550802.db2.gz IKJUPQZTAUMBFV-RBUKOAKNSA-N 1 0 485.599 2.672 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001295516078 1063550971 /nfs/dbraw/zinc/55/09/71/1063550971.db2.gz ILEUXFFZWLLHBX-ZCNNSNEGSA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)C1 ZINC001295516524 1063552975 /nfs/dbraw/zinc/55/29/75/1063552975.db2.gz LTFUCCUEKTYRRL-TZIWHRDSSA-N 1 0 456.639 2.607 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001295517105 1063553498 /nfs/dbraw/zinc/55/34/98/1063553498.db2.gz LNWSZRPGBUZNKC-CEXWTWQISA-N 1 0 463.573 2.855 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001295516628 1063553588 /nfs/dbraw/zinc/55/35/88/1063553588.db2.gz JEVQTHFXJWDJOH-FQEVSTJZSA-N 1 0 451.623 2.827 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295517933 1063554383 /nfs/dbraw/zinc/55/43/83/1063554383.db2.gz NJKVGDQXYIMPBA-CEXWTWQISA-N 1 0 450.628 2.863 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001295518660 1063555372 /nfs/dbraw/zinc/55/53/72/1063555372.db2.gz QNWPJGDRQTWAQO-RYRKJORJSA-N 1 0 461.636 2.610 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001295518593 1063555415 /nfs/dbraw/zinc/55/54/15/1063555415.db2.gz QJHKCDRENMVIKB-RTWAWAEBSA-N 1 0 455.607 2.742 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOCC2(C)C)C1 ZINC001295520173 1063556294 /nfs/dbraw/zinc/55/62/94/1063556294.db2.gz TTWHVAQHLDVLBQ-FQEVSTJZSA-N 1 0 475.707 2.913 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291261330 1063556684 /nfs/dbraw/zinc/55/66/84/1063556684.db2.gz ZDEVFYWIZUSMFJ-KBXCAEBGSA-N 1 0 477.478 2.881 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001295520827 1063557611 /nfs/dbraw/zinc/55/76/11/1063557611.db2.gz VVSBWGAKMAINEV-OXQOHEQNSA-N 1 0 462.545 2.755 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001295521380 1063558689 /nfs/dbraw/zinc/55/86/89/1063558689.db2.gz ZDSDYMCXQYXSBR-UNMCSNQZSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001295522648 1063559664 /nfs/dbraw/zinc/55/96/64/1063559664.db2.gz LRFOSGUSYAUDQD-UHFFFAOYSA-N 1 0 473.597 2.828 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295522695 1063559682 /nfs/dbraw/zinc/55/96/82/1063559682.db2.gz MHXVUPWLYVXMAL-FQEVSTJZSA-N 1 0 491.681 2.987 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001295524937 1063563042 /nfs/dbraw/zinc/56/30/42/1063563042.db2.gz RLMLCPAUGPRCBS-UHFFFAOYSA-N 1 0 483.646 2.749 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccn2)CC1 ZINC001295524962 1063563118 /nfs/dbraw/zinc/56/31/18/1063563118.db2.gz SBWYGTWXCATMOZ-UHFFFAOYSA-N 1 0 488.438 2.884 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295525186 1063563464 /nfs/dbraw/zinc/56/34/64/1063563464.db2.gz VOPIZTNWUBDPGE-IBGZPJMESA-N 1 0 464.561 2.799 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001295527769 1063565830 /nfs/dbraw/zinc/56/58/30/1063565830.db2.gz LNJYUBMOWKAJNQ-UHFFFAOYSA-N 1 0 499.479 2.796 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295528770 1063566266 /nfs/dbraw/zinc/56/62/66/1063566266.db2.gz UZJHMXJIJZABMN-GOSISDBHSA-N 1 0 450.990 2.990 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295529242 1063566752 /nfs/dbraw/zinc/56/67/52/1063566752.db2.gz XGRWQAYSHOIZCZ-UHFFFAOYSA-N 1 0 458.607 2.654 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001295530888 1063567801 /nfs/dbraw/zinc/56/78/01/1063567801.db2.gz QAPVTZAOJFADQO-NRFANRHFSA-N 1 0 465.602 2.567 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001295531178 1063568236 /nfs/dbraw/zinc/56/82/36/1063568236.db2.gz RTNKKUNKTPFYCU-UHFFFAOYSA-N 1 0 470.618 2.895 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(C(C)=O)CC1 ZINC001295531668 1063568731 /nfs/dbraw/zinc/56/87/31/1063568731.db2.gz YBBZDYVZROBSCM-UHFFFAOYSA-N 1 0 456.591 2.507 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001295532401 1063569309 /nfs/dbraw/zinc/56/93/09/1063569309.db2.gz GFYCDOWUCQEEJU-UHFFFAOYSA-N 1 0 468.631 2.927 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001295532795 1063569640 /nfs/dbraw/zinc/56/96/40/1063569640.db2.gz LNISHUQCZQKWLO-UHFFFAOYSA-N 1 0 480.592 2.959 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001295533409 1063570048 /nfs/dbraw/zinc/57/00/48/1063570048.db2.gz UHVXUUIGPSVNAU-IBGZPJMESA-N 1 0 477.679 2.831 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001295533400 1063570150 /nfs/dbraw/zinc/57/01/50/1063570150.db2.gz UAWGPMVMJVMCPM-UHFFFAOYSA-N 1 0 468.581 2.941 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@](C)(CC)C1 ZINC001295533860 1063570611 /nfs/dbraw/zinc/57/06/11/1063570611.db2.gz GKYVCTNYYLUYKE-RUZDIDTESA-N 1 0 467.618 2.929 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001295534760 1063571934 /nfs/dbraw/zinc/57/19/34/1063571934.db2.gz QAZBMDMHLRPPLZ-PZJWPPBQSA-N 1 0 472.638 2.649 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001295534761 1063571983 /nfs/dbraw/zinc/57/19/83/1063571983.db2.gz QAZBMDMHLRPPLZ-TZIWHRDSSA-N 1 0 472.638 2.649 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001295535515 1063572439 /nfs/dbraw/zinc/57/24/39/1063572439.db2.gz WZSTXJGZMNASDA-OAQYLSRUSA-N 1 0 473.666 2.580 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001295535756 1063572941 /nfs/dbraw/zinc/57/29/41/1063572941.db2.gz ZBFXQESSDUREKP-FGZHOGPDSA-N 1 0 473.710 2.904 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001295539202 1063574584 /nfs/dbraw/zinc/57/45/84/1063574584.db2.gz MIGROENDONHRBD-UHFFFAOYSA-N 1 0 474.675 2.934 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001295539787 1063574601 /nfs/dbraw/zinc/57/46/01/1063574601.db2.gz RGUVHGKRHCJNKI-XLNZFTOWSA-N 1 0 490.674 2.774 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001295539772 1063574671 /nfs/dbraw/zinc/57/46/71/1063574671.db2.gz QTTCWWJFUZLCKQ-UHFFFAOYSA-N 1 0 488.580 2.895 20 0 JFADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001295540085 1063575203 /nfs/dbraw/zinc/57/52/03/1063575203.db2.gz UWPBDXOTXNMBSE-UHFFFAOYSA-N 1 0 487.722 2.875 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1 ZINC001295543084 1063578187 /nfs/dbraw/zinc/57/81/87/1063578187.db2.gz WLYVJEMCOGANON-KRWDZBQOSA-N 1 0 455.575 2.827 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](OC)C1 ZINC001295543665 1063578644 /nfs/dbraw/zinc/57/86/44/1063578644.db2.gz ZFIKULRNPGTEBH-OAQYLSRUSA-N 1 0 456.639 2.799 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295544792 1063579944 /nfs/dbraw/zinc/57/99/44/1063579944.db2.gz PJVCKIDGTFUFIP-NJDAHSKKSA-N 1 0 475.682 2.969 20 0 JFADRO CC[NH+](CC)CCOCCn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001295546025 1063581301 /nfs/dbraw/zinc/58/13/01/1063581301.db2.gz XUVAPQARFPASEH-GOSISDBHSA-N 1 0 450.628 2.960 20 0 JFADRO CC[NH+](CC)CCOCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001295550585 1063583290 /nfs/dbraw/zinc/58/32/90/1063583290.db2.gz JDYISAVWZKJIHG-FQEVSTJZSA-N 1 0 451.656 2.999 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001295551375 1063584342 /nfs/dbraw/zinc/58/43/42/1063584342.db2.gz TZGZJERFPRBLSW-HXUWFJFHSA-N 1 0 493.674 2.721 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(F)F)CC1 ZINC001295554015 1063587496 /nfs/dbraw/zinc/58/74/96/1063587496.db2.gz PQNCGWMJYLMGLT-MRXNPFEDSA-N 1 0 450.534 2.791 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001295554205 1063587958 /nfs/dbraw/zinc/58/79/58/1063587958.db2.gz UHKBLAZBGZIHBS-HOJAQTOUSA-N 1 0 470.618 2.940 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291277053 1063589519 /nfs/dbraw/zinc/58/95/19/1063589519.db2.gz WXXXRUHCDZTFJD-LJQANCHMSA-N 1 0 489.665 2.721 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295555205 1063589862 /nfs/dbraw/zinc/58/98/62/1063589862.db2.gz VGTFMOPSTJGANB-MJGOQNOKSA-N 1 0 450.591 2.767 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001295555299 1063590374 /nfs/dbraw/zinc/59/03/74/1063590374.db2.gz YDKJUDZRWAKKJC-HUUCEWRRSA-N 1 0 466.428 2.728 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001295559068 1063591299 /nfs/dbraw/zinc/59/12/99/1063591299.db2.gz BBPZSZWGLVZJMS-ZRBLBEILSA-N 1 0 498.720 2.831 20 0 JFADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291277819 1063593183 /nfs/dbraw/zinc/59/31/83/1063593183.db2.gz KMXXDDSCFIPSSD-NVXWUHKLSA-N 1 0 499.607 2.683 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001295560763 1063594443 /nfs/dbraw/zinc/59/44/43/1063594443.db2.gz YVPRVEGHNDKKKR-GGPKGHCWSA-N 1 0 459.664 2.904 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001295562899 1063595924 /nfs/dbraw/zinc/59/59/24/1063595924.db2.gz IMTCMMOBJTXWEL-VAMGGRTRSA-N 1 0 492.665 2.765 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001295562953 1063596059 /nfs/dbraw/zinc/59/60/59/1063596059.db2.gz IZVMVZINBGVJPO-LGVFNWMJSA-N 1 0 494.706 2.668 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 ZINC001295562972 1063596454 /nfs/dbraw/zinc/59/64/54/1063596454.db2.gz JGGRIDPQRISHNB-MSOLQXFVSA-N 1 0 466.627 2.542 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001295563952 1063596945 /nfs/dbraw/zinc/59/69/45/1063596945.db2.gz QEINTKUOYMBEAL-HXUWFJFHSA-N 1 0 483.661 2.992 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001295564351 1063597929 /nfs/dbraw/zinc/59/79/29/1063597929.db2.gz UPRKQGGUGSOQOI-IRLDBZIGSA-N 1 0 458.626 2.897 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001295565466 1063598863 /nfs/dbraw/zinc/59/88/63/1063598863.db2.gz JJKMNLCDFAMKJU-DYESRHJHSA-N 1 0 473.622 2.945 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001295566370 1063599953 /nfs/dbraw/zinc/59/99/53/1063599953.db2.gz TUPMCICECGALEO-WBVHZDCISA-N 1 0 467.039 2.522 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001295566447 1063599983 /nfs/dbraw/zinc/59/99/83/1063599983.db2.gz UNMQYVXYQIZYSG-DENIHFKCSA-N 1 0 472.682 2.575 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001295566894 1063601138 /nfs/dbraw/zinc/60/11/38/1063601138.db2.gz WXOIPOYLFQLCMW-QUCCMNQESA-N 1 0 490.674 2.602 20 0 JFADRO C[C@H]1OCC[C@@]12CN(c1nnc(COc3ccc(Cl)cc3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291280167 1063601770 /nfs/dbraw/zinc/60/17/70/1063601770.db2.gz BBNPFGYBLOMUGM-KHCICDEESA-N 1 0 494.036 2.861 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295567049 1063601894 /nfs/dbraw/zinc/60/18/94/1063601894.db2.gz FWMDFAHRESHYKN-MJGOQNOKSA-N 1 0 458.632 2.704 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001295569656 1063604261 /nfs/dbraw/zinc/60/42/61/1063604261.db2.gz VBCAJJXSTXMKDH-CTNGQTDRSA-N 1 0 487.674 2.650 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295570944 1063607476 /nfs/dbraw/zinc/60/74/76/1063607476.db2.gz YVAYNSORQHGXMN-LJQANCHMSA-N 1 0 470.597 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001295570908 1063607545 /nfs/dbraw/zinc/60/75/45/1063607545.db2.gz XVWRYSOKIGQYBA-LZQZEXGQSA-N 1 0 480.407 2.911 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295573148 1063611499 /nfs/dbraw/zinc/61/14/99/1063611499.db2.gz TZVUKVDGORBREL-CWJKEVGVSA-N 1 0 475.682 2.967 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291282310 1063612434 /nfs/dbraw/zinc/61/24/34/1063612434.db2.gz NMLJDTFZNUWBOP-SFHVURJKSA-N 1 0 458.582 2.785 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001295577334 1063615461 /nfs/dbraw/zinc/61/54/61/1063615461.db2.gz YLFSGZOIFZJKGC-KRWDZBQOSA-N 1 0 457.529 2.887 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)N2CCCC2)n1CC[NH+]1CCCCC1 ZINC001295578536 1063618199 /nfs/dbraw/zinc/61/81/99/1063618199.db2.gz KRZPDQKSKDKXMR-UHFFFAOYSA-N 1 0 481.645 2.728 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2cccs2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287404 1063638719 /nfs/dbraw/zinc/63/87/19/1063638719.db2.gz BACJHNLVVYYZTQ-RDGPPVDQSA-N 1 0 496.703 2.791 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccncc2)n1CCCC(=O)N(C)C ZINC001291287473 1063639556 /nfs/dbraw/zinc/63/95/56/1063639556.db2.gz CECIRDXRDKXAEQ-OAQYLSRUSA-N 1 0 461.614 2.843 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295595930 1063640788 /nfs/dbraw/zinc/64/07/88/1063640788.db2.gz VZQWKQRONJCHQD-IRLDBZIGSA-N 1 0 472.609 2.890 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295595929 1063640812 /nfs/dbraw/zinc/64/08/12/1063640812.db2.gz VZQWKQRONJCHQD-IFMALSPDSA-N 1 0 472.609 2.890 20 0 JFADRO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291287868 1063644130 /nfs/dbraw/zinc/64/41/30/1063644130.db2.gz IUPACIGJPLPEOE-IBGZPJMESA-N 1 0 463.648 2.942 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F ZINC001291288117 1063646615 /nfs/dbraw/zinc/64/66/15/1063646615.db2.gz NFESSWXMOZOPCR-SFHVURJKSA-N 1 0 487.530 2.653 20 0 JFADRO C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291288257 1063647857 /nfs/dbraw/zinc/64/78/57/1063647857.db2.gz PFVAZRAWJLOYKD-GBESFXJTSA-N 1 0 475.663 2.710 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291288415 1063648483 /nfs/dbraw/zinc/64/84/83/1063648483.db2.gz SCGKMEPMAHMJHQ-OKZBNKHCSA-N 1 0 461.010 2.765 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001291288418 1063649496 /nfs/dbraw/zinc/64/94/96/1063649496.db2.gz SDLKVIKCMGYTPV-CPJSRVTESA-N 1 0 454.619 2.632 20 0 JFADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295608679 1063658815 /nfs/dbraw/zinc/65/88/15/1063658815.db2.gz XYQOQLIALWIUBP-MJGOQNOKSA-N 1 0 492.646 2.518 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291289778 1063659352 /nfs/dbraw/zinc/65/93/52/1063659352.db2.gz PTEMKRWYOASNAW-LNLFQRSKSA-N 1 0 461.010 2.800 20 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CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001295838639 1063857180 /nfs/dbraw/zinc/85/71/80/1063857180.db2.gz KXAAZCVSXONHAN-RBUKOAKNSA-N 1 0 468.524 2.999 20 0 JFADRO CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001295841468 1063860456 /nfs/dbraw/zinc/86/04/56/1063860456.db2.gz GXGPMJPBGYQINQ-GOSISDBHSA-N 1 0 457.652 2.749 20 0 JFADRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)C(C)C ZINC001295844241 1063863398 /nfs/dbraw/zinc/86/33/98/1063863398.db2.gz AGOAOUDCLLWPMC-UHFFFAOYSA-N 1 0 479.633 2.812 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001295844511 1063863940 /nfs/dbraw/zinc/86/39/40/1063863940.db2.gz CFPHPJFAQSVQJJ-MOPGFXCFSA-N 1 0 475.638 2.549 20 0 JFADRO CCn1nc(-c2nnc(N3CCOC[C@@H]3C)n2CC[N@H+](CC)C(C)C)c2ccccc2c1=O ZINC001295844726 1063864763 /nfs/dbraw/zinc/86/47/63/1063864763.db2.gz DLZXPZKONHNSPQ-SFHVURJKSA-N 1 0 453.591 2.630 20 0 JFADRO 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CC[N@H+](CCn1c(COc2ccc(Br)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)C1CC1 ZINC001295866493 1063901636 /nfs/dbraw/zinc/90/16/36/1063901636.db2.gz YAZOVUNQZDLILR-MRXNPFEDSA-N 1 0 491.434 2.771 20 0 JFADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1)C(C)C ZINC001295867612 1063902729 /nfs/dbraw/zinc/90/27/29/1063902729.db2.gz WMINCSWWBUUXHB-UHFFFAOYSA-N 1 0 456.639 2.552 20 0 JFADRO CC[C@](C)(O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291375652 1063905824 /nfs/dbraw/zinc/90/58/24/1063905824.db2.gz HFEFIIMLOMHQNE-SANMLTNESA-N 1 0 481.645 2.679 20 0 JFADRO CC[C@@](C)(O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001291375851 1063905868 /nfs/dbraw/zinc/90/58/68/1063905868.db2.gz KRWLBDISWFFNHA-ATIYNZHBSA-N 1 0 471.646 2.782 20 0 JFADRO CC[N@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1)C(C)C ZINC001295869051 1063906362 /nfs/dbraw/zinc/90/63/62/1063906362.db2.gz HFAXEIHYYRSEKW-HSALFYBXSA-N 1 0 489.665 2.590 20 0 JFADRO 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CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001291395786 1063951134 /nfs/dbraw/zinc/95/11/34/1063951134.db2.gz PMUNEVBKPWVEPM-QYXIYQDXSA-N 1 0 454.619 2.657 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001291395936 1063951193 /nfs/dbraw/zinc/95/11/93/1063951193.db2.gz RJSUODCSZGKKCF-OWHZGTRUSA-N 1 0 454.619 2.657 20 0 JFADRO CCn1cc(C2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)cn1 ZINC001295897151 1063951433 /nfs/dbraw/zinc/95/14/33/1063951433.db2.gz WDEVWZHOBJBHHI-JOCHJYFZSA-N 1 0 470.666 2.977 20 0 JFADRO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC001295900825 1063953717 /nfs/dbraw/zinc/95/37/17/1063953717.db2.gz BQMKZOZVKRUIHL-UHFFFAOYSA-N 1 0 464.618 2.718 20 0 JFADRO CCn1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)cn1 ZINC001295902898 1063957690 /nfs/dbraw/zinc/95/76/90/1063957690.db2.gz WALRDKGJAUMOFK-QFIPXVFZSA-N 1 0 464.618 2.978 20 0 JFADRO 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CC[C@H](C)c1nnc(N(C)C[C@H](C)C(=O)NC)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001291437903 1064017505 /nfs/dbraw/zinc/01/75/05/1064017505.db2.gz UHNFCJNWFJMQJF-ACRUOGEOSA-N 1 0 455.651 2.821 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001291438044 1064017869 /nfs/dbraw/zinc/01/78/69/1064017869.db2.gz WEJHICARNVBGOD-HXUWFJFHSA-N 1 0 450.672 2.697 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001295975454 1064019106 /nfs/dbraw/zinc/01/91/06/1064019106.db2.gz CAVPGPCRXUKQQO-IAGOWNOFSA-N 1 0 495.550 2.817 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001295975442 1064019307 /nfs/dbraw/zinc/01/93/07/1064019307.db2.gz DECLCTJGRNCCOW-SVFBPWRDSA-N 1 0 488.658 2.807 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001295975829 1064020717 /nfs/dbraw/zinc/02/07/17/1064020717.db2.gz FJSJUQILEXAQFO-HUUCEWRRSA-N 1 0 453.513 2.797 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001295975930 1064020827 /nfs/dbraw/zinc/02/08/27/1064020827.db2.gz HAGSAHQVJDQHNK-KXNSMUHISA-N 1 0 462.545 2.944 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001295975831 1064020841 /nfs/dbraw/zinc/02/08/41/1064020841.db2.gz FJSJUQILEXAQFO-LSDHHAIUSA-N 1 0 453.513 2.797 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001295976047 1064021156 /nfs/dbraw/zinc/02/11/56/1064021156.db2.gz CBNBSDBYYTYIAW-BERHBOFZSA-N 1 0 498.672 2.944 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024338 /nfs/dbraw/zinc/02/43/38/1064024338.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 1 0 456.635 2.983 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@H]1C ZINC001295978826 1064027087 /nfs/dbraw/zinc/02/70/87/1064027087.db2.gz TVPRRBAXDFDIOY-MSOLQXFVSA-N 1 0 460.648 2.914 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001295980094 1064029016 /nfs/dbraw/zinc/02/90/16/1064029016.db2.gz QJLPJMLWTJKYNH-PMACEKPBSA-N 1 0 485.633 2.678 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ncccc1C ZINC001291470309 1064031010 /nfs/dbraw/zinc/03/10/10/1064031010.db2.gz OETYNTBNONFPBI-GREBRCKQSA-N 1 0 453.635 2.922 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1nccs1 ZINC001291470919 1064032450 /nfs/dbraw/zinc/03/24/50/1064032450.db2.gz XDONRGYMLPMNEU-BJLQDIEVSA-N 1 0 459.664 2.870 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@@H]1C ZINC001295981818 1064033175 /nfs/dbraw/zinc/03/31/75/1064033175.db2.gz SAWTXMSGNFUEBT-UFYCRDLUSA-N 1 0 478.663 2.503 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@@H]1C ZINC001295982539 1064035751 /nfs/dbraw/zinc/03/57/51/1064035751.db2.gz URHFAKFQXFHAJW-BZSNNMDCSA-N 1 0 487.630 2.511 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479157 1064036074 /nfs/dbraw/zinc/03/60/74/1064036074.db2.gz FDWOLBLROCXRHU-LZLYRXPVSA-N 1 0 466.677 2.813 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1C ZINC001295983214 1064038423 /nfs/dbraw/zinc/03/84/23/1064038423.db2.gz ZKCQJYMJTCOSAX-DXIQSLLYSA-N 1 0 497.644 2.501 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@H]1C ZINC001295983534 1064039475 /nfs/dbraw/zinc/03/94/75/1064039475.db2.gz WTQIUMDBCUNFGW-QLFBSQMISA-N 1 0 475.084 2.765 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001291484338 1064040992 /nfs/dbraw/zinc/04/09/92/1064040992.db2.gz XNLYPEDCPZPCFA-SFTDATJTSA-N 1 0 467.662 2.965 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@H]1C ZINC001295984554 1064042292 /nfs/dbraw/zinc/04/22/92/1064042292.db2.gz ZUNHNORDWFWMRD-IXDOHACOSA-N 1 0 485.054 2.540 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001295984523 1064042317 /nfs/dbraw/zinc/04/23/17/1064042317.db2.gz ZEIFHNMETIPCJR-QQMNAOGKSA-N 1 0 477.679 2.627 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1C ZINC001295990131 1064044892 /nfs/dbraw/zinc/04/48/92/1064044892.db2.gz FCQRYGDNFGQRPE-KZNAEPCWSA-N 1 0 481.066 2.941 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492171 1064045284 /nfs/dbraw/zinc/04/52/84/1064045284.db2.gz SEMCMBLPFVIBQI-LEWJYISDSA-N 1 0 454.619 2.751 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492172 1064045335 /nfs/dbraw/zinc/04/53/35/1064045335.db2.gz SEMCMBLPFVIBQI-NHCUHLMSSA-N 1 0 454.619 2.751 20 0 JFADRO COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001295992043 1064046739 /nfs/dbraw/zinc/04/67/39/1064046739.db2.gz GEQZXNIUCPMJDO-HBMCJLEFSA-N 1 0 454.656 2.712 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC001295992676 1064047350 /nfs/dbraw/zinc/04/73/50/1064047350.db2.gz FCLZWIRBNWNIKD-MSOLQXFVSA-N 1 0 466.565 2.532 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001295992737 1064047374 /nfs/dbraw/zinc/04/73/74/1064047374.db2.gz FNIKRIOPJRCEKO-QZTJIDSGSA-N 1 0 483.617 2.866 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)C[C@H]1C ZINC001295993021 1064047922 /nfs/dbraw/zinc/04/79/22/1064047922.db2.gz BUEINEOCDPOXNW-FYQPLNBISA-N 1 0 478.638 2.542 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291495855 1064048612 /nfs/dbraw/zinc/04/86/12/1064048612.db2.gz BALWRNZBEJOPSN-DYESRHJHSA-N 1 0 467.618 2.668 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291495853 1064048639 /nfs/dbraw/zinc/04/86/39/1064048639.db2.gz AWVINBRJTRSGSE-VDZJLULYSA-N 1 0 473.647 2.923 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001295993523 1064048844 /nfs/dbraw/zinc/04/88/44/1064048844.db2.gz IJRYMAOWPSTXNQ-IAGOWNOFSA-N 1 0 456.595 2.949 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001291497442 1064049971 /nfs/dbraw/zinc/04/99/71/1064049971.db2.gz XKAKFQNBDVABSI-LAUBAEHRSA-N 1 0 485.608 2.829 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001291497443 1064050328 /nfs/dbraw/zinc/05/03/28/1064050328.db2.gz XKAKFQNBDVABSI-UTKZUKDTSA-N 1 0 485.608 2.829 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291501733 1064052098 /nfs/dbraw/zinc/05/20/98/1064052098.db2.gz VCLLCWHIEZSONY-IFMALSPDSA-N 1 0 470.666 2.847 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291502082 1064052549 /nfs/dbraw/zinc/05/25/49/1064052549.db2.gz AXCFOAJWJAXXEI-FPOVZHCZSA-N 1 0 474.675 2.994 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295998186 1064054652 /nfs/dbraw/zinc/05/46/52/1064054652.db2.gz TWFFRMBVFIKFLU-QZTJIDSGSA-N 1 0 460.627 2.902 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@@H]1C ZINC001295998695 1064056223 /nfs/dbraw/zinc/05/62/23/1064056223.db2.gz VAVOSVWGKNTLBQ-ROUUACIJSA-N 1 0 453.591 2.538 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295999511 1064056647 /nfs/dbraw/zinc/05/66/47/1064056647.db2.gz BGLMNKSCNVETIZ-ROUUACIJSA-N 1 0 451.550 2.961 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001296001469 1064057445 /nfs/dbraw/zinc/05/74/45/1064057445.db2.gz IAFUIZRYGXCVGQ-VXKWHMMOSA-N 1 0 467.662 2.744 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001291507708 1064058329 /nfs/dbraw/zinc/05/83/29/1064058329.db2.gz YVVPQTIMWWPZLN-QZTJIDSGSA-N 1 0 452.669 2.526 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@H]1C ZINC001296004257 1064059694 /nfs/dbraw/zinc/05/96/94/1064059694.db2.gz YDBZHHZIZFHPHK-RTWAWAEBSA-N 1 0 461.614 2.921 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001296004344 1064059718 /nfs/dbraw/zinc/05/97/18/1064059718.db2.gz YVIKHAXLVWCHPG-IAGOWNOFSA-N 1 0 473.423 2.842 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001296004346 1064059837 /nfs/dbraw/zinc/05/98/37/1064059837.db2.gz YVIKHAXLVWCHPG-IRXDYDNUSA-N 1 0 473.423 2.842 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291508430 1064059979 /nfs/dbraw/zinc/05/99/79/1064059979.db2.gz MCNBHQLMOUNRRH-NHCUHLMSSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509642 1064060924 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1064137613 /nfs/dbraw/zinc/13/76/13/1064137613.db2.gz FTVODBVVCMXFGP-ZWKOTPCHSA-N 1 0 468.023 2.618 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001296073123 1064138039 /nfs/dbraw/zinc/13/80/39/1064138039.db2.gz BYMOZIJQPPPKTF-GOSISDBHSA-N 1 0 458.611 2.540 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001296073651 1064139492 /nfs/dbraw/zinc/13/94/92/1064139492.db2.gz GGTDPGMWUJROHN-RTBURBONSA-N 1 0 479.622 2.884 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001296074541 1064140461 /nfs/dbraw/zinc/14/04/61/1064140461.db2.gz LIQYYLJOEUSKCV-NLINSNCNSA-N 1 0 472.659 2.762 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001296074717 1064141472 /nfs/dbraw/zinc/14/14/72/1064141472.db2.gz MFMCMGDXFCDAOZ-QRVBRYPASA-N 1 0 498.694 2.704 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001296074765 1064141504 /nfs/dbraw/zinc/14/15/04/1064141504.db2.gz XPDBKKDGDNXLCG-FCHUYYIVSA-N 1 0 473.710 2.874 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296075686 1064143442 /nfs/dbraw/zinc/14/34/42/1064143442.db2.gz PZXZIORLLUACKW-KNKQGSTJSA-N 1 0 488.599 2.876 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296075982 1064143906 /nfs/dbraw/zinc/14/39/06/1064143906.db2.gz ZHIPXMBHBLLDEI-OAQYLSRUSA-N 1 0 490.674 2.558 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3cncc4nc(C)nn43)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291609313 1064146360 /nfs/dbraw/zinc/14/63/60/1064146360.db2.gz SEELASHTNYGIAJ-QZTJIDSGSA-N 1 0 454.627 2.595 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001291609757 1064147418 /nfs/dbraw/zinc/14/74/18/1064147418.db2.gz VHCPEHCJAGKPCZ-INIZCTEOSA-N 1 0 470.544 2.653 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C)C1 ZINC001296080578 1064147561 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/nfs/dbraw/zinc/15/68/55/1064156855.db2.gz GTCXGHHPOLLLOK-HXUWFJFHSA-N 1 0 470.618 2.929 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088005 1064157213 /nfs/dbraw/zinc/15/72/13/1064157213.db2.gz QCHOZHDKFBNLKO-MOPGFXCFSA-N 1 0 475.638 2.597 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001296088008 1064157799 /nfs/dbraw/zinc/15/77/99/1064157799.db2.gz QCHOZHDKFBNLKO-RBUKOAKNSA-N 1 0 475.638 2.597 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001296088939 1064159461 /nfs/dbraw/zinc/15/94/61/1064159461.db2.gz WBUXXTDVXROZCN-XLIONFOSSA-N 1 0 467.586 2.969 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 ZINC001296091004 1064162559 /nfs/dbraw/zinc/16/25/59/1064162559.db2.gz YREROYGNAOIGBU-SFHVURJKSA-N 1 0 461.408 2.908 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622322 1064162915 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1064172087 /nfs/dbraw/zinc/17/20/87/1064172087.db2.gz ZPHYWGDQFTYAQI-GOSISDBHSA-N 1 0 469.556 2.908 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291629709 1064174040 /nfs/dbraw/zinc/17/40/40/1064174040.db2.gz RCPJPEMPCJNVAI-HXUWFJFHSA-N 1 0 455.651 2.548 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1=O ZINC001296101995 1064177006 /nfs/dbraw/zinc/17/70/06/1064177006.db2.gz ACWUGJOMZHRFPY-SFHVURJKSA-N 1 0 486.617 2.514 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)CC1=O ZINC001296102053 1064177558 /nfs/dbraw/zinc/17/75/58/1064177558.db2.gz CBLJYIYEOSBCSY-UHFFFAOYSA-N 1 0 480.455 2.693 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291631429 1064177803 /nfs/dbraw/zinc/17/78/03/1064177803.db2.gz VLXNLJLMOXPJPS-YADHBBJMSA-N 1 0 461.699 2.902 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)[NH+](C)C)CC1=O ZINC001296102410 1064178017 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/nfs/dbraw/zinc/18/27/07/1064182707.db2.gz RELLRZAKOAMYAS-KAOXLYBCSA-N 1 0 473.710 2.950 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296105782 1064184014 /nfs/dbraw/zinc/18/40/14/1064184014.db2.gz LWZWKYDKGMWVNV-SFHVURJKSA-N 1 0 461.010 2.625 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC1(C(N)=O)CCOCC1 ZINC001291637705 1064184685 /nfs/dbraw/zinc/18/46/85/1064184685.db2.gz JNRSOPASEJRKAR-VQTJNVASSA-N 1 0 454.619 2.784 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638997 1064186523 /nfs/dbraw/zinc/18/65/23/1064186523.db2.gz LBXOGSZIGLOETM-UGKGYDQZSA-N 1 0 475.659 2.543 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291639040 1064187015 /nfs/dbraw/zinc/18/70/15/1064187015.db2.gz OVGAZYWHTOASTP-PZJWPPBQSA-N 1 0 488.706 2.513 20 0 JFADRO CCN1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CC1=O ZINC001296108719 1064187190 /nfs/dbraw/zinc/18/71/90/1064187190.db2.gz MIPJTTZSHSNYEG-JOCHJYFZSA-N 1 0 464.618 2.820 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640262 1064188520 /nfs/dbraw/zinc/18/85/20/1064188520.db2.gz QSCDNXQVLADJOF-FGZHOGPDSA-N 1 0 462.683 2.840 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCO[C@@H](C)C1 ZINC001291640270 1064189549 /nfs/dbraw/zinc/18/95/49/1064189549.db2.gz QVFANMJFNDOIGH-MYDTUXCISA-N 1 0 462.683 2.838 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)CC1=O ZINC001296110756 1064190053 /nfs/dbraw/zinc/19/00/53/1064190053.db2.gz RCLODCKZFIXCPQ-UHFFFAOYSA-N 1 0 481.689 2.510 20 0 JFADRO CCN1CCCN(c2nnc(CC(C)(C)C)n2Cc2ccccc2OCC[NH+](C)C)CC1=O ZINC001296111315 1064190830 /nfs/dbraw/zinc/19/08/30/1064190830.db2.gz WXNYZJNRAQAOII-UHFFFAOYSA-N 1 0 456.635 2.914 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCCc1cnn(C)n1 ZINC001291641702 1064191394 /nfs/dbraw/zinc/19/13/94/1064191394.db2.gz DLLYULMSZMTXOP-PWRODBHTSA-N 1 0 457.671 2.548 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001291643326 1064194153 /nfs/dbraw/zinc/19/41/53/1064194153.db2.gz HEGGOLAJDHYPHG-ICSRJNTNSA-N 1 0 452.669 2.670 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001291643327 1064194189 /nfs/dbraw/zinc/19/41/89/1064194189.db2.gz HEGGOLAJDHYPHG-QUCCMNQESA-N 1 0 452.669 2.670 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001291643550 1064195149 /nfs/dbraw/zinc/19/51/49/1064195149.db2.gz JLEBEPGSMWRTHO-HXUWFJFHSA-N 1 0 474.675 2.907 20 0 JFADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001296114531 1064195845 /nfs/dbraw/zinc/19/58/45/1064195845.db2.gz YQSFJCHPHKPDIE-UPVQGACJSA-N 1 0 453.558 2.624 20 0 JFADRO CCN1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC001296116159 1064196388 /nfs/dbraw/zinc/19/63/88/1064196388.db2.gz BGHSCESLOSILHU-VXKWHMMOSA-N 1 0 468.646 2.621 20 0 JFADRO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCCCC[NH+]2CCCCC2)CC1=O ZINC001296117739 1064198758 /nfs/dbraw/zinc/19/87/58/1064198758.db2.gz VMAAYCRDHCJHGN-UHFFFAOYSA-N 1 0 470.666 2.855 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccn4C)n3CCC[N@H+](C)C(C)C)CC2)CC1 ZINC001296119053 1064203096 /nfs/dbraw/zinc/20/30/96/1064203096.db2.gz OAUMZQVANCNMJD-UHFFFAOYSA-N 1 0 498.720 2.785 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001296119550 1064205550 /nfs/dbraw/zinc/20/55/50/1064205550.db2.gz WIXRQZFUYJHVJP-FCHUYYIVSA-N 1 0 497.688 2.616 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120557 1064210640 /nfs/dbraw/zinc/21/06/40/1064210640.db2.gz JLZQRDAGVPVMRL-DXIQSLLYSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296120586 1064210898 /nfs/dbraw/zinc/21/08/98/1064210898.db2.gz JSXNYMJVKOWFGL-QHAWAJNXSA-N 1 0 488.702 2.857 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291666813 1064211622 /nfs/dbraw/zinc/21/16/22/1064211622.db2.gz FAPFJKCQQMMGJF-FAJBIJEISA-N 1 0 461.611 2.949 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296121058 1064211624 /nfs/dbraw/zinc/21/16/24/1064211624.db2.gz MQLTZCTZLLDUFV-SFHVURJKSA-N 1 0 474.053 2.716 20 0 JFADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N1CC[NH+](CC)CC1)C(C)C ZINC001296121348 1064212749 /nfs/dbraw/zinc/21/27/49/1064212749.db2.gz NYFXSPZHPSNMND-LJQANCHMSA-N 1 0 490.722 2.807 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121507 1064212806 /nfs/dbraw/zinc/21/28/06/1064212806.db2.gz PFBIWHKLAMHZKM-GOSISDBHSA-N 1 0 457.026 2.994 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC001296121534 1064213112 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/nfs/dbraw/zinc/21/70/17/1064217017.db2.gz GXUIYTIBGPDURG-RTBURBONSA-N 1 0 474.675 2.930 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124419 1064217124 /nfs/dbraw/zinc/21/71/24/1064217124.db2.gz HDFASARDUXAAPG-GOSISDBHSA-N 1 0 492.068 2.594 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001296124879 1064217951 /nfs/dbraw/zinc/21/79/51/1064217951.db2.gz KFENFFLPIPZVHN-FSSWDIPSSA-N 1 0 456.635 2.520 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296125174 1064218366 /nfs/dbraw/zinc/21/83/66/1064218366.db2.gz LDWIREGLSNHEEC-QZTJIDSGSA-N 1 0 463.026 2.858 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296126023 1064219640 /nfs/dbraw/zinc/21/96/40/1064219640.db2.gz OQXWXVGXPSJGIJ-QZTJIDSGSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296126100 1064220159 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CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001291784915 1064279949 /nfs/dbraw/zinc/27/99/49/1064279949.db2.gz STZZLCCBMCWINA-WZOHSFFVSA-N 1 0 473.618 2.980 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2OCC[C@H]2C)C[C@@H]1C ZINC001296163914 1064280883 /nfs/dbraw/zinc/28/08/83/1064280883.db2.gz ZGFXBGQMBFEDIQ-IYWMVGAKSA-N 1 0 478.638 2.542 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291785380 1064281196 /nfs/dbraw/zinc/28/11/96/1064281196.db2.gz VMHJXYSHKNNONC-IBGZPJMESA-N 1 0 468.581 2.843 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001291786239 1064283041 /nfs/dbraw/zinc/28/30/41/1064283041.db2.gz RNIZLZCPXRGZKF-RBBKRZOGSA-N 1 0 490.674 2.761 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291787309 1064284644 /nfs/dbraw/zinc/28/46/44/1064284644.db2.gz ZHZSSCCFZFMOHU-PMVMPFDFSA-N 1 0 490.693 2.961 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291787334 1064284687 /nfs/dbraw/zinc/28/46/87/1064284687.db2.gz ZVEBCTJZECPIHL-PZJWPPBQSA-N 1 0 454.619 2.883 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001296166230 1064288013 /nfs/dbraw/zinc/28/80/13/1064288013.db2.gz NIMRMCKPRZQYGS-QGZVFWFLSA-N 1 0 468.524 2.683 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)(F)F)C[C@H]1C ZINC001296168311 1064291293 /nfs/dbraw/zinc/29/12/93/1064291293.db2.gz JPJFKSJRTBJXHX-MRXNPFEDSA-N 1 0 451.497 2.974 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001291793457 1064292339 /nfs/dbraw/zinc/29/23/39/1064292339.db2.gz MRYMGSMQVHYNCB-IBGZPJMESA-N 1 0 482.633 2.685 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001296173239 1064295464 /nfs/dbraw/zinc/29/54/64/1064295464.db2.gz CUAHIZCJDJGHBK-QRFRQXIXSA-N 1 0 498.550 2.917 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001296173461 1064296074 /nfs/dbraw/zinc/29/60/74/1064296074.db2.gz HFEVBTYXXRVNQR-HXUWFJFHSA-N 1 0 475.682 2.659 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001291794986 1064298307 /nfs/dbraw/zinc/29/83/07/1064298307.db2.gz FLDQLNGXOZARLU-LJQANCHMSA-N 1 0 490.674 2.574 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001296173885 1064299454 /nfs/dbraw/zinc/29/94/54/1064299454.db2.gz MRJFGPYCFDTHRP-KRWDZBQOSA-N 1 0 499.607 2.761 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCCSCC(C)C)C2)CC1 ZINC001296174125 1064301251 /nfs/dbraw/zinc/30/12/51/1064301251.db2.gz NXHMYPTWRAVYBN-OAQYLSRUSA-N 1 0 477.723 2.510 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001296174215 1064302033 /nfs/dbraw/zinc/30/20/33/1064302033.db2.gz OOAVFQODBMJVKG-KRWDZBQOSA-N 1 0 458.998 2.802 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)C2)CC1 ZINC001296174780 1064302557 /nfs/dbraw/zinc/30/25/57/1064302557.db2.gz UDFYUVMTSGLPJP-QGZVFWFLSA-N 1 0 460.696 2.989 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296175537 1064304484 /nfs/dbraw/zinc/30/44/84/1064304484.db2.gz XCNBQIUEHLYLTM-HBMCJLEFSA-N 1 0 491.681 2.601 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)C1=O ZINC001296178513 1064305182 /nfs/dbraw/zinc/30/51/82/1064305182.db2.gz AAEFGGNTGGRQMH-QFIPXVFZSA-N 1 0 489.709 2.950 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC[S@@](=O)CC)C2)CC1 ZINC001296178548 1064305647 /nfs/dbraw/zinc/30/56/47/1064305647.db2.gz ACFBXAWDRVCVIV-WAUFSOIDSA-N 1 0 496.628 2.531 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001296178732 1064306591 /nfs/dbraw/zinc/30/65/91/1064306591.db2.gz CNLGCBVMUROQER-DZRGJMJISA-N 1 0 474.625 2.934 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178941 1064307024 /nfs/dbraw/zinc/30/70/24/1064307024.db2.gz CPZWLYCHIKIPQR-HYBUGGRVSA-N 1 0 480.723 2.677 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCOC)C2)CC1 ZINC001296179491 1064308732 /nfs/dbraw/zinc/30/87/32/1064308732.db2.gz HKUZWQZEIKMIEA-IBGZPJMESA-N 1 0 481.016 2.617 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001296180251 1064311259 /nfs/dbraw/zinc/31/12/59/1064311259.db2.gz LRBCDZMKGDKJAO-IRXDYDNUSA-N 1 0 462.586 2.989 20 0 JFADRO CCN1CCN(C2CCN(c3nnc([C@H]4CCCOC4)n3CCC[N@H+](C)C(C)C)CC2)C1=O ZINC001296180292 1064311591 /nfs/dbraw/zinc/31/15/91/1064311591.db2.gz MVCNVSPZKKHOQW-FQEVSTJZSA-N 1 0 461.655 2.629 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001296181157 1064314295 /nfs/dbraw/zinc/31/42/95/1064314295.db2.gz SRIMJVKKTPDHBO-NTKDMRAZSA-N 1 0 477.053 2.602 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCN(C)CC(F)(F)F)C2)CC1 ZINC001296181321 1064314943 /nfs/dbraw/zinc/31/49/43/1064314943.db2.gz VRMHWIJMTMTPSY-LJQANCHMSA-N 1 0 457.589 2.646 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291803278 1064315754 /nfs/dbraw/zinc/31/57/54/1064315754.db2.gz JXQMHNVUEXONLZ-SFHVURJKSA-N 1 0 468.606 2.597 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181638 1064316257 /nfs/dbraw/zinc/31/62/57/1064316257.db2.gz AEQMEWKSKVWEFU-FPOVZHCZSA-N 1 0 475.682 2.702 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001296181750 1064317603 /nfs/dbraw/zinc/31/76/03/1064317603.db2.gz ZXCOIJBROIUJCE-IRLDBZIGSA-N 1 0 455.651 2.926 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001296181749 1064317810 /nfs/dbraw/zinc/31/78/10/1064317810.db2.gz ZXCOIJBROIUJCE-IFMALSPDSA-N 1 0 455.651 2.926 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181827 1064318426 /nfs/dbraw/zinc/31/84/26/1064318426.db2.gz DYVHWJBDMMMHPY-UUOWRZLLSA-N 1 0 462.589 2.524 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001291804225 1064320532 /nfs/dbraw/zinc/32/05/32/1064320532.db2.gz PCSTVQLZDVXPOM-GBESFXJTSA-N 1 0 470.618 2.940 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296182361 1064323104 /nfs/dbraw/zinc/32/31/04/1064323104.db2.gz QSDAIWYBLOLOHC-OZXSUGGESA-N 1 0 454.663 2.687 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001291807096 1064329813 /nfs/dbraw/zinc/32/98/13/1064329813.db2.gz XOINECHHTADXCP-IBGZPJMESA-N 1 0 480.592 2.891 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001291807098 1064329838 /nfs/dbraw/zinc/32/98/38/1064329838.db2.gz XOINECHHTADXCP-LJQANCHMSA-N 1 0 480.592 2.891 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296183850 1064330284 /nfs/dbraw/zinc/33/02/84/1064330284.db2.gz HCUPNFCGTUCCIL-MJGOQNOKSA-N 1 0 494.482 2.925 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001296185688 1064333624 /nfs/dbraw/zinc/33/36/24/1064333624.db2.gz QOOWRQGRHJHPMV-QFIPXVFZSA-N 1 0 468.694 2.998 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001296186029 1064333679 /nfs/dbraw/zinc/33/36/79/1064333679.db2.gz SDBBLVJCQQNPKG-QFIPXVFZSA-N 1 0 473.710 2.904 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296186690 1064334977 /nfs/dbraw/zinc/33/49/77/1064334977.db2.gz YENXRZMURLHCOQ-LJQANCHMSA-N 1 0 459.605 2.750 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001296190030 1064336755 /nfs/dbraw/zinc/33/67/55/1064336755.db2.gz AZXBNHKRGSTMNH-GGAORHGYSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001296190032 1064336987 /nfs/dbraw/zinc/33/69/87/1064336987.db2.gz AZXBNHKRGSTMNH-JTHBVZDNSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296190839 1064340545 /nfs/dbraw/zinc/34/05/45/1064340545.db2.gz GCDINCBXVIBEAZ-GOTSBHOMSA-N 1 0 454.663 2.952 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296192074 1064344190 /nfs/dbraw/zinc/34/41/90/1064344190.db2.gz MAJOFZJVMLHCEJ-SWYRRKHMSA-N 1 0 489.709 2.854 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192866 1064347420 /nfs/dbraw/zinc/34/74/20/1064347420.db2.gz HAWBHZOVSNZQNR-NFBKMPQASA-N 1 0 483.661 2.529 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN(Cc3csc(C)n3)CC2)CC1 ZINC001296193272 1064349669 /nfs/dbraw/zinc/34/96/69/1064349669.db2.gz IFLFLQDKMPFLQU-UHFFFAOYSA-N 1 0 474.723 2.906 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296193387 1064350384 /nfs/dbraw/zinc/35/03/84/1064350384.db2.gz IRPCQWARIXARDH-BJLQDIEVSA-N 1 0 481.567 2.770 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296193768 1064353176 /nfs/dbraw/zinc/35/31/76/1064353176.db2.gz QCZHXQSVHGJWQN-SQJMNOBHSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC001296193989 1064353201 /nfs/dbraw/zinc/35/32/01/1064353201.db2.gz LVHKAHFEIILILO-JOCHJYFZSA-N 1 0 472.613 2.544 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291818207 1064353311 /nfs/dbraw/zinc/35/33/11/1064353311.db2.gz RGRRZBOPKIKTCI-FDFHNCONSA-N 1 0 497.688 2.894 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296194535 1064356077 /nfs/dbraw/zinc/35/60/77/1064356077.db2.gz MKIOJVNCFNEHIF-RUZDIDTESA-N 1 0 468.650 2.970 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194592 1064356933 /nfs/dbraw/zinc/35/69/33/1064356933.db2.gz MRPRYXKUHJYSEF-UHFFFAOYSA-N 1 0 476.576 2.579 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195040 1064358761 /nfs/dbraw/zinc/35/87/61/1064358761.db2.gz UUXXRGFCLBJBNJ-FCHUYYIVSA-N 1 0 456.683 2.553 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195644 1064359759 /nfs/dbraw/zinc/35/97/59/1064359759.db2.gz PRWHKFYQBJRPTH-UNMCSNQZSA-N 1 0 498.676 2.717 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296195606 1064361828 /nfs/dbraw/zinc/36/18/28/1064361828.db2.gz WMDQWHCNYBRSAK-FHWLQOOXSA-N 1 0 460.589 2.906 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296195668 1064362596 /nfs/dbraw/zinc/36/25/96/1064362596.db2.gz XBGQBYCMADEBJA-QHCPKHFHSA-N 1 0 497.688 2.615 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001291822592 1064364551 /nfs/dbraw/zinc/36/45/51/1064364551.db2.gz KVVGDAZZHNJTLN-YTFSRNRJSA-N 1 0 497.688 2.561 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296196157 1064365768 /nfs/dbraw/zinc/36/57/68/1064365768.db2.gz XMEJNRLTNVWGFQ-JTHBVZDNSA-N 1 0 469.678 2.789 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296196741 1064369623 /nfs/dbraw/zinc/36/96/23/1064369623.db2.gz ZUQZWJSIMAXYLF-QFIPXVFZSA-N 1 0 482.673 2.726 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296197382 1064373305 /nfs/dbraw/zinc/37/33/05/1064373305.db2.gz XQHZYCPADLOCHM-DHLKQENFSA-N 1 0 462.683 2.829 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3F)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296197513 1064374521 /nfs/dbraw/zinc/37/45/21/1064374521.db2.gz YKFKPDOHVLIWKB-FQEVSTJZSA-N 1 0 471.625 2.559 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC001296202218 1064377092 /nfs/dbraw/zinc/37/70/92/1064377092.db2.gz BHOFXOYAEMNPJG-GOSISDBHSA-N 1 0 454.545 2.671 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296202232 1064377782 /nfs/dbraw/zinc/37/77/82/1064377782.db2.gz BOBUBQMADLKNDO-UHFFFAOYSA-N 1 0 457.667 2.724 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N(C)CC2CC2)CC1 ZINC001296202915 1064378537 /nfs/dbraw/zinc/37/85/37/1064378537.db2.gz GOCPNTFKKNTGCL-UHFFFAOYSA-N 1 0 464.456 2.920 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296202917 1064378592 /nfs/dbraw/zinc/37/85/92/1064378592.db2.gz GPJOSLXTQOBJHQ-UHFFFAOYSA-N 1 0 469.678 2.902 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC001296203029 1064379162 /nfs/dbraw/zinc/37/91/62/1064379162.db2.gz GZKZNHBGIXHNGJ-OAQYLSRUSA-N 1 0 464.561 2.793 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296202974 1064380103 /nfs/dbraw/zinc/38/01/03/1064380103.db2.gz JPTFTXLPIOLHHE-QFIPXVFZSA-N 1 0 478.682 2.773 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296203132 1064380515 /nfs/dbraw/zinc/38/05/15/1064380515.db2.gz IPAAMMNGCJCAGU-HXUWFJFHSA-N 1 0 463.671 2.923 20 0 JFADRO CCN1CC[NH+](CCCCn2c(N3CCC(C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296203306 1064381339 /nfs/dbraw/zinc/38/13/39/1064381339.db2.gz KLWPUNXFEZMMNT-UHFFFAOYSA-N 1 0 473.710 2.832 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001296203903 1064384021 /nfs/dbraw/zinc/38/40/21/1064384021.db2.gz CZXSCDDNWZEKOF-RTWAWAEBSA-N 1 0 450.697 2.922 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296203844 1064384173 /nfs/dbraw/zinc/38/41/73/1064384173.db2.gz PWFBRDXMNIUDBI-IBGZPJMESA-N 1 0 479.073 2.613 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296204358 1064385536 /nfs/dbraw/zinc/38/55/36/1064385536.db2.gz UPCDIWWUKARKOZ-FQEVSTJZSA-N 1 0 463.671 2.875 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296204245 1064385599 /nfs/dbraw/zinc/38/55/99/1064385599.db2.gz IXMCRPZBFGEPOS-YADHBBJMSA-N 1 0 462.683 2.984 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CCC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296204957 1064388471 /nfs/dbraw/zinc/38/84/71/1064388471.db2.gz OHFCQYVWCOPULR-UHFFFAOYSA-N 1 0 468.572 2.962 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001291830322 1064389959 /nfs/dbraw/zinc/38/99/59/1064389959.db2.gz SYNWCSAUCFYDKY-NRFANRHFSA-N 1 0 467.662 2.657 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296205462 1064391180 /nfs/dbraw/zinc/39/11/80/1064391180.db2.gz AAIPNHHVGDSFFQ-UHFFFAOYSA-N 1 0 472.041 2.699 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001291831994 1064394648 /nfs/dbraw/zinc/39/46/48/1064394648.db2.gz DYVWANZUSLMFPC-FPOVZHCZSA-N 1 0 471.650 2.758 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832259 1064395966 /nfs/dbraw/zinc/39/59/66/1064395966.db2.gz GBOSHXOBGQSNRN-YADHBBJMSA-N 1 0 497.688 2.722 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296207644 1064398670 /nfs/dbraw/zinc/39/86/70/1064398670.db2.gz ZWMNMASVFYINEM-RDPSFJRHSA-N 1 0 486.661 2.851 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001296209866 1064399184 /nfs/dbraw/zinc/39/91/84/1064399184.db2.gz ADWXQXYWOIWETH-UHFFFAOYSA-N 1 0 473.710 2.733 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CCCc3ccccc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001296210264 1064400788 /nfs/dbraw/zinc/40/07/88/1064400788.db2.gz DCQULRQHENWCLB-QHCPKHFHSA-N 1 0 497.688 2.758 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296211304 1064401809 /nfs/dbraw/zinc/40/18/09/1064401809.db2.gz MFMWQTVDVQTIGX-UPVQGACJSA-N 1 0 454.663 2.952 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296211317 1064401833 /nfs/dbraw/zinc/40/18/33/1064401833.db2.gz MWSSRTMTJRBOHC-UHFFFAOYSA-N 1 0 475.632 2.592 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)C2CC2)CC1 ZINC001296212556 1064404407 /nfs/dbraw/zinc/40/44/07/1064404407.db2.gz AAJSKBWGGIIETO-FQEVSTJZSA-N 1 0 461.655 2.976 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001291833773 1064405015 /nfs/dbraw/zinc/40/50/15/1064405015.db2.gz OUHRZNOBEJOEKR-FQEVSTJZSA-N 1 0 486.064 2.897 20 0 JFADRO CCn1nc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296213195 1064407058 /nfs/dbraw/zinc/40/70/58/1064407058.db2.gz BALLNHMWWMZATQ-MSOLQXFVSA-N 1 0 453.591 2.630 20 0 JFADRO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@H+](C)C2CCCC2)c2ccccc2c1=O ZINC001296213393 1064408584 /nfs/dbraw/zinc/40/85/84/1064408584.db2.gz ILHONBULEZMWLO-UHFFFAOYSA-N 1 0 494.644 2.510 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291834184 1064408689 /nfs/dbraw/zinc/40/86/89/1064408689.db2.gz UVNJVGPTCSSRRL-YADHBBJMSA-N 1 0 497.688 2.722 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001291834204 1064408734 /nfs/dbraw/zinc/40/87/34/1064408734.db2.gz VBXOHFZCNJEKDN-RTBURBONSA-N 1 0 489.068 2.515 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CC[C@@](O)(c4ccccc4F)C3)nnc2C(C)(C)C)CC1 ZINC001296213915 1064411493 /nfs/dbraw/zinc/41/14/93/1064411493.db2.gz LHOIIXJZXGQEED-VWLOTQADSA-N 1 0 458.626 2.840 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001296214859 1064415024 /nfs/dbraw/zinc/41/50/24/1064415024.db2.gz PGTGRWZQDQWUTM-NHCUHLMSSA-N 1 0 456.635 2.986 20 0 JFADRO CCn1nc(-c2nnc(N(C)CC(F)(F)F)n2CC2([NH+](C)C)CCOCC2)c2ccccc2c1=O ZINC001296215708 1064418563 /nfs/dbraw/zinc/41/85/63/1064418563.db2.gz ZGJJQBFOOXYHFL-UHFFFAOYSA-N 1 0 493.534 2.784 20 0 JFADRO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001296216055 1064421629 /nfs/dbraw/zinc/42/16/29/1064421629.db2.gz ZGCNZQOPLTZXBD-GOSISDBHSA-N 1 0 494.644 2.510 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296216210 1064422361 /nfs/dbraw/zinc/42/23/61/1064422361.db2.gz IOJFXNHQTRRVGM-YESZJQIVSA-N 1 0 455.632 2.955 20 0 JFADRO CCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H](F)COC)c2ccccc2c1=O ZINC001296219104 1064431603 /nfs/dbraw/zinc/43/16/03/1064431603.db2.gz HFQPOAVFAWHBEP-KRWDZBQOSA-N 1 0 471.581 2.580 20 0 JFADRO CCn1nc(-c2nnc(N3CC[C@H](C)[C@H](OC)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219154 1064432359 /nfs/dbraw/zinc/43/23/59/1064432359.db2.gz IWVPMIPEJDOUNP-GHTZIAJQSA-N 1 0 467.618 2.876 20 0 JFADRO CCn1nc(-c2nnc(N3CCC[C@H](OC)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001296219509 1064433268 /nfs/dbraw/zinc/43/32/68/1064433268.db2.gz LEXLILCKFSUJCV-SFHVURJKSA-N 1 0 467.618 2.878 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001296222866 1064447157 /nfs/dbraw/zinc/44/71/57/1064447157.db2.gz ZMRFFKVVGXKAPW-OAQYLSRUSA-N 1 0 487.693 2.625 20 0 JFADRO CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001291851700 1064458198 /nfs/dbraw/zinc/45/81/98/1064458198.db2.gz UAPVMKOJHCAZNN-RDGATRHJSA-N 1 0 482.673 2.971 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC001291853116 1064460639 /nfs/dbraw/zinc/46/06/39/1064460639.db2.gz LEBZOTUWMMXPLF-UHFFFAOYSA-N 1 0 455.584 2.722 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291856945 1064464260 /nfs/dbraw/zinc/46/42/60/1064464260.db2.gz JZKJDMKWQNQKJD-NNXSRULWSA-N 1 0 468.646 2.986 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001296230840 1064464896 /nfs/dbraw/zinc/46/48/96/1064464896.db2.gz CBGIMEIAUCHGIF-UHFFFAOYSA-N 1 0 470.618 2.799 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCOCC[NH+](C)C)c1ccccc1 ZINC001291862164 1064471590 /nfs/dbraw/zinc/47/15/90/1064471590.db2.gz VXBVDYHZVMSCKE-QFZWGZQFSA-N 1 0 457.619 2.782 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001296232790 1064472770 /nfs/dbraw/zinc/47/27/70/1064472770.db2.gz IYHCFAQBPMEBOH-GOSISDBHSA-N 1 0 472.609 2.936 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864429 1064477700 /nfs/dbraw/zinc/47/77/00/1064477700.db2.gz UIRXTGAPRVCONG-ZJSXRUAMSA-N 1 0 481.689 2.808 20 0 JFADRO CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864484 1064477756 /nfs/dbraw/zinc/47/77/56/1064477756.db2.gz GLVHKXLXUVVRGP-QPPBQGQZSA-N 1 0 481.689 2.938 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001296242683 1064502151 /nfs/dbraw/zinc/50/21/51/1064502151.db2.gz PGAHATXKSVCSCU-LJQANCHMSA-N 1 0 453.635 2.737 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881929 1064504214 /nfs/dbraw/zinc/50/42/14/1064504214.db2.gz ZGYAAYZTYBXINY-FYYLOGMGSA-N 1 0 481.689 2.938 20 0 JFADRO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291882635 1064504528 /nfs/dbraw/zinc/50/45/28/1064504528.db2.gz VJOQEDIAGCUMAY-BJKOFHAPSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887956 1064510388 /nfs/dbraw/zinc/51/03/88/1064510388.db2.gz LPUFMWXBZWNMSW-VABKMULXSA-N 1 0 468.646 2.879 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291888349 1064511485 /nfs/dbraw/zinc/51/14/85/1064511485.db2.gz RRJYKTZJQKJGEZ-BJKOFHAPSA-N 1 0 468.646 2.725 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001296250286 1064513057 /nfs/dbraw/zinc/51/30/57/1064513057.db2.gz VNCMKLKFWCTTMU-LJQANCHMSA-N 1 0 470.618 2.703 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889178 1064514101 /nfs/dbraw/zinc/51/41/01/1064514101.db2.gz ZQTANGYXGGDGAK-UPVQGACJSA-N 1 0 497.688 2.982 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(N2CC[NH+](C3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001296251762 1064515764 /nfs/dbraw/zinc/51/57/64/1064515764.db2.gz UCXVEDCNFXKYAN-RUZDIDTESA-N 1 0 476.666 2.546 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892513 1064519541 /nfs/dbraw/zinc/51/95/41/1064519541.db2.gz GCBRNVCUWKSCBB-RXVVDRJESA-N 1 0 452.607 2.646 20 0 JFADRO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)c1 ZINC001296256405 1064520431 /nfs/dbraw/zinc/52/04/31/1064520431.db2.gz CADMYQODARDZKP-UHFFFAOYSA-N 1 0 459.612 2.740 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893011 1064520834 /nfs/dbraw/zinc/52/08/34/1064520834.db2.gz JLIPKRZHKRVIGS-XLGIIRLISA-N 1 0 468.646 2.845 20 0 JFADRO CC[C@@H](c1nnc(N2CCS(=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291900931 1064531564 /nfs/dbraw/zinc/53/15/64/1064531564.db2.gz KIQYSRNFUQKDBK-JTHBVZDNSA-N 1 0 472.703 2.662 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC001296273156 1064542141 /nfs/dbraw/zinc/54/21/41/1064542141.db2.gz LXXIQVIDJHENRD-XMMPIXPASA-N 1 0 481.689 2.879 20 0 JFADRO CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)OC ZINC001291922337 1064542904 /nfs/dbraw/zinc/54/29/04/1064542904.db2.gz JWVIOUKELRUMIN-UHFFFAOYSA-N 1 0 469.634 2.598 20 0 JFADRO CCC(CC)(Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)SC ZINC001291924211 1064544885 /nfs/dbraw/zinc/54/48/85/1064544885.db2.gz ZOLXJDVLHYYZHV-UHFFFAOYSA-N 1 0 459.664 2.939 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)SC ZINC001291925237 1064545625 /nfs/dbraw/zinc/54/56/25/1064545625.db2.gz GDUYRCHBFFDZRN-LJQANCHMSA-N 1 0 464.680 2.700 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291930839 1064548229 /nfs/dbraw/zinc/54/82/29/1064548229.db2.gz DQINTZZZYSDXLE-MDNUFGMLSA-N 1 0 490.693 2.756 20 0 JFADRO CCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001296280708 1064551340 /nfs/dbraw/zinc/55/13/40/1064551340.db2.gz GZOOTWWBZHWGPY-OAQYLSRUSA-N 1 0 454.619 2.891 20 0 JFADRO C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)N1CCN(c2ccc(F)cc2)CC1 ZINC001296281134 1064552243 /nfs/dbraw/zinc/55/22/43/1064552243.db2.gz STFJJWBYSGUUML-CJFMBICVSA-N 1 0 454.590 2.609 20 0 JFADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291933477 1064552324 /nfs/dbraw/zinc/55/23/24/1064552324.db2.gz HMXWMCCYIQJBFA-ZJSXRUAMSA-N 1 0 497.688 2.848 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001296283125 1064554711 /nfs/dbraw/zinc/55/47/11/1064554711.db2.gz KMEXFANSDZHJRJ-SIKLNZKXSA-N 1 0 487.718 2.978 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@H+](C)C(C)C)CC1 ZINC001296288602 1064561733 /nfs/dbraw/zinc/56/17/33/1064561733.db2.gz LPEPPEWDWZOSKO-IBGZPJMESA-N 1 0 487.718 2.730 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCOCC1 ZINC001291951748 1064563656 /nfs/dbraw/zinc/56/36/56/1064563656.db2.gz FOVZLQNOPHBJFN-PXNSSMCTSA-N 1 0 490.052 2.797 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C ZINC001291952241 1064564871 /nfs/dbraw/zinc/56/48/71/1064564871.db2.gz JNBCVDSIZDTXPK-QFIPXVFZSA-N 1 0 459.614 2.853 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1)[NH+]1CCOCC1 ZINC001291952048 1064564947 /nfs/dbraw/zinc/56/49/47/1064564947.db2.gz HPTIJLBRJJJGOZ-QHCPKHFHSA-N 1 0 499.660 2.552 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)[NH+]1CCOCC1 ZINC001291952299 1064565313 /nfs/dbraw/zinc/56/53/13/1064565313.db2.gz KBIOARVBMJLCMX-SFTDATJTSA-N 1 0 473.618 2.794 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001291952519 1064565362 /nfs/dbraw/zinc/56/53/62/1064565362.db2.gz LGCZRMASAIHQAO-BNDYYXHWSA-N 1 0 484.711 2.508 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001296289681 1064565508 /nfs/dbraw/zinc/56/55/08/1064565508.db2.gz WJMXUMOJVULUER-LJQANCHMSA-N 1 0 476.069 2.833 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001291954544 1064568004 /nfs/dbraw/zinc/56/80/04/1064568004.db2.gz RQMXXMXHEZKJQM-ICSRJNTNSA-N 1 0 458.607 2.650 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001296293119 1064568429 /nfs/dbraw/zinc/56/84/29/1064568429.db2.gz GJJCQEMONQKIJM-DEOSSOPVSA-N 1 0 495.716 2.689 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001291954884 1064568973 /nfs/dbraw/zinc/56/89/73/1064568973.db2.gz SFWRQMFFMLCUGL-JTSKRJEESA-N 1 0 472.634 2.996 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001296293742 1064569609 /nfs/dbraw/zinc/56/96/09/1064569609.db2.gz CERGWQAOBWPGHB-NRFANRHFSA-N 1 0 485.652 2.531 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001296293912 1064570017 /nfs/dbraw/zinc/57/00/17/1064570017.db2.gz FQTJVEZAMWJZRB-JOCHJYFZSA-N 1 0 488.080 2.655 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001291956384 1064571279 /nfs/dbraw/zinc/57/12/79/1064571279.db2.gz ZQDHLWYYPKLHRT-OAQYLSRUSA-N 1 0 497.644 2.841 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001291961024 1064573038 /nfs/dbraw/zinc/57/30/38/1064573038.db2.gz AJYMNWAUGUIRNE-SIKLNZKXSA-N 1 0 471.650 2.512 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001291961203 1064573337 /nfs/dbraw/zinc/57/33/37/1064573337.db2.gz DHELGLSNOKHYPE-QFIPXVFZSA-N 1 0 473.641 2.661 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001291961170 1064573408 /nfs/dbraw/zinc/57/34/08/1064573408.db2.gz CRFALEOSCKRQJS-OALUTQOASA-N 1 0 456.591 2.742 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001291962720 1064575987 /nfs/dbraw/zinc/57/59/87/1064575987.db2.gz BIGOYOUVGKXOPG-DLBZAZTESA-N 1 0 472.556 2.943 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001291963319 1064576678 /nfs/dbraw/zinc/57/66/78/1064576678.db2.gz IZYUGLVEZNODNB-JOCHJYFZSA-N 1 0 469.634 2.569 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291963675 1064577137 /nfs/dbraw/zinc/57/71/37/1064577137.db2.gz DDVHHHJIQXQMCR-NUDCOPPTSA-N 1 0 489.665 2.699 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291963687 1064577156 /nfs/dbraw/zinc/57/71/56/1064577156.db2.gz DDVHHHJIQXQMCR-XMNZWCOLSA-N 1 0 489.665 2.699 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCNC(=O)[C@H]1CC)[NH+]1CCOCC1 ZINC001291966118 1064579293 /nfs/dbraw/zinc/57/92/93/1064579293.db2.gz UJTRYRIHMBKFSD-YADHBBJMSA-N 1 0 469.634 2.500 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+]1CCOCC1 ZINC001291966335 1064580050 /nfs/dbraw/zinc/58/00/50/1064580050.db2.gz AUGROABSJRQTAX-BDTNDASRSA-N 1 0 460.667 2.671 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291966450 1064580415 /nfs/dbraw/zinc/58/04/15/1064580415.db2.gz WLYVLDGHCCTADU-REWPJTCUSA-N 1 0 471.650 2.715 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001291966821 1064580704 /nfs/dbraw/zinc/58/07/04/1064580704.db2.gz DGHPKTZYUYBZAW-DHIUTWEWSA-N 1 0 470.662 2.765 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+](C)C ZINC001291966886 1064581648 /nfs/dbraw/zinc/58/16/48/1064581648.db2.gz FMRRFEWKDBUUCQ-SESVDKBCSA-N 1 0 498.738 2.850 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001291967223 1064582019 /nfs/dbraw/zinc/58/20/19/1064582019.db2.gz OAKHLHXTMRONQF-QHAWAJNXSA-N 1 0 478.707 2.944 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC001291968822 1064584796 /nfs/dbraw/zinc/58/47/96/1064584796.db2.gz RWTMXENLSNTMDL-TYPHKJRUSA-N 1 0 477.679 2.622 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001296306692 1064585350 /nfs/dbraw/zinc/58/53/50/1064585350.db2.gz LNFQEAYZUQIYFN-HXUWFJFHSA-N 1 0 469.634 2.927 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCOCC1 ZINC001291969689 1064585495 /nfs/dbraw/zinc/58/54/95/1064585495.db2.gz XSRDYIHBFCMJJI-NFBKMPQASA-N 1 0 498.672 2.681 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291972526 1064586765 /nfs/dbraw/zinc/58/67/65/1064586765.db2.gz BEHQDCYFUAXXSQ-WOJBJXKFSA-N 1 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JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001291975289 1064589629 /nfs/dbraw/zinc/58/96/29/1064589629.db2.gz RHQCEJXKVJUBCS-IFMALSPDSA-N 1 0 459.639 2.502 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC001296310959 1064591312 /nfs/dbraw/zinc/59/13/12/1064591312.db2.gz OWHNROOAIDQHEW-NRFANRHFSA-N 1 0 455.607 2.709 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)[NH+](C)C ZINC001291975765 1064591405 /nfs/dbraw/zinc/59/14/05/1064591405.db2.gz YRIJVXGMKYMKDW-FOVJLYNBSA-N 1 0 473.710 2.586 20 0 JFADRO CCC(CC)[C@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291976494 1064592419 /nfs/dbraw/zinc/59/24/19/1064592419.db2.gz GVMUNPMWQFQMOR-VWLOTQADSA-N 1 0 498.672 2.971 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296312271 1064592689 /nfs/dbraw/zinc/59/26/89/1064592689.db2.gz XAPHMUOFTSOFJD-BGYRXZFFSA-N 1 0 499.660 2.693 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001296312744 1064592896 /nfs/dbraw/zinc/59/28/96/1064592896.db2.gz YIFMRPVLFXDRTM-NRFANRHFSA-N 1 0 466.565 2.634 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296312797 1064593013 /nfs/dbraw/zinc/59/30/13/1064593013.db2.gz ZVFNDURTXHKPLA-HXUWFJFHSA-N 1 0 454.623 2.704 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001296315332 1064594030 /nfs/dbraw/zinc/59/40/30/1064594030.db2.gz OZSHUQXKYIPAAZ-VXKWHMMOSA-N 1 0 469.634 2.717 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296315454 1064594397 /nfs/dbraw/zinc/59/43/97/1064594397.db2.gz BSPFTYWSTSMISV-HXUWFJFHSA-N 1 0 453.635 2.761 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001296315675 1064595091 /nfs/dbraw/zinc/59/50/91/1064595091.db2.gz GVKSQYFMIXNQGH-QHCPKHFHSA-N 1 0 492.093 2.811 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001296317279 1064599116 /nfs/dbraw/zinc/59/91/16/1064599116.db2.gz AESOZPVWKSVYDM-NRFANRHFSA-N 1 0 471.650 2.993 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC=C(C)C)CC1 ZINC001296321417 1064604594 /nfs/dbraw/zinc/60/45/94/1064604594.db2.gz ZGUSFSJEYXJQAF-UHFFFAOYSA-N 1 0 494.688 2.851 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001296324627 1064610800 /nfs/dbraw/zinc/61/08/00/1064610800.db2.gz AXZZCJNQULBLEG-AEFFLSMTSA-N 1 0 480.704 2.744 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001296324790 1064612201 /nfs/dbraw/zinc/61/22/01/1064612201.db2.gz CBRMINKQEBCIOA-IPMKNSEASA-N 1 0 494.637 2.560 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001296325535 1064616276 /nfs/dbraw/zinc/61/62/76/1064616276.db2.gz KIVHEPAZXKZNBE-WOJBJXKFSA-N 1 0 461.655 2.534 20 0 JFADRO O=C(CNC(=O)OCC(F)(F)F)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC001292001091 1064619144 /nfs/dbraw/zinc/61/91/44/1064619144.db2.gz QXHQAMWBOKCXOM-UHFFFAOYSA-N 1 0 451.449 2.631 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001296328281 1064622679 /nfs/dbraw/zinc/62/26/79/1064622679.db2.gz ANSGENIPBLQJDA-HKUYNNGSSA-N 1 0 496.081 2.632 20 0 JFADRO CC[NH+]1CCC(CNC(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 ZINC001292006216 1064625538 /nfs/dbraw/zinc/62/55/38/1064625538.db2.gz LLKWDGWAYULIHR-SFHVURJKSA-N 1 0 459.450 2.891 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001296329727 1064628478 /nfs/dbraw/zinc/62/84/78/1064628478.db2.gz LQGBDQYOKLANQJ-FPOVZHCZSA-N 1 0 474.675 2.894 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001292016564 1064649197 /nfs/dbraw/zinc/64/91/97/1064649197.db2.gz GOQUTKUVYZUJKW-UHFFFAOYSA-N 1 0 464.680 2.783 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@H]1CCn2ccnc2C1 ZINC001292019384 1064657626 /nfs/dbraw/zinc/65/76/26/1064657626.db2.gz FBMFXSIGZJSBPQ-GBESFXJTSA-N 1 0 456.639 2.575 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001292022865 1064666676 /nfs/dbraw/zinc/66/66/76/1064666676.db2.gz MWWPVCNOFDTGLX-DDLLOKISSA-N 1 0 478.682 2.947 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC(=O)N1CCCCCC1 ZINC001292030097 1064687000 /nfs/dbraw/zinc/68/70/00/1064687000.db2.gz LTKCRQLVYVCIPL-FPOVZHCZSA-N 1 0 473.666 2.662 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292036277 1064699224 /nfs/dbraw/zinc/69/92/24/1064699224.db2.gz MFBVYMBNLFAVPY-FXAWDEMLSA-N 1 0 474.581 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC(=O)N(C)C ZINC001292055409 1064724242 /nfs/dbraw/zinc/72/42/42/1064724242.db2.gz SBOSPUBAJVZWKP-UHFFFAOYSA-N 1 0 475.682 2.767 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(NC(C)=O)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001292063032 1064735622 /nfs/dbraw/zinc/73/56/22/1064735622.db2.gz LNPHTKQWSGNKPL-NRFANRHFSA-N 1 0 485.633 2.732 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ncccc1C ZINC001292063051 1064735994 /nfs/dbraw/zinc/73/59/94/1064735994.db2.gz LVOXKAOZVAYBTI-JOCHJYFZSA-N 1 0 482.677 2.553 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@H](C)[NH+](C)C ZINC001292067211 1064745804 /nfs/dbraw/zinc/74/58/04/1064745804.db2.gz YSSJIOCBLDJIGD-INIZCTEOSA-N 1 0 461.586 2.729 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CCCC3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292069692 1064748319 /nfs/dbraw/zinc/74/83/19/1064748319.db2.gz GSEXVCZMGXXONR-FQEVSTJZSA-N 1 0 459.683 2.993 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080159 1064763511 /nfs/dbraw/zinc/76/35/11/1064763511.db2.gz NTKRURZZJZWCAH-SFTDATJTSA-N 1 0 457.615 2.501 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292086425 1064769640 /nfs/dbraw/zinc/76/96/40/1064769640.db2.gz SEYWXQZLZNJWJI-RXVVDRJESA-N 1 0 487.693 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001292088168 1064772103 /nfs/dbraw/zinc/77/21/03/1064772103.db2.gz DBSRPRRBMPYPJX-FGZHOGPDSA-N 1 0 475.682 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1Cc1ccc(N(C)C)nc1 ZINC001292090494 1064775199 /nfs/dbraw/zinc/77/51/99/1064775199.db2.gz PEPXAXSBUNBUHT-OAQYLSRUSA-N 1 0 468.650 2.770 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001292091436 1064778713 /nfs/dbraw/zinc/77/87/13/1064778713.db2.gz VKGFJGLQXHGAMW-CTNGQTDRSA-N 1 0 471.654 2.750 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC(C)(C)C(=O)NC ZINC001292092989 1064781390 /nfs/dbraw/zinc/78/13/90/1064781390.db2.gz CLEWQKGUHVUQNJ-FQEVSTJZSA-N 1 0 489.709 2.917 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CC1([NH+](C)C)CCC1 ZINC001292094270 1064784386 /nfs/dbraw/zinc/78/43/86/1064784386.db2.gz JXEFXHIPFOIZNR-GOSISDBHSA-N 1 0 456.639 2.798 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cc3noc(C)n3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292095404 1064787273 /nfs/dbraw/zinc/78/72/73/1064787273.db2.gz XQNFXDABUDZVIF-IEBWSBKVSA-N 1 0 472.638 2.831 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC001292098389 1064787996 /nfs/dbraw/zinc/78/79/96/1064787996.db2.gz QYNZYGSJHAOHNI-QWRGUYRKSA-N 1 0 451.207 2.676 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@H]32)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292101254 1064791794 /nfs/dbraw/zinc/79/17/94/1064791794.db2.gz MAKXQCJLJYZNKS-JAXLGGSGSA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001292105621 1064799654 /nfs/dbraw/zinc/79/96/54/1064799654.db2.gz NMODNNUUDASXQX-IBGZPJMESA-N 1 0 462.639 2.660 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1cccc(OC)c1 ZINC001292106232 1064803051 /nfs/dbraw/zinc/80/30/51/1064803051.db2.gz SOJCNSFGGQWRGG-UHFFFAOYSA-N 1 0 494.644 2.699 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292110181 1064810829 /nfs/dbraw/zinc/81/08/29/1064810829.db2.gz DYWXNMPTJNKVIJ-HXUWFJFHSA-N 1 0 487.674 2.561 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292110531 1064814220 /nfs/dbraw/zinc/81/42/20/1064814220.db2.gz JWXZVGWFBLBECD-QFIPXVFZSA-N 1 0 499.635 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292116624 1064838923 /nfs/dbraw/zinc/83/89/23/1064838923.db2.gz SFTXSWWYJWJIOK-QFIPXVFZSA-N 1 0 469.634 2.569 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001292117168 1064842584 /nfs/dbraw/zinc/84/25/84/1064842584.db2.gz IXHPISYYCGWCJS-UHFFFAOYSA-N 1 0 487.624 2.777 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@H](C)[NH+](C)C ZINC001292118067 1064847895 /nfs/dbraw/zinc/84/78/95/1064847895.db2.gz VVNYMPHNPPOGCO-INIZCTEOSA-N 1 0 463.577 2.751 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC[N@H+](CC)C1CC1 ZINC001292122765 1064858851 /nfs/dbraw/zinc/85/88/51/1064858851.db2.gz WBXFRPDXJQTJON-UHFFFAOYSA-N 1 0 490.722 2.684 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCOC[C@H]1OC ZINC001292123623 1064862193 /nfs/dbraw/zinc/86/21/93/1064862193.db2.gz HBBHOFCMMHGCLH-BGWNEDDSSA-N 1 0 498.672 2.959 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@H]1CCOC[C@@H]1OC ZINC001292123625 1064862385 /nfs/dbraw/zinc/86/23/85/1064862385.db2.gz HBBHOFCMMHGCLH-FJIJXJHWSA-N 1 0 498.672 2.959 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(C)nc1 ZINC001292123988 1064863449 /nfs/dbraw/zinc/86/34/49/1064863449.db2.gz BVGOYDOINOJFBC-LJQANCHMSA-N 1 0 469.634 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccoc1 ZINC001292124387 1064865308 /nfs/dbraw/zinc/86/53/08/1064865308.db2.gz DPMTZPGNWBTKTG-UHFFFAOYSA-N 1 0 471.650 2.833 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1ccc(CN2CCCC2=O)cc1 ZINC001292125414 1064869274 /nfs/dbraw/zinc/86/92/74/1064869274.db2.gz SHGRGHODSMEMCR-HXUWFJFHSA-N 1 0 495.672 2.898 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@]1(O)CCSC1 ZINC001292125481 1064870443 /nfs/dbraw/zinc/87/04/43/1064870443.db2.gz UXZVSVDCNQJPPN-RUZDIDTESA-N 1 0 486.686 2.695 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292126679 1064876932 /nfs/dbraw/zinc/87/69/32/1064876932.db2.gz NJZHSAOVELMGHX-GGAORHGYSA-N 1 0 489.709 2.618 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H]1CCO[C@H]1C(C)C ZINC001292126873 1064877907 /nfs/dbraw/zinc/87/79/07/1064877907.db2.gz QWNGTXXSKBHOFK-GMAHTHKFSA-N 1 0 490.693 2.806 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H]1CCO[C@H]1C(C)C ZINC001292126872 1064878104 /nfs/dbraw/zinc/87/81/04/1064878104.db2.gz QWNGTXXSKBHOFK-GGAORHGYSA-N 1 0 490.693 2.806 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCCc1nc(C)no1 ZINC001292127196 1064881011 /nfs/dbraw/zinc/88/10/11/1064881011.db2.gz ZKHTVFCEMVNKSZ-UHFFFAOYSA-N 1 0 472.638 2.975 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001292134069 1064891353 /nfs/dbraw/zinc/89/13/53/1064891353.db2.gz PIGAAULBQXAWPW-JXNPFXPLSA-N 1 0 486.686 2.798 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292134693 1064895339 /nfs/dbraw/zinc/89/53/39/1064895339.db2.gz VBPYQBBRHNXHCA-GGPKGHCWSA-N 1 0 489.665 2.594 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC001292142655 1064909998 /nfs/dbraw/zinc/90/99/98/1064909998.db2.gz ZCZHUMULWDQETA-GUDVDZBRSA-N 1 0 451.493 2.634 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](CC)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001292144463 1064915418 /nfs/dbraw/zinc/91/54/18/1064915418.db2.gz MLRIDOQUJRTAFJ-QFIPXVFZSA-N 1 0 454.619 2.870 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nccs3)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001292145254 1064918302 /nfs/dbraw/zinc/91/83/02/1064918302.db2.gz SQEJBKRCCNAEJL-MJGOQNOKSA-N 1 0 475.663 2.963 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292151286 1064929288 /nfs/dbraw/zinc/92/92/88/1064929288.db2.gz JTOOXKPPBDSQGG-VLCRHTCISA-N 1 0 499.635 2.696 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OC)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001292151755 1064930767 /nfs/dbraw/zinc/93/07/67/1064930767.db2.gz UJALFMLAWINGLO-OAQYLSRUSA-N 1 0 476.666 2.704 20 0 JFADRO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC001292156128 1064937659 /nfs/dbraw/zinc/93/76/59/1064937659.db2.gz SPTJSRMTVXMTOC-GLDPYIMESA-N 1 0 453.624 2.798 20 0 JFADRO CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)cn2c1 ZINC001292156897 1064938307 /nfs/dbraw/zinc/93/83/07/1064938307.db2.gz VHGDCECMCWVYDQ-LJQANCHMSA-N 1 0 457.575 2.686 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001292158735 1064939559 /nfs/dbraw/zinc/93/95/59/1064939559.db2.gz FJKFHEPFWBDPJZ-UXHICEINSA-N 1 0 489.665 2.882 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1)[NH+]1CCCC1 ZINC001292160790 1064943891 /nfs/dbraw/zinc/94/38/91/1064943891.db2.gz UPSZLDUFCQRJRN-OAQYLSRUSA-N 1 0 467.618 2.772 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(c2ccccc2F)C1)[NH+]1CCCC1 ZINC001292165476 1064952216 /nfs/dbraw/zinc/95/22/16/1064952216.db2.gz VNLFLLRWXIUUOX-HOYKHHGWSA-N 1 0 458.582 2.528 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@@H]21)[NH+]1CCCC1 ZINC001292169582 1064955552 /nfs/dbraw/zinc/95/55/52/1064955552.db2.gz BABHITVHAHDDLC-HAGHYFMRSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCCCC[C@@H]21)[NH+]1CCCC1 ZINC001292169586 1064956027 /nfs/dbraw/zinc/95/60/27/1064956027.db2.gz BABHITVHAHDDLC-NMLBUPMWSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC001292172398 1064959713 /nfs/dbraw/zinc/95/97/13/1064959713.db2.gz KDIZLLBDCBBCKK-KAGYGMCKSA-N 1 0 492.665 2.971 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC001292172399 1064959733 /nfs/dbraw/zinc/95/97/33/1064959733.db2.gz KDIZLLBDCBBCKK-RCZSKKKRSA-N 1 0 492.665 2.971 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001292172762 1064960229 /nfs/dbraw/zinc/96/02/29/1064960229.db2.gz BOBVRPRXZQYEIM-VQIMIIECSA-N 1 0 492.466 2.978 20 0 JFADRO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292173178 1064961256 /nfs/dbraw/zinc/96/12/56/1064961256.db2.gz PCUWVSVHTYFPIP-SXWKCWPCSA-N 1 0 484.645 2.506 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1)[NH+]1CCCC1 ZINC001292173316 1064961645 /nfs/dbraw/zinc/96/16/45/1064961645.db2.gz MTKUZHSCKWBIRG-YLJYHZDGSA-N 1 0 478.638 2.773 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001292173342 1064961657 /nfs/dbraw/zinc/96/16/57/1064961657.db2.gz NBNHUIHZPTYJQO-IEBWSBKVSA-N 1 0 452.669 2.945 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292184331 1064975236 /nfs/dbraw/zinc/97/52/36/1064975236.db2.gz CATJIIAKOWNNKG-OXFYSEKESA-N 1 0 479.984 2.972 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292186919 1064978849 /nfs/dbraw/zinc/97/88/49/1064978849.db2.gz UDJCBYJQPSAWDC-FPOVZHCZSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001292187518 1064979692 /nfs/dbraw/zinc/97/96/92/1064979692.db2.gz VSENJEZUDVARBG-LJQANCHMSA-N 1 0 491.036 2.777 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C)[NH+]1CCCC1 ZINC001292190141 1064981545 /nfs/dbraw/zinc/98/15/45/1064981545.db2.gz BDZFLGALTNIBQR-IBGZPJMESA-N 1 0 456.591 2.552 20 0 JFADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001292207469 1064995897 /nfs/dbraw/zinc/99/58/97/1064995897.db2.gz LHKYJNHISIPDHG-SJLPKXTDSA-N 1 0 454.545 2.626 20 0 JFADRO CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292208151 1064996847 /nfs/dbraw/zinc/99/68/47/1064996847.db2.gz OAFSRMQEIOCZND-AZUAARDMSA-N 1 0 472.638 2.999 20 0 JFADRO CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@H+](CC)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212054 1065002378 /nfs/dbraw/zinc/00/23/78/1065002378.db2.gz OKGZCGJWIMHWMU-DLBZAZTESA-N 1 0 489.621 2.840 20 0 JFADRO CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@H+](CC)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212056 1065002511 /nfs/dbraw/zinc/00/25/11/1065002511.db2.gz OKGZCGJWIMHWMU-IRXDYDNUSA-N 1 0 489.621 2.840 20 0 JFADRO CC[C@@H](Cn1c(C2CCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292214835 1065003516 /nfs/dbraw/zinc/00/35/16/1065003516.db2.gz AFIBXVLRXZNRBB-IBGZPJMESA-N 1 0 452.669 2.670 20 0 JFADRO CC[C@H](Cn1c(C2CCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292214837 1065003532 /nfs/dbraw/zinc/00/35/32/1065003532.db2.gz AFIBXVLRXZNRBB-LJQANCHMSA-N 1 0 452.669 2.670 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225104 1065011686 /nfs/dbraw/zinc/01/16/86/1065011686.db2.gz LTPDLTFXYDPMBB-PCCBWWKXSA-N 1 0 492.665 2.634 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)OC ZINC001292225255 1065012450 /nfs/dbraw/zinc/01/24/50/1065012450.db2.gz QICHHXABLIKTSK-WCIQWLHISA-N 1 0 480.654 2.930 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001292225872 1065013290 /nfs/dbraw/zinc/01/32/90/1065013290.db2.gz QEPHBDSIUBAGEG-FDFHNCONSA-N 1 0 475.659 2.564 20 0 JFADRO CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001292227231 1065015119 /nfs/dbraw/zinc/01/51/19/1065015119.db2.gz WFVIPOQRGNYHMF-QUCCMNQESA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)COC)CC1)[NH+]1CCCC1 ZINC001292229636 1065016962 /nfs/dbraw/zinc/01/69/62/1065016962.db2.gz GUFAORPMMFBMHY-LJQANCHMSA-N 1 0 490.599 2.753 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292229850 1065017258 /nfs/dbraw/zinc/01/72/58/1065017258.db2.gz IFUCSMAPRUJCIV-RXVVDRJESA-N 1 0 495.093 2.867 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292235242 1065019447 /nfs/dbraw/zinc/01/94/47/1065019447.db2.gz GANFYHQOLIPXSX-NHCUHLMSSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292236872 1065020889 /nfs/dbraw/zinc/02/08/89/1065020889.db2.gz QOEZQXPAJXEFDU-RTWAWAEBSA-N 1 0 475.659 2.765 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292242749 1065025246 /nfs/dbraw/zinc/02/52/46/1065025246.db2.gz XWELWSXSSRGVTM-FQEVSTJZSA-N 1 0 480.704 2.570 20 0 JFADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001292247955 1065030796 /nfs/dbraw/zinc/03/07/96/1065030796.db2.gz MWZHUVWWHSIUEW-RBBKRZOGSA-N 1 0 487.693 2.652 20 0 JFADRO CC[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001292251607 1065033437 /nfs/dbraw/zinc/03/34/37/1065033437.db2.gz JKXKSCMKNWCSSO-QFIPXVFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292252927 1065035227 /nfs/dbraw/zinc/03/52/27/1065035227.db2.gz VZHMYPHJFRSYEB-FQEVSTJZSA-N 1 0 461.632 2.583 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCCC1 ZINC001292253772 1065036289 /nfs/dbraw/zinc/03/62/89/1065036289.db2.gz BXWPBVARRFBYTM-HXUWFJFHSA-N 1 0 458.582 2.929 20 0 JFADRO CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001292254760 1065037183 /nfs/dbraw/zinc/03/71/83/1065037183.db2.gz MFNQTWOIZBKNER-OALUTQOASA-N 1 0 457.575 2.739 20 0 JFADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292255404 1065037564 /nfs/dbraw/zinc/03/75/64/1065037564.db2.gz NEEHTZFQZXJCRX-HAGHYFMRSA-N 1 0 489.665 2.590 20 0 JFADRO CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001292265036 1065044956 /nfs/dbraw/zinc/04/49/56/1065044956.db2.gz XCBMEJSYIPHOJU-HBMCJLEFSA-N 1 0 492.665 2.837 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001292266709 1065046406 /nfs/dbraw/zinc/04/64/06/1065046406.db2.gz GXEYOYGJVKCSDP-QGZVFWFLSA-N 1 0 481.439 2.888 20 0 JFADRO CCC(O)(CC)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001292284925 1065059292 /nfs/dbraw/zinc/05/92/92/1065059292.db2.gz QEJNUYXRKMDHNT-UHFFFAOYSA-N 1 0 470.666 2.781 20 0 JFADRO CCC(O)(CC)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001292288384 1065060884 /nfs/dbraw/zinc/06/08/84/1065060884.db2.gz APRPNROEHFCRMV-HSZRJFAPSA-N 1 0 482.673 2.747 20 0 JFADRO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292289765 1065061492 /nfs/dbraw/zinc/06/14/92/1065061492.db2.gz OLBRBRKYTWNIKT-RCZVLFRGSA-N 1 0 496.700 2.993 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001292332289 1065088235 /nfs/dbraw/zinc/08/82/35/1065088235.db2.gz RHPMOUKFVOPDLF-AWRGLXIESA-N 1 0 496.722 2.892 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001292347902 1065094986 /nfs/dbraw/zinc/09/49/86/1065094986.db2.gz XSQBHHYIYHKPNM-CROMWVBPSA-N 1 0 484.711 2.650 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001292355003 1065099505 /nfs/dbraw/zinc/09/95/05/1065099505.db2.gz CDAIZWCJQGCQIQ-VWLOTQADSA-N 1 0 467.618 2.785 20 0 JFADRO COCCn1cc(N2C[C@@H](C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC2=O)cn1 ZINC001292378234 1065121433 /nfs/dbraw/zinc/12/14/33/1065121433.db2.gz NWYILXFOMOPIAG-QFIPXVFZSA-N 1 0 453.587 2.575 20 0 JFADRO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC001292378727 1065122502 /nfs/dbraw/zinc/12/25/02/1065122502.db2.gz RWHLYIGHSLOPGC-LJQANCHMSA-N 1 0 459.612 2.652 20 0 JFADRO CCC1(CC)CN(c2nnc(-c3cnccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001292397273 1065135917 /nfs/dbraw/zinc/13/59/17/1065135917.db2.gz WCSCDWCJWFZZPC-UHFFFAOYSA-N 1 0 458.680 2.873 20 0 JFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(-c2ccccc2)cc1Br ZINC001292440602 1065167365 /nfs/dbraw/zinc/16/73/65/1065167365.db2.gz ZKWJLDDTNRPQCG-UHFFFAOYSA-N 1 0 451.365 2.980 20 0 JFADRO CCc1ccc([C@H](Cn2c(C3CC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)[NH+](C)C)cc1 ZINC001292456605 1065177875 /nfs/dbraw/zinc/17/78/75/1065177875.db2.gz GKJLSTUEOHQENG-QFIPXVFZSA-N 1 0 474.675 2.929 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C)nnc2N2CCN(c3nccc(OC)n3)CC2)[NH+](C)C)cc1 ZINC001292457333 1065179607 /nfs/dbraw/zinc/17/96/07/1065179607.db2.gz JYDMRGFJQYAXMV-OAQYLSRUSA-N 1 0 450.591 2.577 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C)n3)C2)[NH+](C)C)cc1 ZINC001292457713 1065180188 /nfs/dbraw/zinc/18/01/88/1065180188.db2.gz LIDNAGWRRDLYDX-SFTDATJTSA-N 1 0 496.616 2.551 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)[NH+](C)C)cc1 ZINC001292457985 1065180204 /nfs/dbraw/zinc/18/02/04/1065180204.db2.gz MYBLRCIJFPTDPM-NZQKXSOJSA-N 1 0 497.688 2.975 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3noc(C)n3)C2)[NH+](C)C)cc1 ZINC001292457712 1065180266 /nfs/dbraw/zinc/18/02/66/1065180266.db2.gz LIDNAGWRRDLYDX-RTWAWAEBSA-N 1 0 496.616 2.551 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459716 1065185398 /nfs/dbraw/zinc/18/53/98/1065185398.db2.gz FUFFBCYDXXQRIM-KMDXXIMOSA-N 1 0 484.645 2.726 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)[NH+](C)C)cc1 ZINC001292460526 1065188390 /nfs/dbraw/zinc/18/83/90/1065188390.db2.gz IDJABODKZLXYQC-VXKWHMMOSA-N 1 0 492.690 2.711 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](C)[C@@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479741 1065204158 /nfs/dbraw/zinc/20/41/58/1065204158.db2.gz TUJZQIJOTOBXCQ-XXBNENTESA-N 1 0 468.646 2.657 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C(=O)NCCOC)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC001292483948 1065205662 /nfs/dbraw/zinc/20/56/62/1065205662.db2.gz FPFAEHKPVISVAD-FQEVSTJZSA-N 1 0 468.646 2.971 20 0 JFADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC001292495601 1065213676 /nfs/dbraw/zinc/21/36/76/1065213676.db2.gz BYCAMGUKPOGIAF-XPWALMASSA-N 1 0 457.615 2.795 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292497260 1065215912 /nfs/dbraw/zinc/21/59/12/1065215912.db2.gz DNSKLASUSRQTEF-BJKOFHAPSA-N 1 0 470.662 2.774 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC001292497123 1065215953 /nfs/dbraw/zinc/21/59/53/1065215953.db2.gz AVXWOWJJISLKKX-OAQYLSRUSA-N 1 0 474.675 2.615 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292497270 1065216414 /nfs/dbraw/zinc/21/64/14/1065216414.db2.gz DNSKLASUSRQTEF-ZEQRLZLVSA-N 1 0 470.662 2.774 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292512930 1065231127 /nfs/dbraw/zinc/23/11/27/1065231127.db2.gz XPSQVDGQFNITGH-GGAORHGYSA-N 1 0 457.619 2.718 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001292513236 1065232684 /nfs/dbraw/zinc/23/26/84/1065232684.db2.gz ASENUZQFDZCXJZ-SANMLTNESA-N 1 0 468.646 2.659 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2CCC2(O)CCOCC2)cc1 ZINC001292520406 1065244932 /nfs/dbraw/zinc/24/49/32/1065244932.db2.gz INYCJIYXEVQEAZ-HSZRJFAPSA-N 1 0 471.646 2.986 20 0 JFADRO CCc1ccc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N3CC[NH+](CC)CC3)CCO2)cc1 ZINC001292536745 1065259188 /nfs/dbraw/zinc/25/91/88/1065259188.db2.gz KHSLTWUBPXSARY-ZJSXRUAMSA-N 1 0 497.688 2.583 20 0 JFADRO CCc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292547952 1065268494 /nfs/dbraw/zinc/26/84/94/1065268494.db2.gz INDASIHXSHFSDI-SFHVURJKSA-N 1 0 460.648 2.733 20 0 JFADRO CCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC001292552460 1065270011 /nfs/dbraw/zinc/27/00/11/1065270011.db2.gz UDHCKKLNFXSUSW-IAGOWNOFSA-N 1 0 466.677 2.625 20 0 JFADRO CCc1cccc2c(CCn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CC[N@@H+](CC)[C@@H](C)C3)c[nH]c21 ZINC001292567317 1065278398 /nfs/dbraw/zinc/27/83/98/1065278398.db2.gz ICFFGEAUBZCYPD-ZWKOTPCHSA-N 1 0 487.674 2.705 20 0 JFADRO CCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001292568557 1065280024 /nfs/dbraw/zinc/28/00/24/1065280024.db2.gz ZHDWZJPOWZXMKM-IBGZPJMESA-N 1 0 474.675 2.954 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@H+]1CC ZINC001292580767 1065297448 /nfs/dbraw/zinc/29/74/48/1065297448.db2.gz QIJIAHZFVQWYCD-PMACEKPBSA-N 1 0 461.632 2.527 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CC[NH+]1CCCC1 ZINC001292586583 1065302257 /nfs/dbraw/zinc/30/22/57/1065302257.db2.gz IYKSPRYAJNMHLM-NRFANRHFSA-N 1 0 454.619 2.820 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[NH+]1CCCCCC1 ZINC001292590162 1065307467 /nfs/dbraw/zinc/30/74/67/1065307467.db2.gz GHSJVVBFUKOXGA-FQEVSTJZSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](C)[NH+](C)C ZINC001292593954 1065314585 /nfs/dbraw/zinc/31/45/85/1065314585.db2.gz PWJVLTDMKYUWTD-FUHWJXTLSA-N 1 0 482.551 2.874 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[NH+]1CCSCC1 ZINC001292605604 1065330958 /nfs/dbraw/zinc/33/09/58/1065330958.db2.gz ZSHUAZSGNNJQEG-FQEVSTJZSA-N 1 0 473.643 2.858 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001292606604 1065331920 /nfs/dbraw/zinc/33/19/20/1065331920.db2.gz SBPYDAJRNHPYOL-CTNGQTDRSA-N 1 0 475.659 2.775 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292609855 1065336999 /nfs/dbraw/zinc/33/69/99/1065336999.db2.gz OXCKSRUAQGFRFI-IRLDBZIGSA-N 1 0 484.645 2.622 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001292614214 1065343099 /nfs/dbraw/zinc/34/30/99/1065343099.db2.gz DWYPIISYVYMAKJ-UYAOXDASSA-N 1 0 456.591 2.791 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1C[C@@H](C)[NH+](CC)CC ZINC001292614350 1065343562 /nfs/dbraw/zinc/34/35/62/1065343562.db2.gz ILLMEDVOHAFVDR-UYAOXDASSA-N 1 0 456.591 2.791 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292620244 1065357323 /nfs/dbraw/zinc/35/73/23/1065357323.db2.gz ZZKLAJVHEZYTQL-QPPBQGQZSA-N 1 0 498.672 2.881 20 0 JFADRO CCc1ccccc1OCc1nnc(Nc2cnn(C)c2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292623870 1065359768 /nfs/dbraw/zinc/35/97/68/1065359768.db2.gz GKGLZLRSTDKBIC-LJQANCHMSA-N 1 0 452.607 2.923 20 0 JFADRO CCc1cnc(CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(SC)CC[NH+](C)CC2)s1 ZINC001292632666 1065368730 /nfs/dbraw/zinc/36/87/30/1065368730.db2.gz OKLZDLBDDMPPHQ-UHFFFAOYSA-N 1 0 477.704 2.997 20 0 JFADRO CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)s1 ZINC001292642562 1065378569 /nfs/dbraw/zinc/37/85/69/1065378569.db2.gz WONITJYPLDNYND-ZWKOTPCHSA-N 1 0 480.704 2.956 20 0 JFADRO CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)s1 ZINC001292642560 1065378687 /nfs/dbraw/zinc/37/86/87/1065378687.db2.gz WONITJYPLDNYND-QZTJIDSGSA-N 1 0 480.704 2.956 20 0 JFADRO CCc1cnc(Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)s1 ZINC001292654999 1065389718 /nfs/dbraw/zinc/38/97/18/1065389718.db2.gz BIKRVLUTMMZXBG-UHFFFAOYSA-N 1 0 471.631 2.904 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCSCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001292659352 1065394392 /nfs/dbraw/zinc/39/43/92/1065394392.db2.gz DBMMFWULNALDGY-KDURUIRLSA-N 1 0 457.644 2.976 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 ZINC001292662373 1065398279 /nfs/dbraw/zinc/39/82/79/1065398279.db2.gz SYQOTDHZRSFWRW-CALCHBBNSA-N 1 0 451.637 2.798 20 0 JFADRO CN(C(=O)CNC(=O)c1cccc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001292667428 1065404391 /nfs/dbraw/zinc/40/43/91/1065404391.db2.gz GOQZRBWWZMFFTC-UHFFFAOYSA-N 1 0 459.388 2.739 20 0 JFADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001292676157 1065416171 /nfs/dbraw/zinc/41/61/71/1065416171.db2.gz CJGHYZUHXYMKQI-WZONZLPQSA-N 1 0 472.663 2.731 20 0 JFADRO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)o1 ZINC001292678058 1065416955 /nfs/dbraw/zinc/41/69/55/1065416955.db2.gz CBHMWGUYGTUHFO-HOTGVXAUSA-N 1 0 452.563 2.751 20 0 JFADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)ccc1OC ZINC001292689213 1065435430 /nfs/dbraw/zinc/43/54/30/1065435430.db2.gz YDQFSKAVAKIPMZ-DEOSSOPVSA-N 1 0 454.527 2.723 20 0 JFADRO O=C(NCCCNC(=O)C1CCC([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001292696138 1065445685 /nfs/dbraw/zinc/44/56/85/1065445685.db2.gz YBQFIRNKQLMTJZ-UHFFFAOYSA-N 1 0 452.393 2.576 20 0 JFADRO Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001292705382 1065460968 /nfs/dbraw/zinc/46/09/68/1065460968.db2.gz DWGYKBRWKALDLH-UHFFFAOYSA-N 1 0 453.543 2.803 20 0 JFADRO C[N@H+](CCOc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCC[C@H]3O)c1)C1CCOCC1 ZINC001292706703 1065461597 /nfs/dbraw/zinc/46/15/97/1065461597.db2.gz RUFNPHIPUCBJCO-HSZRJFAPSA-N 1 0 455.555 2.577 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001292721795 1065484213 /nfs/dbraw/zinc/48/42/13/1065484213.db2.gz YZJWHBPKNWHJDM-MRXNPFEDSA-N 1 0 483.708 2.808 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001292729548 1065490952 /nfs/dbraw/zinc/49/09/52/1065490952.db2.gz UCGVUAOSCKLFBZ-MSOLQXFVSA-N 1 0 480.704 2.956 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001292729871 1065492614 /nfs/dbraw/zinc/49/26/14/1065492614.db2.gz YJSSXHQLFPDLNI-HXUWFJFHSA-N 1 0 482.658 2.938 20 0 JFADRO CCc1nc(CN2CCN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCOCC3)CC2)cs1 ZINC001292753410 1065509528 /nfs/dbraw/zinc/50/95/28/1065509528.db2.gz MMNZPIMWXFNUBB-UHFFFAOYSA-N 1 0 461.680 2.853 20 0 JFADRO CCc1nc(CN2CCN(c3nnc(-c4cnccn4)n3C[C@@H](C)[NH+](CC)CC)CC2)cs1 ZINC001292756865 1065513262 /nfs/dbraw/zinc/51/32/62/1065513262.db2.gz SSZRTLRDISAJAX-GOSISDBHSA-N 1 0 469.663 2.807 20 0 JFADRO CC[NH+]1CCC(N(C)C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC001292763349 1065519849 /nfs/dbraw/zinc/51/98/49/1065519849.db2.gz AHOPHZPRYXITIP-XMMPIXPASA-N 1 0 451.567 2.829 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001292768658 1065523497 /nfs/dbraw/zinc/52/34/97/1065523497.db2.gz DMTAPZSCNPYBJK-MOPGFXCFSA-N 1 0 493.100 2.784 20 0 JFADRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC001292783461 1065543900 /nfs/dbraw/zinc/54/39/00/1065543900.db2.gz RCJSFTDSIZTGGJ-DEOSSOPVSA-N 1 0 459.612 2.552 20 0 JFADRO CCc1nnc(Cn2c(-c3cccc(OC)c3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292787026 1065550017 /nfs/dbraw/zinc/55/00/17/1065550017.db2.gz ZFBVJINIZKIYHM-SFHVURJKSA-N 1 0 471.631 2.963 20 0 JFADRO CCc1nnc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001292790243 1065550951 /nfs/dbraw/zinc/55/09/51/1065550951.db2.gz AHMZWBZHZKRMDW-UHFFFAOYSA-N 1 0 457.604 2.955 20 0 JFADRO CCc1nnc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)s1 ZINC001292790454 1065551369 /nfs/dbraw/zinc/55/13/69/1065551369.db2.gz HHNWBEOCWMRINQ-INIZCTEOSA-N 1 0 457.604 2.573 20 0 JFADRO CCc1nnc(Cn2c(CC)nnc2N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC001292796527 1065557054 /nfs/dbraw/zinc/55/70/54/1065557054.db2.gz QDFVIDGBFORJJA-UHFFFAOYSA-N 1 0 454.648 2.557 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292803154 1065560737 /nfs/dbraw/zinc/56/07/37/1065560737.db2.gz UPVKPGISVHMBIY-GBESFXJTSA-N 1 0 463.648 2.941 20 0 JFADRO CCc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292813119 1065563853 /nfs/dbraw/zinc/56/38/53/1065563853.db2.gz DIEOBUSXSIEFBK-ZCNNSNEGSA-N 1 0 456.639 2.624 20 0 JFADRO COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)c(OC)c1 ZINC001292817976 1065566579 /nfs/dbraw/zinc/56/65/79/1065566579.db2.gz YNNBMAFRLNLAJN-UHFFFAOYSA-N 1 0 452.555 2.828 20 0 JFADRO CCc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292862970 1065578304 /nfs/dbraw/zinc/57/83/04/1065578304.db2.gz DDQMRWXLNGKZQA-HXUWFJFHSA-N 1 0 462.664 2.684 20 0 JFADRO CCc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292863032 1065578661 /nfs/dbraw/zinc/57/86/61/1065578661.db2.gz FBLFIMSHSOIRCA-RTBURBONSA-N 1 0 452.603 2.941 20 0 JFADRO CCc1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001292868946 1065580233 /nfs/dbraw/zinc/58/02/33/1065580233.db2.gz AWIVCWRCPYJEKK-GOSISDBHSA-N 1 0 451.662 2.828 20 0 JFADRO C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)c2)C[C@H](C)O1 ZINC001292872689 1065581156 /nfs/dbraw/zinc/58/11/56/1065581156.db2.gz VQQJKHGIFQOQAL-OALUTQOASA-N 1 0 451.633 2.821 20 0 JFADRO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292876205 1065582217 /nfs/dbraw/zinc/58/22/17/1065582217.db2.gz OAVHUHTXPRGBAQ-GOSISDBHSA-N 1 0 453.591 2.873 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001292892224 1065589144 /nfs/dbraw/zinc/58/91/44/1065589144.db2.gz AYZUGLYUNCJEFX-CHZKFRDHSA-N 1 0 468.646 2.517 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893121 1065592348 /nfs/dbraw/zinc/59/23/48/1065592348.db2.gz LFWNMNDSNAAIBB-SIKLNZKXSA-N 1 0 454.619 2.585 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(C)cc1OC ZINC001292893122 1065592489 /nfs/dbraw/zinc/59/24/89/1065592489.db2.gz LFWNMNDSNAAIBB-UGKGYDQZSA-N 1 0 454.619 2.585 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893227 1065593542 /nfs/dbraw/zinc/59/35/42/1065593542.db2.gz MNVGJFVZPGNXEP-MJKJEIEMSA-N 1 0 460.667 2.815 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001292919250 1065605128 /nfs/dbraw/zinc/60/51/28/1065605128.db2.gz QXCRDBLMPDFCOF-UHFFFAOYSA-N 1 0 482.677 2.509 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001292924621 1065616822 /nfs/dbraw/zinc/61/68/22/1065616822.db2.gz YZBFIOVLDMDKTH-QFIPXVFZSA-N 1 0 473.710 2.589 20 0 JFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)C3=C(C)N(C)c4ncnn4[C@H]3C)CC2)c1C ZINC001292932382 1065621658 /nfs/dbraw/zinc/62/16/58/1065621658.db2.gz CNSYZCIKLAVZKB-SFHVURJKSA-N 1 0 453.591 2.706 20 0 JFADRO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292934151 1065624101 /nfs/dbraw/zinc/62/41/01/1065624101.db2.gz LFLBHCAZVXXWMH-QHCPKHFHSA-N 1 0 458.626 2.956 20 0 JFADRO COc1cc(CNC(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC[NH+](C)C ZINC001292942319 1065627715 /nfs/dbraw/zinc/62/77/15/1065627715.db2.gz QCNHGKGBSHPWKR-LJQANCHMSA-N 1 0 458.578 2.602 20 0 JFADRO CCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292961240 1065642151 /nfs/dbraw/zinc/64/21/51/1065642151.db2.gz BZOKOCGVUKTFDN-CEXWTWQISA-N 1 0 450.628 2.691 20 0 JFADRO CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3C[NH+](C)C)CC2)c1 ZINC001292966150 1065646661 /nfs/dbraw/zinc/64/66/61/1065646661.db2.gz JDFMJCWXZYAMFI-UHFFFAOYSA-N 1 0 457.596 2.668 20 0 JFADRO C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CC[NH+](C)CC1 ZINC001292967656 1065647247 /nfs/dbraw/zinc/64/72/47/1065647247.db2.gz ZVLLLLDVSAZDFC-ZDUSSCGKSA-N 1 0 457.415 2.935 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001292970319 1065650282 /nfs/dbraw/zinc/65/02/82/1065650282.db2.gz HIUNBYSMFUZSFP-LJQANCHMSA-N 1 0 462.664 2.611 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001292979173 1065660451 /nfs/dbraw/zinc/66/04/51/1065660451.db2.gz MWPSWOOMOBKMDO-LEWJYISDSA-N 1 0 456.635 2.921 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001292979175 1065660463 /nfs/dbraw/zinc/66/04/63/1065660463.db2.gz MWPSWOOMOBKMDO-RTWAWAEBSA-N 1 0 456.635 2.921 20 0 JFADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCCS(=O)(=O)c1ccccc1 ZINC001292979355 1065661378 /nfs/dbraw/zinc/66/13/78/1065661378.db2.gz RYXZPIKZSPXHLC-UHFFFAOYSA-N 1 0 488.702 2.699 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)c2ccc(Cn3ccc(C(F)(F)F)n3)cc2)CC1 ZINC001292984580 1065667349 /nfs/dbraw/zinc/66/73/49/1065667349.db2.gz FBHMNLKXVOPQLO-UHFFFAOYSA-N 1 0 452.477 2.955 20 0 JFADRO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001292985551 1065669490 /nfs/dbraw/zinc/66/94/90/1065669490.db2.gz HCWNBBDGIMGPQP-YLJYHZDGSA-N 1 0 458.578 2.875 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)CC1 ZINC001292987005 1065673264 /nfs/dbraw/zinc/67/32/64/1065673264.db2.gz OUMCEUXOAJPBJU-KRWDZBQOSA-N 1 0 455.525 2.620 20 0 JFADRO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292988350 1065675593 /nfs/dbraw/zinc/67/55/93/1065675593.db2.gz OQKMCWBOYOYTNS-UHFFFAOYSA-N 1 0 462.589 2.634 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001292993416 1065680850 /nfs/dbraw/zinc/68/08/50/1065680850.db2.gz OZOHNFHFWDNXQK-DEOSSOPVSA-N 1 0 452.640 2.720 20 0 JFADRO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293032939 1065702048 /nfs/dbraw/zinc/70/20/48/1065702048.db2.gz GIBDLDFTQDQQGW-FGZHOGPDSA-N 1 0 468.646 2.988 20 0 JFADRO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001293035846 1065704951 /nfs/dbraw/zinc/70/49/51/1065704951.db2.gz PUNWUVIDTQYPEJ-IBGZPJMESA-N 1 0 450.628 2.789 20 0 JFADRO CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293036145 1065705716 /nfs/dbraw/zinc/70/57/16/1065705716.db2.gz HFEMBDXPHAUICK-RBBKRZOGSA-N 1 0 464.618 2.849 20 0 JFADRO CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001293036985 1065706413 /nfs/dbraw/zinc/70/64/13/1065706413.db2.gz RRWAKPIVEFELIH-UXHICEINSA-N 1 0 480.704 2.989 20 0 JFADRO CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293044507 1065709464 /nfs/dbraw/zinc/70/94/64/1065709464.db2.gz KWPKSZNKTJZGGE-FGZHOGPDSA-N 1 0 453.635 2.864 20 0 JFADRO Cc1cccc(CS(=O)(=O)CCC(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001293066020 1065717004 /nfs/dbraw/zinc/71/70/04/1065717004.db2.gz UPXRDTFXOIOEJP-UHFFFAOYSA-N 1 0 457.640 2.576 20 0 JFADRO C[N@H+](CCN1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1)Cc1ccccc1 ZINC001293065598 1065717134 /nfs/dbraw/zinc/71/71/34/1065717134.db2.gz CLPJPSXOWKKOQE-HSZRJFAPSA-N 1 0 455.002 2.969 20 0 JFADRO CCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293067009 1065718916 /nfs/dbraw/zinc/71/89/16/1065718916.db2.gz YYTOFKBRSMSGSD-IRXDYDNUSA-N 1 0 462.668 2.605 20 0 JFADRO CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001293068382 1065720096 /nfs/dbraw/zinc/72/00/96/1065720096.db2.gz FUXYDANNCNWIQR-UHFFFAOYSA-N 1 0 459.683 2.630 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001293069857 1065722837 /nfs/dbraw/zinc/72/28/37/1065722837.db2.gz BUARLRMEYQBJBI-UHFFFAOYSA-N 1 0 478.523 2.779 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 ZINC001293071030 1065724139 /nfs/dbraw/zinc/72/41/39/1065724139.db2.gz GIUSUTLWRIINBR-NJDAHSKKSA-N 1 0 455.640 2.998 20 0 JFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001293076233 1065727498 /nfs/dbraw/zinc/72/74/98/1065727498.db2.gz HZZYVKAVCBUVOA-FQEVSTJZSA-N 1 0 455.607 2.531 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293081197 1065730627 /nfs/dbraw/zinc/73/06/27/1065730627.db2.gz HBPFGOHJRAVVMV-HDICACEKSA-N 1 0 460.648 2.752 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293081198 1065730790 /nfs/dbraw/zinc/73/07/90/1065730790.db2.gz HBPFGOHJRAVVMV-QZTJIDSGSA-N 1 0 460.648 2.752 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001293082996 1065733152 /nfs/dbraw/zinc/73/31/52/1065733152.db2.gz CYORDHIJEPGLJV-KRWDZBQOSA-N 1 0 466.508 2.530 20 0 JFADRO CCc1nnc(N2CCN(c3ncccc3F)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293111094 1065756636 /nfs/dbraw/zinc/75/66/36/1065756636.db2.gz KTBXFCMKJJGZDA-UHFFFAOYSA-N 1 0 453.566 2.690 20 0 JFADRO CCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001293115435 1065760769 /nfs/dbraw/zinc/76/07/69/1065760769.db2.gz AIEVXRLETFXWOX-IBGZPJMESA-N 1 0 462.639 2.789 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293121165 1065771496 /nfs/dbraw/zinc/77/14/96/1065771496.db2.gz YEYMPOPJRUNQLJ-FGZHOGPDSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001293121220 1065771758 /nfs/dbraw/zinc/77/17/58/1065771758.db2.gz MZDJDUITXSARRH-FYYLOGMGSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001293121321 1065772221 /nfs/dbraw/zinc/77/22/21/1065772221.db2.gz OJQLUSCIDNFTTH-UHFFFAOYSA-N 1 0 453.635 2.723 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001293121568 1065773250 /nfs/dbraw/zinc/77/32/50/1065773250.db2.gz RVBBCUKJKCUUQU-VXKWHMMOSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293123107 1065775631 /nfs/dbraw/zinc/77/56/31/1065775631.db2.gz FGIYTCBPZYYKOK-QFIPXVFZSA-N 1 0 470.662 2.667 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001293123670 1065776610 /nfs/dbraw/zinc/77/66/10/1065776610.db2.gz KXZAQKMCGCLFPP-HXUWFJFHSA-N 1 0 472.634 2.999 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001293124545 1065777168 /nfs/dbraw/zinc/77/71/68/1065777168.db2.gz VHYKVIPRYHCACU-JOCHJYFZSA-N 1 0 470.662 2.667 20 0 JFADRO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001293127244 1065778034 /nfs/dbraw/zinc/77/80/34/1065778034.db2.gz JKQYJXCRIRYRHV-NRFANRHFSA-N 1 0 475.037 2.700 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C ZINC001293130525 1065781537 /nfs/dbraw/zinc/78/15/37/1065781537.db2.gz HVUFDGQTPUQYEI-WMTXJRDZSA-N 1 0 476.710 2.913 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 ZINC001293130976 1065782729 /nfs/dbraw/zinc/78/27/29/1065782729.db2.gz NXNALVREVHSXRY-CTNGQTDRSA-N 1 0 454.619 2.576 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(OC)c(Br)c1 ZINC001293132747 1065784383 /nfs/dbraw/zinc/78/43/83/1065784383.db2.gz YNIMWAKTISONBT-KRWDZBQOSA-N 1 0 464.408 2.818 20 0 JFADRO CCc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293135198 1065785936 /nfs/dbraw/zinc/78/59/36/1065785936.db2.gz AXKJWTOVSUQNED-FQEVSTJZSA-N 1 0 477.053 2.663 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001293138861 1065789271 /nfs/dbraw/zinc/78/92/71/1065789271.db2.gz KNIKKKSTJHIUDO-HXUWFJFHSA-N 1 0 460.648 2.534 20 0 JFADRO CCc1nnc(N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001293161626 1065798508 /nfs/dbraw/zinc/79/85/08/1065798508.db2.gz QWIJOVKUTTXIRD-HSZRJFAPSA-N 1 0 467.618 2.548 20 0 JFADRO CCc1nnc(N2C[C@@H](CC3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001293177327 1065802296 /nfs/dbraw/zinc/80/22/96/1065802296.db2.gz IXXYWUJKAMIZQI-FGZHOGPDSA-N 1 0 489.709 2.998 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293185331 1065809944 /nfs/dbraw/zinc/80/99/44/1065809944.db2.gz QJXMLTMYBCSSSA-XUVXKRRUSA-N 1 0 474.654 2.587 20 0 JFADRO CCc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001293186472 1065811410 /nfs/dbraw/zinc/81/14/10/1065811410.db2.gz FDXNMJYZKDJUOS-UHFFFAOYSA-N 1 0 487.649 2.652 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc(C(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)n1 ZINC001293208061 1065836789 /nfs/dbraw/zinc/83/67/89/1065836789.db2.gz NUDHSKNOCXWZRY-UHFFFAOYSA-N 1 0 476.695 2.767 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(Cc4ccncc4)n3CC[N@@H+](C)[C@@H](C)CC)CC2)n1 ZINC001293208516 1065839906 /nfs/dbraw/zinc/83/99/06/1065839906.db2.gz PLYKATOXRIZOQO-SFHVURJKSA-N 1 0 469.663 2.735 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(CC)n3CC[N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001293208819 1065841008 /nfs/dbraw/zinc/84/10/08/1065841008.db2.gz SFDDXFPZEQLQQX-UHFFFAOYSA-N 1 0 458.611 2.852 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001293209129 1065842491 /nfs/dbraw/zinc/84/24/91/1065842491.db2.gz VOEWVHPVDACPSH-INIZCTEOSA-N 1 0 456.620 2.644 20 0 JFADRO Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c2)cc1 ZINC001293210352 1065845928 /nfs/dbraw/zinc/84/59/28/1065845928.db2.gz CNERUPHDSGZVPP-NRFANRHFSA-N 1 0 456.612 2.694 20 0 JFADRO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c2)c1 ZINC001293211862 1065847067 /nfs/dbraw/zinc/84/70/67/1065847067.db2.gz YFCDATLXULPSBI-OAQYLSRUSA-N 1 0 456.612 2.694 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293216611 1065855275 /nfs/dbraw/zinc/85/52/75/1065855275.db2.gz JJUVPEWMVTWDOJ-VQQMMKBISA-N 1 0 488.608 2.771 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293218872 1065863813 /nfs/dbraw/zinc/86/38/13/1065863813.db2.gz PWNDQMTYZPTIGE-UNIVCBNLSA-N 1 0 484.645 2.554 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293219935 1065868642 /nfs/dbraw/zinc/86/86/42/1065868642.db2.gz XXQCRGAPAFEMMK-TZMCWYRMSA-N 1 0 467.437 2.967 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220519 1065871327 /nfs/dbraw/zinc/87/13/27/1065871327.db2.gz RTHSZBCEYRDOLH-YJBOKZPZSA-N 1 0 478.439 2.871 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001293221264 1065874934 /nfs/dbraw/zinc/87/49/34/1065874934.db2.gz XPQHZGQPWKLKHQ-OAQYLSRUSA-N 1 0 490.612 2.530 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[NH+]1CCCCC1 ZINC001293221412 1065875774 /nfs/dbraw/zinc/87/57/74/1065875774.db2.gz YXIIPGDKDRWSEP-OAQYLSRUSA-N 1 0 456.591 2.553 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001293226534 1065878912 /nfs/dbraw/zinc/87/89/12/1065878912.db2.gz AUPJHMJVRIWZFB-WOJBJXKFSA-N 1 0 470.618 2.940 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([NH+](C)C)CCCC1 ZINC001293229539 1065885635 /nfs/dbraw/zinc/88/56/35/1065885635.db2.gz VSJRHVXMNZHCHZ-SFHVURJKSA-N 1 0 456.591 2.552 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001293231457 1065889411 /nfs/dbraw/zinc/88/94/11/1065889411.db2.gz HDZNEIZJRSQGMT-RTBURBONSA-N 1 0 491.681 2.695 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293241729 1065901786 /nfs/dbraw/zinc/90/17/86/1065901786.db2.gz FGVIXPVXIFPGPH-YKSBVNFPSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293242390 1065903412 /nfs/dbraw/zinc/90/34/12/1065903412.db2.gz KJZQMLUEPJBSEX-RDPSFJRHSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293242389 1065903523 /nfs/dbraw/zinc/90/35/23/1065903523.db2.gz KJZQMLUEPJBSEX-HYBUGGRVSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293243363 1065906278 /nfs/dbraw/zinc/90/62/78/1065906278.db2.gz SBXCUCNUKASLAI-WOJBJXKFSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCCC1 ZINC001293244256 1065907830 /nfs/dbraw/zinc/90/78/30/1065907830.db2.gz CTEHNFWANUFFGE-UXHICEINSA-N 1 0 489.665 2.941 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293244064 1065907863 /nfs/dbraw/zinc/90/78/63/1065907863.db2.gz VIILAMVNJJREQF-GMAHTHKFSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC(C)(C)C[NH+](C)C ZINC001293247453 1065911863 /nfs/dbraw/zinc/91/18/63/1065911863.db2.gz NBEWIOOTMULWJF-KRWDZBQOSA-N 1 0 460.648 2.882 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001293253032 1065917290 /nfs/dbraw/zinc/91/72/90/1065917290.db2.gz SYQKSKMQUGIAGZ-NHCUHLMSSA-N 1 0 468.650 2.968 20 0 JFADRO COc1c(N)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc(Cl)c1Br ZINC001293254647 1065918982 /nfs/dbraw/zinc/91/89/82/1065918982.db2.gz ROEBTXPQKDRAOJ-ZDUSSCGKSA-N 1 0 459.816 2.934 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001293260033 1065923060 /nfs/dbraw/zinc/92/30/60/1065923060.db2.gz VYRMFXSHDVDKJS-FCGDIQPGSA-N 1 0 464.636 2.943 20 0 JFADRO O=C(Cc1csc2ccc(Br)cc12)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001293280390 1065931709 /nfs/dbraw/zinc/93/17/09/1065931709.db2.gz DRNWWDIKEPGPMP-KRWDZBQOSA-N 1 0 452.418 2.729 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293301259 1065941722 /nfs/dbraw/zinc/94/17/22/1065941722.db2.gz JNYVZFUHCZBNTR-PZJWPPBQSA-N 1 0 488.702 2.999 20 0 JFADRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCCC1 ZINC001293301278 1065942032 /nfs/dbraw/zinc/94/20/32/1065942032.db2.gz KAMOBIORWFLQRE-ICSRJNTNSA-N 1 0 460.648 2.916 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(Cc2ccccn2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293316118 1065946056 /nfs/dbraw/zinc/94/60/56/1065946056.db2.gz OBHNAICQUIPZFU-FCEUIQTBSA-N 1 0 453.635 2.831 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001293320385 1065947503 /nfs/dbraw/zinc/94/75/03/1065947503.db2.gz HTQUSKTXINQCDA-PLACYPQZSA-N 1 0 496.722 2.746 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293330193 1065951437 /nfs/dbraw/zinc/95/14/37/1065951437.db2.gz KIDLHUOAVSZIBL-KURKYZTESA-N 1 0 464.636 2.943 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293330880 1065951931 /nfs/dbraw/zinc/95/19/31/1065951931.db2.gz FWVRMQOYNJWTLN-RBUKOAKNSA-N 1 0 473.691 2.920 20 0 JFADRO CC[C@H]1CC2(CCC2)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@H+](C)C(C)C ZINC001293337548 1065955008 /nfs/dbraw/zinc/95/50/08/1065955008.db2.gz YRXGPIIQUGMSRL-VQTJNVASSA-N 1 0 482.695 2.500 20 0 JFADRO NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCc3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC001293339600 1065955708 /nfs/dbraw/zinc/95/57/08/1065955708.db2.gz OWPMNQCEBJYKEH-QFIPXVFZSA-N 1 0 450.583 2.793 20 0 JFADRO CN(CCC(=O)NC[C@H]1C[N@H+](C)CCN1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350003 1065960113 /nfs/dbraw/zinc/96/01/13/1065960113.db2.gz LGHOFYOIVFVSCM-IBGZPJMESA-N 1 0 450.583 2.619 20 0 JFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352638 1065961061 /nfs/dbraw/zinc/96/10/61/1065961061.db2.gz YBFSTDDQJIHYSB-RTBURBONSA-N 1 0 452.640 2.909 20 0 JFADRO CN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC001293353148 1065961525 /nfs/dbraw/zinc/96/15/25/1065961525.db2.gz RGQONSYZMQLSHW-UHFFFAOYSA-N 1 0 459.490 2.587 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293358441 1065963541 /nfs/dbraw/zinc/96/35/41/1065963541.db2.gz GSENXMQCMJDPRW-LJQANCHMSA-N 1 0 477.654 2.738 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 ZINC001293361339 1065964980 /nfs/dbraw/zinc/96/49/80/1065964980.db2.gz VAFYBYNXKZAZHG-IBGZPJMESA-N 1 0 474.679 2.854 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361470 1065965665 /nfs/dbraw/zinc/96/56/65/1065965665.db2.gz AIVGBUWAIKTMLP-JYLXEMOASA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293362093 1065965970 /nfs/dbraw/zinc/96/59/70/1065965970.db2.gz CUSXBDQGEGQQGU-KNKQGSTJSA-N 1 0 470.684 2.548 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001293365207 1065970044 /nfs/dbraw/zinc/97/00/44/1065970044.db2.gz SBTZZQOHDZEKEQ-UXHICEINSA-N 1 0 461.010 2.814 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001293365631 1065970900 /nfs/dbraw/zinc/97/09/00/1065970900.db2.gz NZIURAPEQQJKHF-OAQYLSRUSA-N 1 0 454.619 2.813 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C ZINC001293366605 1065971495 /nfs/dbraw/zinc/97/14/95/1065971495.db2.gz WUTCCDUVDVAVOK-FQEVSTJZSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368941 1065972005 /nfs/dbraw/zinc/97/20/05/1065972005.db2.gz AIBPKJVNVRDKFI-IAGOWNOFSA-N 1 0 482.555 2.882 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC001293369513 1065973075 /nfs/dbraw/zinc/97/30/75/1065973075.db2.gz HJJBNNMJZBJUGC-LEUBFCFVSA-N 1 0 472.659 2.868 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 ZINC001293369568 1065973304 /nfs/dbraw/zinc/97/33/04/1065973304.db2.gz IELQRVUGWJPXOT-NJDAHSKKSA-N 1 0 482.695 2.502 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 ZINC001293369569 1065973354 /nfs/dbraw/zinc/97/33/54/1065973354.db2.gz IELQRVUGWJPXOT-NJYVYQBISA-N 1 0 482.695 2.502 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 ZINC001293369570 1065973410 /nfs/dbraw/zinc/97/34/10/1065973410.db2.gz IELQRVUGWJPXOT-PWRODBHTSA-N 1 0 482.695 2.502 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001293371278 1065974049 /nfs/dbraw/zinc/97/40/49/1065974049.db2.gz DSUMSYRTZGTLDU-VQTJNVASSA-N 1 0 480.704 2.912 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293371361 1065974375 /nfs/dbraw/zinc/97/43/75/1065974375.db2.gz FINOHJTWYIJSNU-GMAHTHKFSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293371359 1065974495 /nfs/dbraw/zinc/97/44/95/1065974495.db2.gz FINOHJTWYIJSNU-FYYLOGMGSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293371362 1065974604 /nfs/dbraw/zinc/97/46/04/1065974604.db2.gz FINOHJTWYIJSNU-JTHBVZDNSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001293371580 1065974629 /nfs/dbraw/zinc/97/46/29/1065974629.db2.gz NFGFFOBSZFNPFJ-RBUKOAKNSA-N 1 0 454.685 2.601 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293372253 1065975531 /nfs/dbraw/zinc/97/55/31/1065975531.db2.gz JCFCGPHTONSTMW-SFTDATJTSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372995 1065976398 /nfs/dbraw/zinc/97/63/98/1065976398.db2.gz LVXFWGTXQJGTPA-NHCUHLMSSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293373042 1065976445 /nfs/dbraw/zinc/97/64/45/1065976445.db2.gz MGYVEQLCHGPMNJ-GMAHTHKFSA-N 1 0 489.686 2.960 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001293372974 1065976491 /nfs/dbraw/zinc/97/64/91/1065976491.db2.gz LKXMFFIRIFFXFV-OAQYLSRUSA-N 1 0 454.619 2.615 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374260 1065980219 /nfs/dbraw/zinc/98/02/19/1065980219.db2.gz VLZSQFZDCRBDIC-GOTSBHOMSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293375099 1065981218 /nfs/dbraw/zinc/98/12/18/1065981218.db2.gz ZYMZNMVIFLEKHO-TXTKFYIRSA-N 1 0 467.680 2.840 20 0 JFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001293377381 1065981758 /nfs/dbraw/zinc/98/17/58/1065981758.db2.gz TZJWEOCSUWGYOT-IHPCNDPISA-N 1 0 451.612 2.581 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293378782 1065982587 /nfs/dbraw/zinc/98/25/87/1065982587.db2.gz LUDRTQYDLIFUCY-CBPXPLCBSA-N 1 0 497.706 2.670 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293379840 1065984588 /nfs/dbraw/zinc/98/45/88/1065984588.db2.gz UYJMEPBUMAWCQP-OALUTQOASA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001293380525 1065984939 /nfs/dbraw/zinc/98/49/39/1065984939.db2.gz ZQZSOWPYXIAGCG-OAQYLSRUSA-N 1 0 470.618 2.799 20 0 JFADRO Cc1ccc(C(=O)NCCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)c(O)c1 ZINC001293423613 1066002353 /nfs/dbraw/zinc/00/23/53/1066002353.db2.gz ZACQEXPKFKKOGI-UHFFFAOYSA-N 1 0 453.543 2.675 20 0 JFADRO CC[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293432594 1066004926 /nfs/dbraw/zinc/00/49/26/1066004926.db2.gz WOIQHISTLUGSBU-FSSWDIPSSA-N 1 0 490.674 2.601 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+](C)CCOC)C1 ZINC001293482020 1066020258 /nfs/dbraw/zinc/02/02/58/1066020258.db2.gz BPWBCMGTNRMGFT-UXHICEINSA-N 1 0 480.654 2.791 20 0 JFADRO NC(=O)c1ccn(-c2ccccc2NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)n1 ZINC001293485668 1066022941 /nfs/dbraw/zinc/02/29/41/1066022941.db2.gz VEEJPEOFENUKTO-UHFFFAOYSA-N 1 0 452.946 2.775 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](C)O1 ZINC001293506484 1066030280 /nfs/dbraw/zinc/03/02/80/1066030280.db2.gz CXHZYWGCMFYYTJ-NQIIRXRSSA-N 1 0 454.619 2.519 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC001293506697 1066030748 /nfs/dbraw/zinc/03/07/48/1066030748.db2.gz FQVSGXSBCQMNCP-JOCHJYFZSA-N 1 0 484.645 2.757 20 0 JFADRO CC[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+](C)CCOC)C1 ZINC001293508925 1066033062 /nfs/dbraw/zinc/03/30/62/1066033062.db2.gz WVFQOGMQTCNJKW-GBESFXJTSA-N 1 0 450.628 2.863 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@@H+]1CCOC ZINC001293523000 1066044424 /nfs/dbraw/zinc/04/44/24/1066044424.db2.gz HJNRVRJTSRXAKQ-IEBWSBKVSA-N 1 0 489.024 2.795 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC001293525853 1066046731 /nfs/dbraw/zinc/04/67/31/1066046731.db2.gz QVZHTYMDIYQZHL-UXHICEINSA-N 1 0 467.680 2.979 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001293529884 1066049336 /nfs/dbraw/zinc/04/93/36/1066049336.db2.gz BPIAORRXQHYJIO-NLFFAJNJSA-N 1 0 479.666 2.823 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cc(C)nn2C)CC[N@@H+]1CCOC ZINC001293536788 1066054007 /nfs/dbraw/zinc/05/40/07/1066054007.db2.gz FPNQEDPAGYRQOT-KRWDZBQOSA-N 1 0 491.438 2.673 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001293537238 1066054321 /nfs/dbraw/zinc/05/43/21/1066054321.db2.gz IUIROEIEZKLFTG-ZWKOTPCHSA-N 1 0 481.439 2.888 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(CC)c2)CC[N@@H+]1CCOC ZINC001293537502 1066054761 /nfs/dbraw/zinc/05/47/61/1066054761.db2.gz NFWQPLDYKDVWHC-SFHVURJKSA-N 1 0 491.438 2.847 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001293539893 1066058851 /nfs/dbraw/zinc/05/88/51/1066058851.db2.gz MPYJHVMZIBYCRR-FQEVSTJZSA-N 1 0 461.632 2.696 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293552405 1066067549 /nfs/dbraw/zinc/06/75/49/1066067549.db2.gz NTPXMJBHLDDZMZ-ZWKOTPCHSA-N 1 0 467.973 2.700 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)CCOC)C[C@@H]1N1CCOCC1 ZINC001293553598 1066068244 /nfs/dbraw/zinc/06/82/44/1066068244.db2.gz QWYFXHNLWALGLF-AVRDEDQJSA-N 1 0 495.043 2.863 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS[C@H](CC)C1 ZINC001293555111 1066069062 /nfs/dbraw/zinc/06/90/62/1066069062.db2.gz IRYQISWKEFWGCC-FXAWDEMLSA-N 1 0 455.636 2.983 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001293556006 1066070146 /nfs/dbraw/zinc/07/01/46/1066070146.db2.gz ZJHDVUWWFRNLSF-SLFFLAALSA-N 1 0 494.036 2.694 20 0 JFADRO C[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001293558697 1066072466 /nfs/dbraw/zinc/07/24/66/1066072466.db2.gz SCPQGJLIWOUHFH-SFHVURJKSA-N 1 0 458.603 2.916 20 0 JFADRO CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001293558896 1066072816 /nfs/dbraw/zinc/07/28/16/1066072816.db2.gz WEGFKEBOGDLQKE-UHFFFAOYSA-N 1 0 458.509 2.879 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NC)CC[N@@H+]1CCOC ZINC001293559231 1066073361 /nfs/dbraw/zinc/07/33/61/1066073361.db2.gz WACNFRFZSZSVQB-FQEVSTJZSA-N 1 0 479.629 2.813 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)C(C)C)CC[N@@H+]1CCOC ZINC001293559919 1066074763 /nfs/dbraw/zinc/07/47/63/1066074763.db2.gz GNPQIKIJNOVXCS-OAQYLSRUSA-N 1 0 479.629 2.813 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@@H+]1CCOC ZINC001293567671 1066080532 /nfs/dbraw/zinc/08/05/32/1066080532.db2.gz KGVKISQBODNEEN-JOCHJYFZSA-N 1 0 463.586 2.894 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)c(OC)c2)CC[N@@H+]1CCOC ZINC001293574589 1066085428 /nfs/dbraw/zinc/08/54/28/1066085428.db2.gz FYVJVOITISSTTP-JOCHJYFZSA-N 1 0 467.618 2.785 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001293576524 1066087034 /nfs/dbraw/zinc/08/70/34/1066087034.db2.gz ALACXAOIBHOPGU-GBESFXJTSA-N 1 0 477.679 2.972 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCN(C)CC(F)(F)F)CC[N@@H+]1CCOC ZINC001293577094 1066087338 /nfs/dbraw/zinc/08/73/38/1066087338.db2.gz DCVOKBMMONIRIQ-GOSISDBHSA-N 1 0 469.556 2.690 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293577577 1066087638 /nfs/dbraw/zinc/08/76/38/1066087638.db2.gz FVDIXOMDLFSEFT-BVFVYWQFSA-N 1 0 499.660 2.845 20 0 JFADRO 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CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293787835 1066294188 /nfs/dbraw/zinc/29/41/88/1066294188.db2.gz DXPSSJNJBOHBOH-FCHUYYIVSA-N 1 0 490.693 2.888 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001293787958 1066294609 /nfs/dbraw/zinc/29/46/09/1066294609.db2.gz FFOQTGCAAGVXGV-QHAWAJNXSA-N 1 0 487.693 2.872 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001293789163 1066297035 /nfs/dbraw/zinc/29/70/35/1066297035.db2.gz NOAHFIHPHBSJHZ-BVSLBCMMSA-N 1 0 487.693 2.872 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293804350 1066313552 /nfs/dbraw/zinc/31/35/52/1066313552.db2.gz BIOIRQNHERGLEL-WMZHIEFXSA-N 1 0 462.042 2.761 20 0 JFADRO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293818874 1066326708 /nfs/dbraw/zinc/32/67/08/1066326708.db2.gz ASPTXHOAKTXYCX-WPWBMXPQSA-N 1 0 460.667 2.866 20 0 JFADRO CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001293820230 1066327268 /nfs/dbraw/zinc/32/72/68/1066327268.db2.gz FQSSPGMRHGCAPR-VWLOTQADSA-N 1 0 470.666 2.970 20 0 JFADRO CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001293821787 1066329529 /nfs/dbraw/zinc/32/95/29/1066329529.db2.gz VODUJEIXLIPKRN-YKSBVNFPSA-N 1 0 458.582 2.632 20 0 JFADRO CCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293824950 1066333441 /nfs/dbraw/zinc/33/34/41/1066333441.db2.gz YJBIMMKSICNDQS-CLOONOSVSA-N 1 0 476.616 2.914 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001293856479 1066363887 /nfs/dbraw/zinc/36/38/87/1066363887.db2.gz MQXIKWJKDWAZNJ-NRFANRHFSA-N 1 0 476.629 2.918 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3c4ccccc4C(=O)OC3(C)C)CC2)CC1 ZINC001293861971 1066371336 /nfs/dbraw/zinc/37/13/36/1066371336.db2.gz VXHYQQJQWFBLRP-QHCPKHFHSA-N 1 0 455.599 2.901 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001293865420 1066375745 /nfs/dbraw/zinc/37/57/45/1066375745.db2.gz UEMHULIMDZUVMV-FUDKSRODSA-N 1 0 495.672 2.882 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001293868643 1066381470 /nfs/dbraw/zinc/38/14/70/1066381470.db2.gz PKWQFRZHJQMGBL-LEWJYISDSA-N 1 0 483.661 2.506 20 0 JFADRO O=C(CCOC1CCOCC1)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC001293911712 1066398022 /nfs/dbraw/zinc/39/80/22/1066398022.db2.gz IXVYLLNSTHCKBR-UHFFFAOYSA-N 1 0 455.393 2.994 20 0 JFADRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC001293928902 1066409038 /nfs/dbraw/zinc/40/90/38/1066409038.db2.gz SVLWCUWPRZVKGN-UHFFFAOYSA-N 1 0 451.976 2.717 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCC2)C1 ZINC001293930739 1066409354 /nfs/dbraw/zinc/40/93/54/1066409354.db2.gz DSZZQDBLCWMCLD-SFTDATJTSA-N 1 0 473.666 2.521 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001293934463 1066415811 /nfs/dbraw/zinc/41/58/11/1066415811.db2.gz XZXYBCORMBPTIB-RTWAWAEBSA-N 1 0 487.693 2.910 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCC2)C1 ZINC001293943769 1066432058 /nfs/dbraw/zinc/43/20/58/1066432058.db2.gz HAMSXBIJUAQUPX-NHCUHLMSSA-N 1 0 487.693 2.796 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293949224 1066448239 /nfs/dbraw/zinc/44/82/39/1066448239.db2.gz ZIVUPRHERHCIQC-BDTNDASRSA-N 1 0 490.693 2.539 20 0 JFADRO CCC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001293981540 1066485035 /nfs/dbraw/zinc/48/50/35/1066485035.db2.gz HGHPMRYIZGOJBZ-XZOQPEGZSA-N 1 0 455.651 2.684 20 0 JFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1I ZINC001293981794 1066485966 /nfs/dbraw/zinc/48/59/66/1066485966.db2.gz JOSCWCNPUBLNHS-IBGZPJMESA-N 1 0 454.283 2.797 20 0 JFADRO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001293990940 1066493622 /nfs/dbraw/zinc/49/36/22/1066493622.db2.gz BDDSZXUTANHOMI-OALUTQOASA-N 1 0 455.607 2.930 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001294025852 1066513287 /nfs/dbraw/zinc/51/32/87/1066513287.db2.gz UVQDBBYUVXLOGL-NRFANRHFSA-N 1 0 457.596 2.538 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001294054492 1066526233 /nfs/dbraw/zinc/52/62/33/1066526233.db2.gz IBEAHHLLDVBGME-FQEVSTJZSA-N 1 0 460.648 2.869 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2F)CC[N@@H+]1CCOC ZINC001294054856 1066527527 /nfs/dbraw/zinc/52/75/27/1066527527.db2.gz PAZWCTZHBIREOV-IBGZPJMESA-N 1 0 464.561 2.680 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001294055661 1066529223 /nfs/dbraw/zinc/52/92/23/1066529223.db2.gz FHESTTHUBPTAIH-OPJGWUQDSA-N 1 0 473.618 2.889 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@@H+]1CCOC ZINC001294059400 1066531906 /nfs/dbraw/zinc/53/19/06/1066531906.db2.gz YDSCICKWDQGBDT-IQNGYNMSSA-N 1 0 484.711 2.823 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@@H+]1CCOC ZINC001294059399 1066531959 /nfs/dbraw/zinc/53/19/59/1066531959.db2.gz YDSCICKWDQGBDT-ADEKHHIBSA-N 1 0 484.711 2.823 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294065674 1066536140 /nfs/dbraw/zinc/53/61/40/1066536140.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 1 0 456.635 2.603 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001294066816 1066536771 /nfs/dbraw/zinc/53/67/71/1066536771.db2.gz FDYQYWOWEHBJPL-FQEVSTJZSA-N 1 0 461.632 2.696 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC[N@@H+]1CCOC ZINC001294072593 1066541647 /nfs/dbraw/zinc/54/16/47/1066541647.db2.gz HCUUYLNZYMLARA-DVECYGJZSA-N 1 0 454.575 2.778 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CC[N@@H+]1CCOC ZINC001294073091 1066542061 /nfs/dbraw/zinc/54/20/61/1066542061.db2.gz JQWOJRDOPQOUHY-OAQYLSRUSA-N 1 0 464.618 2.787 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CC[N@@H+]1CCOC ZINC001294074522 1066543343 /nfs/dbraw/zinc/54/33/43/1066543343.db2.gz RZNIVLAHYOHKFT-GOSISDBHSA-N 1 0 456.570 2.681 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CC[N@@H+]1CCOC ZINC001294074549 1066543673 /nfs/dbraw/zinc/54/36/73/1066543673.db2.gz SJFSOTMUUYWXQE-OAQYLSRUSA-N 1 0 469.634 2.726 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC[N@@H+]1CCOC ZINC001294075507 1066544097 /nfs/dbraw/zinc/54/40/97/1066544097.db2.gz ADWOLNQBLPTJHJ-TUNNFDKTSA-N 1 0 457.623 2.733 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CC[N@@H+]1CCOC ZINC001294077391 1066546334 /nfs/dbraw/zinc/54/63/34/1066546334.db2.gz OKLCAWACZCXYDB-GOSISDBHSA-N 1 0 456.620 2.680 20 0 JFADRO CCC[C@H]1CN(c2nnc(C3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294080189 1066548728 /nfs/dbraw/zinc/54/87/28/1066548728.db2.gz COKZGOSHHSHSRN-MJGOQNOKSA-N 1 0 458.573 2.977 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@@H+]1CCOC ZINC001294082194 1066550883 /nfs/dbraw/zinc/55/08/83/1066550883.db2.gz QOZCWNCBYRFYCR-PMACEKPBSA-N 1 0 467.680 2.631 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001294082375 1066551282 /nfs/dbraw/zinc/55/12/82/1066551282.db2.gz QVSKTYLEGRRZHF-DNRQZRRGSA-N 1 0 475.634 2.837 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294082599 1066551950 /nfs/dbraw/zinc/55/19/50/1066551950.db2.gz MDXWMIUJKILHKV-HZPDHXFCSA-N 1 0 460.545 2.755 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001294091920 1066562672 /nfs/dbraw/zinc/56/26/72/1066562672.db2.gz PYVUWKOTKAESOR-PMACEKPBSA-N 1 0 464.561 2.625 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294092054 1066563027 /nfs/dbraw/zinc/56/30/27/1066563027.db2.gz SVSBUKKJVBJAPL-FYYLOGMGSA-N 1 0 486.636 2.956 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294092217 1066563089 /nfs/dbraw/zinc/56/30/89/1066563089.db2.gz UVZDTXUJGGLALM-KOSHJBKYSA-N 1 0 495.640 2.952 20 0 JFADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164402967 718852350 /nfs/dbraw/zinc/85/23/50/718852350.db2.gz HBDJIHLIZBELPM-ORAYPTAESA-N 1 0 473.307 2.703 20 0 JFADRO Cc1sc2nc(CN3CCCCC3)nc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c2c1C ZINC001164414988 718885596 /nfs/dbraw/zinc/88/55/96/718885596.db2.gz CRLQWYGORSBMQR-UHFFFAOYSA-N 1 0 452.632 2.984 20 0 JFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@H]2C1 ZINC001164430393 718956469 /nfs/dbraw/zinc/95/64/69/718956469.db2.gz UDOCOQWAPRACHB-CPJSRVTESA-N 1 0 485.032 2.838 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164431666 718970902 /nfs/dbraw/zinc/97/09/02/718970902.db2.gz AITLTGAQBAQVFK-CVEARBPZSA-N 1 0 454.827 2.685 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164432393 718970927 /nfs/dbraw/zinc/97/09/27/718970927.db2.gz HDZGJJRRSTUUCM-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164615962 719007560 /nfs/dbraw/zinc/00/75/60/719007560.db2.gz KEJGGLPUSIEWJY-OPAMFIHVSA-N 1 0 499.990 2.661 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164615614 719010690 /nfs/dbraw/zinc/01/06/90/719010690.db2.gz JEYBDDVZULAZTG-HXPMCKFVSA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618264 719016826 /nfs/dbraw/zinc/01/68/26/719016826.db2.gz RSUQTNNATOUCPC-BPQIPLTHSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164614227 719019093 /nfs/dbraw/zinc/01/90/93/719019093.db2.gz DPIDTOWOEUPMMN-BHYGNILZSA-N 1 0 468.888 2.864 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(C(F)(F)c3nc(Cl)cc(N4CCOCC4)n3)CC2)CC1 ZINC001164613728 719023597 /nfs/dbraw/zinc/02/35/97/719023597.db2.gz AXTAMVSMWAIKHO-UHFFFAOYSA-N 1 0 487.979 2.755 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164619572 719122433 /nfs/dbraw/zinc/12/24/33/719122433.db2.gz FJPXMADIOCLPEQ-HZPDHXFCSA-N 1 0 477.606 2.522 20 0 JFADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@@H+]4CC[C@@H](CO)C4)C[C@@H]3O2)n1 ZINC001164648144 719300025 /nfs/dbraw/zinc/30/00/25/719300025.db2.gz FTNYLNMEDAGGLY-KSCDAYEDSA-N 1 0 498.628 2.928 20 0 JFADRO O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164651304 719322137 /nfs/dbraw/zinc/32/21/37/719322137.db2.gz GRHLASYMSWSDOO-VWLOTQADSA-N 1 0 467.545 2.737 20 0 JFADRO CCN(CC)Cc1nc2sc(C)c(C)c2c(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)n1 ZINC001164654820 719327423 /nfs/dbraw/zinc/32/74/23/719327423.db2.gz MZOJNJCCDUPSGJ-UHFFFAOYSA-N 1 0 478.644 2.750 20 0 JFADRO CC[C@H]1C(=O)Nc2cnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681642 719621417 /nfs/dbraw/zinc/62/14/17/719621417.db2.gz KCPYGOYOBDBRED-FQEVSTJZSA-N 1 0 452.607 2.628 20 0 JFADRO CCOC(=O)c1cncc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683274 719667168 /nfs/dbraw/zinc/66/71/68/719667168.db2.gz RFBBYXZCMVJXAI-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)ccc3C(N)=O)CC2)c2ccccc21 ZINC001164680053 719669174 /nfs/dbraw/zinc/66/91/74/719669174.db2.gz BBUUPVNJDRMKAG-QGZVFWFLSA-N 1 0 470.017 2.927 20 0 JFADRO CON(C)C(=O)c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680875 719674563 /nfs/dbraw/zinc/67/45/63/719674563.db2.gz IIBKUSNIGLSXGZ-HXUWFJFHSA-N 1 0 479.625 2.808 20 0 JFADRO CCn1cnc2c1ncnc2N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681863 719677234 /nfs/dbraw/zinc/67/72/34/719677234.db2.gz NUEWPLSDSLRMNW-IBGZPJMESA-N 1 0 461.614 2.940 20 0 JFADRO COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164703377 719880015 /nfs/dbraw/zinc/88/00/15/719880015.db2.gz RZELUNAFDFZZBL-GCJKJVERSA-N 1 0 484.975 2.889 20 0 JFADRO COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164703386 719880136 /nfs/dbraw/zinc/88/01/36/719880136.db2.gz RZELUNAFDFZZBL-XMSQKQJNSA-N 1 0 484.975 2.889 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 ZINC001164708586 719934192 /nfs/dbraw/zinc/93/41/92/719934192.db2.gz LXPPJQKUZPRGOC-JOCHJYFZSA-N 1 0 465.646 2.702 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814782 720095613 /nfs/dbraw/zinc/09/56/13/720095613.db2.gz WPPWSJBCLMTLRL-CPJSRVTESA-N 1 0 481.622 2.853 20 0 JFADRO 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CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995654 722205369 /nfs/dbraw/zinc/20/53/69/722205369.db2.gz OUTVPOVTIXCNMR-RUZDIDTESA-N 1 0 469.561 2.874 20 0 JFADRO CN1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)CC1 ZINC001165002058 722240151 /nfs/dbraw/zinc/24/01/51/722240151.db2.gz BIOQPTDSACVFNW-UHFFFAOYSA-N 1 0 490.002 2.804 20 0 JFADRO Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002375 722243016 /nfs/dbraw/zinc/24/30/16/722243016.db2.gz CGIQWYHCKWXGFN-JYFHCDHNSA-N 1 0 471.605 2.956 20 0 JFADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2C1 ZINC001165002377 722243091 /nfs/dbraw/zinc/24/30/91/722243091.db2.gz CGIQWYHCKWXGFN-OZXSUGGESA-N 1 0 471.605 2.956 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)nc1 ZINC001164999829 722247363 /nfs/dbraw/zinc/24/73/63/722247363.db2.gz CTFVDGXDQHIFEA-WIOPSUGQSA-N 1 0 452.603 2.921 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165000330 722250831 /nfs/dbraw/zinc/25/08/31/722250831.db2.gz OIJUTYKREZXPAM-UHFFFAOYSA-N 1 0 472.924 2.537 20 0 JFADRO Cc1cc2nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc(N3CCOCC3)c2s1 ZINC001165001950 722254887 /nfs/dbraw/zinc/25/48/87/722254887.db2.gz JZFKXRRHSIVOJG-UHFFFAOYSA-N 1 0 471.631 2.521 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CCC2 ZINC001165004849 722257018 /nfs/dbraw/zinc/25/70/18/722257018.db2.gz WAZRBUNYMOAIIP-UHFFFAOYSA-N 1 0 464.570 2.990 20 0 JFADRO COc1ccc(CN(C)c2ccnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)cc1 ZINC001165003424 722257646 /nfs/dbraw/zinc/25/76/46/722257646.db2.gz CJSZMPAVNQWMAO-UHFFFAOYSA-N 1 0 465.602 2.807 20 0 JFADRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297581 1059475743 /nfs/dbraw/zinc/47/57/43/1059475743.db2.gz UJJAMBWDNTZHNN-IEBWSBKVSA-N 1 0 489.432 2.502 20 0 JFADRO O=C(CSc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1)N1CCc2ccccc21 ZINC001299740491 1059493302 /nfs/dbraw/zinc/49/33/02/1059493302.db2.gz AQMUXERRHBJQQR-HXUWFJFHSA-N 1 0 453.608 2.945 20 0 JFADRO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001264017293 1059505250 /nfs/dbraw/zinc/50/52/50/1059505250.db2.gz JEQBPUWQKSVTCM-IDISGSTGSA-N 1 0 473.577 2.909 20 0 JFADRO CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001264230885 1059544336 /nfs/dbraw/zinc/54/43/36/1059544336.db2.gz LTZIUTOVEFTFAB-UHFFFAOYSA-N 1 0 453.605 2.554 20 0 JFADRO CO[C@@]1(C)CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001299742129 1059567304 /nfs/dbraw/zinc/56/73/04/1059567304.db2.gz CCXRDGAUCCCCJT-SANMLTNESA-N 1 0 493.612 2.919 20 0 JFADRO C[NH+](C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1cccc(OC(C)(C)C)n1 ZINC001264611125 1059626266 /nfs/dbraw/zinc/62/62/66/1059626266.db2.gz WXANSGWWJGPOSG-QFIPXVFZSA-N 1 0 452.599 2.823 20 0 JFADRO CN1CCN(C(=O)Cc2ccc(NC(=O)/C=C\c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC001264765164 1059667001 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/nfs/dbraw/zinc/84/56/44/1059845644.db2.gz QPVACPXHRIHVFX-LCLWPZTBSA-N 1 0 451.633 2.964 20 0 JFADRO COc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC001265412350 1059849924 /nfs/dbraw/zinc/84/99/24/1059849924.db2.gz DMMKRFYTDYLTFA-OXJNMPFZSA-N 1 0 451.614 2.820 20 0 JFADRO Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)n(C2CC[NH+](C)CC2)n1 ZINC001265653378 1059905400 /nfs/dbraw/zinc/90/54/00/1059905400.db2.gz YPJDQOSWCSMAEY-UHFFFAOYSA-N 1 0 451.568 2.926 20 0 JFADRO CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C(C)C)C3)cc2S1(=O)=O ZINC001279365636 1059982966 /nfs/dbraw/zinc/98/29/66/1059982966.db2.gz WKFMKOURGWDPFV-NRFANRHFSA-N 1 0 455.580 2.834 20 0 JFADRO COc1ccc(-n2c(C)nnc2SCC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)cc1 ZINC001279601490 1059985871 /nfs/dbraw/zinc/98/58/71/1059985871.db2.gz MNXFIKZHJBVCSX-IBGZPJMESA-N 1 0 459.616 2.778 20 0 JFADRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001280022346 1059999342 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PAPHXXSHFXGTMG-UHFFFAOYSA-N 1 0 484.645 2.725 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001286846353 1061149747 /nfs/dbraw/zinc/14/97/47/1061149747.db2.gz ZCNAQSNQDPYLQY-HNVPCBRESA-N 1 0 490.693 2.888 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001286847372 1061157080 /nfs/dbraw/zinc/15/70/80/1061157080.db2.gz XKLMUWAWYYMPLJ-UNMCSNQZSA-N 1 0 496.660 2.742 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001286847371 1061157112 /nfs/dbraw/zinc/15/71/12/1061157112.db2.gz XKLMUWAWYYMPLJ-RBBKRZOGSA-N 1 0 496.660 2.742 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001286849053 1061167380 /nfs/dbraw/zinc/16/73/80/1061167380.db2.gz SZYLLRCEKRNQOG-RTWAWAEBSA-N 1 0 472.609 2.626 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001286852561 1061191084 /nfs/dbraw/zinc/19/10/84/1061191084.db2.gz SFDIRPNKJXRPRF-GOSISDBHSA-N 1 0 460.573 2.936 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001286853917 1061201200 /nfs/dbraw/zinc/20/12/00/1061201200.db2.gz HBHTVSLCYQXAQM-HVJHZFLKSA-N 1 0 460.667 2.984 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H](c2cccs2)[NH+](C)C)o1 ZINC001289576653 1061222328 /nfs/dbraw/zinc/22/23/28/1061222328.db2.gz KIHPFEIICSWHBO-KRWDZBQOSA-N 1 0 458.588 2.682 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC001289585917 1061230251 /nfs/dbraw/zinc/23/02/51/1061230251.db2.gz PMMVGQIFDWBGMH-FQEVSTJZSA-N 1 0 466.586 2.927 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)o1 ZINC001289587108 1061231819 /nfs/dbraw/zinc/23/18/19/1061231819.db2.gz VWYYPWIOQLLMJU-QWFCFKBJSA-N 1 0 478.663 2.733 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001289587179 1061231964 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UBKAAHOZQOQVSW-JTSKRJEESA-N 1 0 480.535 2.993 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C4CC4)C(=O)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289739104 1061352287 /nfs/dbraw/zinc/35/22/87/1061352287.db2.gz HJZLSLDCZGTNAA-UHFFFAOYSA-N 1 0 467.618 2.546 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](C)C[NH+]2CCCC2)cc1C ZINC001289739096 1061352555 /nfs/dbraw/zinc/35/25/55/1061352555.db2.gz HFUCXQYOCOJTGV-PXNSSMCTSA-N 1 0 467.618 2.546 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001289740881 1061355645 /nfs/dbraw/zinc/35/56/45/1061355645.db2.gz RAJNQBDGOORKNF-UHFFFAOYSA-N 1 0 469.634 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289741239 1061356459 /nfs/dbraw/zinc/35/64/59/1061356459.db2.gz TZQVHECFLJHTFC-PXNSSMCTSA-N 1 0 467.618 2.546 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289746491 1061363492 /nfs/dbraw/zinc/36/34/92/1061363492.db2.gz IMUTWYLGDIRYOA-HXUWFJFHSA-N 1 0 472.659 2.836 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3CCOCC[NH+](C)C)C2)nc1 ZINC001289747468 1061366484 /nfs/dbraw/zinc/36/64/84/1061366484.db2.gz IPGLXPZQHUILAR-RTWAWAEBSA-N 1 0 485.633 2.656 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCOC4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748481 1061369019 /nfs/dbraw/zinc/36/90/19/1061369019.db2.gz RLJLLNSBJMZZAF-PMACEKPBSA-N 1 0 455.607 2.681 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748490 1061369150 /nfs/dbraw/zinc/36/91/50/1061369150.db2.gz RLJLLNSBJMZZAF-WOJBJXKFSA-N 1 0 455.607 2.681 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748378 1061369188 /nfs/dbraw/zinc/36/91/88/1061369188.db2.gz QIVQICOTELEZIZ-VQTJNVASSA-N 1 0 482.633 2.518 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)cc1 ZINC001286894406 1061372384 /nfs/dbraw/zinc/37/23/84/1061372384.db2.gz DJXHMHCBESSPQG-UHFFFAOYSA-N 1 0 464.618 2.929 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001289752715 1061374553 /nfs/dbraw/zinc/37/45/53/1061374553.db2.gz CTBXQNOPKKRHAI-FQEVSTJZSA-N 1 0 467.618 2.735 20 0 JFADRO Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3C[C@H](C)[NH+](C)C)C2)cc1 ZINC001289755732 1061378482 /nfs/dbraw/zinc/37/84/82/1061378482.db2.gz FYALTNZAVLNENE-LEWJYISDSA-N 1 0 496.660 2.811 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286897972 1061384033 /nfs/dbraw/zinc/38/40/33/1061384033.db2.gz UPKVAQCTIYQXLF-CDNGDFIJSA-N 1 0 496.660 2.929 20 0 JFADRO Cc1ccc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC001289769805 1061391604 /nfs/dbraw/zinc/39/16/04/1061391604.db2.gz VEVHZXXDBKLKHZ-UHFFFAOYSA-N 1 0 497.688 2.799 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001286900910 1061393400 /nfs/dbraw/zinc/39/34/00/1061393400.db2.gz MHYLYGOOENOAAG-UHFFFAOYSA-N 1 0 464.618 2.672 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286903413 1061402742 /nfs/dbraw/zinc/40/27/42/1061402742.db2.gz BIJKBNCLAZZWEV-AZUAARDMSA-N 1 0 482.633 2.541 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001286905771 1061421391 /nfs/dbraw/zinc/42/13/91/1061421391.db2.gz YAJJPFPYJAKYHD-JOCHJYFZSA-N 1 0 496.660 2.788 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001286906567 1061427620 /nfs/dbraw/zinc/42/76/20/1061427620.db2.gz DWQDHLWLENVBBX-SQJMNOBHSA-N 1 0 476.666 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1C ZINC001289798813 1061432621 /nfs/dbraw/zinc/43/26/21/1061432621.db2.gz ACQJOHRGAAQJMB-QFIPXVFZSA-N 1 0 454.619 2.906 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001286907617 1061437592 /nfs/dbraw/zinc/43/75/92/1061437592.db2.gz CYDCEAGPWNYLLT-IRLDBZIGSA-N 1 0 451.550 2.887 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](C[NH+]4CCCCC4)C3)n2CC(=O)N(C)C)cc1C ZINC001289806070 1061445900 /nfs/dbraw/zinc/44/59/00/1061445900.db2.gz YKEVXVHFECSDMA-OAQYLSRUSA-N 1 0 454.619 2.874 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289808914 1061452517 /nfs/dbraw/zinc/45/25/17/1061452517.db2.gz LXWBCSQHNMLVMM-HXUWFJFHSA-N 1 0 461.632 2.582 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001289810565 1061455454 /nfs/dbraw/zinc/45/54/54/1061455454.db2.gz UUKFDTVRZUXRPR-UHFFFAOYSA-N 1 0 484.645 2.901 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001289810608 1061457008 /nfs/dbraw/zinc/45/70/08/1061457008.db2.gz VOJAYAQPPKARND-XMSQKQJNSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001286910995 1061460158 /nfs/dbraw/zinc/46/01/58/1061460158.db2.gz DXFPYKPTXVJJFL-PMACEKPBSA-N 1 0 453.616 2.733 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286912079 1061466532 /nfs/dbraw/zinc/46/65/32/1061466532.db2.gz JKINQNLIFGYMLD-SQGPQFPESA-N 1 0 459.664 2.859 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001286914294 1061480988 /nfs/dbraw/zinc/48/09/88/1061480988.db2.gz WJGSEFVVVUKERD-AWRGLXIESA-N 1 0 468.646 2.668 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001286914761 1061487453 /nfs/dbraw/zinc/48/74/53/1061487453.db2.gz ZGFFWWUJLKADGS-XZOQPEGZSA-N 1 0 482.608 2.687 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001289825229 1061495124 /nfs/dbraw/zinc/49/51/24/1061495124.db2.gz XMRBZTBLGYNCCQ-OAQYLSRUSA-N 1 0 454.619 2.873 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1C ZINC001289827987 1061503865 /nfs/dbraw/zinc/50/38/65/1061503865.db2.gz MTFPCCUPFPEUOP-CJAUYULYSA-N 1 0 454.619 2.921 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286918025 1061504714 /nfs/dbraw/zinc/50/47/14/1061504714.db2.gz DHWMBZAQLFVFRV-QHCPKHFHSA-N 1 0 454.619 2.715 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001286917982 1061504744 /nfs/dbraw/zinc/50/47/44/1061504744.db2.gz DHWMBZAQLFVFRV-HSZRJFAPSA-N 1 0 454.619 2.715 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001286918262 1061505125 /nfs/dbraw/zinc/50/51/25/1061505125.db2.gz BTJMRXNBPVIJGY-NRFANRHFSA-N 1 0 453.635 2.737 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286918329 1061505639 /nfs/dbraw/zinc/50/56/39/1061505639.db2.gz KPBLWJBMZYIZOE-JOCHJYFZSA-N 1 0 454.619 2.715 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286918595 1061506372 /nfs/dbraw/zinc/50/63/72/1061506372.db2.gz RPQIHUHLRZASQY-QZTJIDSGSA-N 1 0 458.582 2.688 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286918596 1061506444 /nfs/dbraw/zinc/50/64/44/1061506444.db2.gz RPQIHUHLRZASQY-ROUUACIJSA-N 1 0 458.582 2.688 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286918799 1061507342 /nfs/dbraw/zinc/50/73/42/1061507342.db2.gz KTGXIKJOEVTHBN-SFTDATJTSA-N 1 0 468.646 2.782 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286919091 1061508380 /nfs/dbraw/zinc/50/83/80/1061508380.db2.gz MDKBSVJOBNUYHX-LJQANCHMSA-N 1 0 459.664 2.859 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286919427 1061509808 /nfs/dbraw/zinc/50/98/08/1061509808.db2.gz PBVCFYSGQLJEIR-IBGZPJMESA-N 1 0 453.635 2.879 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC001289836115 1061513286 /nfs/dbraw/zinc/51/32/86/1061513286.db2.gz ROVANVKSMRXRKQ-BWKNWUBXSA-N 1 0 484.689 2.955 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001286921731 1061518636 /nfs/dbraw/zinc/51/86/36/1061518636.db2.gz NFRUPQSPBAIGGW-BKSPAHHJSA-N 1 0 488.633 2.567 20 0 JFADRO Cc1ccc(OCCN(C)c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289845346 1061519210 /nfs/dbraw/zinc/51/92/10/1061519210.db2.gz CEPOBHOONWSFMX-UHFFFAOYSA-N 1 0 453.591 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286923943 1061528371 /nfs/dbraw/zinc/52/83/71/1061528371.db2.gz UEONACUYCSPXEB-ICSRJNTNSA-N 1 0 454.623 2.598 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924321 1061529982 /nfs/dbraw/zinc/52/99/82/1061529982.db2.gz XVRFCLTUVFOYRI-VWNXMTODSA-N 1 0 468.646 2.963 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001286924607 1061530990 /nfs/dbraw/zinc/53/09/90/1061530990.db2.gz BJGMUAITKIKSLY-XZOQPEGZSA-N 1 0 470.666 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286926375 1061538840 /nfs/dbraw/zinc/53/88/40/1061538840.db2.gz HAWQYMASGJJETO-NZQKXSOJSA-N 1 0 454.619 2.858 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001289862518 1061545188 /nfs/dbraw/zinc/54/51/88/1061545188.db2.gz IKNQSRZWTZOHQA-LEWJYISDSA-N 1 0 486.686 2.783 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001289868451 1061550641 /nfs/dbraw/zinc/55/06/41/1061550641.db2.gz RFWWSFPEJAHKFV-AREMUKBSSA-N 1 0 499.729 2.854 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286929562 1061551317 /nfs/dbraw/zinc/55/13/17/1061551317.db2.gz TVRCKLHDPMOUHM-NRFANRHFSA-N 1 0 454.619 2.887 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001286929664 1061551909 /nfs/dbraw/zinc/55/19/09/1061551909.db2.gz QAZUNEQPWLHHRI-JTHBVZDNSA-N 1 0 468.646 2.984 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289870303 1061553785 /nfs/dbraw/zinc/55/37/85/1061553785.db2.gz RRGNXZCVRHXVHU-HXUWFJFHSA-N 1 0 493.699 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001286931522 1061557840 /nfs/dbraw/zinc/55/78/40/1061557840.db2.gz YELWIWBTCCAIDX-QHCPKHFHSA-N 1 0 496.635 2.763 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCN(c4cccnn4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001289878840 1061563656 /nfs/dbraw/zinc/56/36/56/1061563656.db2.gz KKUAHCADDIVJOY-IBGZPJMESA-N 1 0 452.632 2.946 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286933507 1061566003 /nfs/dbraw/zinc/56/60/03/1061566003.db2.gz JKFWYQFZTALOLG-JOCHJYFZSA-N 1 0 454.623 2.598 20 0 JFADRO Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001289883278 1061567016 /nfs/dbraw/zinc/56/70/16/1061567016.db2.gz AKHPZMHBGBKLGV-SFHVURJKSA-N 1 0 480.704 2.956 20 0 JFADRO Cc1cccc(C(=O)NCCn2c(C(C)C)nnc2N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC001289890280 1061575426 /nfs/dbraw/zinc/57/54/26/1061575426.db2.gz VKCQPLNFYNZWBA-UHFFFAOYSA-N 1 0 454.619 2.689 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(C(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC001286935937 1061576236 /nfs/dbraw/zinc/57/62/36/1061576236.db2.gz AEHOHOFMBBCBIC-HXUWFJFHSA-N 1 0 460.648 2.717 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001286936319 1061577770 /nfs/dbraw/zinc/57/77/70/1061577770.db2.gz ZMODLBDFPWPJKY-DEOSSOPVSA-N 1 0 478.645 2.795 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC[N@@H+]1CCOC ZINC001294098805 1061578596 /nfs/dbraw/zinc/57/85/96/1061578596.db2.gz KYGFOUVSJDYBCL-OLROQXJNSA-N 1 0 493.693 2.674 20 0 JFADRO COc1ccc(Nc2ccc(C(=O)N3CCC(C(=O)NCC[NH+](C)C)CC3)cc2)c(OC)c1 ZINC001294100866 1061580992 /nfs/dbraw/zinc/58/09/92/1061580992.db2.gz HQWGSSIMKKENNL-UHFFFAOYSA-N 1 0 454.571 2.977 20 0 JFADRO CCOc1cc(C(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1OCc1cccnc1 ZINC001294100880 1061581109 /nfs/dbraw/zinc/58/11/09/1061581109.db2.gz IGNMYILLFKTJMT-UHFFFAOYSA-N 1 0 454.571 2.589 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001286940636 1061584006 /nfs/dbraw/zinc/58/40/06/1061584006.db2.gz FSDGHQHCPNBUTO-OAQYLSRUSA-N 1 0 458.607 2.700 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294104396 1061584209 /nfs/dbraw/zinc/58/42/09/1061584209.db2.gz ONRVJIFMEDGQPV-SLFFLAALSA-N 1 0 488.599 2.951 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294104400 1061584491 /nfs/dbraw/zinc/58/44/91/1061584491.db2.gz ONRVJIFMEDGQPV-XUVXKRRUSA-N 1 0 488.599 2.951 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001286940924 1061585562 /nfs/dbraw/zinc/58/55/62/1061585562.db2.gz ISXXRAZWMPTXHA-ZWKOTPCHSA-N 1 0 458.588 2.552 20 0 JFADRO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001289901947 1061588060 /nfs/dbraw/zinc/58/80/60/1061588060.db2.gz NQNUGVFYMXFXLL-OAQYLSRUSA-N 1 0 495.672 2.865 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001286942304 1061593807 /nfs/dbraw/zinc/59/38/07/1061593807.db2.gz UBHJSDRTGPMTQE-SFTDATJTSA-N 1 0 463.026 2.916 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCC(C)CC2)CCO1 ZINC001286943066 1061598474 /nfs/dbraw/zinc/59/84/74/1061598474.db2.gz RTOXIDHGGHSUBY-JOCHJYFZSA-N 1 0 454.619 2.717 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286943532 1061603186 /nfs/dbraw/zinc/60/31/86/1061603186.db2.gz BESUUIBZEDBFHK-DHIUTWEWSA-N 1 0 496.612 2.711 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001289912782 1061604739 /nfs/dbraw/zinc/60/47/39/1061604739.db2.gz MWMLEMGCZCAMTN-NRFANRHFSA-N 1 0 499.566 2.848 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001289917659 1061610442 /nfs/dbraw/zinc/61/04/42/1061610442.db2.gz TUJGFNNSGYXMTD-PMACEKPBSA-N 1 0 477.613 2.883 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccc3C)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001286944757 1061615991 /nfs/dbraw/zinc/61/59/91/1061615991.db2.gz GASRXMDXMAZMHD-QHCPKHFHSA-N 1 0 456.635 2.637 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001289930620 1061619987 /nfs/dbraw/zinc/61/99/87/1061619987.db2.gz AOERNDFPJFYUBA-UHFFFAOYSA-N 1 0 455.651 2.927 20 0 JFADRO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001294137340 1061621792 /nfs/dbraw/zinc/62/17/92/1061621792.db2.gz LYQHQDSKDSIXLC-IFMALSPDSA-N 1 0 490.674 2.512 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001289933079 1061626804 /nfs/dbraw/zinc/62/68/04/1061626804.db2.gz YVUTWYUMJRNVOY-UHFFFAOYSA-N 1 0 462.664 2.887 20 0 JFADRO CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294140203 1061627479 /nfs/dbraw/zinc/62/74/79/1061627479.db2.gz ZEFFHKWOLREWIV-VQTJNVASSA-N 1 0 480.654 2.934 20 0 JFADRO O=C(Cc1ccccc1O[C@@H]1CCOC1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294147362 1061633379 /nfs/dbraw/zinc/63/33/79/1061633379.db2.gz RKRNBZHJRNBSMH-HSZRJFAPSA-N 1 0 457.615 2.628 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286947300 1061642131 /nfs/dbraw/zinc/64/21/31/1061642131.db2.gz SXENEOQBAZCBGY-WMZHIEFXSA-N 1 0 482.654 2.792 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)CC1 ZINC001294164943 1061656229 /nfs/dbraw/zinc/65/62/29/1061656229.db2.gz GZWAXGMKCHIGRB-UHFFFAOYSA-N 1 0 471.675 2.912 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286948348 1061657383 /nfs/dbraw/zinc/65/73/83/1061657383.db2.gz QKPFHPFXALMTBA-DNQXCXABSA-N 1 0 486.636 2.860 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001294166436 1061662097 /nfs/dbraw/zinc/66/20/97/1061662097.db2.gz NZLFZMQGHDENOM-NRFANRHFSA-N 1 0 487.693 2.874 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001286948851 1061664878 /nfs/dbraw/zinc/66/48/78/1061664878.db2.gz YHYKFOXCYUPNMD-JOCHJYFZSA-N 1 0 475.037 2.596 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001289961486 1061668772 /nfs/dbraw/zinc/66/87/72/1061668772.db2.gz SKVWUQKJXACJHN-CJAUYULYSA-N 1 0 469.634 2.630 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001289961489 1061668818 /nfs/dbraw/zinc/66/88/18/1061668818.db2.gz SKVWUQKJXACJHN-IQGLISFBSA-N 1 0 469.634 2.630 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001289971509 1061676217 /nfs/dbraw/zinc/67/62/17/1061676217.db2.gz CFQNUQAIPCJUGQ-RTWAWAEBSA-N 1 0 489.690 2.535 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001294173294 1061678446 /nfs/dbraw/zinc/67/84/46/1061678446.db2.gz HFMIDZLAXPFRQJ-UNMCSNQZSA-N 1 0 487.693 2.969 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001294173819 1061681594 /nfs/dbraw/zinc/68/15/94/1061681594.db2.gz LDMWBCYFJYDSHR-QFIPXVFZSA-N 1 0 487.693 2.826 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001289973602 1061685284 /nfs/dbraw/zinc/68/52/84/1061685284.db2.gz ITVXQBKPWVMWHX-DENIHFKCSA-N 1 0 453.635 2.977 20 0 JFADRO CC(=O)NCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286950913 1061686172 /nfs/dbraw/zinc/68/61/72/1061686172.db2.gz BLFARIRAQCHADL-UHFFFAOYSA-N 1 0 497.692 2.537 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001289975293 1061692843 /nfs/dbraw/zinc/69/28/43/1061692843.db2.gz QTSBCVJUPJSDHX-SFTDATJTSA-N 1 0 489.690 2.679 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001289975290 1061692874 /nfs/dbraw/zinc/69/28/74/1061692874.db2.gz QTSBCVJUPJSDHX-NHCUHLMSSA-N 1 0 489.690 2.679 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001286951946 1061693424 /nfs/dbraw/zinc/69/34/24/1061693424.db2.gz MEPDVOQBPSOFEK-QFIPXVFZSA-N 1 0 470.618 2.875 20 0 JFADRO CN(CCCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC001294188728 1061697473 /nfs/dbraw/zinc/69/74/73/1061697473.db2.gz FKTRGVJTAYLGNV-FQEVSTJZSA-N 1 0 454.596 2.580 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001294195303 1061703658 /nfs/dbraw/zinc/70/36/58/1061703658.db2.gz AUDKHHPLWRNASX-UGKGYDQZSA-N 1 0 470.618 2.970 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289981622 1061704093 /nfs/dbraw/zinc/70/40/93/1061704093.db2.gz XXBIEIYKEWLULB-NRFANRHFSA-N 1 0 496.704 2.806 20 0 JFADRO CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001294196965 1061704591 /nfs/dbraw/zinc/70/45/91/1061704591.db2.gz SOVCVUHWXDXBMN-HXUWFJFHSA-N 1 0 493.697 2.849 20 0 JFADRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 ZINC001294204507 1061708856 /nfs/dbraw/zinc/70/88/56/1061708856.db2.gz JXONGZVKONWFRU-KRWDZBQOSA-N 1 0 459.568 2.672 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C3CCC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001294209090 1061712530 /nfs/dbraw/zinc/71/25/30/1061712530.db2.gz OHZBWWAFTRRQLI-UHFFFAOYSA-N 1 0 452.669 2.529 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001289987993 1061713427 /nfs/dbraw/zinc/71/34/27/1061713427.db2.gz FVVBRDKWJPVRAV-MJGOQNOKSA-N 1 0 468.524 2.653 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001294210552 1061714683 /nfs/dbraw/zinc/71/46/83/1061714683.db2.gz LWVGQMIHNNYISX-NBGIEHNGSA-N 1 0 460.667 2.900 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001289990646 1061714691 /nfs/dbraw/zinc/71/46/91/1061714691.db2.gz BATCGJAZCPQZHY-FGZHOGPDSA-N 1 0 472.634 2.636 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](COC(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC001289990651 1061714827 /nfs/dbraw/zinc/71/48/27/1061714827.db2.gz BATCGJAZCPQZHY-VXKWHMMOSA-N 1 0 472.634 2.636 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001294210521 1061714918 /nfs/dbraw/zinc/71/49/18/1061714918.db2.gz LELVWQUUBJNWRT-FQEVSTJZSA-N 1 0 455.607 2.910 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001294210551 1061714962 /nfs/dbraw/zinc/71/49/62/1061714962.db2.gz LWVGQMIHNNYISX-CPJSRVTESA-N 1 0 460.667 2.900 20 0 JFADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCCO2)n1CC[NH+]1CCSCC1 ZINC001286956794 1061716722 /nfs/dbraw/zinc/71/67/22/1061716722.db2.gz BSJJXOVCGQGOSG-HXUWFJFHSA-N 1 0 478.688 2.691 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(NC(C)=O)CC1 ZINC001294214655 1061723878 /nfs/dbraw/zinc/72/38/78/1061723878.db2.gz KJLFKCOOIBPVFX-UHFFFAOYSA-N 1 0 466.428 2.873 20 0 JFADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)C2)c1 ZINC001290000633 1061724345 /nfs/dbraw/zinc/72/43/45/1061724345.db2.gz GDCCJYRKEHUVHK-DHIUTWEWSA-N 1 0 495.672 2.661 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294215902 1061724724 /nfs/dbraw/zinc/72/47/24/1061724724.db2.gz WOLITVTZGDYVRZ-AWEZNQCLSA-N 1 0 453.385 2.767 20 0 JFADRO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC001290002079 1061726453 /nfs/dbraw/zinc/72/64/53/1061726453.db2.gz BMFNXHQLNKLLPB-UHFFFAOYSA-N 1 0 496.704 2.747 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001294218459 1061729470 /nfs/dbraw/zinc/72/94/70/1061729470.db2.gz RBGLVQGQMQDUEZ-HXUWFJFHSA-N 1 0 455.563 2.955 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294219385 1061730085 /nfs/dbraw/zinc/73/00/85/1061730085.db2.gz YJVGXQHEHWUPLY-ICSRJNTNSA-N 1 0 459.547 2.808 20 0 JFADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)c1 ZINC001294220444 1061731989 /nfs/dbraw/zinc/73/19/89/1061731989.db2.gz SEEADODUWAKKSL-QGZVFWFLSA-N 1 0 459.568 2.527 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001294222008 1061732660 /nfs/dbraw/zinc/73/26/60/1061732660.db2.gz ZYCDARROJJLSIK-LJQANCHMSA-N 1 0 467.574 2.538 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294225063 1061735699 /nfs/dbraw/zinc/73/56/99/1061735699.db2.gz ACAKUQGSOOUKAL-CLOONOSVSA-N 1 0 491.681 2.826 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225589 1061737535 /nfs/dbraw/zinc/73/75/35/1061737535.db2.gz GEMZZINDWWTNCB-RTBURBONSA-N 1 0 450.628 2.865 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294226344 1061738702 /nfs/dbraw/zinc/73/87/02/1061738702.db2.gz SYYHMZZIWYUYAY-PMACEKPBSA-N 1 0 492.665 2.766 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294228268 1061743059 /nfs/dbraw/zinc/74/30/59/1061743059.db2.gz LZAMUGGUGQTOOA-UHFFFAOYSA-N 1 0 466.634 2.934 20 0 JFADRO CC1CC[NH+]([C@@H](CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c2cccs2)CC1 ZINC001290021250 1061743305 /nfs/dbraw/zinc/74/33/05/1061743305.db2.gz CMGIMUSSRVPUQP-SFHVURJKSA-N 1 0 454.593 2.536 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294228580 1061743925 /nfs/dbraw/zinc/74/39/25/1061743925.db2.gz QDAIEOSYOXQXTB-RUZDIDTESA-N 1 0 485.608 2.554 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001294228661 1061744145 /nfs/dbraw/zinc/74/41/45/1061744145.db2.gz GKQPGZWKBWGECQ-UHFFFAOYSA-N 1 0 487.722 2.875 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294230014 1061746333 /nfs/dbraw/zinc/74/63/33/1061746333.db2.gz SSBWHRHTEVYSEA-LEWJYISDSA-N 1 0 458.582 2.976 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001294230007 1061746614 /nfs/dbraw/zinc/74/66/14/1061746614.db2.gz SOWFTTKXMLQELU-UHFFFAOYSA-N 1 0 496.635 2.973 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294230040 1061747295 /nfs/dbraw/zinc/74/72/95/1061747295.db2.gz UDKHCUNOLAPQQH-UHFFFAOYSA-N 1 0 479.629 2.862 20 0 JFADRO COC1CC[NH+](CCNC(=O)c2ccccc2SCc2nnnn2-c2ccccc2)CC1 ZINC001294232595 1061748602 /nfs/dbraw/zinc/74/86/02/1061748602.db2.gz AFSCDHYZMCHKMQ-UHFFFAOYSA-N 1 0 452.584 2.795 20 0 JFADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286971334 1061748773 /nfs/dbraw/zinc/74/87/73/1061748773.db2.gz HYGFCHNQCRZXAQ-KNQAVFIVSA-N 1 0 473.710 2.875 20 0 JFADRO COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCC(OC)CC3)c(O)c2)c1 ZINC001294233981 1061749157 /nfs/dbraw/zinc/74/91/57/1061749157.db2.gz SOMAAGVCOLSNFN-UHFFFAOYSA-N 1 0 457.527 2.502 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C4CCCC4)n3CCCNS(C)(=O)=O)CC2)c1 ZINC001290034730 1061751104 /nfs/dbraw/zinc/75/11/04/1061751104.db2.gz XJNGERYJYWDGBI-UHFFFAOYSA-N 1 0 460.648 2.506 20 0 JFADRO Cc1n[nH]cc1CCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001290035070 1061751962 /nfs/dbraw/zinc/75/19/62/1061751962.db2.gz ZEEHWCKXELEDAI-UHFFFAOYSA-N 1 0 464.618 2.711 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290042033 1061759047 /nfs/dbraw/zinc/75/90/47/1061759047.db2.gz ZILAHRZZJXMLRM-OYRHEFFESA-N 1 0 497.688 2.852 20 0 JFADRO CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001294255534 1061760271 /nfs/dbraw/zinc/76/02/71/1061760271.db2.gz KIWKVFBTIXXTTN-WOJBJXKFSA-N 1 0 454.623 2.720 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001290045272 1061762011 /nfs/dbraw/zinc/76/20/11/1061762011.db2.gz XNZKWSVCYDQFHX-DNVFCKCGSA-N 1 0 495.715 2.861 20 0 JFADRO CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001294261660 1061763591 /nfs/dbraw/zinc/76/35/91/1061763591.db2.gz YCORFTRPXBAKRT-UHFFFAOYSA-N 1 0 461.632 2.697 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(C2CCC2)n1CCN1CC[NH+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC001286975023 1061772094 /nfs/dbraw/zinc/77/20/94/1061772094.db2.gz AGUWHBGRVOTILI-LEWJYISDSA-N 1 0 488.702 2.621 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001290060019 1061780448 /nfs/dbraw/zinc/78/04/48/1061780448.db2.gz PDMIJFNNVVBZDS-KRWDZBQOSA-N 1 0 484.630 2.822 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001286976162 1061781550 /nfs/dbraw/zinc/78/15/50/1061781550.db2.gz IBFHDVRHNJGYML-VNTMZGSJSA-N 1 0 499.722 2.565 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286976330 1061783339 /nfs/dbraw/zinc/78/33/39/1061783339.db2.gz DEIRSKQUWCELBO-QWFCFKBJSA-N 1 0 475.663 2.790 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290062961 1061786722 /nfs/dbraw/zinc/78/67/22/1061786722.db2.gz RRUBRKZWTVHETQ-TZIWHRDSSA-N 1 0 461.632 2.521 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001286977324 1061790347 /nfs/dbraw/zinc/79/03/47/1061790347.db2.gz RMIRIFSWFSUOGA-LVCYWYKZSA-N 1 0 463.648 2.540 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286977435 1061790392 /nfs/dbraw/zinc/79/03/92/1061790392.db2.gz MJAQMAKKOCKVPN-CBGDNZLLSA-N 1 0 457.710 2.706 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001286977326 1061790511 /nfs/dbraw/zinc/79/05/11/1061790511.db2.gz RMIRIFSWFSUOGA-OPYAIIAOSA-N 1 0 463.648 2.540 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCN2CC=CCC2)c1 ZINC001290069185 1061793247 /nfs/dbraw/zinc/79/32/47/1061793247.db2.gz ARVCGLKMSBKLSV-JOCHJYFZSA-N 1 0 473.643 2.831 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294306115 1061793316 /nfs/dbraw/zinc/79/33/16/1061793316.db2.gz GIGPGLJLKTUXGI-QFIPXVFZSA-N 1 0 489.709 2.716 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001290069301 1061793623 /nfs/dbraw/zinc/79/36/23/1061793623.db2.gz FAFUUBAXQVJCAI-NRFANRHFSA-N 1 0 492.690 2.614 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001294306735 1061794218 /nfs/dbraw/zinc/79/42/18/1061794218.db2.gz COZGMCXFYLETMX-QKNQBKEWSA-N 1 0 494.662 2.714 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294307823 1061794682 /nfs/dbraw/zinc/79/46/82/1061794682.db2.gz FOFWTJVKVQLYCU-OAQYLSRUSA-N 1 0 471.650 2.711 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCC(C)(C)O)c1 ZINC001290069691 1061795408 /nfs/dbraw/zinc/79/54/08/1061795408.db2.gz QFIMNQHLWMJNRB-UHFFFAOYSA-N 1 0 467.618 2.772 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294308484 1061796090 /nfs/dbraw/zinc/79/60/90/1061796090.db2.gz LJZPCBVIULYFKA-FQEVSTJZSA-N 1 0 478.663 2.973 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001294308580 1061796362 /nfs/dbraw/zinc/79/63/62/1061796362.db2.gz SCVLSGAPCJBXRP-FPOVZHCZSA-N 1 0 473.666 2.566 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294308486 1061796717 /nfs/dbraw/zinc/79/67/17/1061796717.db2.gz LJZPCBVIULYFKA-HXUWFJFHSA-N 1 0 478.663 2.973 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294308588 1061797251 /nfs/dbraw/zinc/79/72/51/1061797251.db2.gz SFQJUEHIPGNVNN-LZBANZJXSA-N 1 0 475.682 2.954 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001290071782 1061799265 /nfs/dbraw/zinc/79/92/65/1061799265.db2.gz UDIZNBQKWIGQJA-UHFFFAOYSA-N 1 0 494.644 2.871 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001294309613 1061800012 /nfs/dbraw/zinc/80/00/12/1061800012.db2.gz CBEQXKWVKIALHN-RBUKOAKNSA-N 1 0 450.653 2.808 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311803 1061803038 /nfs/dbraw/zinc/80/30/38/1061803038.db2.gz OSDAYWAZBVOMET-UNMCSNQZSA-N 1 0 496.722 2.735 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CC(=O)N(C)C)c1 ZINC001290075472 1061804523 /nfs/dbraw/zinc/80/45/23/1061804523.db2.gz XUBFERLWGSZEPZ-UHFFFAOYSA-N 1 0 454.619 2.954 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1)S(C)(=O)=O ZINC001286979361 1061805636 /nfs/dbraw/zinc/80/56/36/1061805636.db2.gz YNFHXJKOGIOGQB-RBUKOAKNSA-N 1 0 462.664 2.644 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294314649 1061806103 /nfs/dbraw/zinc/80/61/03/1061806103.db2.gz HTURPLDINZAJJN-HLAWJBBLSA-N 1 0 490.674 2.649 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001294315532 1061807657 /nfs/dbraw/zinc/80/76/57/1061807657.db2.gz KCEATAXXNZNBKU-XRXFAXGQSA-N 1 0 467.680 2.839 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001294315555 1061807737 /nfs/dbraw/zinc/80/77/37/1061807737.db2.gz KHOWUEXXWBTYAK-JOCHJYFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294316767 1061811207 /nfs/dbraw/zinc/81/12/07/1061811207.db2.gz RIDDPBSYGKKNJE-QFIPXVFZSA-N 1 0 453.635 2.977 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001294317915 1061816532 /nfs/dbraw/zinc/81/65/32/1061816532.db2.gz YYSHYZZWVAYVIT-FQEVSTJZSA-N 1 0 456.639 2.718 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294318968 1061820438 /nfs/dbraw/zinc/82/04/38/1061820438.db2.gz XPELATLUQKFFJR-FCHUYYIVSA-N 1 0 487.693 2.796 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294319413 1061821821 /nfs/dbraw/zinc/82/18/21/1061821821.db2.gz ZIUZISXVZREZMK-BKSPAHHJSA-N 1 0 476.666 2.640 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294319702 1061822704 /nfs/dbraw/zinc/82/27/04/1061822704.db2.gz CRLNPKFBZIQPPI-JDRJUVJTSA-N 1 0 484.645 2.542 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1CCCCC1 ZINC001286983455 1061835784 /nfs/dbraw/zinc/83/57/84/1061835784.db2.gz VZYRYURCUKEWNM-MOPGFXCFSA-N 1 0 491.658 2.850 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290112751 1061842130 /nfs/dbraw/zinc/84/21/30/1061842130.db2.gz KWYDQVJXOSVNFR-PKOBYXMFSA-N 1 0 494.562 2.727 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001294328717 1061846905 /nfs/dbraw/zinc/84/69/05/1061846905.db2.gz GKIYEDYPPAVPQL-FNAHDJPLSA-N 1 0 487.693 2.872 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(=O)NCC(F)F ZINC001290120239 1061849878 /nfs/dbraw/zinc/84/98/78/1061849878.db2.gz IFWMMLJVTPULGS-UHFFFAOYSA-N 1 0 476.572 2.716 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001286985740 1061856759 /nfs/dbraw/zinc/85/67/59/1061856759.db2.gz BFDUMQOQFQBLPW-LJQANCHMSA-N 1 0 458.582 2.833 20 0 JFADRO C[C@H](Oc1ccccc1Br)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC001294332794 1061861440 /nfs/dbraw/zinc/86/14/40/1061861440.db2.gz SQDOBLHOEDRUMY-HNNXBMFYSA-N 1 0 454.409 2.959 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290129768 1061862749 /nfs/dbraw/zinc/86/27/49/1061862749.db2.gz MNLKRFVYQLRPFJ-HXUWFJFHSA-N 1 0 454.619 2.526 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCC(=O)N(C)C ZINC001290129939 1061863434 /nfs/dbraw/zinc/86/34/34/1061863434.db2.gz XTGATPJYMSNYRY-NRFANRHFSA-N 1 0 454.619 2.671 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131203 1061865205 /nfs/dbraw/zinc/86/52/05/1061865205.db2.gz DSLHHZMFISWQFC-GDBMZVCRSA-N 1 0 455.386 2.723 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131204 1061865230 /nfs/dbraw/zinc/86/52/30/1061865230.db2.gz DSLHHZMFISWQFC-GOEBONIOSA-N 1 0 455.386 2.723 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCN1CCOC[C@H]1C ZINC001290133242 1061866570 /nfs/dbraw/zinc/86/65/70/1061866570.db2.gz NXSJKMFOTKNQKC-JOCHJYFZSA-N 1 0 456.635 2.521 20 0 JFADRO CC(C)(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001286987924 1061872911 /nfs/dbraw/zinc/87/29/11/1061872911.db2.gz MXBTZRJSKLRJLT-QFIPXVFZSA-N 1 0 490.693 2.663 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001294341156 1061886864 /nfs/dbraw/zinc/88/68/64/1061886864.db2.gz DASBYUBPSUNPQU-IFMALSPDSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001294341772 1061890028 /nfs/dbraw/zinc/89/00/28/1061890028.db2.gz JZVAMEUGQYSRPE-CTNGQTDRSA-N 1 0 456.639 2.686 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC[N@H+]1CC=CCC1 ZINC001290152452 1061894111 /nfs/dbraw/zinc/89/41/11/1061894111.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 1 0 452.647 2.986 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290164742 1061906085 /nfs/dbraw/zinc/90/60/85/1061906085.db2.gz WKZKLCXEVOTUQS-QHCPKHFHSA-N 1 0 468.646 2.626 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001294347924 1061906705 /nfs/dbraw/zinc/90/67/05/1061906705.db2.gz VNHOBCZNTIPNRP-UNMCSNQZSA-N 1 0 497.692 2.535 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1CCCCO1 ZINC001286995681 1061907513 /nfs/dbraw/zinc/90/75/13/1061907513.db2.gz OREKZNVHTDQQJP-OAQYLSRUSA-N 1 0 460.667 2.963 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001290166205 1061909221 /nfs/dbraw/zinc/90/92/21/1061909221.db2.gz ZFYRHMBLWIUVOW-JOCHJYFZSA-N 1 0 453.635 2.948 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001286998483 1061911455 /nfs/dbraw/zinc/91/14/55/1061911455.db2.gz QSPHOJUSSJWTMG-NRFANRHFSA-N 1 0 481.707 2.729 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001290168405 1061911846 /nfs/dbraw/zinc/91/18/46/1061911846.db2.gz XQCNYPALFHPNSZ-QFIPXVFZSA-N 1 0 474.675 2.570 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294349008 1061912690 /nfs/dbraw/zinc/91/26/90/1061912690.db2.gz MTTGHSUOIHWVMQ-NHCUHLMSSA-N 1 0 487.693 2.654 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001290170731 1061913148 /nfs/dbraw/zinc/91/31/48/1061913148.db2.gz HOZOISXNTIMWSN-NFBKMPQASA-N 1 0 488.702 2.958 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001290170734 1061913616 /nfs/dbraw/zinc/91/36/16/1061913616.db2.gz HOZOISXNTIMWSN-REWPJTCUSA-N 1 0 488.702 2.958 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001294349328 1061913907 /nfs/dbraw/zinc/91/39/07/1061913907.db2.gz OPEMZJAVVHVNJC-HXUWFJFHSA-N 1 0 482.633 2.542 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001287000730 1061915614 /nfs/dbraw/zinc/91/56/14/1061915614.db2.gz PAXOHUAFOPMQJC-UHFFFAOYSA-N 1 0 467.680 2.624 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCCCS1(=O)=O ZINC001287000721 1061915634 /nfs/dbraw/zinc/91/56/34/1061915634.db2.gz OMJIHAGQZAGQJH-FQEVSTJZSA-N 1 0 467.680 2.624 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287001692 1061918958 /nfs/dbraw/zinc/91/89/58/1061918958.db2.gz WTGLPOFVORVRFV-HXUWFJFHSA-N 1 0 456.639 2.683 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290174368 1061919704 /nfs/dbraw/zinc/91/97/04/1061919704.db2.gz MOKBRRYSXWMEMR-DEOSSOPVSA-N 1 0 495.716 2.944 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001287004100 1061921422 /nfs/dbraw/zinc/92/14/22/1061921422.db2.gz JVIKACVHFPFNCY-MOPGFXCFSA-N 1 0 454.610 2.996 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001287006546 1061927319 /nfs/dbraw/zinc/92/73/19/1061927319.db2.gz GCOOQJLGYSYZGM-FQEVSTJZSA-N 1 0 466.696 2.844 20 0 JFADRO Cc1ccccc1O[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001290200164 1061941739 /nfs/dbraw/zinc/94/17/39/1061941739.db2.gz REFROKPBARNDQR-VQTJNVASSA-N 1 0 492.690 2.975 20 0 JFADRO Cc1ccccc1O[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001290200162 1061941871 /nfs/dbraw/zinc/94/18/71/1061941871.db2.gz REFROKPBARNDQR-PMACEKPBSA-N 1 0 492.690 2.975 20 0 JFADRO Cc1ccccc1O[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290204724 1061948402 /nfs/dbraw/zinc/94/84/02/1061948402.db2.gz NNGHMNFQJCLDFP-FGZHOGPDSA-N 1 0 468.646 2.995 20 0 JFADRO Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCOC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290213216 1061958925 /nfs/dbraw/zinc/95/89/25/1061958925.db2.gz WRRPSDUQGVXREU-OAQYLSRUSA-N 1 0 457.619 2.841 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(Cn3ccnn3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287023116 1061964235 /nfs/dbraw/zinc/96/42/35/1061964235.db2.gz GPAFDIWNUASFGA-OAQYLSRUSA-N 1 0 458.655 2.612 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287025349 1061969050 /nfs/dbraw/zinc/96/90/50/1061969050.db2.gz JQPOAXUZKXYBPN-OFVILXPXSA-N 1 0 459.610 2.951 20 0 JFADRO CCCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294410049 1061977057 /nfs/dbraw/zinc/97/70/57/1061977057.db2.gz GQEVXKRJUZDTQL-JOCHJYFZSA-N 1 0 472.609 2.568 20 0 JFADRO CC1=CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC001290230329 1061978827 /nfs/dbraw/zinc/97/88/27/1061978827.db2.gz YKPYCNFFMJFFLK-JOCHJYFZSA-N 1 0 452.603 2.864 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287030067 1061980260 /nfs/dbraw/zinc/98/02/60/1061980260.db2.gz IPAMUMXJXPSDRF-VXKWHMMOSA-N 1 0 468.646 2.860 20 0 JFADRO CN(C)C(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001290237393 1061983257 /nfs/dbraw/zinc/98/32/57/1061983257.db2.gz OTDUCLGIORZGIM-BJKOFHAPSA-N 1 0 469.029 2.788 20 0 JFADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001294418617 1061983649 /nfs/dbraw/zinc/98/36/49/1061983649.db2.gz IRMPRSXRZCLAAF-SFHVURJKSA-N 1 0 477.679 2.894 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC1CCC2(CCOCC2)CC1 ZINC001294423942 1061985049 /nfs/dbraw/zinc/98/50/49/1061985049.db2.gz ANBXVLISSKHVKR-UHFFFAOYSA-N 1 0 451.633 2.694 20 0 JFADRO CC1=CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC001290249850 1061988066 /nfs/dbraw/zinc/98/80/66/1061988066.db2.gz ATCWZQLJIPUFPP-QFIPXVFZSA-N 1 0 452.603 2.578 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 ZINC001294455070 1062001352 /nfs/dbraw/zinc/00/13/52/1062001352.db2.gz CBTUTHUNRWDPGZ-WBVHZDCISA-N 1 0 467.412 2.619 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC[C@@H]1COCCO1 ZINC001287036214 1062001951 /nfs/dbraw/zinc/00/19/51/1062001951.db2.gz UJANAUOMKQGAKW-GOSISDBHSA-N 1 0 477.572 2.763 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)C1 ZINC001294457559 1062005126 /nfs/dbraw/zinc/00/51/26/1062005126.db2.gz NZMPLLDDJCHAHX-QZTJIDSGSA-N 1 0 456.570 2.902 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2COCCO2)C1 ZINC001294458616 1062005905 /nfs/dbraw/zinc/00/59/05/1062005905.db2.gz QMKCWSBEOGONSW-WMZOPIPTSA-N 1 0 481.439 2.630 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 ZINC001294459671 1062006971 /nfs/dbraw/zinc/00/69/71/1062006971.db2.gz VQTCFLYPKUITTJ-IMWIBFENSA-N 1 0 461.582 2.877 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 ZINC001294459672 1062007192 /nfs/dbraw/zinc/00/71/92/1062007192.db2.gz VQTCFLYPKUITTJ-JXQFQVJHSA-N 1 0 461.582 2.877 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001287041162 1062008334 /nfs/dbraw/zinc/00/83/34/1062008334.db2.gz GOAYIZBQYHXBES-UHFFFAOYSA-N 1 0 474.675 2.994 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 ZINC001287042058 1062010475 /nfs/dbraw/zinc/01/04/75/1062010475.db2.gz XSBBLQIGVBNCMV-FQEVSTJZSA-N 1 0 469.696 2.945 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001287042044 1062010727 /nfs/dbraw/zinc/01/07/27/1062010727.db2.gz XGBCCUKUEJUFRR-UHFFFAOYSA-N 1 0 461.614 2.969 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001287042819 1062013441 /nfs/dbraw/zinc/01/34/41/1062013441.db2.gz IGTJLGRTVVODPQ-UHFFFAOYSA-N 1 0 488.543 2.620 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001294464894 1062014497 /nfs/dbraw/zinc/01/44/97/1062014497.db2.gz ZCSAHUHFVFAUPI-GOSISDBHSA-N 1 0 460.627 2.714 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467346 1062015477 /nfs/dbraw/zinc/01/54/77/1062015477.db2.gz FMSYTYDXXPRYTN-MSOLQXFVSA-N 1 0 477.654 2.701 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)c2ccccc2)CC1 ZINC001287043958 1062017676 /nfs/dbraw/zinc/01/76/76/1062017676.db2.gz BYCZKDXOEHUMQE-FQEVSTJZSA-N 1 0 475.659 2.957 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468084 1062018310 /nfs/dbraw/zinc/01/83/10/1062018310.db2.gz KJZLOKKXOPSOJI-MOPGFXCFSA-N 1 0 453.653 2.655 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468087 1062018471 /nfs/dbraw/zinc/01/84/71/1062018471.db2.gz KJZLOKKXOPSOJI-RTBURBONSA-N 1 0 453.653 2.655 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468245 1062019017 /nfs/dbraw/zinc/01/90/17/1062019017.db2.gz LIHRDKUIBQAHAD-TZIWHRDSSA-N 1 0 475.659 2.714 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468769 1062019352 /nfs/dbraw/zinc/01/93/52/1062019352.db2.gz PUDHIOJYRNDOBS-RBUKOAKNSA-N 1 0 478.688 2.514 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(SC)c2)C1 ZINC001294468767 1062019692 /nfs/dbraw/zinc/01/96/92/1062019692.db2.gz PUDHIOJYRNDOBS-MOPGFXCFSA-N 1 0 478.688 2.514 20 0 JFADRO 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Cc1nc([C@H]2CN(c3nnc(-c4cc(Br)cn4C)n3CC[N@@H+](C)C(C)C)CCO2)no1 ZINC001290381435 1062083407 /nfs/dbraw/zinc/08/34/07/1062083407.db2.gz ASWJXZCWUZZKBR-QGZVFWFLSA-N 1 0 493.410 2.656 20 0 JFADRO C[C@@H](C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001294571986 1062085543 /nfs/dbraw/zinc/08/55/43/1062085543.db2.gz GHEPNEIJWTYQDH-NZQKXSOJSA-N 1 0 458.647 2.997 20 0 JFADRO C[C@@H](C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001294571992 1062085645 /nfs/dbraw/zinc/08/56/45/1062085645.db2.gz GHEPNEIJWTYQDH-REWPJTCUSA-N 1 0 458.647 2.997 20 0 JFADRO Cc1nc([C@H]2CN(c3nnc(-c4cccc(Br)c4)n3C[C@@H](C)[NH+](C)C)CCO2)no1 ZINC001290383757 1062086487 /nfs/dbraw/zinc/08/64/87/1062086487.db2.gz RJXDBHXQBRUMAC-CXAGYDPISA-N 1 0 476.379 2.927 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC001290385122 1062088612 /nfs/dbraw/zinc/08/86/12/1062088612.db2.gz HGSIDDVKHMTRBG-ABSDTBQOSA-N 1 0 480.704 2.625 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCOC3)n2Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC001290385611 1062089293 /nfs/dbraw/zinc/08/92/93/1062089293.db2.gz KCGKLFFUICJWBF-HXUWFJFHSA-N 1 0 456.616 2.848 20 0 JFADRO Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)cs1 ZINC001290388128 1062091495 /nfs/dbraw/zinc/09/14/95/1062091495.db2.gz BXLYOHJIYWLOIG-SFHVURJKSA-N 1 0 461.661 2.959 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@H]3CCSC3)n2CCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC001290388682 1062092305 /nfs/dbraw/zinc/09/23/05/1062092305.db2.gz UZCWQRZQPZUNCB-OALUTQOASA-N 1 0 450.678 2.812 20 0 JFADRO CC(C)(C)OC(=O)NCC(F)(F)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001287060587 1062094319 /nfs/dbraw/zinc/09/43/19/1062094319.db2.gz KGECHTZGAYPIGV-QGZVFWFLSA-N 1 0 492.575 2.960 20 0 JFADRO CCCN(CCn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294583813 1062094846 /nfs/dbraw/zinc/09/48/46/1062094846.db2.gz KHQBBXUBNZWLII-RTWAWAEBSA-N 1 0 494.681 2.976 20 0 JFADRO Cc1nc(Cc2nnc(N(C)Cc3nccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC001290396847 1062096972 /nfs/dbraw/zinc/09/69/72/1062096972.db2.gz AGFZNTWJIWTBEI-UHFFFAOYSA-N 1 0 460.677 2.753 20 0 JFADRO Cc1nc(Cc2nnc(N(C)C[C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001290397244 1062097532 /nfs/dbraw/zinc/09/75/32/1062097532.db2.gz HDJWMEIGGALISY-HXUWFJFHSA-N 1 0 462.664 2.874 20 0 JFADRO CCCN(CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294586140 1062098211 /nfs/dbraw/zinc/09/82/11/1062098211.db2.gz UYHMLEXUDQPJLH-PMACEKPBSA-N 1 0 480.654 2.586 20 0 JFADRO CCCN(CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)C(=O)OC(C)(C)C ZINC001294586145 1062098278 /nfs/dbraw/zinc/09/82/78/1062098278.db2.gz UYHMLEXUDQPJLH-WOJBJXKFSA-N 1 0 480.654 2.586 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001287061656 1062098326 /nfs/dbraw/zinc/09/83/26/1062098326.db2.gz MMAZBDJFOQYZFQ-IRLDBZIGSA-N 1 0 499.660 2.928 20 0 JFADRO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cs1 ZINC001290404723 1062114995 /nfs/dbraw/zinc/11/49/95/1062114995.db2.gz LASHNCAOXHZZTO-OXQOHEQNSA-N 1 0 459.664 2.811 20 0 JFADRO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290410086 1062125232 /nfs/dbraw/zinc/12/52/32/1062125232.db2.gz WUFGWXQKQORWDB-JUMZHAFNSA-N 1 0 450.678 2.854 20 0 JFADRO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CC[S@](=O)C(C)(C)C)cs1 ZINC001290410088 1062125360 /nfs/dbraw/zinc/12/53/60/1062125360.db2.gz WUFGWXQKQORWDB-NQUPLYSKSA-N 1 0 450.678 2.854 20 0 JFADRO Cc1nc(Cc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CC[S@@](=O)C(C)(C)C)cs1 ZINC001290410089 1062125392 /nfs/dbraw/zinc/12/53/92/1062125392.db2.gz WUFGWXQKQORWDB-YSBVSIELSA-N 1 0 450.678 2.854 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cs1 ZINC001290410433 1062126286 /nfs/dbraw/zinc/12/62/86/1062126286.db2.gz CWIJHBKBFFPVED-HRAATJIYSA-N 1 0 459.645 2.700 20 0 JFADRO CCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294616703 1062126367 /nfs/dbraw/zinc/12/63/67/1062126367.db2.gz KQOCPKNIZDJWJR-VGSWGCGISA-N 1 0 460.573 2.936 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](C)[C@H]3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290413201 1062132011 /nfs/dbraw/zinc/13/20/11/1062132011.db2.gz BVVACHAXLGJLAW-QKLQHJQFSA-N 1 0 459.664 2.811 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001287065242 1062134061 /nfs/dbraw/zinc/13/40/61/1062134061.db2.gz BMGPHIDXMLRPMD-NRFANRHFSA-N 1 0 492.665 2.512 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001287065291 1062134130 /nfs/dbraw/zinc/13/41/30/1062134130.db2.gz MURXMLHBTLPJFH-HXUWFJFHSA-N 1 0 485.633 2.946 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(CO)CC3)n2Cc2cccc(OCC[NH+](C)C)c2)cs1 ZINC001290416513 1062138795 /nfs/dbraw/zinc/13/87/95/1062138795.db2.gz AWKBUFDUHCKGFO-UHFFFAOYSA-N 1 0 470.643 2.831 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)C1 ZINC001294633068 1062141046 /nfs/dbraw/zinc/14/10/46/1062141046.db2.gz LGVCXIMXHHIJII-GBWYYYKWSA-N 1 0 476.666 2.701 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(CC(N)=O)CC3)n2CC(C)(C)[NH+]2CCCCC2)cs1 ZINC001290417496 1062145484 /nfs/dbraw/zinc/14/54/84/1062145484.db2.gz LVWRJWMQCVZXPP-UHFFFAOYSA-N 1 0 459.664 2.990 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCc2cccc(C(N)=O)c2)cs1 ZINC001290418120 1062149866 /nfs/dbraw/zinc/14/98/66/1062149866.db2.gz XNJWUGSJOHEDNG-UHFFFAOYSA-N 1 0 467.643 2.942 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCCC2)C1 ZINC001287066623 1062150257 /nfs/dbraw/zinc/15/02/57/1062150257.db2.gz VWQCUMYCDLWBJK-LJQANCHMSA-N 1 0 455.607 2.711 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001294637531 1062152079 /nfs/dbraw/zinc/15/20/79/1062152079.db2.gz JZCWFMXXCGUGNB-IBGZPJMESA-N 1 0 462.664 2.955 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001294637888 1062152850 /nfs/dbraw/zinc/15/28/50/1062152850.db2.gz NAHXUJREDSTRCP-IRLDBZIGSA-N 1 0 470.618 2.731 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001294639730 1062155542 /nfs/dbraw/zinc/15/55/42/1062155542.db2.gz VTKXBYANASISGF-HXUWFJFHSA-N 1 0 455.607 2.909 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](NC(=O)OCC)C2)CC1 ZINC001294639712 1062155554 /nfs/dbraw/zinc/15/55/54/1062155554.db2.gz VFOVWHVIBDHOFJ-HXUWFJFHSA-N 1 0 498.632 2.762 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294640849 1062158410 /nfs/dbraw/zinc/15/84/10/1062158410.db2.gz GSKOHVJDNLLLDK-WBVHZDCISA-N 1 0 499.479 2.781 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C)nnc2N2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 ZINC001294641333 1062162985 /nfs/dbraw/zinc/16/29/85/1062162985.db2.gz MEHVNGFDVDHLIZ-UHFFFAOYSA-N 1 0 459.683 2.525 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001294642289 1062165193 /nfs/dbraw/zinc/16/51/93/1062165193.db2.gz UCNMPDNUCRACQC-AEFFLSMTSA-N 1 0 463.545 2.892 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001294642293 1062165388 /nfs/dbraw/zinc/16/53/88/1062165388.db2.gz UCNMPDNUCRACQC-SJLPKXTDSA-N 1 0 463.545 2.892 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCC[N@@H+](C)Cc2ccccc2)cs1 ZINC001290424089 1062166627 /nfs/dbraw/zinc/16/66/27/1062166627.db2.gz PUSRHYHNRCBZAB-FQEVSTJZSA-N 1 0 467.643 2.858 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001294647091 1062180810 /nfs/dbraw/zinc/18/08/10/1062180810.db2.gz BHTMPZJKXGBCEJ-SFHVURJKSA-N 1 0 461.632 2.696 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294647774 1062183597 /nfs/dbraw/zinc/18/35/97/1062183597.db2.gz FXPRTDACQLFPKT-LJQANCHMSA-N 1 0 470.618 2.799 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001287069837 1062186327 /nfs/dbraw/zinc/18/63/27/1062186327.db2.gz MEYZBRODMZQSSX-FQEVSTJZSA-N 1 0 492.665 2.778 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001294648928 1062188954 /nfs/dbraw/zinc/18/89/54/1062188954.db2.gz LLRWQQVOWIBFOB-IQGLISFBSA-N 1 0 470.618 2.657 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001294649580 1062192274 /nfs/dbraw/zinc/19/22/74/1062192274.db2.gz CWIULYDIXMFAJD-UHFFFAOYSA-N 1 0 454.623 2.598 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001294649971 1062194431 /nfs/dbraw/zinc/19/44/31/1062194431.db2.gz GDOYLLXEESNQCM-QGZVFWFLSA-N 1 0 452.529 2.541 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCNC(=O)c2ccco2)cs1 ZINC001290432716 1062196371 /nfs/dbraw/zinc/19/63/71/1062196371.db2.gz QVTTXVJOPHXWHV-UHFFFAOYSA-N 1 0 457.604 2.577 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C)n3)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)C1 ZINC001294651254 1062197069 /nfs/dbraw/zinc/19/70/69/1062197069.db2.gz NUFQCYYWAUKMAC-FQEVSTJZSA-N 1 0 489.690 2.631 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCc2cccc(C(N)=O)c2)cs1 ZINC001290433580 1062199459 /nfs/dbraw/zinc/19/94/59/1062199459.db2.gz XLZBNYREBINCAB-UHFFFAOYSA-N 1 0 453.616 2.506 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC001294655356 1062200219 /nfs/dbraw/zinc/20/02/19/1062200219.db2.gz AVJSGDIFILYNRY-BVSLBCMMSA-N 1 0 496.722 2.748 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001294656838 1062201653 /nfs/dbraw/zinc/20/16/53/1062201653.db2.gz IJQIMPHSKGDSQH-RBUKOAKNSA-N 1 0 456.591 2.615 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2Cc2ccn(C)n2)cs1 ZINC001290435009 1062201961 /nfs/dbraw/zinc/20/19/61/1062201961.db2.gz DKWXVXHRLPSXNB-UHFFFAOYSA-N 1 0 498.579 2.507 20 0 JFADRO Cc1nc(Cc2nnc(N3CCNC(=O)C3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)cs1 ZINC001290435005 1062202116 /nfs/dbraw/zinc/20/21/16/1062202116.db2.gz DARSXAGVQNFRIR-MRXNPFEDSA-N 1 0 453.616 2.699 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCCC3)nnc2N2CCC(N(C)S(=O)(=O)CC)CC2)C1 ZINC001294657908 1062202359 /nfs/dbraw/zinc/20/23/59/1062202359.db2.gz NZKWQMYVEWGVGZ-IBGZPJMESA-N 1 0 466.696 2.918 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294657770 1062202424 /nfs/dbraw/zinc/20/24/24/1062202424.db2.gz LNZVYRRVMAVNEG-HAGHYFMRSA-N 1 0 462.639 2.863 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001294657771 1062202650 /nfs/dbraw/zinc/20/26/50/1062202650.db2.gz LNZVYRRVMAVNEG-IYWMVGAKSA-N 1 0 462.639 2.863 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC)c(F)c2)C1 ZINC001294658356 1062203774 /nfs/dbraw/zinc/20/37/74/1062203774.db2.gz PBZQGQARWROPGD-MOPGFXCFSA-N 1 0 479.622 2.696 20 0 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CCCN1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCC2)CC1=O ZINC001294720522 1062296110 /nfs/dbraw/zinc/29/61/10/1062296110.db2.gz ITWNGGIVVXXEFJ-UHFFFAOYSA-N 1 0 470.618 2.895 20 0 JFADRO CC(C)(Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001287095708 1062299587 /nfs/dbraw/zinc/29/95/87/1062299587.db2.gz ZJZFCHGNNXKTCP-QGZVFWFLSA-N 1 0 479.551 2.967 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(CC)cc3)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001294724500 1062304745 /nfs/dbraw/zinc/30/47/45/1062304745.db2.gz GXQSYAVZZCOVEN-UHFFFAOYSA-N 1 0 468.646 2.803 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1=O ZINC001294724632 1062305177 /nfs/dbraw/zinc/30/51/77/1062305177.db2.gz SNEKWICTFNUTOS-OAQYLSRUSA-N 1 0 454.619 2.895 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC001294725101 1062307778 /nfs/dbraw/zinc/30/77/78/1062307778.db2.gz RQVKYFKXUYQVBA-OALUTQOASA-N 1 0 490.052 2.942 20 0 JFADRO Cc1nccn1CCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001290511333 1062310124 /nfs/dbraw/zinc/31/01/24/1062310124.db2.gz RBEOZBJPBJWXLJ-UHFFFAOYSA-N 1 0 456.639 2.668 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+](C)Cc2ccccc2)CC1=O ZINC001294731517 1062311837 /nfs/dbraw/zinc/31/18/37/1062311837.db2.gz UZEYUJVRCAVHSX-UHFFFAOYSA-N 1 0 464.618 2.649 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001294733192 1062314200 /nfs/dbraw/zinc/31/42/00/1062314200.db2.gz LBRUHQHFDKLAPM-FGZHOGPDSA-N 1 0 454.619 2.842 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001294733026 1062314275 /nfs/dbraw/zinc/31/42/75/1062314275.db2.gz JYOPKBNJDOLWJM-FGZHOGPDSA-N 1 0 460.667 2.989 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001287110949 1062325870 /nfs/dbraw/zinc/32/58/70/1062325870.db2.gz XUHQLVYYWKZTTF-HSZRJFAPSA-N 1 0 468.646 2.999 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001287111908 1062327317 /nfs/dbraw/zinc/32/73/17/1062327317.db2.gz CEZGTPFSMFVANU-HSZRJFAPSA-N 1 0 484.645 2.813 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294743292 1062331333 /nfs/dbraw/zinc/33/13/33/1062331333.db2.gz MSLQRWKVWLSAJW-FCHUYYIVSA-N 1 0 476.666 2.715 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1 ZINC001294743540 1062332226 /nfs/dbraw/zinc/33/22/26/1062332226.db2.gz BRWWERNLABFNMT-KRWDZBQOSA-N 1 0 466.590 2.576 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287113669 1062333701 /nfs/dbraw/zinc/33/37/01/1062333701.db2.gz KYYHCLRPNDDKLC-UHFFFAOYSA-N 1 0 458.582 2.501 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001294743938 1062334033 /nfs/dbraw/zinc/33/40/33/1062334033.db2.gz HUALFGRYNIZEPI-DSKINZAPSA-N 1 0 478.638 2.896 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001294744461 1062335870 /nfs/dbraw/zinc/33/58/70/1062335870.db2.gz UWUNXYLPKCCAAV-FQEVSTJZSA-N 1 0 490.697 2.701 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001287114247 1062335928 /nfs/dbraw/zinc/33/59/28/1062335928.db2.gz DVQHRXINRKVZEN-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294744598 1062336670 /nfs/dbraw/zinc/33/66/70/1062336670.db2.gz YETCWNWYCRROGC-OALUTQOASA-N 1 0 498.632 2.903 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294744794 1062337184 /nfs/dbraw/zinc/33/71/84/1062337184.db2.gz DKSOGBCFCHTQHQ-KRWDZBQOSA-N 1 0 469.558 2.656 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@H]1C ZINC001290537402 1062337234 /nfs/dbraw/zinc/33/72/34/1062337234.db2.gz BGXFTLJRGFUIKY-GOSISDBHSA-N 1 0 456.639 2.765 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290537685 1062338312 /nfs/dbraw/zinc/33/83/12/1062338312.db2.gz ICVVPBFGBORYFS-FQEVSTJZSA-N 1 0 470.647 2.865 20 0 JFADRO Cc1nccnc1N1CCN(c2nnc(CC(C)(C)C)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001290537747 1062338717 /nfs/dbraw/zinc/33/87/17/1062338717.db2.gz KFIXVAPXQJGQLC-UHFFFAOYSA-N 1 0 483.709 2.565 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294751796 1062340812 /nfs/dbraw/zinc/34/08/12/1062340812.db2.gz YKGDHDNGZZFLDC-UQBPGWFLSA-N 1 0 470.618 2.799 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001294753589 1062342195 /nfs/dbraw/zinc/34/21/95/1062342195.db2.gz OOSIJCDFKLOGGI-CTNGQTDRSA-N 1 0 470.666 2.932 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccc(F)cc1 ZINC001294754113 1062342778 /nfs/dbraw/zinc/34/27/78/1062342778.db2.gz BDZTVGZDBQRBPC-ICSRJNTNSA-N 1 0 479.622 2.709 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001290542679 1062343732 /nfs/dbraw/zinc/34/37/32/1062343732.db2.gz SYWUCLBWDJGQCY-MZNJEOGPSA-N 1 0 459.639 2.788 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294754538 1062344323 /nfs/dbraw/zinc/34/43/23/1062344323.db2.gz FMKGVYVNCZPLAY-UXHICEINSA-N 1 0 489.665 2.579 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccc(O)c1 ZINC001294755787 1062346237 /nfs/dbraw/zinc/34/62/37/1062346237.db2.gz SMIGOYBLUKWWMD-HOJAQTOUSA-N 1 0 461.632 2.958 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290546671 1062346235 /nfs/dbraw/zinc/34/62/35/1062346235.db2.gz HGXDZUUURWCIQB-RTWAWAEBSA-N 1 0 459.639 2.516 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290546665 1062346418 /nfs/dbraw/zinc/34/64/18/1062346418.db2.gz HGXDZUUURWCIQB-LEWJYISDSA-N 1 0 459.639 2.516 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294757152 1062347491 /nfs/dbraw/zinc/34/74/91/1062347491.db2.gz JOQJVVVXDJAKJP-PMACEKPBSA-N 1 0 489.665 2.721 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294758145 1062348598 /nfs/dbraw/zinc/34/85/98/1062348598.db2.gz ULJJZTQBRFRKQT-MSOLQXFVSA-N 1 0 474.631 2.533 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294759351 1062349523 /nfs/dbraw/zinc/34/95/23/1062349523.db2.gz CDCJCRCIOKWHMP-HFMPRLQTSA-N 1 0 497.706 2.597 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294760090 1062349942 /nfs/dbraw/zinc/34/99/42/1062349942.db2.gz JWHXFFAQQKGICL-WOVHNISZSA-N 1 0 490.693 2.936 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294760124 1062350791 /nfs/dbraw/zinc/35/07/91/1062350791.db2.gz LGQDMHZGOGJNRL-VQTJNVASSA-N 1 0 479.622 2.884 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001294763819 1062352375 /nfs/dbraw/zinc/35/23/75/1062352375.db2.gz GNYMMMHJDZTONG-UFYCRDLUSA-N 1 0 488.599 2.951 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290549475 1062352695 /nfs/dbraw/zinc/35/26/95/1062352695.db2.gz MJOFGLDZKDIPMO-HXUWFJFHSA-N 1 0 470.647 2.752 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC2([NH+](C)C)CCC2)c2ccccc2c1=O ZINC001294764195 1062352813 /nfs/dbraw/zinc/35/28/13/1062352813.db2.gz JFUBHNJUWYGASM-UHFFFAOYSA-N 1 0 494.644 2.510 20 0 JFADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCC34CCC4)cn2)CC1 ZINC001290550132 1062353213 /nfs/dbraw/zinc/35/32/13/1062353213.db2.gz ZAADYEQEDIKWCA-HXUWFJFHSA-N 1 0 457.619 2.877 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C1 ZINC001287119329 1062357983 /nfs/dbraw/zinc/35/79/83/1062357983.db2.gz HSOPYPWETZHKPD-IBGZPJMESA-N 1 0 490.649 2.786 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287119658 1062360133 /nfs/dbraw/zinc/36/01/33/1062360133.db2.gz BDLQCSYPFDILHB-QHCPKHFHSA-N 1 0 457.648 2.518 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001287119657 1062360292 /nfs/dbraw/zinc/36/02/92/1062360292.db2.gz BDLQCSYPFDILHB-HSZRJFAPSA-N 1 0 457.648 2.518 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CCOC)n2CC[N@@H+]2CCC[C@H]2C)c2ccccc2c1=O ZINC001294766799 1062360263 /nfs/dbraw/zinc/36/02/63/1062360263.db2.gz UAKOKBUKEFXGBL-GOSISDBHSA-N 1 0 453.591 2.632 20 0 JFADRO CCCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768368 1062362571 /nfs/dbraw/zinc/36/25/71/1062362571.db2.gz NPYZCRJTZAWZRN-OALUTQOASA-N 1 0 494.644 2.509 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001290563026 1062364704 /nfs/dbraw/zinc/36/47/04/1062364704.db2.gz HDPACOSFTRSXAY-LJQANCHMSA-N 1 0 456.683 2.980 20 0 JFADRO 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CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156910 1062545341 /nfs/dbraw/zinc/54/53/41/1062545341.db2.gz RLXYXGLIIIBQFO-RBBKRZOGSA-N 1 0 489.690 2.568 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001294847564 1062546284 /nfs/dbraw/zinc/54/62/84/1062546284.db2.gz UIBOWPVSQPGLFM-UHFFFAOYSA-N 1 0 464.618 2.616 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001287157494 1062548069 /nfs/dbraw/zinc/54/80/69/1062548069.db2.gz NPYBBVVGYMQZHY-PKOBYXMFSA-N 1 0 481.439 2.628 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001290650133 1062549037 /nfs/dbraw/zinc/54/90/37/1062549037.db2.gz XMSRIVPJCZAKQN-VXKWHMMOSA-N 1 0 473.666 2.628 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294851051 1062551145 /nfs/dbraw/zinc/55/11/45/1062551145.db2.gz RUGWQLBXHROBLD-BGYRXZFFSA-N 1 0 469.634 2.582 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4C[C@]4(NC(=O)OC(C)(C)C)C3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001290654053 1062553455 /nfs/dbraw/zinc/55/34/55/1062553455.db2.gz ZGPRIACWAPHCJB-CPJSRVTESA-N 1 0 486.665 2.973 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287159517 1062556417 /nfs/dbraw/zinc/55/64/17/1062556417.db2.gz BYPOPMMIPCBIOS-FPOVZHCZSA-N 1 0 463.623 2.752 20 0 JFADRO CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001294858447 1062558974 /nfs/dbraw/zinc/55/89/74/1062558974.db2.gz BAOLQPGFDWVTIN-HXUWFJFHSA-N 1 0 475.037 2.597 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287160994 1062561093 /nfs/dbraw/zinc/56/10/93/1062561093.db2.gz LBSMUAFSWROUCV-NRFANRHFSA-N 1 0 494.731 2.816 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(Cc4ccncc4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)n1 ZINC001290658643 1062561833 /nfs/dbraw/zinc/56/18/33/1062561833.db2.gz BNUQPLSOOGNMSP-BJKOFHAPSA-N 1 0 480.661 2.959 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccnc4)n3CC(C)(C)C[NH+](C)C)CCO2)n1 ZINC001290660440 1062566517 /nfs/dbraw/zinc/56/65/17/1062566517.db2.gz MUYDHNPRBOYLSG-NRFANRHFSA-N 1 0 452.607 2.647 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CCO2)n1 ZINC001290660401 1062566635 /nfs/dbraw/zinc/56/66/35/1062566635.db2.gz MPOHXNYXBXGVRG-QFIPXVFZSA-N 1 0 486.709 2.611 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CCO2)n1 ZINC001290660966 1062568541 /nfs/dbraw/zinc/56/85/41/1062568541.db2.gz RKVZAYNGIUWTHT-QFIPXVFZSA-N 1 0 488.036 2.895 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287164620 1062574412 /nfs/dbraw/zinc/57/44/12/1062574412.db2.gz LIDUBWHJQBHILU-HSALFYBXSA-N 1 0 453.653 2.654 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287164623 1062574471 /nfs/dbraw/zinc/57/44/71/1062574471.db2.gz LIDUBWHJQBHILU-XUVXKRRUSA-N 1 0 453.653 2.654 20 0 JFADRO Cc1cc(C)n(CCCn2c(N3CC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n1 ZINC001290671263 1062580181 /nfs/dbraw/zinc/58/01/81/1062580181.db2.gz HQHWCWCUZFONBY-XMMPIXPASA-N 1 0 459.639 2.753 20 0 JFADRO CC(C)c1nc([C@@H]2CN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)CCO2)no1 ZINC001287170143 1062585557 /nfs/dbraw/zinc/58/55/57/1062585557.db2.gz PBKSEBYTVHNGML-IBGZPJMESA-N 1 0 488.637 2.604 20 0 JFADRO CC(C)c1nc([C@H]2CN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)CCO2)no1 ZINC001287170144 1062585575 /nfs/dbraw/zinc/58/55/75/1062585575.db2.gz PBKSEBYTVHNGML-LJQANCHMSA-N 1 0 488.637 2.604 20 0 JFADRO CC(C)c1nc([C@H]2CN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)CCO2)no1 ZINC001287170978 1062587564 /nfs/dbraw/zinc/58/75/64/1062587564.db2.gz VLDUVGAWVISSKA-GOSISDBHSA-N 1 0 456.595 2.956 20 0 JFADRO CCCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294879505 1062592095 /nfs/dbraw/zinc/59/20/95/1062592095.db2.gz DILBTIPORBCMMR-ROUUACIJSA-N 1 0 474.675 2.815 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001294887265 1062606696 /nfs/dbraw/zinc/60/66/96/1062606696.db2.gz GHMARFVCGNSKER-UHFFFAOYSA-N 1 0 465.602 2.567 20 0 JFADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 ZINC001287185656 1062610926 /nfs/dbraw/zinc/61/09/26/1062610926.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 1 0 472.682 2.765 20 0 JFADRO CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001287191198 1062616762 /nfs/dbraw/zinc/61/67/62/1062616762.db2.gz AERDDNBXPOBUIG-AOMKIAJQSA-N 1 0 459.620 2.580 20 0 JFADRO CCCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001294894869 1062623332 /nfs/dbraw/zinc/62/33/32/1062623332.db2.gz GBDSLXLAHNLHSB-UHFFFAOYSA-N 1 0 450.591 2.624 20 0 JFADRO CC(C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287193391 1062623764 /nfs/dbraw/zinc/62/37/64/1062623764.db2.gz PFUSBKSBUMKEMV-UNMCSNQZSA-N 1 0 474.675 2.784 20 0 JFADRO CC(C)c1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287197618 1062631680 /nfs/dbraw/zinc/63/16/80/1062631680.db2.gz CTFJSKWIWKZWEJ-UHFFFAOYSA-N 1 0 487.615 2.570 20 0 JFADRO CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287200574 1062639300 /nfs/dbraw/zinc/63/93/00/1062639300.db2.gz GAXPVLODIOYFRO-JOCHJYFZSA-N 1 0 483.661 2.532 20 0 JFADRO CC(C)c1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287202571 1062646231 /nfs/dbraw/zinc/64/62/31/1062646231.db2.gz VTGRSWSJHSPTPL-UHFFFAOYSA-N 1 0 472.609 2.786 20 0 JFADRO Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290714094 1062646574 /nfs/dbraw/zinc/64/65/74/1062646574.db2.gz UJORZGVYBWTVAW-RTWAWAEBSA-N 1 0 462.664 2.515 20 0 JFADRO CC(C)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287203851 1062648016 /nfs/dbraw/zinc/64/80/16/1062648016.db2.gz ZXTAAAUUJQHESH-JOCHJYFZSA-N 1 0 468.646 2.832 20 0 JFADRO CC(C)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001287204651 1062649604 /nfs/dbraw/zinc/64/96/04/1062649604.db2.gz YGMIRBXJCOELOP-DEOSSOPVSA-N 1 0 475.659 2.600 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001287205797 1062651557 /nfs/dbraw/zinc/65/15/57/1062651557.db2.gz DOQCXCHQHLIYPW-NRFANRHFSA-N 1 0 453.635 2.706 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001287209851 1062659429 /nfs/dbraw/zinc/65/94/29/1062659429.db2.gz MHFMDDVRAWCPFN-OAQYLSRUSA-N 1 0 484.711 2.541 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001287212081 1062664886 /nfs/dbraw/zinc/66/48/86/1062664886.db2.gz MAMUCHWBXOOAAC-IBGZPJMESA-N 1 0 484.736 2.529 20 0 JFADRO CCCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001294911560 1062664866 /nfs/dbraw/zinc/66/48/66/1062664866.db2.gz CEIQXVMAPAHZAR-HSZRJFAPSA-N 1 0 497.688 2.605 20 0 JFADRO CC(C)c1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCOCC[NH+](C)C ZINC001287212761 1062668036 /nfs/dbraw/zinc/66/80/36/1062668036.db2.gz WNAZMUBCGMDXIX-UHFFFAOYSA-N 1 0 463.026 2.986 20 0 JFADRO Cc1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750505 1062668491 /nfs/dbraw/zinc/66/84/91/1062668491.db2.gz ACZNIOMSHZIIHO-CYFREDJKSA-N 1 0 480.654 2.598 20 0 JFADRO CC(C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287213323 1062670493 /nfs/dbraw/zinc/67/04/93/1062670493.db2.gz CIYZOSOYGGULSK-UHFFFAOYSA-N 1 0 460.627 2.714 20 0 JFADRO Cc1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290759578 1062671746 /nfs/dbraw/zinc/67/17/46/1062671746.db2.gz HOWXKOOIOGGFOQ-SBHAEUEKSA-N 1 0 454.619 2.964 20 0 JFADRO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001294914863 1062672474 /nfs/dbraw/zinc/67/24/74/1062672474.db2.gz XPVXFAUSFAMZGN-AEFFLSMTSA-N 1 0 491.434 2.819 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001287214127 1062674923 /nfs/dbraw/zinc/67/49/23/1062674923.db2.gz IWBKJRRFTGTABH-IBGZPJMESA-N 1 0 479.551 2.801 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCOc1cccc(Cl)c1 ZINC001287214204 1062676394 /nfs/dbraw/zinc/67/63/94/1062676394.db2.gz KFPOEBAGQTYVJD-HXUWFJFHSA-N 1 0 461.010 2.877 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287214405 1062677595 /nfs/dbraw/zinc/67/75/95/1062677595.db2.gz LDJBOLARZWHVJK-HSZRJFAPSA-N 1 0 460.623 2.940 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001290768389 1062682000 /nfs/dbraw/zinc/68/20/00/1062682000.db2.gz CEQRPXDIIJGMRN-UHFFFAOYSA-N 1 0 474.597 2.843 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001290769531 1062685236 /nfs/dbraw/zinc/68/52/36/1062685236.db2.gz JKILBFJWETYVSS-SFHVURJKSA-N 1 0 456.488 2.923 20 0 JFADRO Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001290771545 1062689492 /nfs/dbraw/zinc/68/94/92/1062689492.db2.gz HJKYZVCJXCAKEP-GYCJOSAFSA-N 1 0 453.591 2.530 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001294924647 1062694391 /nfs/dbraw/zinc/69/43/91/1062694391.db2.gz KBXPDIBVYUGQFQ-ROUUACIJSA-N 1 0 470.618 2.892 20 0 JFADRO CC(C)c1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001287218522 1062699108 /nfs/dbraw/zinc/69/91/08/1062699108.db2.gz AANMMUUIUZYOAH-UHFFFAOYSA-N 1 0 475.037 2.751 20 0 JFADRO Cc1nnc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290793638 1062700466 /nfs/dbraw/zinc/70/04/66/1062700466.db2.gz JZCWWJHKSOJMGZ-ZIFCJYIRSA-N 1 0 450.628 2.920 20 0 JFADRO Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001290794236 1062701229 /nfs/dbraw/zinc/70/12/29/1062701229.db2.gz ZKSCQKCFSYWLTC-PMACEKPBSA-N 1 0 470.666 2.725 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001287220418 1062704573 /nfs/dbraw/zinc/70/45/73/1062704573.db2.gz VZHFUZIZVPHNNX-ROUUACIJSA-N 1 0 458.573 2.975 20 0 JFADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001290802652 1062706522 /nfs/dbraw/zinc/70/65/22/1062706522.db2.gz WIXNRRNFRKQPQM-JGCGQSQUSA-N 1 0 458.676 2.508 20 0 JFADRO Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCCS(=O)(=O)c1ccccc1 ZINC001290809061 1062710582 /nfs/dbraw/zinc/71/05/82/1062710582.db2.gz MPAYFTPTDQKLCK-UHFFFAOYSA-N 1 0 461.632 2.532 20 0 JFADRO CC[C@H](CNC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001290815863 1062713169 /nfs/dbraw/zinc/71/31/69/1062713169.db2.gz ZWEXUMCNVJUJQN-NHCUHLMSSA-N 1 0 458.628 2.933 20 0 JFADRO Cc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290820286 1062716329 /nfs/dbraw/zinc/71/63/29/1062716329.db2.gz UMVVHJYDPDWQDB-GOSISDBHSA-N 1 0 476.025 2.725 20 0 JFADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCOCC[NH+](C)C)CC2)n1 ZINC001287230143 1062718272 /nfs/dbraw/zinc/71/82/72/1062718272.db2.gz IPAKOVVYWQVZPD-GOSISDBHSA-N 1 0 462.643 2.543 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001287231160 1062719505 /nfs/dbraw/zinc/71/95/05/1062719505.db2.gz DIVKLVNGRJPWDH-NJYVYQBISA-N 1 0 496.722 2.604 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290829094 1062722414 /nfs/dbraw/zinc/72/24/14/1062722414.db2.gz QVEYQHBACGURCX-BJKOFHAPSA-N 1 0 468.646 2.866 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287235374 1062728062 /nfs/dbraw/zinc/72/80/62/1062728062.db2.gz ZNMHDPVGQFCFFN-VSKRKVRLSA-N 1 0 496.722 2.604 20 0 JFADRO Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001290841992 1062731138 /nfs/dbraw/zinc/73/11/38/1062731138.db2.gz IRBUYWWDWDNYOF-FQEVSTJZSA-N 1 0 472.609 2.508 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1OC ZINC001294947680 1062732732 /nfs/dbraw/zinc/73/27/32/1062732732.db2.gz TYUNMGRSSYRKMX-IBGZPJMESA-N 1 0 473.618 2.814 20 0 JFADRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)cc2)C[C@@H](C)O1 ZINC001290846538 1062732998 /nfs/dbraw/zinc/73/29/98/1062732998.db2.gz FELYUEQAVKYXLE-AHWCRGGASA-N 1 0 455.580 2.616 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294948453 1062733831 /nfs/dbraw/zinc/73/38/31/1062733831.db2.gz ZPAKUBPKEXVLBS-SBUREZEXSA-N 1 0 461.632 2.751 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCSC[C@@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294948445 1062733890 /nfs/dbraw/zinc/73/38/90/1062733890.db2.gz ZPAKUBPKEXVLBS-GAJHUEQPSA-N 1 0 461.632 2.751 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294948456 1062733999 /nfs/dbraw/zinc/73/39/99/1062733999.db2.gz ZPAKUBPKEXVLBS-UZUQRXQVSA-N 1 0 461.632 2.751 20 0 JFADRO C[NH+]1CCN(Cc2ccc(NC(=O)C3(C4(O)CN(C(=O)OC(C)(C)C)C4)CCC3)cc2)CC1 ZINC001290852512 1062737407 /nfs/dbraw/zinc/73/74/07/1062737407.db2.gz RAWQLYLDPASAKI-UHFFFAOYSA-N 1 0 458.603 2.525 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)cc2)CC1 ZINC001290854820 1062738672 /nfs/dbraw/zinc/73/86/72/1062738672.db2.gz YFWUZYNNDMQERA-VWLOTQADSA-N 1 0 455.603 2.653 20 0 JFADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001290857421 1062741539 /nfs/dbraw/zinc/74/15/39/1062741539.db2.gz MRTCFHODUUTAGV-UMEGOILYSA-N 1 0 459.683 2.666 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287270731 1062745146 /nfs/dbraw/zinc/74/51/46/1062745146.db2.gz DELMTDFWIXWBHR-LJQANCHMSA-N 1 0 473.691 2.778 20 0 JFADRO Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001290866884 1062748835 /nfs/dbraw/zinc/74/88/35/1062748835.db2.gz DZURLGKOHLLCFU-UHFFFAOYSA-N 1 0 463.671 2.838 20 0 JFADRO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cn1 ZINC001294969387 1062751682 /nfs/dbraw/zinc/75/16/82/1062751682.db2.gz UYZBXZXRPSCTDE-RTBURBONSA-N 1 0 455.607 2.552 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001287277196 1062754173 /nfs/dbraw/zinc/75/41/73/1062754173.db2.gz KSJDKZUUOJJCLM-VQIMIIECSA-N 1 0 451.662 2.877 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001287277498 1062754729 /nfs/dbraw/zinc/75/47/29/1062754729.db2.gz RKDWTUHTLHJWBU-HXUWFJFHSA-N 1 0 461.632 2.694 20 0 JFADRO Cc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290872344 1062758289 /nfs/dbraw/zinc/75/82/89/1062758289.db2.gz ZFNXRXPBJRCKIS-GMAHTHKFSA-N 1 0 470.643 2.513 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290872343 1062758362 /nfs/dbraw/zinc/75/83/62/1062758362.db2.gz ZFNXRXPBJRCKIS-GGAORHGYSA-N 1 0 470.643 2.513 20 0 JFADRO Cc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001290877365 1062762299 /nfs/dbraw/zinc/76/22/99/1062762299.db2.gz URMYGFZEWXATJO-RTWAWAEBSA-N 1 0 462.639 2.925 20 0 JFADRO CCCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294982479 1062766964 /nfs/dbraw/zinc/76/69/64/1062766964.db2.gz PMTMVGQFMGIAFA-FQEVSTJZSA-N 1 0 452.607 2.902 20 0 JFADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892081 1062769917 /nfs/dbraw/zinc/76/99/17/1062769917.db2.gz RSDQJQFUCSNLGN-WIYYLYMNSA-N 1 0 458.603 2.612 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287298453 1062770514 /nfs/dbraw/zinc/77/05/14/1062770514.db2.gz BXLBATFBNGEDMN-GXRSIYKFSA-N 1 0 463.667 2.905 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294987009 1062774281 /nfs/dbraw/zinc/77/42/81/1062774281.db2.gz MDBQKEPTXIXIDM-HBMCJLEFSA-N 1 0 464.655 2.701 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290902563 1062775805 /nfs/dbraw/zinc/77/58/05/1062775805.db2.gz LXGOTUIXICVRFC-OTWHNJEPSA-N 1 0 474.654 2.864 20 0 JFADRO Cc1noc([C@@H](C)N2CCN(c3nnc([C@@H]4CCCOC4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001290902759 1062776968 /nfs/dbraw/zinc/77/69/68/1062776968.db2.gz OFXVQSRRBTXJEJ-TZIWHRDSSA-N 1 0 474.654 2.866 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294997231 1062783829 /nfs/dbraw/zinc/78/38/29/1062783829.db2.gz GIISHKUZNXNKSD-MHTWAQMVSA-N 1 0 462.639 2.514 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001294998669 1062785553 /nfs/dbraw/zinc/78/55/53/1062785553.db2.gz OGSNUUHGESBGLY-OALUTQOASA-N 1 0 464.680 2.842 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001294998670 1062785658 /nfs/dbraw/zinc/78/56/58/1062785658.db2.gz OGSNUUHGESBGLY-RBUKOAKNSA-N 1 0 464.680 2.842 20 0 JFADRO CC(C)C[C@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287318495 1062789900 /nfs/dbraw/zinc/78/99/00/1062789900.db2.gz BWAJQOXFLNLYEV-FGZHOGPDSA-N 1 0 455.651 2.726 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287319771 1062793026 /nfs/dbraw/zinc/79/30/26/1062793026.db2.gz OCQVIJPPBIJAIL-NRFANRHFSA-N 1 0 492.628 2.934 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC001287320704 1062794963 /nfs/dbraw/zinc/79/49/63/1062794963.db2.gz WXYKSIGIVMNNDZ-IBGZPJMESA-N 1 0 459.614 2.858 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2F)CC1)[NH+](C)C ZINC001287320708 1062795079 /nfs/dbraw/zinc/79/50/79/1062795079.db2.gz WXYKSIGIVMNNDZ-LJQANCHMSA-N 1 0 459.614 2.858 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)cc2)CC1 ZINC001290920037 1062795488 /nfs/dbraw/zinc/79/54/88/1062795488.db2.gz BVJDYTTXBGWYKA-IBGZPJMESA-N 1 0 454.562 2.989 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc(S(=O)(=O)C(F)F)c3)cc2)CC1 ZINC001290921022 1062796556 /nfs/dbraw/zinc/79/65/56/1062796556.db2.gz SAZOHWDEXWGAGS-UHFFFAOYSA-N 1 0 451.539 2.750 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC001287321404 1062797898 /nfs/dbraw/zinc/79/78/98/1062797898.db2.gz GQTOKARHHRMWSV-CWJKEVGVSA-N 1 0 480.654 2.807 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295009579 1062797882 /nfs/dbraw/zinc/79/78/82/1062797882.db2.gz XTMWMEJVLULNIX-NLFFAJNJSA-N 1 0 473.618 2.718 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001287321410 1062798055 /nfs/dbraw/zinc/79/80/55/1062798055.db2.gz GQXILDDEDHNNBC-UIFIKXQLSA-N 1 0 496.653 2.582 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290925011 1062799503 /nfs/dbraw/zinc/79/95/03/1062799503.db2.gz AZNFXOKGWKKPNT-RUZDIDTESA-N 1 0 490.649 2.795 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001287321891 1062799888 /nfs/dbraw/zinc/79/98/88/1062799888.db2.gz LGAVDKONZXTUFQ-WOJBJXKFSA-N 1 0 485.658 2.935 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1)[NH+](C)C ZINC001287324145 1062801278 /nfs/dbraw/zinc/80/12/78/1062801278.db2.gz YZNSYCIZLSSFDZ-WSTZPKSXSA-N 1 0 478.663 2.652 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328396 1062802204 /nfs/dbraw/zinc/80/22/04/1062802204.db2.gz GYDKAELDEWZDDH-AVRWGWEMSA-N 1 0 485.608 2.875 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+](C)C ZINC001287328109 1062802228 /nfs/dbraw/zinc/80/22/28/1062802228.db2.gz FEMAQQWUVFADJD-SIKLNZKXSA-N 1 0 464.618 2.774 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001287328671 1062803364 /nfs/dbraw/zinc/80/33/64/1062803364.db2.gz JXBWCVFPJKMMQQ-OAQYLSRUSA-N 1 0 468.650 2.940 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295014615 1062804009 /nfs/dbraw/zinc/80/40/09/1062804009.db2.gz DSWHZLMJPBEWSU-ONTIZHBOSA-N 1 0 496.722 2.938 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC(C)C)C1)[NH+](C)C ZINC001287329346 1062805709 /nfs/dbraw/zinc/80/57/09/1062805709.db2.gz CYACCGGREMHMBK-RBUKOAKNSA-N 1 0 476.622 2.612 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CCCO)CC1)[NH+](C)C ZINC001287329566 1062806113 /nfs/dbraw/zinc/80/61/13/1062806113.db2.gz GFSXGSUFGZEETH-LJQANCHMSA-N 1 0 460.623 2.971 20 0 JFADRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)[NH+](C)C ZINC001287329931 1062806641 /nfs/dbraw/zinc/80/66/41/1062806641.db2.gz IICFVIOTULVUPY-FUPPJEDESA-N 1 0 473.710 2.758 20 0 JFADRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)[NH+](C)C ZINC001287329935 1062806773 /nfs/dbraw/zinc/80/67/73/1062806773.db2.gz IICFVIOTULVUPY-QNWVGRARSA-N 1 0 473.710 2.758 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001287330938 1062807684 /nfs/dbraw/zinc/80/76/84/1062807684.db2.gz NGEVEYRNGIACAQ-OKZBNKHCSA-N 1 0 474.572 2.653 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287331416 1062808733 /nfs/dbraw/zinc/80/87/33/1062808733.db2.gz GKZAFWIIYKGMAQ-HXUWFJFHSA-N 1 0 483.082 2.580 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287332740 1062809577 /nfs/dbraw/zinc/80/95/77/1062809577.db2.gz RMTBKWROQKTGRG-AQNXPRMDSA-N 1 0 491.681 2.947 20 0 JFADRO Cc1noc(C)c1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001290937784 1062813252 /nfs/dbraw/zinc/81/32/52/1062813252.db2.gz ZHRHTVGBLLSTQM-UHFFFAOYSA-N 1 0 457.604 2.701 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287335651 1062814001 /nfs/dbraw/zinc/81/40/01/1062814001.db2.gz WESOWHMWPXVPNN-YTFSRNRJSA-N 1 0 489.686 2.604 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1)[NH+](C)C ZINC001287335988 1062814633 /nfs/dbraw/zinc/81/46/33/1062814633.db2.gz YSSKFUMBBQBTOT-KSEOMHKRSA-N 1 0 498.738 2.992 20 0 JFADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1nc2ccccc2c(=O)[nH]1)[NH+](C)C ZINC001287338037 1062815131 /nfs/dbraw/zinc/81/51/31/1062815131.db2.gz AWVTVJAAEPLJOL-SFHVURJKSA-N 1 0 480.617 2.662 20 0 JFADRO CC(C)C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC001287338732 1062815658 /nfs/dbraw/zinc/81/56/58/1062815658.db2.gz MXQALABZUUJEIL-IBGZPJMESA-N 1 0 456.591 2.742 20 0 JFADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1)[NH+](C)C ZINC001287339534 1062817703 /nfs/dbraw/zinc/81/77/03/1062817703.db2.gz WVDRZEICYRAAEE-GLDPYIMESA-N 1 0 490.674 2.630 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001287341322 1062818849 /nfs/dbraw/zinc/81/88/49/1062818849.db2.gz NLKHXBOQDHIPMC-DOIPELPJSA-N 1 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20 0 JFADRO CC(C)Cc1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001287357949 1062827550 /nfs/dbraw/zinc/82/75/50/1062827550.db2.gz XTCLVZOVQYCJFR-UHFFFAOYSA-N 1 0 469.678 2.645 20 0 JFADRO CCC[C@@H]1C[C@H]1n1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001295026079 1062830526 /nfs/dbraw/zinc/83/05/26/1062830526.db2.gz PAUFQGSBELAJBM-OYNPSCLESA-N 1 0 460.648 2.960 20 0 JFADRO CC(C)Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287373077 1062832678 /nfs/dbraw/zinc/83/26/78/1062832678.db2.gz VAXRZLSSWIUKFA-SFTDATJTSA-N 1 0 484.645 2.696 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295040603 1062838399 /nfs/dbraw/zinc/83/83/99/1062838399.db2.gz WLBKNMWHFQZHDX-GOSISDBHSA-N 1 0 477.654 2.690 20 0 JFADRO Cc1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)on1 ZINC001290964982 1062840139 /nfs/dbraw/zinc/84/01/39/1062840139.db2.gz VXDLCRKHLZFHRK-QGZVFWFLSA-N 1 0 472.512 2.608 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@]1(C)CCCO1 ZINC001287397715 1062842330 /nfs/dbraw/zinc/84/23/30/1062842330.db2.gz CFHCWJNCGSPBRJ-RUZDIDTESA-N 1 0 460.667 2.864 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290971577 1062848057 /nfs/dbraw/zinc/84/80/57/1062848057.db2.gz XFFKDAVZZVYAOI-FQEVSTJZSA-N 1 0 495.632 2.520 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(C(C)(C)C)n3C[C@]3([NH+](C)C)CCSC3)CC2)n1 ZINC001290972965 1062850897 /nfs/dbraw/zinc/85/08/97/1062850897.db2.gz LOGCPJCARDYGAV-OAQYLSRUSA-N 1 0 464.709 2.890 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001287413409 1062852043 /nfs/dbraw/zinc/85/20/43/1062852043.db2.gz IKMWZVULCTZYJS-HXUWFJFHSA-N 1 0 476.691 2.857 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3CCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290973314 1062852516 /nfs/dbraw/zinc/85/25/16/1062852516.db2.gz XIHBDWAKDIOKOR-OALUTQOASA-N 1 0 476.695 2.853 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001287413833 1062853014 /nfs/dbraw/zinc/85/30/14/1062853014.db2.gz OVKXDPMJRQAFAV-VSKRKVRLSA-N 1 0 462.683 2.523 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001290975658 1062853565 /nfs/dbraw/zinc/85/35/65/1062853565.db2.gz BIAGGEYKXCNLSE-QKKBWIMNSA-N 1 0 467.014 2.842 20 0 JFADRO CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001295054560 1062857957 /nfs/dbraw/zinc/85/79/57/1062857957.db2.gz BDJGQCQNBDCRQM-OALUTQOASA-N 1 0 488.608 2.725 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001287420245 1062859971 /nfs/dbraw/zinc/85/99/71/1062859971.db2.gz IAPHRCUDHMMFMS-NRFANRHFSA-N 1 0 468.646 2.844 20 0 JFADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001287427437 1062866237 /nfs/dbraw/zinc/86/62/37/1062866237.db2.gz OFBPPEWZMHMVQP-UHFFFAOYSA-N 1 0 454.619 2.705 20 0 JFADRO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287427346 1062866351 /nfs/dbraw/zinc/86/63/51/1062866351.db2.gz MYFGFQXLEKXYPD-AUSIDOKSSA-N 1 0 451.681 2.936 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(F)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001290986820 1062874972 /nfs/dbraw/zinc/87/49/72/1062874972.db2.gz XBENSHOSQVMFEC-GOSISDBHSA-N 1 0 458.582 2.928 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001295062129 1062875695 /nfs/dbraw/zinc/87/56/95/1062875695.db2.gz GSXQRDJULOJGNQ-UHFFFAOYSA-N 1 0 479.000 2.765 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001287442357 1062875954 /nfs/dbraw/zinc/87/59/54/1062875954.db2.gz HRQZMJCXYFXJPC-LEWJYISDSA-N 1 0 462.683 2.824 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001295064809 1062880742 /nfs/dbraw/zinc/88/07/42/1062880742.db2.gz JIOQRASKIABLSD-UHFFFAOYSA-N 1 0 479.398 2.857 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001295066238 1062883546 /nfs/dbraw/zinc/88/35/46/1062883546.db2.gz HKDRQLUITKJKMC-UHFFFAOYSA-N 1 0 468.524 2.514 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)C1 ZINC001290990529 1062883645 /nfs/dbraw/zinc/88/36/45/1062883645.db2.gz UKORDDQEFBFVEV-GUDVDZBRSA-N 1 0 455.607 2.907 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990729 1062884325 /nfs/dbraw/zinc/88/43/25/1062884325.db2.gz VVPGVJOJBMBOAP-PBQROFAYSA-N 1 0 476.666 2.557 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001295067915 1062887355 /nfs/dbraw/zinc/88/73/55/1062887355.db2.gz QRNNDCYLKSOGDR-IBGZPJMESA-N 1 0 465.602 2.654 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001290997836 1062890220 /nfs/dbraw/zinc/89/02/20/1062890220.db2.gz NBQUESZUOFTGPJ-VAMGGRTRSA-N 1 0 453.635 2.687 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001287456640 1062893369 /nfs/dbraw/zinc/89/33/69/1062893369.db2.gz GYICACDNKSCSMF-UHFFFAOYSA-N 1 0 488.702 2.785 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291000256 1062895096 /nfs/dbraw/zinc/89/50/96/1062895096.db2.gz VCRCLODOULEJQW-VXKWHMMOSA-N 1 0 469.678 2.789 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287456825 1062895323 /nfs/dbraw/zinc/89/53/23/1062895323.db2.gz RSIMQGKXYIINGH-QFIPXVFZSA-N 1 0 487.718 2.976 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(C3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291000672 1062896106 /nfs/dbraw/zinc/89/61/06/1062896106.db2.gz WSDLFVHQBVNURA-ROUUACIJSA-N 1 0 466.696 2.678 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001291005772 1062900270 /nfs/dbraw/zinc/90/02/70/1062900270.db2.gz BJCHJMQWTQKDSL-NJDAHSKKSA-N 1 0 484.711 2.602 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295074383 1062900464 /nfs/dbraw/zinc/90/04/64/1062900464.db2.gz JDGVKDBZDNJIJX-QHCPKHFHSA-N 1 0 461.614 2.701 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295076826 1062904513 /nfs/dbraw/zinc/90/45/13/1062904513.db2.gz YZSPSXDEASMRHD-JOCHJYFZSA-N 1 0 461.614 2.701 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291009429 1062907094 /nfs/dbraw/zinc/90/70/94/1062907094.db2.gz FYMXJKSJISQMIF-NJYVYQBISA-N 1 0 496.722 2.796 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287463864 1062907400 /nfs/dbraw/zinc/90/74/00/1062907400.db2.gz FWCUAAWOJFUXAL-PMACEKPBSA-N 1 0 477.698 2.995 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001295078926 1062908475 /nfs/dbraw/zinc/90/84/75/1062908475.db2.gz STWCEDLBIQKHOW-OALUTQOASA-N 1 0 457.596 2.679 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C1 ZINC001291010608 1062909151 /nfs/dbraw/zinc/90/91/51/1062909151.db2.gz XRGWUAANFZNKRC-OALUTQOASA-N 1 0 456.639 2.844 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287465621 1062912917 /nfs/dbraw/zinc/91/29/17/1062912917.db2.gz ZAPIMGHHMLOCLC-FQEVSTJZSA-N 1 0 463.671 2.608 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287465625 1062912992 /nfs/dbraw/zinc/91/29/92/1062912992.db2.gz ZIKHPECHBCAJQG-UHFFFAOYSA-N 1 0 495.716 2.642 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011723 1062913147 /nfs/dbraw/zinc/91/31/47/1062913147.db2.gz OMRQJQHAUGSTKB-HSALFYBXSA-N 1 0 456.639 2.512 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291011864 1062913560 /nfs/dbraw/zinc/91/35/60/1062913560.db2.gz QRJXFODCIIOQPE-WOJBJXKFSA-N 1 0 477.617 2.762 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)C2)C1 ZINC001291012296 1062915461 /nfs/dbraw/zinc/91/54/61/1062915461.db2.gz XFVIQMYHXDSWGH-QZTJIDSGSA-N 1 0 460.573 2.841 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012120 1062915559 /nfs/dbraw/zinc/91/55/59/1062915559.db2.gz UUVHJJCBJZAKSA-WPVAHCMFSA-N 1 0 452.669 2.635 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012552 1062917414 /nfs/dbraw/zinc/91/74/14/1062917414.db2.gz AUGUBYSFOHLFJO-QRVBRYPASA-N 1 0 480.704 2.684 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001295084036 1062917505 /nfs/dbraw/zinc/91/75/05/1062917505.db2.gz NVNYNOAUMZBZPS-GOTSBHOMSA-N 1 0 497.688 2.639 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001291013088 1062918730 /nfs/dbraw/zinc/91/87/30/1062918730.db2.gz IQWJLXVJRFZKRI-OTWHNJEPSA-N 1 0 485.599 2.672 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3cnccn3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287471266 1062919112 /nfs/dbraw/zinc/91/91/12/1062919112.db2.gz KQDRALOPNJQHNR-UHFFFAOYSA-N 1 0 464.618 2.582 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCOCC2)C1 ZINC001291013160 1062919423 /nfs/dbraw/zinc/91/94/23/1062919423.db2.gz JUMCYWTYKUJVLB-PMACEKPBSA-N 1 0 475.659 2.943 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001291014135 1062922348 /nfs/dbraw/zinc/92/23/48/1062922348.db2.gz XWPRFDMQRZXYJH-JZXOWHBKSA-N 1 0 455.529 2.814 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001291014137 1062923173 /nfs/dbraw/zinc/92/31/73/1062923173.db2.gz XWPRFDMQRZXYJH-SOLBZPMBSA-N 1 0 455.529 2.814 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291014390 1062923608 /nfs/dbraw/zinc/92/36/08/1062923608.db2.gz CFHXHPDGIOPNRW-KDURUIRLSA-N 1 0 465.639 2.857 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291014947 1062924230 /nfs/dbraw/zinc/92/42/30/1062924230.db2.gz KTWDBONTRAAKEX-FUPPJEDESA-N 1 0 489.686 2.891 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001287476133 1062927069 /nfs/dbraw/zinc/92/70/69/1062927069.db2.gz FXCSNODDFFYSJS-UHFFFAOYSA-N 1 0 473.710 2.733 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001291015766 1062927171 /nfs/dbraw/zinc/92/71/71/1062927171.db2.gz VUZUKVCPWCGYFZ-QRVBRYPASA-N 1 0 460.648 2.863 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291016019 1062927337 /nfs/dbraw/zinc/92/73/37/1062927337.db2.gz ZMBPHIXJGMTCGY-PMACEKPBSA-N 1 0 474.675 2.645 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](COC(C)C)C2)c1 ZINC001295126618 1062940868 /nfs/dbraw/zinc/94/08/68/1062940868.db2.gz FZVIPEMBCHBXRU-HSZRJFAPSA-N 1 0 484.645 2.644 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](COC(C)C)C2)c1 ZINC001295126619 1062942087 /nfs/dbraw/zinc/94/20/87/1062942087.db2.gz FZVIPEMBCHBXRU-QHCPKHFHSA-N 1 0 484.645 2.644 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001295126950 1062944390 /nfs/dbraw/zinc/94/43/90/1062944390.db2.gz KDLCXOCNEVYXMZ-QFIPXVFZSA-N 1 0 499.685 2.549 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC001295127262 1062945679 /nfs/dbraw/zinc/94/56/79/1062945679.db2.gz NLBIZYQMPIMSCZ-UHFFFAOYSA-N 1 0 468.646 2.977 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001295127274 1062945729 /nfs/dbraw/zinc/94/57/29/1062945729.db2.gz NWJPHKMCKDTMKH-OAQYLSRUSA-N 1 0 458.607 2.816 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCN(C(=O)[C@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001295127512 1062946425 /nfs/dbraw/zinc/94/64/25/1062946425.db2.gz RKBYCRHHUYOOKP-JOCHJYFZSA-N 1 0 468.646 2.903 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001287488488 1062946932 /nfs/dbraw/zinc/94/69/32/1062946932.db2.gz ZGMZBVLZBNPYPE-HXUWFJFHSA-N 1 0 474.675 2.611 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[N@H+](C)CC)c2)CC1 ZINC001295128013 1062948123 /nfs/dbraw/zinc/94/81/23/1062948123.db2.gz YRLPJRVDUKAFGH-UHFFFAOYSA-N 1 0 493.660 2.762 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@H]2C)c1 ZINC001295131704 1062949253 /nfs/dbraw/zinc/94/92/53/1062949253.db2.gz HJTSVUCNTCKKQP-YGOYIFOWSA-N 1 0 484.645 2.559 20 0 JFADRO CCN(c1nnc(C(=O)NC(C)C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC001295133855 1062950987 /nfs/dbraw/zinc/95/09/87/1062950987.db2.gz BBMVNHTVBDRYPJ-HXUWFJFHSA-N 1 0 461.655 2.518 20 0 JFADRO CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001287514627 1062958582 /nfs/dbraw/zinc/95/85/82/1062958582.db2.gz VVELMZLOVIIOIW-UXHICEINSA-N 1 0 488.702 2.860 20 0 JFADRO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CCCCC1)[C@H](C)C1CCC1 ZINC001295144426 1062962458 /nfs/dbraw/zinc/96/24/58/1062962458.db2.gz IYOQARPZOHGKMD-VQTJNVASSA-N 1 0 496.722 2.938 20 0 JFADRO CC(C)CC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287548305 1062980733 /nfs/dbraw/zinc/98/07/33/1062980733.db2.gz NJQYRQLVMJBODX-NVQXNPDNSA-N 1 0 470.662 3.000 20 0 JFADRO CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295157331 1062980763 /nfs/dbraw/zinc/98/07/63/1062980763.db2.gz ZNUCRPNYJAJMSO-WOJBJXKFSA-N 1 0 463.648 2.943 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001291052895 1062985776 /nfs/dbraw/zinc/98/57/76/1062985776.db2.gz ZEKFJZUNFVOBBL-RTWAWAEBSA-N 1 0 487.693 2.671 20 0 JFADRO CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001287572412 1062990627 /nfs/dbraw/zinc/99/06/27/1062990627.db2.gz CJYCEVIGLYNRNS-QFIPXVFZSA-N 1 0 454.619 2.611 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001291058279 1062992930 /nfs/dbraw/zinc/99/29/30/1062992930.db2.gz TXQWYIWBZSNYJF-VSKRKVRLSA-N 1 0 467.662 2.779 20 0 JFADRO CC(C)CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287580153 1062993109 /nfs/dbraw/zinc/99/31/09/1062993109.db2.gz MGRAIXIXTKBNRX-QFIPXVFZSA-N 1 0 455.636 2.840 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295170467 1062994172 /nfs/dbraw/zinc/99/41/72/1062994172.db2.gz KXPJBBDJEUAFNS-UYAOXDASSA-N 1 0 461.632 2.699 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295170464 1062994272 /nfs/dbraw/zinc/99/42/72/1062994272.db2.gz KXPJBBDJEUAFNS-AZUAARDMSA-N 1 0 461.632 2.699 20 0 JFADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1)C[NH+]1CCCCC1 ZINC001291060936 1062996427 /nfs/dbraw/zinc/99/64/27/1062996427.db2.gz TWPGZBRXAKAGJT-XLCOUGHXSA-N 1 0 496.722 2.748 20 0 JFADRO CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175702 1062999668 /nfs/dbraw/zinc/99/96/68/1062999668.db2.gz MZFXJHHRJLVOSZ-OALUTQOASA-N 1 0 477.631 2.664 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC[N@H+](C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295176082 1063000322 /nfs/dbraw/zinc/00/03/22/1063000322.db2.gz NYXDLEQWNKTTOD-LJQANCHMSA-N 1 0 491.658 2.850 20 0 JFADRO CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175704 1063000394 /nfs/dbraw/zinc/00/03/94/1063000394.db2.gz MZFXJHHRJLVOSZ-RTBURBONSA-N 1 0 477.631 2.664 20 0 JFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@]1(C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1 ZINC001287624644 1063007684 /nfs/dbraw/zinc/00/76/84/1063007684.db2.gz IAVJPZSXPLSMGW-FQEVSTJZSA-N 1 0 451.530 2.993 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001287628457 1063009253 /nfs/dbraw/zinc/00/92/53/1063009253.db2.gz ADLPEJYIEUUDFG-OAQYLSRUSA-N 1 0 468.712 2.925 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c(-c3cnccn3)nnc2N2CCC(CCC(N)=O)CC2)([NH+](C)C)C1 ZINC001291065442 1063009952 /nfs/dbraw/zinc/00/99/52/1063009952.db2.gz AYFXXQVTRZPYQA-HOYKHHGWSA-N 1 0 454.623 2.728 20 0 JFADRO C[C@@H]1CCC[C@](Cn2c(-c3cc(Br)cn3C)nnc2N2CCNC(=O)CC2)([NH+](C)C)C1 ZINC001291065597 1063010649 /nfs/dbraw/zinc/01/06/49/1063010649.db2.gz DDSQGJXZVXHPCW-ZHRRBRCNSA-N 1 0 492.466 2.883 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001287630644 1063011321 /nfs/dbraw/zinc/01/13/21/1063011321.db2.gz VCDDHMGWMBWPNA-RTWAWAEBSA-N 1 0 467.680 2.554 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOCC2)CC1 ZINC001287631176 1063011609 /nfs/dbraw/zinc/01/16/09/1063011609.db2.gz YKVGZCDMKCYMTF-UHFFFAOYSA-N 1 0 475.659 2.943 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001287632085 1063012272 /nfs/dbraw/zinc/01/22/72/1063012272.db2.gz RUONLCYEZZHIEY-VQTJNVASSA-N 1 0 453.653 2.511 20 0 JFADRO 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1063072124 /nfs/dbraw/zinc/07/21/24/1063072124.db2.gz RONCQIOUCNYPCM-GOSISDBHSA-N 1 0 490.603 2.823 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2COC(C)(C)OC2)C1 ZINC001291101378 1063072203 /nfs/dbraw/zinc/07/22/03/1063072203.db2.gz SHUDCYQZSZCCKS-IBGZPJMESA-N 1 0 476.666 2.860 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCCCO2)CC1 ZINC001287749112 1063073379 /nfs/dbraw/zinc/07/33/79/1063073379.db2.gz DNCWZPOACVUHCG-NRFANRHFSA-N 1 0 490.674 2.543 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)C1 ZINC001291101784 1063073688 /nfs/dbraw/zinc/07/36/88/1063073688.db2.gz BHQHKNRRKOBSRZ-GOSISDBHSA-N 1 0 473.666 2.898 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102101 1063074675 /nfs/dbraw/zinc/07/46/75/1063074675.db2.gz HOSIDMITZOUPPT-SBHAEUEKSA-N 1 0 496.722 2.652 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001287749898 1063074566 /nfs/dbraw/zinc/07/45/66/1063074566.db2.gz JXRWMKFJCNGFAU-UHFFFAOYSA-N 1 0 461.010 2.659 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102299 1063077012 /nfs/dbraw/zinc/07/70/12/1063077012.db2.gz KSSJIWNBCAMXEB-ZACQAIPSSA-N 1 0 476.638 2.880 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001291102526 1063078231 /nfs/dbraw/zinc/07/82/31/1063078231.db2.gz OQPQDLIMSCKOPH-KZNAEPCWSA-N 1 0 485.599 2.813 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103005 1063078765 /nfs/dbraw/zinc/07/87/65/1063078765.db2.gz WTIDFDHMDDPUMW-WOJBJXKFSA-N 1 0 480.723 2.611 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103355 1063079937 /nfs/dbraw/zinc/07/99/37/1063079937.db2.gz CGKCCXMXRUNHRR-NHCUHLMSSA-N 1 0 495.672 2.560 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103371 1063080935 /nfs/dbraw/zinc/08/09/35/1063080935.db2.gz CQRBNYHWFCGWSE-WOJBJXKFSA-N 1 0 473.691 2.920 20 0 JFADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC001291103949 1063082324 /nfs/dbraw/zinc/08/23/24/1063082324.db2.gz MSHUWHUFBUDUAC-SLFFLAALSA-N 1 0 489.665 2.738 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104178 1063082874 /nfs/dbraw/zinc/08/28/74/1063082874.db2.gz QKDRYKXYXHMALZ-FGTMMUONSA-N 1 0 461.636 2.571 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291104280 1063083756 /nfs/dbraw/zinc/08/37/56/1063083756.db2.gz RUQJUCWYJJUMJL-PMACEKPBSA-N 1 0 469.634 2.569 20 0 JFADRO CCN(C1CCN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001295266659 1063084287 /nfs/dbraw/zinc/08/42/87/1063084287.db2.gz KHWZDYZMPWJRTO-QHCPKHFHSA-N 1 0 474.675 2.982 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C[C@H]1CCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001291138002 1063200043 /nfs/dbraw/zinc/20/00/43/1063200043.db2.gz BFCYKAGXXPVKIH-RBUKOAKNSA-N 1 0 454.619 2.951 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCOC1 ZINC001291138632 1063200846 /nfs/dbraw/zinc/20/08/46/1063200846.db2.gz NKPDXFXRAGBYFW-NJYVYQBISA-N 1 0 492.665 2.934 20 0 JFADRO CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001295324606 1063209208 /nfs/dbraw/zinc/20/92/08/1063209208.db2.gz WCQIZQKBNSLRDI-HXUWFJFHSA-N 1 0 453.568 2.881 20 0 JFADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCC(C)CC1 ZINC001291140580 1063209949 /nfs/dbraw/zinc/20/99/49/1063209949.db2.gz ANCIHRAATQSZJA-BTYIYWSLSA-N 1 0 478.439 2.858 20 0 JFADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291140623 1063210336 /nfs/dbraw/zinc/21/03/36/1063210336.db2.gz BCOFRZBSZONLCX-VAMGGRTRSA-N 1 0 490.674 2.796 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140961 1063212583 /nfs/dbraw/zinc/21/25/83/1063212583.db2.gz HANNVJOSHSELOE-JTHBVZDNSA-N 1 0 484.645 2.821 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140982 1063213038 /nfs/dbraw/zinc/21/30/38/1063213038.db2.gz HKMYUAPPGBJRRJ-IBGZPJMESA-N 1 0 462.639 2.659 20 0 JFADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001291141154 1063213556 /nfs/dbraw/zinc/21/35/56/1063213556.db2.gz JJKTUUAXXJDJSU-NRFANRHFSA-N 1 0 454.619 2.633 20 0 JFADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291141046 1063213651 /nfs/dbraw/zinc/21/36/51/1063213651.db2.gz IDANZFFKLWAUQI-DNVFCKCGSA-N 1 0 484.711 2.650 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccc(O)c2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141528 1063215667 /nfs/dbraw/zinc/21/56/67/1063215667.db2.gz PGXZPMQACPETPU-QRVBRYPASA-N 1 0 478.663 2.912 20 0 JFADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141907 1063217444 /nfs/dbraw/zinc/21/74/44/1063217444.db2.gz VDRMMVUHOJPEAR-YADHBBJMSA-N 1 0 459.683 2.655 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291142144 1063219013 /nfs/dbraw/zinc/21/90/13/1063219013.db2.gz YWDRLEASWLTBPT-MOPGFXCFSA-N 1 0 485.599 2.707 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142284 1063219523 /nfs/dbraw/zinc/21/95/23/1063219523.db2.gz BFIRXWXGUVFVBB-JFIYKMOQSA-N 1 0 455.529 2.955 20 0 JFADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142580 1063220100 /nfs/dbraw/zinc/22/01/00/1063220100.db2.gz HDLPKWYSXVKNBD-QRVBRYPASA-N 1 0 486.583 2.797 20 0 JFADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291143211 1063221608 /nfs/dbraw/zinc/22/16/08/1063221608.db2.gz RZFKCZZNGJNQAJ-QGZVFWFLSA-N 1 0 496.081 2.632 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291143530 1063222144 /nfs/dbraw/zinc/22/21/44/1063222144.db2.gz XXFZMNRBIHEMAN-AABGKKOBSA-N 1 0 489.665 2.795 20 0 JFADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291143823 1063223941 /nfs/dbraw/zinc/22/39/41/1063223941.db2.gz CZOPYORZMQZUMD-QHAWAJNXSA-N 1 0 492.665 2.932 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144039 1063224442 /nfs/dbraw/zinc/22/44/42/1063224442.db2.gz IAIJZJXAOGNLRB-RTBURBONSA-N 1 0 458.573 2.977 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295327574 1063225084 /nfs/dbraw/zinc/22/50/84/1063225084.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 1 0 483.636 2.727 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291144523 1063225633 /nfs/dbraw/zinc/22/56/33/1063225633.db2.gz PMZWFOCDGNLFJP-OPYAIIAOSA-N 1 0 456.591 2.611 20 0 JFADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144622 1063226130 /nfs/dbraw/zinc/22/61/30/1063226130.db2.gz RQJCOJXXAMSRNH-IFMALSPDSA-N 1 0 474.675 2.788 20 0 JFADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144582 1063226258 /nfs/dbraw/zinc/22/62/58/1063226258.db2.gz QWZBWAGLLNEEMH-RJGXRXQPSA-N 1 0 469.678 2.930 20 0 JFADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291144718 1063226687 /nfs/dbraw/zinc/22/66/87/1063226687.db2.gz TWWAKGWXPIFWQK-RBUKOAKNSA-N 1 0 458.582 2.784 20 0 JFADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291144898 1063227414 /nfs/dbraw/zinc/22/74/14/1063227414.db2.gz WXLCATMQCKKNMC-PMACEKPBSA-N 1 0 489.665 2.624 20 0 JFADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144948 1063227975 /nfs/dbraw/zinc/22/79/75/1063227975.db2.gz XTBBBTNKRBITAS-RBBKRZOGSA-N 1 0 475.659 2.643 20 0 JFADRO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1)[NH+]1CCC(C)CC1 ZINC001291145016 1063228108 /nfs/dbraw/zinc/22/81/08/1063228108.db2.gz ZELNWJXEKCFEAL-RTWAWAEBSA-N 1 0 482.695 2.502 20 0 JFADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291145054 1063228193 /nfs/dbraw/zinc/22/81/93/1063228193.db2.gz ZSJZHTFIRIVOSH-KRWDZBQOSA-N 1 0 460.573 2.969 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1(C)C ZINC001291146578 1063231493 /nfs/dbraw/zinc/23/14/93/1063231493.db2.gz HLXSGMSWOUWEID-BXKMTCNYSA-N 1 0 475.037 2.801 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1(C)C ZINC001291146581 1063231686 /nfs/dbraw/zinc/23/16/86/1063231686.db2.gz HLXSGMSWOUWEID-XDHUDOTRSA-N 1 0 475.037 2.801 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001291147728 1063234365 /nfs/dbraw/zinc/23/43/65/1063234365.db2.gz DHTDPHIIRSFBJO-DFEOGRTESA-N 1 0 466.677 2.879 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001291147730 1063234404 /nfs/dbraw/zinc/23/44/04/1063234404.db2.gz DHTDPHIIRSFBJO-SFNKJDCFSA-N 1 0 466.677 2.879 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001291152372 1063242281 /nfs/dbraw/zinc/24/22/81/1063242281.db2.gz MQEDZLQVCSJGHP-RTBURBONSA-N 1 0 461.632 2.696 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291159176 1063244816 /nfs/dbraw/zinc/24/48/16/1063244816.db2.gz JPXUJMMMHMQWFZ-OAQYLSRUSA-N 1 0 498.653 2.502 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295334964 1063246523 /nfs/dbraw/zinc/24/65/23/1063246523.db2.gz KJNQGKBXXVJUDN-QFIPXVFZSA-N 1 0 469.678 2.869 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295334983 1063246566 /nfs/dbraw/zinc/24/65/66/1063246566.db2.gz KZZJGDCZLKETNN-JOCHJYFZSA-N 1 0 455.651 2.695 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001291164361 1063248585 /nfs/dbraw/zinc/24/85/85/1063248585.db2.gz TYKVJXUEIQIQOQ-MIOZMULLSA-N 1 0 476.666 2.942 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001291167427 1063256100 /nfs/dbraw/zinc/25/61/00/1063256100.db2.gz PKJJWBOVQHOQAY-YPAWHYETSA-N 1 0 496.722 2.750 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001291167917 1063257753 /nfs/dbraw/zinc/25/77/53/1063257753.db2.gz WTUCRDWCRGWRIU-NJDAHSKKSA-N 1 0 492.665 2.670 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295336358 1063258034 /nfs/dbraw/zinc/25/80/34/1063258034.db2.gz PIKUGLLMMQQNMQ-OAQYLSRUSA-N 1 0 484.693 2.774 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295337504 1063263181 /nfs/dbraw/zinc/26/31/81/1063263181.db2.gz GZTLHOURJLYQPB-DHIUTWEWSA-N 1 0 489.709 2.632 20 0 JFADRO CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179503 1063268277 /nfs/dbraw/zinc/26/82/77/1063268277.db2.gz FOWAVBZQFJZFMN-VXKWHMMOSA-N 1 0 460.667 2.893 20 0 JFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342266 1063269693 /nfs/dbraw/zinc/26/96/93/1063269693.db2.gz JCNKUQDZGLGNPH-MZNJEOGPSA-N 1 0 457.575 2.879 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291179859 1063269772 /nfs/dbraw/zinc/26/97/72/1063269772.db2.gz OPTXHNQNVVJRHI-NHCUHLMSSA-N 1 0 466.696 2.774 20 0 JFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC001295343441 1063272910 /nfs/dbraw/zinc/27/29/10/1063272910.db2.gz VVVOSQFVEDINTJ-HNNXBMFYSA-N 1 0 450.992 2.941 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001291181151 1063274215 /nfs/dbraw/zinc/27/42/15/1063274215.db2.gz ZCJBFRZLNIDNSQ-LJQANCHMSA-N 1 0 485.599 2.816 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291182523 1063277937 /nfs/dbraw/zinc/27/79/37/1063277937.db2.gz PTLLYUWKLSJXQW-VQTJNVASSA-N 1 0 453.653 2.655 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCC2CCOCC2)CC1 ZINC001291182709 1063278371 /nfs/dbraw/zinc/27/83/71/1063278371.db2.gz VDCLWHJXBYBSEA-OAQYLSRUSA-N 1 0 467.680 2.555 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CC[NH+]1CCC(C)CC1 ZINC001291184039 1063281981 /nfs/dbraw/zinc/28/19/81/1063281981.db2.gz MSJJQOQHHUTKIH-UFYCRDLUSA-N 1 0 452.669 2.779 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[NH+]1CCC(C)CC1 ZINC001291184186 1063282380 /nfs/dbraw/zinc/28/23/80/1063282380.db2.gz QSDBGZZAHJEKLL-HOYKHHGWSA-N 1 0 458.582 2.991 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC001295345530 1063283370 /nfs/dbraw/zinc/28/33/70/1063283370.db2.gz FEKOSKZHXCPOMO-UHFFFAOYSA-N 1 0 498.676 2.813 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cnn(C)c3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001291184862 1063284708 /nfs/dbraw/zinc/28/47/08/1063284708.db2.gz NESAUBWTVXEHKQ-UHFFFAOYSA-N 1 0 472.544 2.764 20 0 JFADRO CC1CC[NH+](CCn2c(COc3ccc(Br)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001291185738 1063286452 /nfs/dbraw/zinc/28/64/52/1063286452.db2.gz OJBIEXBDOMKLOD-QGZVFWFLSA-N 1 0 491.434 2.663 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 ZINC001291186154 1063288487 /nfs/dbraw/zinc/28/84/87/1063288487.db2.gz AOSXLHIEXOCIOQ-IAGOWNOFSA-N 1 0 490.052 2.973 20 0 JFADRO CC1CC[NH+](CCn2c(COc3ccc(Cl)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001291186096 1063288616 /nfs/dbraw/zinc/28/86/16/1063288616.db2.gz ZGIQFZGDKSAWGP-UHFFFAOYSA-N 1 0 491.036 2.537 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291186155 1063288707 /nfs/dbraw/zinc/28/87/07/1063288707.db2.gz AOSXLHIEXOCIOQ-IRXDYDNUSA-N 1 0 490.052 2.973 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001291186326 1063290014 /nfs/dbraw/zinc/29/00/14/1063290014.db2.gz DBKLKCQGSLRSHL-OALUTQOASA-N 1 0 496.722 2.589 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CCC2CCOCC2)C[C@@H](C)O1 ZINC001291186574 1063291138 /nfs/dbraw/zinc/29/11/38/1063291138.db2.gz GSTAMBWGPVTYKK-RTBURBONSA-N 1 0 457.623 2.876 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001295349507 1063292554 /nfs/dbraw/zinc/29/25/54/1063292554.db2.gz SQMLYSXFJOYNHK-NRFANRHFSA-N 1 0 499.660 2.506 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C2CC2)C[C@H](C)O1 ZINC001291186892 1063293406 /nfs/dbraw/zinc/29/34/06/1063293406.db2.gz LGSBEICRMKZJCA-ROUUACIJSA-N 1 0 490.674 2.682 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291187020 1063294084 /nfs/dbraw/zinc/29/40/84/1063294084.db2.gz NWQIUYFUIOGHPH-NHCUHLMSSA-N 1 0 483.661 2.923 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291187410 1063296141 /nfs/dbraw/zinc/29/61/41/1063296141.db2.gz UGLULQXLQVQWSP-PMACEKPBSA-N 1 0 469.634 2.647 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295352028 1063300683 /nfs/dbraw/zinc/30/06/83/1063300683.db2.gz XURUFTNFHLWGPZ-VXKWHMMOSA-N 1 0 475.682 2.876 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnccn2)C[C@@H](C)O1 ZINC001291188186 1063301534 /nfs/dbraw/zinc/30/15/34/1063301534.db2.gz GMJRTQWUMMAOPY-RTBURBONSA-N 1 0 450.591 2.578 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001291188800 1063305188 /nfs/dbraw/zinc/30/51/88/1063305188.db2.gz QWDMXLKYRYPJRV-SJBKTWHCSA-N 1 0 468.646 2.653 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291189266 1063308717 /nfs/dbraw/zinc/30/87/17/1063308717.db2.gz YKGDONAIDOSXEI-SFTDATJTSA-N 1 0 497.688 2.893 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295355558 1063310000 /nfs/dbraw/zinc/31/00/00/1063310000.db2.gz NBCKSCSBPZYGMF-YADHBBJMSA-N 1 0 475.682 2.734 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001295356245 1063311533 /nfs/dbraw/zinc/31/15/33/1063311533.db2.gz ZVVBSUOEDOFCRI-HSZRJFAPSA-N 1 0 467.662 2.987 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001295357539 1063312938 /nfs/dbraw/zinc/31/29/38/1063312938.db2.gz AAHQQRNZTCUYIJ-UXHICEINSA-N 1 0 492.632 2.551 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001291190603 1063315892 /nfs/dbraw/zinc/31/58/92/1063315892.db2.gz ZZTWKYOCVFGEEJ-KBXCAEBGSA-N 1 0 461.408 2.715 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295358952 1063316723 /nfs/dbraw/zinc/31/67/23/1063316723.db2.gz RSEWRSUAYFSWOO-OALUTQOASA-N 1 0 479.670 2.982 20 0 JFADRO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001295359032 1063317748 /nfs/dbraw/zinc/31/77/48/1063317748.db2.gz UCDJMYCLNIPGNM-CTNGQTDRSA-N 1 0 490.674 2.891 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001291192176 1063319101 /nfs/dbraw/zinc/31/91/01/1063319101.db2.gz GAGOBCGEWQDESO-UGKGYDQZSA-N 1 0 470.618 2.565 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1CCCCC[NH+]1CCCCC1 ZINC001291193374 1063322700 /nfs/dbraw/zinc/32/27/00/1063322700.db2.gz AESIQCCEXAFPFL-LJQANCHMSA-N 1 0 487.674 2.593 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001295361325 1063322716 /nfs/dbraw/zinc/32/27/16/1063322716.db2.gz KVWOSSVZUXMQTF-MBOZVWFJSA-N 1 0 499.081 2.850 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001291193926 1063324642 /nfs/dbraw/zinc/32/46/42/1063324642.db2.gz LLOBTAYIBSSYFT-SFHVURJKSA-N 1 0 458.582 2.785 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001291193925 1063324689 /nfs/dbraw/zinc/32/46/89/1063324689.db2.gz LLOBTAYIBSSYFT-GOSISDBHSA-N 1 0 458.582 2.785 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001295363612 1063325025 /nfs/dbraw/zinc/32/50/25/1063325025.db2.gz CWKKWSOYGNDFBM-MJGOQNOKSA-N 1 0 456.591 2.757 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(C)c2)C1 ZINC001295364438 1063326467 /nfs/dbraw/zinc/32/64/67/1063326467.db2.gz ZANGYJOTOUWORY-SVFBPWRDSA-N 1 0 462.664 2.921 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001295365074 1063327109 /nfs/dbraw/zinc/32/71/09/1063327109.db2.gz HXFBNOKTEZOJQK-ICSRJNTNSA-N 1 0 485.633 2.685 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295365305 1063327208 /nfs/dbraw/zinc/32/72/08/1063327208.db2.gz GSOOKBHUKQOEBS-GHTZIAJQSA-N 1 0 456.635 2.924 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295365306 1063327589 /nfs/dbraw/zinc/32/75/89/1063327589.db2.gz GSOOKBHUKQOEBS-NQIIRXRSSA-N 1 0 456.635 2.924 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC[NH+]1CCCC1 ZINC001291194559 1063327938 /nfs/dbraw/zinc/32/79/38/1063327938.db2.gz ZZXPXNTUOGDPET-MOPGFXCFSA-N 1 0 475.638 2.503 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295365629 1063328133 /nfs/dbraw/zinc/32/81/33/1063328133.db2.gz HZRQKTNVWJDPFE-HOYKHHGWSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001295365612 1063328281 /nfs/dbraw/zinc/32/82/81/1063328281.db2.gz LBWJOEUFECWGFE-QGZVFWFLSA-N 1 0 455.998 2.840 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001295366291 1063330300 /nfs/dbraw/zinc/33/03/00/1063330300.db2.gz RWMPOJFRRYRQMR-VQTJNVASSA-N 1 0 467.622 2.904 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001295367046 1063331781 /nfs/dbraw/zinc/33/17/81/1063331781.db2.gz SDEVAJSYYOYZTP-UYAOXDASSA-N 1 0 486.646 2.512 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001291195107 1063332443 /nfs/dbraw/zinc/33/24/43/1063332443.db2.gz KJVQCBBWHZGDCU-GOSISDBHSA-N 1 0 485.599 2.709 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001295368952 1063333546 /nfs/dbraw/zinc/33/35/46/1063333546.db2.gz YTCCZGQBSOHPFX-SFHVURJKSA-N 1 0 454.575 2.717 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295368947 1063333617 /nfs/dbraw/zinc/33/36/17/1063333617.db2.gz YSRWEYMGXKVGNO-PZJWPPBQSA-N 1 0 471.650 2.710 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001291195513 1063334103 /nfs/dbraw/zinc/33/41/03/1063334103.db2.gz SKPNATIJBLWOCU-PXNSSMCTSA-N 1 0 458.582 2.960 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001295369330 1063334056 /nfs/dbraw/zinc/33/40/56/1063334056.db2.gz DLXVYLLAEQDELV-LJQANCHMSA-N 1 0 490.052 2.903 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001295369457 1063334080 /nfs/dbraw/zinc/33/40/80/1063334080.db2.gz GTLKCFGUFNVKPW-JXFKEZNVSA-N 1 0 455.563 2.953 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001295370280 1063335769 /nfs/dbraw/zinc/33/57/69/1063335769.db2.gz MHDJOANBQLYOPM-LJQANCHMSA-N 1 0 463.586 2.738 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1 ZINC001295372264 1063338346 /nfs/dbraw/zinc/33/83/46/1063338346.db2.gz CDZZPNWSAKRSCS-IRXDYDNUSA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001295372622 1063339364 /nfs/dbraw/zinc/33/93/64/1063339364.db2.gz GRGLQXABSHXCRZ-IBGZPJMESA-N 1 0 454.623 2.763 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001295372597 1063339513 /nfs/dbraw/zinc/33/95/13/1063339513.db2.gz GCKWDGMXWZZUNJ-LJQANCHMSA-N 1 0 484.624 2.879 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373070 1063339948 /nfs/dbraw/zinc/33/99/48/1063339948.db2.gz XSLSVDXCJSNKFM-LEWJYISDSA-N 1 0 484.693 2.583 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncc(Cl)n1C ZINC001295373427 1063340971 /nfs/dbraw/zinc/34/09/71/1063340971.db2.gz NWPZCDFLBDRKQX-AWEZNQCLSA-N 1 0 462.986 2.759 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373942 1063342589 /nfs/dbraw/zinc/34/25/89/1063342589.db2.gz UILVLVWWHKADFI-YADHBBJMSA-N 1 0 496.704 2.948 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001295374286 1063343215 /nfs/dbraw/zinc/34/32/15/1063343215.db2.gz WMCZEGBCWZEGGW-SLFFLAALSA-N 1 0 496.660 2.870 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001295376061 1063344256 /nfs/dbraw/zinc/34/42/56/1063344256.db2.gz IROFFEYGGQGLOY-SJORKVTESA-N 1 0 464.552 2.925 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295376085 1063344621 /nfs/dbraw/zinc/34/46/21/1063344621.db2.gz JCBKMSGHAATPEN-AQNXPRMDSA-N 1 0 480.654 2.980 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001295376592 1063345775 /nfs/dbraw/zinc/34/57/75/1063345775.db2.gz OCKGXFFQIMLXAO-HSALFYBXSA-N 1 0 482.633 2.518 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001295378589 1063348520 /nfs/dbraw/zinc/34/85/20/1063348520.db2.gz GXCGQPXSXHXFHE-IRLDBZIGSA-N 1 0 486.636 2.933 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295378555 1063348709 /nfs/dbraw/zinc/34/87/09/1063348709.db2.gz GQPGCKDZEJIXQX-YLJYHZDGSA-N 1 0 458.607 2.872 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001295378706 1063349128 /nfs/dbraw/zinc/34/91/28/1063349128.db2.gz JAKAUCVAZKFIEE-LMNJBCLMSA-N 1 0 479.622 2.628 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@]2(CCOC2)O1 ZINC001291199361 1063352378 /nfs/dbraw/zinc/35/23/78/1063352378.db2.gz LXXGNABXHDZJQF-KBMIEXCESA-N 1 0 457.619 2.949 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380435 1063353018 /nfs/dbraw/zinc/35/30/18/1063353018.db2.gz QDCBJDFKTFVRMA-DYESRHJHSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380441 1063353291 /nfs/dbraw/zinc/35/32/91/1063353291.db2.gz QDCBJDFKTFVRMA-UWJYYQICSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295385577 1063361283 /nfs/dbraw/zinc/36/12/83/1063361283.db2.gz MZXHIVBWJKJYEB-TZIWHRDSSA-N 1 0 463.648 2.828 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001295385812 1063361935 /nfs/dbraw/zinc/36/19/35/1063361935.db2.gz OUSAEDULDKWLGF-DFBJGRDBSA-N 1 0 489.064 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001295385811 1063361955 /nfs/dbraw/zinc/36/19/55/1063361955.db2.gz OUSAEDULDKWLGF-CLOONOSVSA-N 1 0 489.064 2.968 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001291205046 1063362282 /nfs/dbraw/zinc/36/22/82/1063362282.db2.gz DDCSXUBYZSJEAN-MOPGFXCFSA-N 1 0 492.715 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001295386859 1063363329 /nfs/dbraw/zinc/36/33/29/1063363329.db2.gz BNAOQPWEQXEFKU-KRWDZBQOSA-N 1 0 481.567 2.889 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001295386669 1063363440 /nfs/dbraw/zinc/36/34/40/1063363440.db2.gz VRWPNTCOKUZCGI-FQEVSTJZSA-N 1 0 469.634 2.890 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295386734 1063363551 /nfs/dbraw/zinc/36/35/51/1063363551.db2.gz WFAHZVAOMPLONT-NBGIEHNGSA-N 1 0 489.686 2.817 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001295388808 1063366533 /nfs/dbraw/zinc/36/65/33/1063366533.db2.gz KGTKCEYUASJBMQ-UNMCSNQZSA-N 1 0 463.634 2.889 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001295389746 1063367777 /nfs/dbraw/zinc/36/77/77/1063367777.db2.gz GVQXTEDIVWEGIG-KRWDZBQOSA-N 1 0 467.661 2.544 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295390018 1063368127 /nfs/dbraw/zinc/36/81/27/1063368127.db2.gz KDEUJMLXXYSARN-OBKDMQGPSA-N 1 0 480.654 2.629 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390551 1063370090 /nfs/dbraw/zinc/37/00/90/1063370090.db2.gz QLUHWDTYUGIMRF-NLFFAJNJSA-N 1 0 489.640 2.910 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390775 1063371650 /nfs/dbraw/zinc/37/16/50/1063371650.db2.gz AKPQZMUKOTXYGQ-WMZOPIPTSA-N 1 0 484.692 2.648 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001295390865 1063371684 /nfs/dbraw/zinc/37/16/84/1063371684.db2.gz RXIJGVMAYBBVLU-MJGOQNOKSA-N 1 0 477.654 2.782 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391017 1063372169 /nfs/dbraw/zinc/37/21/69/1063372169.db2.gz DALBWNPLEOWUNW-NVXWUHKLSA-N 1 0 472.706 2.586 20 0 JFADRO CC(C)[NH+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1)C(C)C ZINC001291207041 1063373015 /nfs/dbraw/zinc/37/30/15/1063373015.db2.gz FKWALYNZXNIWQB-RTBURBONSA-N 1 0 478.663 2.795 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295391972 1063375726 /nfs/dbraw/zinc/37/57/26/1063375726.db2.gz ZUGRBOBOPSJPEW-PXNSSMCTSA-N 1 0 467.611 2.740 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)c1ccsc1 ZINC001295392387 1063376321 /nfs/dbraw/zinc/37/63/21/1063376321.db2.gz KMZFCZNNYHPKJF-XUVXKRRUSA-N 1 0 487.674 2.808 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@@H](C)C1)C(C)C ZINC001291208181 1063377917 /nfs/dbraw/zinc/37/79/17/1063377917.db2.gz ULMKROOZAIFKKF-KSZLIROESA-N 1 0 460.714 2.727 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 ZINC001295393035 1063378715 /nfs/dbraw/zinc/37/87/15/1063378715.db2.gz OIKURONMMJQHPB-YLJYHZDGSA-N 1 0 487.630 2.522 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001295393341 1063379305 /nfs/dbraw/zinc/37/93/05/1063379305.db2.gz QAZIRUMKFVMWBY-WERVVEIQSA-N 1 0 478.663 2.585 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccsc1 ZINC001295394132 1063380162 /nfs/dbraw/zinc/38/01/62/1063380162.db2.gz XVJHPNXUQIMUSL-ICSRJNTNSA-N 1 0 487.674 2.751 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001295393783 1063380218 /nfs/dbraw/zinc/38/02/18/1063380218.db2.gz VEAIIFBGYDJXLK-HSZRJFAPSA-N 1 0 495.672 2.950 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 ZINC001295394450 1063380841 /nfs/dbraw/zinc/38/08/41/1063380841.db2.gz ZPRMAXBAEVQQPC-FQRUVTKNSA-N 1 0 490.612 2.710 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001295397748 1063384992 /nfs/dbraw/zinc/38/49/92/1063384992.db2.gz QPGWKPKVXAOPOU-HXUWFJFHSA-N 1 0 452.559 2.956 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295399519 1063386127 /nfs/dbraw/zinc/38/61/27/1063386127.db2.gz XKOPUDDLXXYFRY-CEXWTWQISA-N 1 0 471.558 2.883 20 0 JFADRO CCN(CC)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)cn1 ZINC001295406463 1063396378 /nfs/dbraw/zinc/39/63/78/1063396378.db2.gz XHYZINMAJSWGSP-UHFFFAOYSA-N 1 0 455.607 2.666 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291212454 1063398956 /nfs/dbraw/zinc/39/89/56/1063398956.db2.gz OJSRCHVJRYWIMN-SFHVURJKSA-N 1 0 496.077 2.970 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001295407639 1063399019 /nfs/dbraw/zinc/39/90/19/1063399019.db2.gz XGRRHPHVPREBJZ-CEMLEFRQSA-N 1 0 454.619 2.922 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccco1 ZINC001295408108 1063401270 /nfs/dbraw/zinc/40/12/70/1063401270.db2.gz YXZJUMGFVRVXQX-RBBKRZOGSA-N 1 0 484.576 2.635 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001295408329 1063401838 /nfs/dbraw/zinc/40/18/38/1063401838.db2.gz ZGYNZYGDKAGAPS-DHIUTWEWSA-N 1 0 454.619 2.924 20 0 JFADRO C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[N@H+](C)C1CC1 ZINC001291213339 1063404241 /nfs/dbraw/zinc/40/42/41/1063404241.db2.gz DEDLHYGPBZXJSP-MSOLQXFVSA-N 1 0 490.674 2.682 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCC2)CC(=O)N1C ZINC001291213801 1063408423 /nfs/dbraw/zinc/40/84/23/1063408423.db2.gz LEVQCWSBALHKCT-HNNXBMFYSA-N 1 0 479.398 3.000 20 0 JFADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291214439 1063414250 /nfs/dbraw/zinc/41/42/50/1063414250.db2.gz WQXDUKKVQGOWOO-MBOZVWFJSA-N 1 0 464.561 2.654 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291215770 1063429364 /nfs/dbraw/zinc/42/93/64/1063429364.db2.gz VNKJIZCNAQXBSU-OALUTQOASA-N 1 0 461.632 2.694 20 0 JFADRO C[NH+](C)CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 ZINC001295439239 1063444606 /nfs/dbraw/zinc/44/46/06/1063444606.db2.gz KCCVOTILLAUEGQ-UHFFFAOYSA-N 1 0 453.967 2.730 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001295463640 1063463903 /nfs/dbraw/zinc/46/39/03/1063463903.db2.gz NXRINANRFIUBDI-DEOSSOPVSA-N 1 0 497.688 2.628 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001295463347 1063463966 /nfs/dbraw/zinc/46/39/66/1063463966.db2.gz LCSUPPSEHONVDZ-UHFFFAOYSA-N 1 0 499.635 2.702 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001295464003 1063465841 /nfs/dbraw/zinc/46/58/41/1063465841.db2.gz WYGPDTJPZZYWLH-GOSISDBHSA-N 1 0 479.670 2.982 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCn2cncn2)CC1 ZINC001295464282 1063466664 /nfs/dbraw/zinc/46/66/64/1063466664.db2.gz ZYZYDMGWOBGHIO-UHFFFAOYSA-N 1 0 465.606 2.750 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001295465750 1063470920 /nfs/dbraw/zinc/47/09/20/1063470920.db2.gz QSUYFVHXXPHMPT-GOSISDBHSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001295470606 1063475657 /nfs/dbraw/zinc/47/56/57/1063475657.db2.gz FGSGGBNAAQQKIR-UHFFFAOYSA-N 1 0 461.632 2.949 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001295471862 1063475692 /nfs/dbraw/zinc/47/56/92/1063475692.db2.gz NTLRCQOMFGRYDN-GBXCKJPGSA-N 1 0 458.582 2.587 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291229028 1063480440 /nfs/dbraw/zinc/48/04/40/1063480440.db2.gz BHEGZHPTIQJXRG-QRQLOZEOSA-N 1 0 470.540 2.796 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001295474738 1063482324 /nfs/dbraw/zinc/48/23/24/1063482324.db2.gz GKCRLGOWBXCCQP-DEOSSOPVSA-N 1 0 486.709 2.807 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccn(C)n2)CC1 ZINC001295475026 1063483923 /nfs/dbraw/zinc/48/39/23/1063483923.db2.gz MJXSHUMPQCGMOV-UHFFFAOYSA-N 1 0 453.591 2.958 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CC(C)C)c2C)CC1 ZINC001295475027 1063483965 /nfs/dbraw/zinc/48/39/65/1063483965.db2.gz MLIYYVLPVKRGIF-UHFFFAOYSA-N 1 0 470.666 2.920 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC001295479275 1063487562 /nfs/dbraw/zinc/48/75/62/1063487562.db2.gz CLSKQWPQPWWCOD-WOJBJXKFSA-N 1 0 488.608 2.727 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001295479738 1063488287 /nfs/dbraw/zinc/48/82/87/1063488287.db2.gz IKKOXSDCWFSGTM-SFHVURJKSA-N 1 0 493.052 2.833 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001291232354 1063490084 /nfs/dbraw/zinc/49/00/84/1063490084.db2.gz LQYGGBMMYJYPGN-LJQANCHMSA-N 1 0 473.622 2.802 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001295480370 1063490372 /nfs/dbraw/zinc/49/03/72/1063490372.db2.gz LKPCJVYZJKNAPZ-IRXDYDNUSA-N 1 0 492.466 2.693 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2sc(C)nc2C)CC1 ZINC001295480970 1063491544 /nfs/dbraw/zinc/49/15/44/1063491544.db2.gz QVDDQDGEZJYKPU-UHFFFAOYSA-N 1 0 461.680 2.882 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[C@@H]2CCCCO2)CC1 ZINC001295481849 1063494774 /nfs/dbraw/zinc/49/47/74/1063494774.db2.gz BGUBUDZPNXXORB-QFIPXVFZSA-N 1 0 454.619 2.895 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCSC2)CC1 ZINC001295482195 1063496689 /nfs/dbraw/zinc/49/66/89/1063496689.db2.gz FWLJRAAUPUXWGC-KRWDZBQOSA-N 1 0 478.066 2.737 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[C@@H]2OC)CC1 ZINC001295482361 1063500294 /nfs/dbraw/zinc/50/02/94/1063500294.db2.gz LLTBXGJVPPANKE-IRLDBZIGSA-N 1 0 484.645 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@H]2C[C@H]2C)CC1 ZINC001295482355 1063500438 /nfs/dbraw/zinc/50/04/38/1063500438.db2.gz LGJCDQJAQJKRPM-UTKZUKDTSA-N 1 0 456.591 2.534 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCCc2c[nH]nc2C)CC1 ZINC001295482459 1063501730 /nfs/dbraw/zinc/50/17/30/1063501730.db2.gz OWSSMWMVADRKTK-UHFFFAOYSA-N 1 0 482.608 2.739 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(O)cc2)CC1 ZINC001295482652 1063504105 /nfs/dbraw/zinc/50/41/05/1063504105.db2.gz WIJSHMFFUADMHN-UHFFFAOYSA-N 1 0 484.004 2.738 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)CC1 ZINC001295482679 1063504174 /nfs/dbraw/zinc/50/41/74/1063504174.db2.gz XKKAYNFDQPFKMI-HXUWFJFHSA-N 1 0 461.010 2.768 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCc2ccc(C)c(OC)c2)CC1 ZINC001295482658 1063504483 /nfs/dbraw/zinc/50/44/83/1063504483.db2.gz WPWMZFKBTVTITO-UHFFFAOYSA-N 1 0 491.640 2.890 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCOc2cccc(F)c2)CC1 ZINC001295482713 1063505139 /nfs/dbraw/zinc/50/51/39/1063505139.db2.gz YIWDTFMAAZFCEZ-UHFFFAOYSA-N 1 0 481.576 2.549 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291238125 1063505321 /nfs/dbraw/zinc/50/53/21/1063505321.db2.gz KBUDGMAPXCVHGU-SJLPKXTDSA-N 1 0 489.621 2.695 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(Cl)c2)CC1 ZINC001295482746 1063505540 /nfs/dbraw/zinc/50/55/40/1063505540.db2.gz ZCKAUZWKXLSZFZ-UHFFFAOYSA-N 1 0 470.021 2.976 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2csc(C)c2)CC1 ZINC001295483018 1063506368 /nfs/dbraw/zinc/50/63/68/1063506368.db2.gz ARGJICPSKBPBRC-HXUWFJFHSA-N 1 0 460.648 2.928 20 0 JFADRO C[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC(C)(C)O1 ZINC001291238394 1063506695 /nfs/dbraw/zinc/50/66/95/1063506695.db2.gz PSOQDOVEXZTKLA-KRWDZBQOSA-N 1 0 467.618 2.784 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cccc(F)c2)CC1 ZINC001295483171 1063506921 /nfs/dbraw/zinc/50/69/21/1063506921.db2.gz CLMSEVFGPJPDPZ-QFIPXVFZSA-N 1 0 486.636 2.934 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(F)cc2C)CC1 ZINC001295483093 1063507176 /nfs/dbraw/zinc/50/71/76/1063507176.db2.gz BTUKUXOQZJWFMB-JOCHJYFZSA-N 1 0 486.636 2.853 20 0 JFADRO C[C@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC[NH+](C)C)CC(C)(C)C1 ZINC001291238524 1063507179 /nfs/dbraw/zinc/50/71/79/1063507179.db2.gz RVEMXGKKNXYDHL-GOSISDBHSA-N 1 0 477.679 2.689 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295483560 1063507753 /nfs/dbraw/zinc/50/77/53/1063507753.db2.gz GWLVOKFIWKGPMQ-DHIUTWEWSA-N 1 0 483.661 2.607 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)s2)CC1 ZINC001295483875 1063510083 /nfs/dbraw/zinc/51/00/83/1063510083.db2.gz JWOYQYNOERMARQ-FQEVSTJZSA-N 1 0 460.648 2.928 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291241364 1063511917 /nfs/dbraw/zinc/51/19/17/1063511917.db2.gz MYCXPBXERXCZFB-OALUTQOASA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295484511 1063511894 /nfs/dbraw/zinc/51/18/94/1063511894.db2.gz OPQXASUFUFARQC-QNWVGRARSA-N 1 0 476.666 2.571 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC(C)C)CC1 ZINC001295484621 1063511971 /nfs/dbraw/zinc/51/19/71/1063511971.db2.gz PNRYCHWSMIMEJC-UHFFFAOYSA-N 1 0 480.617 2.630 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(F)ccc2SC)CC1 ZINC001295484713 1063512649 /nfs/dbraw/zinc/51/26/49/1063512649.db2.gz QPCAAEWNYWRJDN-SFHVURJKSA-N 1 0 490.649 2.682 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H](C)S1 ZINC001291241802 1063513930 /nfs/dbraw/zinc/51/39/30/1063513930.db2.gz SRVNMLNYNDZYIA-HLIPFELVSA-N 1 0 458.632 2.548 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCSc2ccc(C)cc2)CC1 ZINC001295485432 1063514277 /nfs/dbraw/zinc/51/42/77/1063514277.db2.gz WJPGZFHATDFBRX-UHFFFAOYSA-N 1 0 496.685 2.770 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2sc(C)nc2C)CC1 ZINC001295485461 1063514420 /nfs/dbraw/zinc/51/44/20/1063514420.db2.gz WXGYKMACEBCNNB-FQEVSTJZSA-N 1 0 489.690 2.826 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242043 1063514893 /nfs/dbraw/zinc/51/48/93/1063514893.db2.gz WHVKMHJLFRFJQO-HKUYNNGSSA-N 1 0 475.638 2.549 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](OC)C(C)(C)C)CC1 ZINC001295490687 1063518109 /nfs/dbraw/zinc/51/81/09/1063518109.db2.gz FARDLMIFVJVCEC-HXUWFJFHSA-N 1 0 476.691 2.982 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(C)CCCS2)CC1 ZINC001295490899 1063519521 /nfs/dbraw/zinc/51/95/21/1063519521.db2.gz IMFJGQKRQBPUBV-XMMPIXPASA-N 1 0 471.675 2.540 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2=CCCOC2)CC1 ZINC001295490987 1063519910 /nfs/dbraw/zinc/51/99/10/1063519910.db2.gz LUAQJXZBCSPEJY-FYYLOGMGSA-N 1 0 488.677 2.534 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2sccc2C)CC1 ZINC001295490989 1063520005 /nfs/dbraw/zinc/52/00/05/1063520005.db2.gz LWWQVVVUQYZPTA-UHFFFAOYSA-N 1 0 467.643 2.673 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@](C)(O)C(C)C)CC1 ZINC001295491048 1063521110 /nfs/dbraw/zinc/52/11/10/1063521110.db2.gz NXUDXMHDQBNCSJ-HHHXNRCGSA-N 1 0 495.672 2.679 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(F)c2)CC1 ZINC001295491852 1063524378 /nfs/dbraw/zinc/52/43/78/1063524378.db2.gz XJUSMZRYRFFYMP-UHFFFAOYSA-N 1 0 479.604 2.636 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(C)C)C2)cc1 ZINC001295492284 1063525310 /nfs/dbraw/zinc/52/53/10/1063525310.db2.gz ALMFUVSCVXTOLD-VXKWHMMOSA-N 1 0 454.619 2.981 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295492474 1063525783 /nfs/dbraw/zinc/52/57/83/1063525783.db2.gz BTQYZRSCOOZNRV-RTBURBONSA-N 1 0 464.680 2.652 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](C(=O)OC)C2)c1 ZINC001295492435 1063525825 /nfs/dbraw/zinc/52/58/25/1063525825.db2.gz AXVWMGAWQQBLAA-NRFANRHFSA-N 1 0 491.596 2.815 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC001295493351 1063527368 /nfs/dbraw/zinc/52/73/68/1063527368.db2.gz HWMFIZGYJJSZKX-IBGZPJMESA-N 1 0 462.602 2.682 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC001295493663 1063527801 /nfs/dbraw/zinc/52/78/01/1063527801.db2.gz VCTVQDWBEKKKHO-QHCPKHFHSA-N 1 0 482.654 2.777 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)cc1 ZINC001295494464 1063529417 /nfs/dbraw/zinc/52/94/17/1063529417.db2.gz POJZAGLMEXCRLR-JOCHJYFZSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 ZINC001295495013 1063531008 /nfs/dbraw/zinc/53/10/08/1063531008.db2.gz XXKMSSVXVANYSB-OAQYLSRUSA-N 1 0 462.602 2.588 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCOCC2)c1 ZINC001295499757 1063532821 /nfs/dbraw/zinc/53/28/21/1063532821.db2.gz DYJIXHWSHOBSMN-UHFFFAOYSA-N 1 0 468.627 2.996 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295499776 1063532856 /nfs/dbraw/zinc/53/28/56/1063532856.db2.gz FIQOEFQDBIJNMG-UHFFFAOYSA-N 1 0 495.672 2.709 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001295501141 1063535396 /nfs/dbraw/zinc/53/53/96/1063535396.db2.gz VVFYHSUEOHRWPT-RXFWQSSRSA-N 1 0 484.645 2.691 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001295501368 1063535878 /nfs/dbraw/zinc/53/58/78/1063535878.db2.gz ZCKBPKRZNPLJOW-NRFANRHFSA-N 1 0 479.633 2.824 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001295501369 1063536069 /nfs/dbraw/zinc/53/60/69/1063536069.db2.gz ZCKBPKRZNPLJOW-OAQYLSRUSA-N 1 0 479.633 2.824 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)C1 ZINC001295502306 1063536568 /nfs/dbraw/zinc/53/65/68/1063536568.db2.gz DEIVUTJAHVPPCD-MRXNPFEDSA-N 1 0 478.439 2.790 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3nsnc3c2)C1 ZINC001295503281 1063538350 /nfs/dbraw/zinc/53/83/50/1063538350.db2.gz KUKGLCYSHNKQSH-QGZVFWFLSA-N 1 0 456.620 2.637 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 ZINC001295503284 1063538467 /nfs/dbraw/zinc/53/84/67/1063538467.db2.gz KWUGQLKGFZJIGP-ZEQRLZLVSA-N 1 0 484.645 2.561 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC001295503553 1063538988 /nfs/dbraw/zinc/53/89/88/1063538988.db2.gz MSXSSEGREWUOFB-JOCHJYFZSA-N 1 0 467.662 2.918 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 ZINC001295505837 1063543221 /nfs/dbraw/zinc/54/32/21/1063543221.db2.gz IXVHERFTRGPAOC-WBVHZDCISA-N 1 0 467.412 2.619 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001295509229 1063544253 /nfs/dbraw/zinc/54/42/53/1063544253.db2.gz TUDFLVMRLZLSAY-LVXARBLLSA-N 1 0 486.661 2.542 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001295512896 1063547833 /nfs/dbraw/zinc/54/78/33/1063547833.db2.gz BUNMMDSKQYJHEE-RDPSFJRHSA-N 1 0 453.624 2.800 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001295514566 1063548592 /nfs/dbraw/zinc/54/85/92/1063548592.db2.gz AOQFCGGTKIRKNG-OALUTQOASA-N 1 0 450.628 2.865 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001295515493 1063549050 /nfs/dbraw/zinc/54/90/50/1063549050.db2.gz BBPLFOQVBJSXDN-JOCHJYFZSA-N 1 0 453.635 2.691 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001295516156 1063550363 /nfs/dbraw/zinc/55/03/63/1063550363.db2.gz FNXCVMWONPLZRV-FGZHOGPDSA-N 1 0 453.635 2.691 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 ZINC001295516050 1063550403 /nfs/dbraw/zinc/55/04/03/1063550403.db2.gz FLGNOMGBCUWWGJ-ZWKOTPCHSA-N 1 0 467.586 2.675 20 0 JFADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258752 1063551520 /nfs/dbraw/zinc/55/15/20/1063551520.db2.gz HEBURDGTOCLBAF-FQEVSTJZSA-N 1 0 462.683 2.667 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)C1 ZINC001295516203 1063552089 /nfs/dbraw/zinc/55/20/89/1063552089.db2.gz GKUSIFBEGVHAMM-IRXDYDNUSA-N 1 0 466.428 2.609 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001295516411 1063552563 /nfs/dbraw/zinc/55/25/63/1063552563.db2.gz ICMJQMIVNJFEQT-PMACEKPBSA-N 1 0 463.623 2.611 20 0 JFADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC2(CCOCC2)O1 ZINC001291259450 1063552748 /nfs/dbraw/zinc/55/27/48/1063552748.db2.gz SJXPUQBNBSTUNM-LEWJYISDSA-N 1 0 463.667 2.878 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001295517726 1063554365 /nfs/dbraw/zinc/55/43/65/1063554365.db2.gz MTVLXADUAHIZHD-JOCHJYFZSA-N 1 0 482.654 2.884 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001295517653 1063554493 /nfs/dbraw/zinc/55/44/93/1063554493.db2.gz PLSFXOQXNWKDOI-ZWKOTPCHSA-N 1 0 477.654 2.701 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001295517649 1063554509 /nfs/dbraw/zinc/55/45/09/1063554509.db2.gz PLSFXOQXNWKDOI-ROUUACIJSA-N 1 0 477.654 2.701 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295517936 1063554923 /nfs/dbraw/zinc/55/49/23/1063554923.db2.gz NJKVGDQXYIMPBA-QYZOEREBSA-N 1 0 450.628 2.863 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291261331 1063556665 /nfs/dbraw/zinc/55/66/65/1063556665.db2.gz ZDEVFYWIZUSMFJ-KDOFPFPSSA-N 1 0 477.478 2.881 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291261380 1063556880 /nfs/dbraw/zinc/55/68/80/1063556880.db2.gz AKGAYVWEQSWQLU-NFBKMPQASA-N 1 0 458.626 2.895 20 0 JFADRO CCN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC001295520832 1063557544 /nfs/dbraw/zinc/55/75/44/1063557544.db2.gz VWFKYPWTLGCTFU-RTBURBONSA-N 1 0 477.654 2.654 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001295523196 1063559961 /nfs/dbraw/zinc/55/99/61/1063559961.db2.gz QKZVTCCVUVVYKK-RTBURBONSA-N 1 0 453.653 2.655 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cncn2)C1 ZINC001295523562 1063560527 /nfs/dbraw/zinc/56/05/27/1063560527.db2.gz WHFMAVVNSQEJOG-AQNXPRMDSA-N 1 0 487.653 2.509 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001295524111 1063561748 /nfs/dbraw/zinc/56/17/48/1063561748.db2.gz FGZOTHJJXJIQHI-NRFANRHFSA-N 1 0 467.618 2.690 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@H](OC)C1 ZINC001295524430 1063562136 /nfs/dbraw/zinc/56/21/36/1063562136.db2.gz KQRRZPZZPPLCOL-SFHVURJKSA-N 1 0 463.652 2.504 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 ZINC001295524344 1063562182 /nfs/dbraw/zinc/56/21/82/1063562182.db2.gz JJQDZUDYNGUNBN-FQEVSTJZSA-N 1 0 455.607 2.910 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001295524888 1063563062 /nfs/dbraw/zinc/56/30/62/1063563062.db2.gz QADSOQUFVSXTAI-VQTJNVASSA-N 1 0 470.574 2.993 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001295524968 1063563087 /nfs/dbraw/zinc/56/30/87/1063563087.db2.gz SDLDUIOHJBKXBC-UHFFFAOYSA-N 1 0 474.009 2.851 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295525108 1063563134 /nfs/dbraw/zinc/56/31/34/1063563134.db2.gz SXKWUKSIXPODNT-NRFANRHFSA-N 1 0 481.439 2.774 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H]1CCOC1 ZINC001295525397 1063563537 /nfs/dbraw/zinc/56/35/37/1063563537.db2.gz VVDQKLVRFLGPMM-SFHVURJKSA-N 1 0 463.652 2.504 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001295527996 1063565847 /nfs/dbraw/zinc/56/58/47/1063565847.db2.gz NGNJSZOHNPBEDI-IBGZPJMESA-N 1 0 492.690 2.931 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291265356 1063566303 /nfs/dbraw/zinc/56/63/03/1063566303.db2.gz SFYINNFEYIIZTG-FQEVSTJZSA-N 1 0 474.675 2.789 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001295532572 1063569158 /nfs/dbraw/zinc/56/91/58/1063569158.db2.gz IGSXXUFQTNWGLJ-UHFFFAOYSA-N 1 0 497.669 2.973 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001295532644 1063569241 /nfs/dbraw/zinc/56/92/41/1063569241.db2.gz KMSPNLCBXHJNLG-UHFFFAOYSA-N 1 0 485.658 2.906 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 ZINC001295533065 1063569683 /nfs/dbraw/zinc/56/96/83/1063569683.db2.gz OUVYNTQSRJVDCY-UHFFFAOYSA-N 1 0 470.647 2.825 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001295538429 1063573510 /nfs/dbraw/zinc/57/35/10/1063573510.db2.gz FNSSJKGJEQKPSR-RUZDIDTESA-N 1 0 454.619 2.922 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295538424 1063573618 /nfs/dbraw/zinc/57/36/18/1063573618.db2.gz FJOICJHDXKSGSY-OAQYLSRUSA-N 1 0 451.662 2.677 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001295540514 1063575211 /nfs/dbraw/zinc/57/52/11/1063575211.db2.gz YNSXCUKERCITBP-IBGZPJMESA-N 1 0 453.591 2.638 20 0 JFADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 ZINC001295542656 1063577034 /nfs/dbraw/zinc/57/70/34/1063577034.db2.gz TZECEKQYFIAAGW-UHFFFAOYSA-N 1 0 468.654 2.602 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001295544222 1063579347 /nfs/dbraw/zinc/57/93/47/1063579347.db2.gz NGQFDADIHNCDHF-HSZRJFAPSA-N 1 0 461.010 2.959 20 0 JFADRO CC[NH+](CC)CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 ZINC001295544542 1063579446 /nfs/dbraw/zinc/57/94/46/1063579446.db2.gz MLBMKAMRXAQCLL-UHFFFAOYSA-N 1 0 480.654 2.588 20 0 JFADRO C[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOCC(F)F)CCCO1 ZINC001291274529 1063579877 /nfs/dbraw/zinc/57/98/77/1063579877.db2.gz BVFQQVDBEYVSHM-HXUWFJFHSA-N 1 0 478.588 2.540 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCSC[C@H]1C ZINC001295545121 1063580339 /nfs/dbraw/zinc/58/03/39/1063580339.db2.gz PYOJYMTWICSCHR-QGZVFWFLSA-N 1 0 471.631 2.894 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001295545931 1063581237 /nfs/dbraw/zinc/58/12/37/1063581237.db2.gz WJFLKPQDDIDPNH-SFHVURJKSA-N 1 0 454.575 2.717 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 ZINC001295545983 1063581316 /nfs/dbraw/zinc/58/13/16/1063581316.db2.gz XCQPJLQYSSRSCP-UHFFFAOYSA-N 1 0 481.645 2.854 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291274865 1063581335 /nfs/dbraw/zinc/58/13/35/1063581335.db2.gz JDJNMUYBSKRWSJ-HXUWFJFHSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001295550130 1063582789 /nfs/dbraw/zinc/58/27/89/1063582789.db2.gz DOZCTCSAKVTAIT-SBHAEUEKSA-N 1 0 467.618 2.592 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001295550423 1063583272 /nfs/dbraw/zinc/58/32/72/1063583272.db2.gz GDZAHVGFCOCATH-UWVAXJGDSA-N 1 0 464.636 2.666 20 0 JFADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC(=O)N1C ZINC001291275532 1063583388 /nfs/dbraw/zinc/58/33/88/1063583388.db2.gz UATXCPUEPYSTES-FQEVSTJZSA-N 1 0 454.619 2.831 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001291276128 1063584864 /nfs/dbraw/zinc/58/48/64/1063584864.db2.gz GTPGCTQRTKDTBM-QZTJIDSGSA-N 1 0 472.556 2.823 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291276348 1063585757 /nfs/dbraw/zinc/58/57/57/1063585757.db2.gz KNQMMTZOKONLFA-HYVNUMGLSA-N 1 0 486.564 2.921 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001295554207 1063587940 /nfs/dbraw/zinc/58/79/40/1063587940.db2.gz UHKBLAZBGZIHBS-RLLQIKCJSA-N 1 0 470.618 2.940 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001295554208 1063588291 /nfs/dbraw/zinc/58/82/91/1063588291.db2.gz UHKBLAZBGZIHBS-YZGWKJHDSA-N 1 0 470.618 2.940 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001295554338 1063588322 /nfs/dbraw/zinc/58/83/22/1063588322.db2.gz VUZXXWGJDNUHGK-OAHLLOKOSA-N 1 0 499.479 2.794 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001295559123 1063591321 /nfs/dbraw/zinc/59/13/21/1063591321.db2.gz CRYMCUNQWRTOCG-LJQANCHMSA-N 1 0 463.586 2.738 20 0 JFADRO CCn1nc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001295559923 1063592994 /nfs/dbraw/zinc/59/29/94/1063592994.db2.gz NSVFKZJPZJWKTA-QZTJIDSGSA-N 1 0 453.591 2.630 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001295560076 1063593002 /nfs/dbraw/zinc/59/30/02/1063593002.db2.gz PKMUDELYJZSAAU-KURKYZTESA-N 1 0 458.611 2.850 20 0 JFADRO CCn1nc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001295559922 1063593038 /nfs/dbraw/zinc/59/30/38/1063593038.db2.gz NSVFKZJPZJWKTA-MSOLQXFVSA-N 1 0 453.591 2.630 20 0 JFADRO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291277818 1063593170 /nfs/dbraw/zinc/59/31/70/1063593170.db2.gz KMXXDDSCFIPSSD-DOTOQJQBSA-N 1 0 499.607 2.683 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCn1cccn1 ZINC001295562767 1063595971 /nfs/dbraw/zinc/59/59/71/1063595971.db2.gz FGWPZKKAVNUTIH-WOJBJXKFSA-N 1 0 490.653 2.650 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 ZINC001295562975 1063596438 /nfs/dbraw/zinc/59/64/38/1063596438.db2.gz JGGRIDPQRISHNB-QZTJIDSGSA-N 1 0 466.627 2.542 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001295567030 1063601127 /nfs/dbraw/zinc/60/11/27/1063601127.db2.gz FBMJPWPOKSVVJA-OAQYLSRUSA-N 1 0 468.650 2.722 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC001295567935 1063602466 /nfs/dbraw/zinc/60/24/66/1063602466.db2.gz LNVHLQDNAPQVED-GGAORHGYSA-N 1 0 466.634 2.713 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H](C)O1 ZINC001291280600 1063604237 /nfs/dbraw/zinc/60/42/37/1063604237.db2.gz JGPMJNOFGINWEB-QZTJIDSGSA-N 1 0 464.010 2.971 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295569405 1063604217 /nfs/dbraw/zinc/60/42/17/1063604217.db2.gz CQMWWHMXNXADAX-NTKDMRAZSA-N 1 0 459.591 2.592 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001295569849 1063604958 /nfs/dbraw/zinc/60/49/58/1063604958.db2.gz HWSXQRJTFDKGRT-WOJBJXKFSA-N 1 0 456.591 2.845 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295572389 1063610117 /nfs/dbraw/zinc/61/01/17/1063610117.db2.gz JQNSJDGVVRFOFL-NCXUSEDFSA-N 1 0 455.669 2.550 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001295572669 1063610128 /nfs/dbraw/zinc/61/01/28/1063610128.db2.gz MGBPVOLXFRFQES-HMXCVIKNSA-N 1 0 498.738 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001295573179 1063611452 /nfs/dbraw/zinc/61/14/52/1063611452.db2.gz UYVDZDFNVNVIJM-HXUWFJFHSA-N 1 0 488.702 2.996 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCC(C)CC1 ZINC001295574631 1063613179 /nfs/dbraw/zinc/61/31/79/1063613179.db2.gz HJZGDFXVYDCFNA-KRWDZBQOSA-N 1 0 484.617 2.925 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001295578288 1063617005 /nfs/dbraw/zinc/61/70/05/1063617005.db2.gz HBJCBRRTUSVPOE-FQEVSTJZSA-N 1 0 481.645 2.629 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cccn2C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295578520 1063618230 /nfs/dbraw/zinc/61/82/30/1063618230.db2.gz KPPGHWQXDVEIJG-NRFANRHFSA-N 1 0 493.656 2.980 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC(=O)N1C ZINC001291284003 1063622197 /nfs/dbraw/zinc/62/21/97/1063622197.db2.gz QYRKFLMYBPFXML-XKGFGPFHSA-N 1 0 458.607 2.760 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001295583500 1063627202 /nfs/dbraw/zinc/62/72/02/1063627202.db2.gz HVJSPOIWSWTRON-DENIHFKCSA-N 1 0 481.645 2.689 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001291287212 1063637889 /nfs/dbraw/zinc/63/78/89/1063637889.db2.gz XECUEWQFVVNLTQ-QGFMHUBQSA-N 1 0 450.628 2.719 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001291287211 1063637908 /nfs/dbraw/zinc/63/79/08/1063637908.db2.gz XECUEWQFVVNLTQ-MKXGPGLRSA-N 1 0 450.628 2.719 20 0 JFADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001295594745 1063639456 /nfs/dbraw/zinc/63/94/56/1063639456.db2.gz LNKDFTZRDUOLJF-UHFFFAOYSA-N 1 0 457.383 2.700 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)C[C@@H](C)O1 ZINC001291287567 1063640601 /nfs/dbraw/zinc/64/06/01/1063640601.db2.gz FAQWMHMTKOZYQJ-DBXWQHBBSA-N 1 0 491.036 2.586 20 0 JFADRO CC(C)c1nc([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CCO2)no1 ZINC001291287632 1063641196 /nfs/dbraw/zinc/64/11/96/1063641196.db2.gz FVVKEPVOHVKJHV-OTWHNJEPSA-N 1 0 461.611 2.985 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCCO1 ZINC001291287713 1063642395 /nfs/dbraw/zinc/64/23/95/1063642395.db2.gz GOUIJUYPANJXHD-WOJBJXKFSA-N 1 0 485.633 2.678 20 0 JFADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288059 1063645909 /nfs/dbraw/zinc/64/59/09/1063645909.db2.gz MRVALXSLHOPZQB-AABGKKOBSA-N 1 0 488.608 2.760 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288722 1063651404 /nfs/dbraw/zinc/65/14/04/1063651404.db2.gz XTZIBOUMBURIJV-HKUYNNGSSA-N 1 0 480.535 2.561 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288725 1063651486 /nfs/dbraw/zinc/65/14/86/1063651486.db2.gz XTZIBOUMBURIJV-PKOBYXMFSA-N 1 0 480.535 2.561 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCCCC1 ZINC001295605840 1063652948 /nfs/dbraw/zinc/65/29/48/1063652948.db2.gz VIHUZEIUHBKSBZ-HXUWFJFHSA-N 1 0 456.591 2.759 20 0 JFADRO C[C@H](CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291289013 1063654000 /nfs/dbraw/zinc/65/40/00/1063654000.db2.gz CFOAQIVOROKYEK-KURKYZTESA-N 1 0 458.636 2.874 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001291289350 1063655704 /nfs/dbraw/zinc/65/57/04/1063655704.db2.gz IJYOBQFKXUFYQN-KRWDZBQOSA-N 1 0 470.039 2.580 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 ZINC001291289400 1063655716 /nfs/dbraw/zinc/65/57/16/1063655716.db2.gz JAOJLLBKRFGLQF-MSOLQXFVSA-N 1 0 476.025 2.586 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001291289443 1063656286 /nfs/dbraw/zinc/65/62/86/1063656286.db2.gz JTNKZMKPTCHIFU-CALCHBBNSA-N 1 0 491.434 2.533 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291289541 1063657355 /nfs/dbraw/zinc/65/73/55/1063657355.db2.gz MBUHOKLVPIHYFU-KDURUIRLSA-N 1 0 454.619 2.678 20 0 JFADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295608678 1063658723 /nfs/dbraw/zinc/65/87/23/1063658723.db2.gz XYQOQLIALWIUBP-IEBWSBKVSA-N 1 0 492.646 2.518 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001291289746 1063658916 /nfs/dbraw/zinc/65/89/16/1063658916.db2.gz PGYUXFJKLZPPEA-QZTJIDSGSA-N 1 0 460.598 2.934 20 0 JFADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)[NH+](C)C ZINC001295609409 1063659219 /nfs/dbraw/zinc/65/92/19/1063659219.db2.gz MOZCIKWJABEJGI-INIZCTEOSA-N 1 0 470.599 2.975 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC001291289777 1063659433 /nfs/dbraw/zinc/65/94/33/1063659433.db2.gz PTEMKRWYOASNAW-LMMKCTJWSA-N 1 0 461.010 2.800 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291289996 1063661392 /nfs/dbraw/zinc/66/13/92/1063661392.db2.gz STSHGSIUGVDHOK-PMACEKPBSA-N 1 0 454.619 2.926 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H](C)O1 ZINC001291290408 1063663886 /nfs/dbraw/zinc/66/38/86/1063663886.db2.gz ZSNFSDAIXBLJQB-ODAXIHTASA-N 1 0 470.662 2.990 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2F)C[C@@H](C)O1 ZINC001291290744 1063664995 /nfs/dbraw/zinc/66/49/95/1063664995.db2.gz FIWLSMPFFCWRDS-RTBURBONSA-N 1 0 455.582 2.996 20 0 JFADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291109 1063666544 /nfs/dbraw/zinc/66/65/44/1063666544.db2.gz KFMUSMGHLILRCA-GJPOJAMWSA-N 1 0 484.645 2.892 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291291315 1063669182 /nfs/dbraw/zinc/66/91/82/1063669182.db2.gz NAYGUTPBMAICNW-YVSFHVDLSA-N 1 0 458.529 2.507 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291291841 1063671903 /nfs/dbraw/zinc/67/19/03/1063671903.db2.gz VLKFFRMBRPTJBJ-KSZLIROESA-N 1 0 482.580 2.512 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291291840 1063671970 /nfs/dbraw/zinc/67/19/70/1063671970.db2.gz VLKFFRMBRPTJBJ-FGTMMUONSA-N 1 0 482.580 2.512 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC001291291885 1063672531 /nfs/dbraw/zinc/67/25/31/1063672531.db2.gz VUTAKAKEZLLNRG-CLCXKQKWSA-N 1 0 480.535 2.782 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C[C@@H](C)O1 ZINC001291291887 1063672571 /nfs/dbraw/zinc/67/25/71/1063672571.db2.gz VUTAKAKEZLLNRG-SPYBWZPUSA-N 1 0 480.535 2.782 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291292636 1063677678 /nfs/dbraw/zinc/67/76/78/1063677678.db2.gz HFPCWQIFEMHSKV-NHCUHLMSSA-N 1 0 483.661 2.504 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291292768 1063678415 /nfs/dbraw/zinc/67/84/15/1063678415.db2.gz JHDLMIULCRJQJC-QRVBRYPASA-N 1 0 491.036 2.677 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC001291292914 1063680011 /nfs/dbraw/zinc/68/00/11/1063680011.db2.gz LTQHUYMOONODAE-KURKYZTESA-N 1 0 478.688 2.711 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccco2)C[C@H](C)O1 ZINC001291292979 1063680165 /nfs/dbraw/zinc/68/01/65/1063680165.db2.gz MOWZLNSDLNDNSI-HDICACEKSA-N 1 0 472.615 2.998 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291292952 1063680232 /nfs/dbraw/zinc/68/02/32/1063680232.db2.gz MGOBGFUASHGXIT-OAQYLSRUSA-N 1 0 499.660 2.822 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291293183 1063682638 /nfs/dbraw/zinc/68/26/38/1063682638.db2.gz QIWRICFXRSTGQB-ROUUACIJSA-N 1 0 491.036 2.712 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCO1 ZINC001291293207 1063683835 /nfs/dbraw/zinc/68/38/35/1063683835.db2.gz QRMWTOZOGYPBKC-IEBWSBKVSA-N 1 0 468.524 2.532 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CN3CCCC3=O)nnc2N(C)CCc2cccs2)C[C@@H](C)O1 ZINC001291293482 1063685382 /nfs/dbraw/zinc/68/53/82/1063685382.db2.gz VQFGHQJOCYREFN-RTBURBONSA-N 1 0 460.648 2.640 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293924 1063686677 /nfs/dbraw/zinc/68/66/77/1063686677.db2.gz BUZMCCMWNCMSKZ-FUHWJXTLSA-N 1 0 483.585 2.693 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293926 1063686812 /nfs/dbraw/zinc/68/68/12/1063686812.db2.gz BUZMCCMWNCMSKZ-WMZOPIPTSA-N 1 0 483.585 2.693 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)CCCO1 ZINC001291294215 1063688582 /nfs/dbraw/zinc/68/85/82/1063688582.db2.gz GOUZUTWWCFZMRN-PCCBWWKXSA-N 1 0 492.665 2.776 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294511 1063689683 /nfs/dbraw/zinc/68/96/83/1063689683.db2.gz KUCQJHXZEQKJAV-NEPJUHHUSA-N 1 0 489.390 2.823 20 0 JFADRO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001295647318 1063690545 /nfs/dbraw/zinc/69/05/45/1063690545.db2.gz MHEWSIRBGPEDNV-UHFFFAOYSA-N 1 0 460.648 2.724 20 0 JFADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001291295379 1063694847 /nfs/dbraw/zinc/69/48/47/1063694847.db2.gz YHVBLRKNQOSPBO-SQNIBIBYSA-N 1 0 484.605 2.512 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295521 1063696395 /nfs/dbraw/zinc/69/63/95/1063696395.db2.gz ACPJNHIPJZMYRN-FXAWDEMLSA-N 1 0 463.623 2.894 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(F)(F)F ZINC001295662396 1063704767 /nfs/dbraw/zinc/70/47/67/1063704767.db2.gz DJLKXBQOHNPRPP-UHFFFAOYSA-N 1 0 476.551 2.965 20 0 JFADRO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291301422 1063709022 /nfs/dbraw/zinc/70/90/22/1063709022.db2.gz CESZZWWOKHFANB-SFHVURJKSA-N 1 0 461.632 2.696 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295668931 1063709095 /nfs/dbraw/zinc/70/90/95/1063709095.db2.gz QVLLHLKEDZAQBX-AREMUKBSSA-N 1 0 481.645 2.981 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001291301492 1063709569 /nfs/dbraw/zinc/70/95/69/1063709569.db2.gz DMKXYJUOWQLHCP-YLJYHZDGSA-N 1 0 461.632 2.694 20 0 JFADRO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001295670890 1063711696 /nfs/dbraw/zinc/71/16/96/1063711696.db2.gz YESFKUGZZPYBIF-MSOLQXFVSA-N 1 0 473.647 2.880 20 0 JFADRO CCN(Cc1c[nH]c2ccccc12)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001295670898 1063712189 /nfs/dbraw/zinc/71/21/89/1063712189.db2.gz YESFKUGZZPYBIF-ZWKOTPCHSA-N 1 0 473.647 2.880 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001295715872 1063733407 /nfs/dbraw/zinc/73/34/07/1063733407.db2.gz YMOQRQZUESCBON-FYYLOGMGSA-N 1 0 483.661 2.632 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001295715875 1063733949 /nfs/dbraw/zinc/73/39/49/1063733949.db2.gz 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1064076807 /nfs/dbraw/zinc/07/68/07/1064076807.db2.gz ZVBQFGKTCVSMJK-VXKWHMMOSA-N 1 0 478.645 2.765 20 0 JFADRO CCN(CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC001296015308 1064077627 /nfs/dbraw/zinc/07/76/27/1064077627.db2.gz RUMUVZAVVYUVCX-DOIPELPJSA-N 1 0 498.738 2.787 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](F)COC)C[C@H]1C ZINC001296016812 1064078031 /nfs/dbraw/zinc/07/80/31/1064078031.db2.gz VPTYATMEIUUTOH-LFDJNIOPSA-N 1 0 468.618 2.952 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc(C(C)C)n2C[C@H]2CCC[N@@H+]2CCCO)Oc2ccccc21 ZINC001296016916 1064078309 /nfs/dbraw/zinc/07/83/09/1064078309.db2.gz VWJZHKLLRVUOCO-RTWAWAEBSA-N 1 0 456.635 2.972 20 0 JFADRO CCN1C[C@@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C(C)C)Oc2ccccc21 ZINC001296017487 1064079596 /nfs/dbraw/zinc/07/95/96/1064079596.db2.gz GJRKPHRXTLDTBT-WOJBJXKFSA-N 1 0 469.634 2.683 20 0 JFADRO CCN1C[C@@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)C(C)C)Oc2ccccc21 ZINC001296017483 1064079646 /nfs/dbraw/zinc/07/96/46/1064079646.db2.gz GJRKPHRXTLDTBT-UXHICEINSA-N 1 0 469.634 2.683 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291538982 1064080283 /nfs/dbraw/zinc/08/02/83/1064080283.db2.gz XYUFJMYEXAYASL-UFYCRDLUSA-N 1 0 454.685 2.678 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296018439 1064080480 /nfs/dbraw/zinc/08/04/80/1064080480.db2.gz PPVRZTSTAMSSEI-UHFFFAOYSA-N 1 0 465.606 2.726 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)Oc2ccccc21 ZINC001296019419 1064081351 /nfs/dbraw/zinc/08/13/51/1064081351.db2.gz XSKWJHOOWQCSQL-UQBPGWFLSA-N 1 0 456.635 2.657 20 0 JFADRO CCN1C[C@@H](CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[NH+](C)C)Oc2ccccc21 ZINC001296019464 1064081421 /nfs/dbraw/zinc/08/14/21/1064081421.db2.gz YSGLGFULRVSASB-AWWSKVOZSA-N 1 0 472.634 2.676 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001291539857 1064081912 /nfs/dbraw/zinc/08/19/12/1064081912.db2.gz JYKXPWQLPIIPIU-ACRUOGEOSA-N 1 0 466.696 2.916 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3Cl)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001296024113 1064084041 /nfs/dbraw/zinc/08/40/41/1064084041.db2.gz SBHLMXANKPDSQR-UHFFFAOYSA-N 1 0 452.024 2.955 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001296024729 1064084727 /nfs/dbraw/zinc/08/47/27/1064084727.db2.gz HJCFIAALVSXMTI-VXKWHMMOSA-N 1 0 496.722 2.605 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001296024730 1064084779 /nfs/dbraw/zinc/08/47/79/1064084779.db2.gz HJCFIAALVSXMTI-YADHBBJMSA-N 1 0 496.722 2.605 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296025478 1064085264 /nfs/dbraw/zinc/08/52/64/1064085264.db2.gz ROEUQIGZZLTUJX-JENIJYKNSA-N 1 0 455.694 2.632 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccncc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296026565 1064086294 /nfs/dbraw/zinc/08/62/94/1064086294.db2.gz CQAPIWVHYZXOBY-HXUWFJFHSA-N 1 0 493.578 2.891 20 0 JFADRO CC[NH+]1CCC(CCn2c(CCc3ccc(OC)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296026659 1064086530 /nfs/dbraw/zinc/08/65/30/1064086530.db2.gz HDLTUNAMXPDYEF-FQEVSTJZSA-N 1 0 468.646 2.861 20 0 JFADRO CC[NH+]1CCC(CCn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001296026822 1064086542 /nfs/dbraw/zinc/08/65/42/1064086542.db2.gz JFJHLTRJBUGYRE-QHCPKHFHSA-N 1 0 468.646 2.527 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccsc3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001296026780 1064086611 /nfs/dbraw/zinc/08/66/11/1064086611.db2.gz IDDADELPPJYUJQ-UHFFFAOYSA-N 1 0 474.675 2.784 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001296027195 1064086955 /nfs/dbraw/zinc/08/69/55/1064086955.db2.gz LVIJACHSZAMRNU-UHFFFAOYSA-N 1 0 482.677 2.970 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296031020 1064088286 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NXTZZJBLOXPZDJ-HXUWFJFHSA-N 1 0 466.634 2.840 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3cncc4nc(C)nn43)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291609314 1064146383 /nfs/dbraw/zinc/14/63/83/1064146383.db2.gz SEELASHTNYGIAJ-ZWKOTPCHSA-N 1 0 454.627 2.595 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001296080909 1064147639 /nfs/dbraw/zinc/14/76/39/1064147639.db2.gz OFIVXMUDWUKTTD-FPOVZHCZSA-N 1 0 467.618 2.689 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001291610789 1064148369 /nfs/dbraw/zinc/14/83/69/1064148369.db2.gz PRSWLYBBFOGAQQ-VQTJNVASSA-N 1 0 458.630 2.678 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001296081055 1064148309 /nfs/dbraw/zinc/14/83/09/1064148309.db2.gz PRBVOQWYGCADNA-QFUCXCTJSA-N 1 0 460.648 2.886 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C)C(=O)C1 ZINC001296081329 1064148641 /nfs/dbraw/zinc/14/86/41/1064148641.db2.gz SJSHXXBTXXAJTE-GOSISDBHSA-N 1 0 461.408 2.860 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296081250 1064148749 /nfs/dbraw/zinc/14/87/49/1064148749.db2.gz RWPUHZVSVCFWTA-JOCHJYFZSA-N 1 0 467.618 2.690 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001296083606 1064151199 /nfs/dbraw/zinc/15/11/99/1064151199.db2.gz GPFKRTYMEMWZHL-KRWDZBQOSA-N 1 0 452.529 2.684 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291617020 1064154510 /nfs/dbraw/zinc/15/45/10/1064154510.db2.gz NVAQDHFEUYHSQR-MOPGFXCFSA-N 1 0 463.696 2.642 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001296087736 1064156784 /nfs/dbraw/zinc/15/67/84/1064156784.db2.gz HHEKYSWBKIFNDQ-QGZVFWFLSA-N 1 0 468.023 2.716 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 ZINC001296087738 1064156806 /nfs/dbraw/zinc/15/68/06/1064156806.db2.gz HIUIDRJSXGGVFY-OAQYLSRUSA-N 1 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CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088957 1064159485 /nfs/dbraw/zinc/15/94/85/1064159485.db2.gz WVUAHHYXIXTXHX-RBBKRZOGSA-N 1 0 474.675 2.627 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001296089320 1064160512 /nfs/dbraw/zinc/16/05/12/1064160512.db2.gz OBJUNIGOYIXTFE-XDHUDOTRSA-N 1 0 456.591 2.538 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)(=O)CC1 ZINC001296090378 1064161930 /nfs/dbraw/zinc/16/19/30/1064161930.db2.gz VPGPUEWJVZRDAO-MRXNPFEDSA-N 1 0 455.987 2.847 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001291621611 1064161950 /nfs/dbraw/zinc/16/19/50/1064161950.db2.gz VPGGMNJBPUDWSK-FQEVSTJZSA-N 1 0 464.618 2.897 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCC[NH+]1CCCC1 ZINC001291625792 1064165537 /nfs/dbraw/zinc/16/55/37/1064165537.db2.gz HMYITBXVUSLJBR-VXKWHMMOSA-N 1 0 459.683 2.801 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001296093492 1064165588 /nfs/dbraw/zinc/16/55/88/1064165588.db2.gz NYXFZLDZFDDJBJ-AKIFATBCSA-N 1 0 483.661 2.506 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001296093491 1064165639 /nfs/dbraw/zinc/16/56/39/1064165639.db2.gz NYXFZLDZFDDJBJ-ACIOBRDBSA-N 1 0 483.661 2.506 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296094166 1064166645 /nfs/dbraw/zinc/16/66/45/1064166645.db2.gz VPRSBHRESAHTAS-ACIOBRDBSA-N 1 0 457.619 2.796 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001296095033 1064167542 /nfs/dbraw/zinc/16/75/42/1064167542.db2.gz GMPUVHCRCFBKKU-AABGKKOBSA-N 1 0 489.665 2.891 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291627764 1064169614 /nfs/dbraw/zinc/16/96/14/1064169614.db2.gz GAQGFDAEYSWLLV-RBUKOAKNSA-N 1 0 486.690 2.914 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(N(C)S(=O)(=O)CC)CC2)nnc1C(C)(C)C ZINC001296097390 1064170110 /nfs/dbraw/zinc/17/01/10/1064170110.db2.gz QCKGWUDDUJPRGU-LJQANCHMSA-N 1 0 454.685 2.700 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296097397 1064170606 /nfs/dbraw/zinc/17/06/06/1064170606.db2.gz QGWBDCHYIZNQTF-QIJUGHKUSA-N 1 0 459.591 2.590 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296098366 1064171270 /nfs/dbraw/zinc/17/12/70/1064171270.db2.gz XKHOTUBTGAMCOI-MHECFPHRSA-N 1 0 458.582 2.833 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291628814 1064171715 /nfs/dbraw/zinc/17/17/15/1064171715.db2.gz PKJUMMOLPPGCEU-BJESRGMDSA-N 1 0 473.710 2.902 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[N@H+](CC)C1CC1 ZINC001291630265 1064175933 /nfs/dbraw/zinc/17/59/33/1064175933.db2.gz RYXCZEIZIAZPTM-SFTDATJTSA-N 1 0 459.683 2.799 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1CCC[N@H+](C)C(C)C ZINC001291630924 1064177235 /nfs/dbraw/zinc/17/72/35/1064177235.db2.gz WCERYVFXUCRWHY-IBGZPJMESA-N 1 0 486.690 2.914 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1=O ZINC001296103315 1064180345 /nfs/dbraw/zinc/18/03/45/1064180345.db2.gz MADJXJYBAHFZPV-UHFFFAOYSA-N 1 0 488.080 2.931 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1=O ZINC001296104008 1064183127 /nfs/dbraw/zinc/18/31/27/1064183127.db2.gz ZMTOJURJMVYHBH-IBGZPJMESA-N 1 0 482.585 2.917 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001296106137 1064184550 /nfs/dbraw/zinc/18/45/50/1064184550.db2.gz PEWFVKJVXSJFNA-BGYRXZFFSA-N 1 0 470.618 2.512 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637118 1064184657 /nfs/dbraw/zinc/18/46/57/1064184657.db2.gz DFJWTOPNGIVJSP-WOJBJXKFSA-N 1 0 452.607 2.676 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291637700 1064185140 /nfs/dbraw/zinc/18/51/40/1064185140.db2.gz BRBBHICQGQNWAE-QUCCMNQESA-N 1 0 488.599 2.603 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC001296108947 1064187656 /nfs/dbraw/zinc/18/76/56/1064187656.db2.gz VKHWXUDHJFSLOW-JOCHJYFZSA-N 1 0 463.586 2.710 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3nc(COC)no3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291639730 1064187975 /nfs/dbraw/zinc/18/79/75/1064187975.db2.gz OLKBAWSRNMINQW-PMACEKPBSA-N 1 0 474.654 2.764 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639698 1064188063 /nfs/dbraw/zinc/18/80/63/1064188063.db2.gz OCCZRUCMYACDPO-RTBURBONSA-N 1 0 476.588 2.949 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291640229 1064189034 /nfs/dbraw/zinc/18/90/34/1064189034.db2.gz UIEHGMMYBCXCDG-KCZVDYSFSA-N 1 0 474.675 2.926 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC[C@@H](O)C1 ZINC001291640391 1064189495 /nfs/dbraw/zinc/18/94/95/1064189495.db2.gz RQAIQXONCQUIHG-MYDTUXCISA-N 1 0 462.683 2.574 20 0 JFADRO CC(=O)N[C@H](CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1F ZINC001291640646 1064190150 /nfs/dbraw/zinc/19/01/50/1064190150.db2.gz HPFQZKJUJRABDT-JOCHJYFZSA-N 1 0 458.509 2.868 20 0 JFADRO CCN1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CC(C)C)[NH+](C)C)CC1=O ZINC001296111025 1064190429 /nfs/dbraw/zinc/19/04/29/1064190429.db2.gz UIZZMOMSGKXXKR-SIKLNZKXSA-N 1 0 470.618 2.826 20 0 JFADRO CCN1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1=O ZINC001296111024 1064190433 /nfs/dbraw/zinc/19/04/33/1064190433.db2.gz UIZZMOMSGKXXKR-KNQAVFIVSA-N 1 0 470.618 2.826 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291643439 1064194631 /nfs/dbraw/zinc/19/46/31/1064194631.db2.gz PDVMRWKMZDGSGB-FHWLQOOXSA-N 1 0 476.588 2.602 20 0 JFADRO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001296114530 1064195439 /nfs/dbraw/zinc/19/54/39/1064195439.db2.gz YQSFJCHPHKPDIE-LADGPHEKSA-N 1 0 453.558 2.624 20 0 JFADRO CCN1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001296116157 1064195867 /nfs/dbraw/zinc/19/58/67/1064195867.db2.gz BGHSCESLOSILHU-FGZHOGPDSA-N 1 0 468.646 2.621 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC(=O)NCC(F)(F)F ZINC001291643841 1064196055 /nfs/dbraw/zinc/19/60/55/1064196055.db2.gz RRTFWTUBIMKTAE-OAHLLOKOSA-N 1 0 458.554 2.896 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001291643905 1064196516 /nfs/dbraw/zinc/19/65/16/1064196516.db2.gz MABMNHDHBGAFPL-GBESFXJTSA-N 1 0 466.652 2.938 20 0 JFADRO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001296116485 1064196776 /nfs/dbraw/zinc/19/67/76/1064196776.db2.gz FIPQAGXDAWFOOZ-IBGZPJMESA-N 1 0 470.666 2.709 20 0 JFADRO CC[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291649650 1064202767 /nfs/dbraw/zinc/20/27/67/1064202767.db2.gz OBPMISPOALNLIU-CVEARBPZSA-N 1 0 455.529 2.995 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650038 1064203196 /nfs/dbraw/zinc/20/31/96/1064203196.db2.gz PBOIBFMIPPVKNF-ICSRJNTNSA-N 1 0 460.648 2.765 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCCCC3)CC2)CC1 ZINC001296118999 1064203177 /nfs/dbraw/zinc/20/31/77/1064203177.db2.gz MSUHYFKAOOVJHT-UHFFFAOYSA-N 1 0 473.710 2.733 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccn4C)n3C[C@@H](C)[NH+](CC)CC)CC2)CC1 ZINC001296119350 1064204177 /nfs/dbraw/zinc/20/41/77/1064204177.db2.gz SBDKWVBHIQEYHN-JOCHJYFZSA-N 1 0 498.720 2.785 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccn4C)n3C[C@H](C)[NH+](CC)CC)CC2)CC1 ZINC001296119353 1064204239 /nfs/dbraw/zinc/20/42/39/1064204239.db2.gz SBDKWVBHIQEYHN-QFIPXVFZSA-N 1 0 498.720 2.785 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001291652430 1064205433 /nfs/dbraw/zinc/20/54/33/1064205433.db2.gz SFWMIZYFGQEOOG-DFQSSKMNSA-N 1 0 453.591 2.567 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291654313 1064206351 /nfs/dbraw/zinc/20/63/51/1064206351.db2.gz GTEMDJVSSHFTMN-NQIIRXRSSA-N 1 0 454.619 2.580 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291654314 1064206599 /nfs/dbraw/zinc/20/65/99/1064206599.db2.gz GTEMDJVSSHFTMN-RXVVDRJESA-N 1 0 454.619 2.580 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1=O ZINC001296119940 1064207132 /nfs/dbraw/zinc/20/71/32/1064207132.db2.gz IMYIPZJCDZLBLO-HXUWFJFHSA-N 1 0 488.608 2.556 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120227 1064208572 /nfs/dbraw/zinc/20/85/72/1064208572.db2.gz GIHCMCAUEWDJKE-SVFBPWRDSA-N 1 0 460.598 2.808 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccccc3F)n2CC[NH+]2CCCCCC2)CC1=O ZINC001296120426 1064209484 /nfs/dbraw/zinc/20/94/84/1064209484.db2.gz OZLAXHQQMAMJKV-UHFFFAOYSA-N 1 0 458.582 2.931 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001296120543 1064210142 /nfs/dbraw/zinc/21/01/42/1064210142.db2.gz JGGDHSVYSJRWEX-VQTJNVASSA-N 1 0 486.690 2.529 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001296121259 1064212226 /nfs/dbraw/zinc/21/22/26/1064212226.db2.gz NJHDGHNBSWDBPY-VAMGGRTRSA-N 1 0 454.623 2.576 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001291669988 1064212412 /nfs/dbraw/zinc/21/24/12/1064212412.db2.gz NDIKMFUQZPHRBO-SLFFLAALSA-N 1 0 474.654 2.902 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3ccccc3C)C2)CC1 ZINC001296121535 1064213127 /nfs/dbraw/zinc/21/31/27/1064213127.db2.gz PWVAMDFPRLASSE-VXKWHMMOSA-N 1 0 467.662 2.745 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)C2CC2)CC1 ZINC001296121813 1064213733 /nfs/dbraw/zinc/21/37/33/1064213733.db2.gz QZFONFYFXMJFDU-HNNXBMFYSA-N 1 0 450.429 2.671 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001291672347 1064214105 /nfs/dbraw/zinc/21/41/05/1064214105.db2.gz QCEZFUGHMUQADB-SFTDATJTSA-N 1 0 493.697 2.549 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296123816 1064216295 /nfs/dbraw/zinc/21/62/95/1064216295.db2.gz CIHMRKVLGVCDHI-QGZVFWFLSA-N 1 0 463.424 2.570 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296125153 1064217977 /nfs/dbraw/zinc/21/79/77/1064217977.db2.gz LCQJTNDUBREEPV-FQEVSTJZSA-N 1 0 487.649 2.787 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[NH+]1CCCC1 ZINC001291692157 1064218670 /nfs/dbraw/zinc/21/86/70/1064218670.db2.gz DLYRRLGZKSRCSO-IPMKNSEASA-N 1 0 478.638 2.638 20 0 JFADRO CC[C@@H](C)c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291692714 1064219135 /nfs/dbraw/zinc/21/91/35/1064219135.db2.gz HNADMFWFBDBSCW-VAMGGRTRSA-N 1 0 479.691 2.904 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125562 1064219275 /nfs/dbraw/zinc/21/92/75/1064219275.db2.gz MSTKVHZNGKERFY-UGKGYDQZSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001296125572 1064219676 /nfs/dbraw/zinc/21/96/76/1064219676.db2.gz MUSHGNSEPDCKJD-PKOBYXMFSA-N 1 0 462.042 2.881 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001296126456 1064220447 /nfs/dbraw/zinc/22/04/47/1064220447.db2.gz QHRWTYSHVMHQPH-RBUKOAKNSA-N 1 0 467.618 2.536 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296128472 1064222852 /nfs/dbraw/zinc/22/28/52/1064222852.db2.gz ZGULERYFNBSDIJ-OAQYLSRUSA-N 1 0 497.688 2.674 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129597 1064222899 /nfs/dbraw/zinc/22/28/99/1064222899.db2.gz AWQIGCTWUGXVNN-MSOLQXFVSA-N 1 0 465.046 2.569 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291707574 1064223539 /nfs/dbraw/zinc/22/35/39/1064223539.db2.gz ZBHOGHRFNORFGV-SIKLNZKXSA-N 1 0 467.622 2.760 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291707575 1064223578 /nfs/dbraw/zinc/22/35/78/1064223578.db2.gz ZBHOGHRFNORFGV-UGKGYDQZSA-N 1 0 467.622 2.760 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 ZINC001296130034 1064223663 /nfs/dbraw/zinc/22/36/63/1064223663.db2.gz AWWIRFKZMDDADT-OAQYLSRUSA-N 1 0 499.679 2.994 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296130959 1064224547 /nfs/dbraw/zinc/22/45/47/1064224547.db2.gz GVRLFKXUILOUEK-FQEVSTJZSA-N 1 0 474.723 2.590 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131353 1064225376 /nfs/dbraw/zinc/22/53/76/1064225376.db2.gz JKDXLXBANAYMBN-ZWKOTPCHSA-N 1 0 467.456 2.687 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001296131538 1064225911 /nfs/dbraw/zinc/22/59/11/1064225911.db2.gz LMVIIOFPIJDLKQ-SFHVURJKSA-N 1 0 474.053 2.985 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC001296131765 1064227020 /nfs/dbraw/zinc/22/70/20/1064227020.db2.gz MXRLCEHNIIYVJJ-FQEVSTJZSA-N 1 0 490.766 2.896 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296131911 1064227519 /nfs/dbraw/zinc/22/75/19/1064227519.db2.gz NAZGQJGAFHXTEQ-AABGKKOBSA-N 1 0 488.599 2.746 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001296132006 1064228044 /nfs/dbraw/zinc/22/80/44/1064228044.db2.gz PVHHWNNGXVDBFT-TZIWHRDSSA-N 1 0 475.707 2.913 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296132032 1064228426 /nfs/dbraw/zinc/22/84/26/1064228426.db2.gz QCNAZZJVARMFKQ-YLJYHZDGSA-N 1 0 484.542 2.802 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132219 1064228721 /nfs/dbraw/zinc/22/87/21/1064228721.db2.gz PSAWOOKZAUQXGK-MBSDFSHPSA-N 1 0 495.594 2.896 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296132185 1064228798 /nfs/dbraw/zinc/22/87/98/1064228798.db2.gz RRENDOGSKXCBAL-INIZCTEOSA-N 1 0 492.097 2.683 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296132246 1064229415 /nfs/dbraw/zinc/22/94/15/1064229415.db2.gz AAQWDLWRWQZXBR-RLWLMLJZSA-N 1 0 486.661 2.897 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCN(C(=O)C4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296132593 1064230728 /nfs/dbraw/zinc/23/07/28/1064230728.db2.gz BVDZRVQYTWUYHV-NRFANRHFSA-N 1 0 473.710 2.831 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296132717 1064231538 /nfs/dbraw/zinc/23/15/38/1064231538.db2.gz VJQQNNYHRYXTOU-NRFANRHFSA-N 1 0 463.630 2.935 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296132802 1064231604 /nfs/dbraw/zinc/23/16/04/1064231604.db2.gz CYZYWXKEYBFIJX-AWEZNQCLSA-N 1 0 462.400 2.539 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296133579 1064233957 /nfs/dbraw/zinc/23/39/57/1064233957.db2.gz JBPJPTNZABPUDU-MOPGFXCFSA-N 1 0 463.026 2.762 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296133591 1064234048 /nfs/dbraw/zinc/23/40/48/1064234048.db2.gz JKANICGOYDVWGX-JOCHJYFZSA-N 1 0 499.704 2.851 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296133600 1064234386 /nfs/dbraw/zinc/23/43/86/1064234386.db2.gz JNXNFROKTUWPKE-YADHBBJMSA-N 1 0 456.635 2.725 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001291751477 1064234849 /nfs/dbraw/zinc/23/48/49/1064234849.db2.gz DZKATAASRUTAKL-GOSISDBHSA-N 1 0 499.660 2.853 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134384 1064235672 /nfs/dbraw/zinc/23/56/72/1064235672.db2.gz OJZRVCXDSRZDSC-UYAOXDASSA-N 1 0 499.626 2.542 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001291754365 1064236649 /nfs/dbraw/zinc/23/66/49/1064236649.db2.gz SJEUPTAMZGRXNF-RTWAWAEBSA-N 1 0 487.693 2.719 20 0 JFADRO CC[C@H](C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001291754469 1064236669 /nfs/dbraw/zinc/23/66/69/1064236669.db2.gz QYJWAKDRTOCMLC-XUVXKRRUSA-N 1 0 484.711 2.604 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296134939 1064237585 /nfs/dbraw/zinc/23/75/85/1064237585.db2.gz TUHQUROUDRTMRG-RCZVLFRGSA-N 1 0 472.682 2.561 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001291759728 1064240139 /nfs/dbraw/zinc/24/01/39/1064240139.db2.gz HTRLBKVGDNEUTP-LJQANCHMSA-N 1 0 482.633 2.753 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296136204 1064240859 /nfs/dbraw/zinc/24/08/59/1064240859.db2.gz GRJHXDGMTSMJET-NJDAHSKKSA-N 1 0 491.681 2.601 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296136205 1064241368 /nfs/dbraw/zinc/24/13/68/1064241368.db2.gz GRJHXDGMTSMJET-PWRODBHTSA-N 1 0 491.681 2.601 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCOC2)C1 ZINC001291760915 1064242132 /nfs/dbraw/zinc/24/21/32/1064242132.db2.gz OQTOEJZBPIMLTH-MBSDFSHPSA-N 1 0 461.632 2.696 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001291760916 1064242193 /nfs/dbraw/zinc/24/21/93/1064242193.db2.gz OQTOEJZBPIMLTH-WZONZLPQSA-N 1 0 461.632 2.696 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001296136712 1064242260 /nfs/dbraw/zinc/24/22/60/1064242260.db2.gz KJWNYYIWYNVQKZ-SBUREZEXSA-N 1 0 461.010 2.606 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137831 1064244362 /nfs/dbraw/zinc/24/43/62/1064244362.db2.gz QYCVLUXVLTZOMO-LRXVAGHRSA-N 1 0 488.599 2.685 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001296138414 1064245176 /nfs/dbraw/zinc/24/51/76/1064245176.db2.gz WNQXCTNYIMKMSG-BJESRGMDSA-N 1 0 460.667 2.821 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001291764709 1064245193 /nfs/dbraw/zinc/24/51/93/1064245193.db2.gz FUSSBEYWUMZFBY-LJQANCHMSA-N 1 0 480.617 2.809 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296138865 1064245650 /nfs/dbraw/zinc/24/56/50/1064245650.db2.gz YEIZTSGEVQHCKE-XWGVYQGASA-N 1 0 470.662 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JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001296141945 1064248020 /nfs/dbraw/zinc/24/80/20/1064248020.db2.gz HCOPGBCDVPAKEV-GOSISDBHSA-N 1 0 464.561 2.799 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766807 1064248508 /nfs/dbraw/zinc/24/85/08/1064248508.db2.gz YXTRUOQZUVJUKN-INIZCTEOSA-N 1 0 484.070 2.584 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001291766722 1064248577 /nfs/dbraw/zinc/24/85/77/1064248577.db2.gz FULQNFHGNGMZBW-OAQYLSRUSA-N 1 0 492.672 2.870 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1C ZINC001296142129 1064248502 /nfs/dbraw/zinc/24/85/02/1064248502.db2.gz JOMTYSIFARWYKE-RBUKOAKNSA-N 1 0 473.622 2.674 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291766690 1064248652 /nfs/dbraw/zinc/24/86/52/1064248652.db2.gz FKKFSJHQPUTEKV-IEBWSBKVSA-N 1 0 477.631 2.808 20 0 JFADRO 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JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001296148174 1064258917 /nfs/dbraw/zinc/25/89/17/1064258917.db2.gz TZULNANZQURRCB-INIZCTEOSA-N 1 0 491.434 2.520 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001291773685 1064259809 /nfs/dbraw/zinc/25/98/09/1064259809.db2.gz IWTNOXQWJPJKIC-VQTJNVASSA-N 1 0 472.638 2.684 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001291773721 1064259908 /nfs/dbraw/zinc/25/99/08/1064259908.db2.gz VQXOPHXMDDNJNW-DWXRJYCRSA-N 1 0 494.644 2.668 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(C)CCCO2)C[C@@H]1C ZINC001296148467 1064259930 /nfs/dbraw/zinc/25/99/30/1064259930.db2.gz WIUXFZGAVGUFEV-SBUREZEXSA-N 1 0 461.010 2.961 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001291773810 1064260802 /nfs/dbraw/zinc/26/08/02/1064260802.db2.gz KGXPCPGCWFWTQI-IAGOWNOFSA-N 1 0 464.552 2.925 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296148899 1064261393 /nfs/dbraw/zinc/26/13/93/1064261393.db2.gz CVLTXXGKCVMXIC-LJQANCHMSA-N 1 0 466.586 2.953 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291774092 1064261709 /nfs/dbraw/zinc/26/17/09/1064261709.db2.gz LMHIXGRYFRPGFY-UXHICEINSA-N 1 0 454.619 2.536 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](COC)OC)C[C@@H]1C ZINC001296153455 1064263419 /nfs/dbraw/zinc/26/34/19/1064263419.db2.gz BJDIAQWPYOQHKO-HOTGVXAUSA-N 1 0 452.397 2.899 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001291774985 1064263613 /nfs/dbraw/zinc/26/36/13/1064263613.db2.gz SWHHTVNWZLRWKN-QUCCMNQESA-N 1 0 491.681 2.838 20 0 JFADRO CCN(CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@H+](CC)[C@@H](C)C1)S(C)(=O)=O ZINC001296154077 1064263849 /nfs/dbraw/zinc/26/38/49/1064263849.db2.gz BASBIMUZUIARLD-SFHVURJKSA-N 1 0 473.647 2.628 20 0 JFADRO CCn1nc(-c2nnc(N3CC[N@H+](CC)[C@H](C)C3)n2C[C@@H](C)SC)c2ccccc2c1=O ZINC001296154243 1064264484 /nfs/dbraw/zinc/26/44/84/1064264484.db2.gz CDPJAFSWDLFUIB-IAGOWNOFSA-N 1 0 455.632 2.957 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775802 1064264853 /nfs/dbraw/zinc/26/48/53/1064264853.db2.gz ZQLPQOSHARDIQV-GCJKJVERSA-N 1 0 491.658 2.924 20 0 JFADRO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC001291776140 1064265409 /nfs/dbraw/zinc/26/54/09/1064265409.db2.gz AFRFMZJLPTXFRZ-UHFFFAOYSA-N 1 0 458.006 2.874 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778129 1064265757 /nfs/dbraw/zinc/26/57/57/1064265757.db2.gz HUGUSDBIBKSGAG-UXHICEINSA-N 1 0 492.665 2.934 20 0 JFADRO CCn1nc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCCOC(F)F)c2ccccc2c1=O ZINC001296154796 1064265958 /nfs/dbraw/zinc/26/59/58/1064265958.db2.gz KDNNEURIIUZKTH-INIZCTEOSA-N 1 0 475.544 2.835 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296154767 1064266000 /nfs/dbraw/zinc/26/60/00/1064266000.db2.gz JPKSZMZZWUZKDN-MRXNPFEDSA-N 1 0 452.529 2.540 20 0 JFADRO CCN(CCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[N@H+](CC)[C@@H](C)C1)S(C)(=O)=O ZINC001296154601 1064266067 /nfs/dbraw/zinc/26/60/67/1064266067.db2.gz GURFZXFWAOBWEJ-IBGZPJMESA-N 1 0 487.674 2.639 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001291778324 1064266271 /nfs/dbraw/zinc/26/62/71/1064266271.db2.gz HZQSFSPYGUZMBP-PXNSSMCTSA-N 1 0 451.612 2.752 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001296155708 1064267056 /nfs/dbraw/zinc/26/70/56/1064267056.db2.gz RZMONDDRJHPOFP-KOSHJBKYSA-N 1 0 454.575 2.918 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001291779241 1064267423 /nfs/dbraw/zinc/26/74/23/1064267423.db2.gz ORAWTPUZNQTZPZ-IBGZPJMESA-N 1 0 454.648 2.773 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001296155712 1064267510 /nfs/dbraw/zinc/26/75/10/1064267510.db2.gz RZMONDDRJHPOFP-UUOWRZLLSA-N 1 0 454.575 2.918 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001296155726 1064267631 /nfs/dbraw/zinc/26/76/31/1064267631.db2.gz SDXZHUQRWNKUFE-DZGCQCFKSA-N 1 0 467.437 2.826 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001291780756 1064267760 /nfs/dbraw/zinc/26/77/60/1064267760.db2.gz BFEUQXVJPXPJCK-NRFANRHFSA-N 1 0 461.614 2.957 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291780633 1064267914 /nfs/dbraw/zinc/26/79/14/1064267914.db2.gz AFZAQORNMZEJHL-QGZVFWFLSA-N 1 0 468.693 2.521 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001296155857 1064268009 /nfs/dbraw/zinc/26/80/09/1064268009.db2.gz SDXZHUQRWNKUFE-ZFWWWQNUSA-N 1 0 467.437 2.826 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001291781299 1064268434 /nfs/dbraw/zinc/26/84/34/1064268434.db2.gz DIIKHMYVAHTWDN-ICSRJNTNSA-N 1 0 461.680 2.523 20 0 JFADRO CCn1nc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CCC(=O)NC(C)(C)C)c2ccccc2c1=O ZINC001296155970 1064268686 /nfs/dbraw/zinc/26/86/86/1064268686.db2.gz SMLIEMLNYXKTHL-SFHVURJKSA-N 1 0 494.644 2.510 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001291782027 1064270068 /nfs/dbraw/zinc/27/00/68/1064270068.db2.gz LJHGSTIRWRYZPB-IRLDBZIGSA-N 1 0 453.635 2.740 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(F)(F)Br)C[C@@H]1C ZINC001296157565 1064270437 /nfs/dbraw/zinc/27/04/37/1064270437.db2.gz ZNNXLBYQEOAZPX-NSHDSACASA-N 1 0 461.311 2.524 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001296157506 1064270541 /nfs/dbraw/zinc/27/05/41/1064270541.db2.gz YJSPLBRSCLVYOI-QWFCFKBJSA-N 1 0 470.622 2.911 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001296158182 1064271252 /nfs/dbraw/zinc/27/12/52/1064271252.db2.gz GQVZYQWZQPBGHX-AOUJKTHWSA-N 1 0 492.665 2.932 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001291782784 1064273548 /nfs/dbraw/zinc/27/35/48/1064273548.db2.gz GTQKIPALEPCPHD-VLCRHTCISA-N 1 0 470.618 2.843 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001291782895 1064274098 /nfs/dbraw/zinc/27/40/98/1064274098.db2.gz UVKGCOOMWFRDQD-IRLDBZIGSA-N 1 0 468.650 2.576 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001291783059 1064274752 /nfs/dbraw/zinc/27/47/52/1064274752.db2.gz IBDHJTAQNZSCKP-RTBURBONSA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001291783298 1064275786 /nfs/dbraw/zinc/27/57/86/1064275786.db2.gz JUCQKIUGEWKUBL-VDGAXYAQSA-N 1 0 459.547 2.710 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001291783386 1064275808 /nfs/dbraw/zinc/27/58/08/1064275808.db2.gz KSWLVRXKWBCNDF-RXVVDRJESA-N 1 0 497.644 2.941 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001291783332 1064275832 /nfs/dbraw/zinc/27/58/32/1064275832.db2.gz JWVJIYQIZCBTBV-HXUWFJFHSA-N 1 0 499.635 2.622 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001291783385 1064275861 /nfs/dbraw/zinc/27/58/61/1064275861.db2.gz KSWLVRXKWBCNDF-NQIIRXRSSA-N 1 0 497.644 2.941 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001291784080 1064278345 /nfs/dbraw/zinc/27/83/45/1064278345.db2.gz QLLDDPPNJIFABM-HXUWFJFHSA-N 1 0 494.644 2.538 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001291784071 1064278420 /nfs/dbraw/zinc/27/84/20/1064278420.db2.gz QKRSGUVUFSIJKQ-HXUWFJFHSA-N 1 0 466.634 2.902 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001296163762 1064280001 /nfs/dbraw/zinc/28/00/01/1064280001.db2.gz YQCXLJAYJNMTNQ-WIYYLYMNSA-N 1 0 461.632 2.696 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291785482 1064281170 /nfs/dbraw/zinc/28/11/70/1064281170.db2.gz VRWDIONFPIFYAX-MOPGFXCFSA-N 1 0 477.654 2.576 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN(C)S(=O)(=O)CC)C[C@H]1C ZINC001296163957 1064281461 /nfs/dbraw/zinc/28/14/61/1064281461.db2.gz ZLDNMELZACRVQD-GOSISDBHSA-N 1 0 483.082 2.724 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296165395 1064283924 /nfs/dbraw/zinc/28/39/24/1064283924.db2.gz ISALREGYPKPTAE-FXAWDEMLSA-N 1 0 475.588 2.512 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001296164878 1064284159 /nfs/dbraw/zinc/28/41/59/1064284159.db2.gz FKLWQKZJKGLKIW-LJQANCHMSA-N 1 0 474.654 2.973 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001296172841 1064294091 /nfs/dbraw/zinc/29/40/91/1064294091.db2.gz ASCRWALQYLYQQZ-MOPGFXCFSA-N 1 0 477.654 2.795 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC)C[C@H]1C ZINC001296173294 1064295268 /nfs/dbraw/zinc/29/52/68/1064295268.db2.gz FFENFZSOPKCZJS-FGSXEWAUSA-N 1 0 459.591 2.598 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(OC)ccc2OC)C[C@@H]1C ZINC001296173295 1064295397 /nfs/dbraw/zinc/29/53/97/1064295397.db2.gz FFENFZSOPKCZJS-SPEDKVCISA-N 1 0 459.591 2.598 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnccc2OC)C[C@@H]1C ZINC001296173370 1064296002 /nfs/dbraw/zinc/29/60/02/1064296002.db2.gz IAOSLIBTQHUXSD-SFHVURJKSA-N 1 0 452.559 2.848 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC001296173803 1064298165 /nfs/dbraw/zinc/29/81/65/1064298165.db2.gz KKDSSBQWUMCXSV-QFIPXVFZSA-N 1 0 467.662 2.542 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)CN2CCOCC2)C[C@H]1C ZINC001296173923 1064299407 /nfs/dbraw/zinc/29/94/07/1064299407.db2.gz MUZKQWVHNPWQQP-NFBKMPQASA-N 1 0 470.662 2.973 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296173919 1064299516 /nfs/dbraw/zinc/29/95/16/1064299516.db2.gz MREYACWEZDVLKU-GOSISDBHSA-N 1 0 454.550 2.582 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2ccnc2C)C[C@H]1C ZINC001296174118 1064300209 /nfs/dbraw/zinc/30/02/09/1064300209.db2.gz NUNUCBDKNSOSCN-RLLQIKCJSA-N 1 0 472.638 2.784 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3nnc(C(C)(C)C)s3)C2)CC1 ZINC001296174779 1064303039 /nfs/dbraw/zinc/30/30/39/1064303039.db2.gz UDFYUVMTSGLPJP-KRWDZBQOSA-N 1 0 460.696 2.989 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)C1=O ZINC001296178512 1064305305 /nfs/dbraw/zinc/30/53/05/1064305305.db2.gz AAEFGGNTGGRQMH-JOCHJYFZSA-N 1 0 489.709 2.950 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296178733 1064306291 /nfs/dbraw/zinc/30/62/91/1064306291.db2.gz CNLGCBVMUROQER-HWHXTQLESA-N 1 0 474.625 2.934 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CCCC[NH+]3CCOCC3)CC2)C1=O ZINC001296179131 1064307736 /nfs/dbraw/zinc/30/77/36/1064307736.db2.gz FHTLIYSXRVCIMD-UHFFFAOYSA-N 1 0 475.682 2.705 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179140 1064308277 /nfs/dbraw/zinc/30/82/77/1064308277.db2.gz DMSJSOIGIJWRRT-GMAHTHKFSA-N 1 0 456.635 2.575 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)C1=O ZINC001296179439 1064308758 /nfs/dbraw/zinc/30/87/58/1064308758.db2.gz GJZKJMFBUNWZOW-HXUWFJFHSA-N 1 0 461.655 2.629 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001291798130 1064308871 /nfs/dbraw/zinc/30/88/71/1064308871.db2.gz TUEYFDARDRUIOU-NHCUHLMSSA-N 1 0 484.645 2.807 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180610 1064312472 /nfs/dbraw/zinc/31/24/72/1064312472.db2.gz OOZKSBQGHSORGB-JTHBVZDNSA-N 1 0 499.679 2.566 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001291802849 1064313451 /nfs/dbraw/zinc/31/34/51/1064313451.db2.gz GNHANKJLCKWLLQ-AZUAARDMSA-N 1 0 489.068 2.515 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001296181158 1064314283 /nfs/dbraw/zinc/31/42/83/1064314283.db2.gz SRIMJVKKTPDHBO-YADARESESA-N 1 0 477.053 2.602 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181825 1064318401 /nfs/dbraw/zinc/31/84/01/1064318401.db2.gz DYVHWJBDMMMHPY-KOSHJBKYSA-N 1 0 462.589 2.524 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3C[C@](C)(O)CC)C2)CC1 ZINC001296181826 1064318478 /nfs/dbraw/zinc/31/84/78/1064318478.db2.gz DYVHWJBDMMMHPY-MHECFPHRSA-N 1 0 462.589 2.524 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC001296181862 1064319230 /nfs/dbraw/zinc/31/92/30/1064319230.db2.gz FOVKSKXSJAAARN-HSZRJFAPSA-N 1 0 454.663 2.969 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@@](C)=O)cc3)C2)CC1 ZINC001296181858 1064319268 /nfs/dbraw/zinc/31/92/68/1064319268.db2.gz FOEPBCXDPVWGJO-PVAZPRTOSA-N 1 0 472.703 2.620 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001291804222 1064320339 /nfs/dbraw/zinc/32/03/39/1064320339.db2.gz PCSTVQLZDVXPOM-FHWLQOOXSA-N 1 0 470.618 2.940 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(Cc4cccnc4)n3C[C@@H](C)[NH+](CC)CC)CC2)C1=O ZINC001296181979 1064320606 /nfs/dbraw/zinc/32/06/06/1064320606.db2.gz IPAHUOHCNGWENI-HXUWFJFHSA-N 1 0 468.650 2.721 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001291804568 1064322250 /nfs/dbraw/zinc/32/22/50/1064322250.db2.gz RGJGWSJRYIMFET-SFHVURJKSA-N 1 0 458.607 2.700 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](COC)C2)CC1 ZINC001296183827 1064329685 /nfs/dbraw/zinc/32/96/85/1064329685.db2.gz GOTYKQPMBCBULV-NHCUHLMSSA-N 1 0 456.635 2.700 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001296183848 1064330435 /nfs/dbraw/zinc/33/04/35/1064330435.db2.gz HCUPNFCGTUCCIL-HKUYNNGSSA-N 1 0 494.482 2.925 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296184425 1064332262 /nfs/dbraw/zinc/33/22/62/1064332262.db2.gz KXYUCVSHBAWKTA-WMZOPIPTSA-N 1 0 480.455 2.534 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC001296186028 1064333561 /nfs/dbraw/zinc/33/35/61/1064333561.db2.gz SDBBLVJCQQNPKG-JOCHJYFZSA-N 1 0 473.710 2.904 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001291810659 1064336726 /nfs/dbraw/zinc/33/67/26/1064336726.db2.gz YMUOMHOHRMFWHY-SFHVURJKSA-N 1 0 480.617 2.677 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190053 1064336869 /nfs/dbraw/zinc/33/68/69/1064336869.db2.gz BHZFOPVYDKCCGU-RTWAWAEBSA-N 1 0 488.681 2.835 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296190362 1064337648 /nfs/dbraw/zinc/33/76/48/1064337648.db2.gz CMLJVJLUJTYQJV-OAQYLSRUSA-N 1 0 487.718 2.509 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296190699 1064340279 /nfs/dbraw/zinc/34/02/79/1064340279.db2.gz DYDFIVHPKCTTLP-OAQYLSRUSA-N 1 0 485.652 2.758 20 0 JFADRO COc1ccccc1[C@H](CNC(=O)c1[nH]ncc1I)[NH+]1CCCCC1 ZINC001291814300 1064342831 /nfs/dbraw/zinc/34/28/31/1064342831.db2.gz GHUSDHSSAMHTCR-HNNXBMFYSA-N 1 0 454.312 2.980 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296192042 1064343186 /nfs/dbraw/zinc/34/31/86/1064343186.db2.gz LOUVPVAXCLJMQL-JOCHJYFZSA-N 1 0 467.662 2.619 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCCOCC2)CC1 ZINC001296192542 1064345965 /nfs/dbraw/zinc/34/59/65/1064345965.db2.gz FPSZDRKCWVEYQX-UHFFFAOYSA-N 1 0 483.661 2.792 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2Nc2cnn(C)c2)CC1 ZINC001296192423 1064346144 /nfs/dbraw/zinc/34/61/44/1064346144.db2.gz FBSYBTAILVNFAP-SFHVURJKSA-N 1 0 456.570 2.747 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192766 1064346617 /nfs/dbraw/zinc/34/66/17/1064346617.db2.gz NQPJNKRVJXPNBR-IRLDBZIGSA-N 1 0 456.635 2.701 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192762 1064346790 /nfs/dbraw/zinc/34/67/90/1064346790.db2.gz NQPJNKRVJXPNBR-IFMALSPDSA-N 1 0 456.635 2.701 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296193411 1064351161 /nfs/dbraw/zinc/35/11/61/1064351161.db2.gz PDROLAUYWKMQQB-IEBWSBKVSA-N 1 0 486.608 2.972 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296193562 1064351679 /nfs/dbraw/zinc/35/16/79/1064351679.db2.gz JSAQNECAAJNSPA-VQTJNVASSA-N 1 0 488.080 2.929 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296193811 1064353305 /nfs/dbraw/zinc/35/33/05/1064353305.db2.gz JULVNYORQICCCW-HXUWFJFHSA-N 1 0 474.625 2.885 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001291818266 1064354576 /nfs/dbraw/zinc/35/45/76/1064354576.db2.gz SLNQBOSANSCABJ-UNMCSNQZSA-N 1 0 453.635 2.881 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296194148 1064354583 /nfs/dbraw/zinc/35/45/83/1064354583.db2.gz MAOREIUCXCFWJW-NHCUHLMSSA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194341 1064355531 /nfs/dbraw/zinc/35/55/31/1064355531.db2.gz RIFHOEZOSIXMOO-SFTDATJTSA-N 1 0 489.709 2.950 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296194625 1064356743 /nfs/dbraw/zinc/35/67/43/1064356743.db2.gz MWROTUMZGPJUNH-SFTDATJTSA-N 1 0 474.625 2.885 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296194623 1064356999 /nfs/dbraw/zinc/35/69/99/1064356999.db2.gz MWROTUMZGPJUNH-RTWAWAEBSA-N 1 0 474.625 2.885 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296194768 1064357431 /nfs/dbraw/zinc/35/74/31/1064357431.db2.gz FSAUJMKTVJNZSJ-MJGOQNOKSA-N 1 0 469.556 2.847 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296195272 1064359854 /nfs/dbraw/zinc/35/98/54/1064359854.db2.gz NSJHCVARINXYES-NRFANRHFSA-N 1 0 486.709 2.666 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCCN(c4nc(C)ns4)CC3)nnc2C(C)(C)C)CC1 ZINC001296195282 1064360297 /nfs/dbraw/zinc/36/02/97/1064360297.db2.gz NVUWAKUJESLYSO-LJQANCHMSA-N 1 0 489.738 2.726 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296195308 1064360329 /nfs/dbraw/zinc/36/03/29/1064360329.db2.gz OLJYJTPBSJKNIL-UHFFFAOYSA-N 1 0 485.599 2.711 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001296195285 1064360373 /nfs/dbraw/zinc/36/03/73/1064360373.db2.gz NWZONYCDCVMVHZ-OAQYLSRUSA-N 1 0 486.709 2.807 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296195607 1064361853 /nfs/dbraw/zinc/36/18/53/1064361853.db2.gz WMDQWHCNYBRSAK-GBESFXJTSA-N 1 0 460.589 2.906 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001296195732 1064363352 /nfs/dbraw/zinc/36/33/52/1064363352.db2.gz QXKMZDZMRPVQGG-MSOLQXFVSA-N 1 0 466.556 2.787 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296196120 1064365817 /nfs/dbraw/zinc/36/58/17/1064365817.db2.gz XJFWDYFRSVTDEO-SFHVURJKSA-N 1 0 460.589 2.644 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001291822765 1064366343 /nfs/dbraw/zinc/36/63/43/1064366343.db2.gz NQHRKMUWDVCAPR-YADHBBJMSA-N 1 0 487.693 2.798 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3ccccc3C)C2)CC1 ZINC001296196380 1064366514 /nfs/dbraw/zinc/36/65/14/1064366514.db2.gz SLNFNKNGYXCEHN-DEOSSOPVSA-N 1 0 497.688 2.720 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296196505 1064367343 /nfs/dbraw/zinc/36/73/43/1064367343.db2.gz UDVYINJFELCEPK-RBUKOAKNSA-N 1 0 474.053 2.539 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296196681 1064369729 /nfs/dbraw/zinc/36/97/29/1064369729.db2.gz RNUCGSLDNCZAHH-UHFFFAOYSA-N 1 0 468.572 2.875 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296196945 1064371096 /nfs/dbraw/zinc/37/10/96/1064371096.db2.gz WDFBTOIVZZJXNJ-XZOQPEGZSA-N 1 0 498.672 2.829 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001296197101 1064372587 /nfs/dbraw/zinc/37/25/87/1064372587.db2.gz TZTCDSNSIQLOQS-HSZRJFAPSA-N 1 0 496.704 2.807 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3csc(C)n3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296201847 1064375767 /nfs/dbraw/zinc/37/57/67/1064375767.db2.gz BTPLAGLLPCLFTR-UHFFFAOYSA-N 1 0 461.680 2.667 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)ccc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001296202112 1064376629 /nfs/dbraw/zinc/37/66/29/1064376629.db2.gz DPBTWZOLAVPHFS-HSZRJFAPSA-N 1 0 497.688 2.559 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296203497 1064381283 /nfs/dbraw/zinc/38/12/83/1064381283.db2.gz AHJNYWBMCUKPJX-UHFFFAOYSA-N 1 0 481.567 2.570 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296203765 1064383024 /nfs/dbraw/zinc/38/30/24/1064383024.db2.gz PFJCYLXPHKEVML-NHCUHLMSSA-N 1 0 462.683 2.840 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296203794 1064383421 /nfs/dbraw/zinc/38/34/21/1064383421.db2.gz OJQPKNPXSZCICF-HXUWFJFHSA-N 1 0 461.655 2.677 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001291829088 1064384091 /nfs/dbraw/zinc/38/40/91/1064384091.db2.gz JUAJMJAKEVXGCJ-FQEVSTJZSA-N 1 0 461.699 2.877 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC001296204325 1064385569 /nfs/dbraw/zinc/38/55/69/1064385569.db2.gz RZYKHDWFNFJRLY-UHFFFAOYSA-N 1 0 487.718 2.918 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296204593 1064386243 /nfs/dbraw/zinc/38/62/43/1064386243.db2.gz TZGUEILFJVTNBV-HSZRJFAPSA-N 1 0 497.688 2.559 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)c2cccc(O)c2)CC1 ZINC001296204473 1064386451 /nfs/dbraw/zinc/38/64/51/1064386451.db2.gz JQUHOJNAQRUNGL-LJQANCHMSA-N 1 0 452.607 2.609 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001296205876 1064391894 /nfs/dbraw/zinc/39/18/94/1064391894.db2.gz DTFRFBMFOQRWOG-HSZRJFAPSA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001296205952 1064393442 /nfs/dbraw/zinc/39/34/42/1064393442.db2.gz HVUNUXWTZIHYBR-UHFFFAOYSA-N 1 0 494.059 2.534 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001296206251 1064393942 /nfs/dbraw/zinc/39/39/42/1064393942.db2.gz LMHYGTCNYDBGMS-QFIPXVFZSA-N 1 0 497.688 2.674 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(Br)c3)nnc2N(C)OC)CC1 ZINC001296206286 1064394114 /nfs/dbraw/zinc/39/41/14/1064394114.db2.gz MAZVDSYNMQJVDM-UHFFFAOYSA-N 1 0 467.412 2.741 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296206290 1064394134 /nfs/dbraw/zinc/39/41/34/1064394134.db2.gz MIQDENWFMBTKJI-IBGZPJMESA-N 1 0 461.010 2.625 20 0 JFADRO CCn1cc(CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCN(CC)CC2)cn1 ZINC001296206796 1064396291 /nfs/dbraw/zinc/39/62/91/1064396291.db2.gz STGWRKGQDVZOMM-UHFFFAOYSA-N 1 0 472.041 2.874 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001296207285 1064397294 /nfs/dbraw/zinc/39/72/94/1064397294.db2.gz WIPWZOQAGBCZQC-PMACEKPBSA-N 1 0 474.675 2.611 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296207643 1064398875 /nfs/dbraw/zinc/39/88/75/1064398875.db2.gz ZWMNMASVFYINEM-HYBUGGRVSA-N 1 0 486.661 2.851 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCC(Cn3cc(C)cn3)CC2)CC1 ZINC001296209870 1064399256 /nfs/dbraw/zinc/39/92/56/1064399256.db2.gz AETCDEJFLZPKPN-UHFFFAOYSA-N 1 0 456.683 2.926 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296209916 1064400258 /nfs/dbraw/zinc/40/02/58/1064400258.db2.gz BLONBJFFQNJFIG-HXUWFJFHSA-N 1 0 484.542 2.803 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001296211865 1064402648 /nfs/dbraw/zinc/40/26/48/1064402648.db2.gz QLIGBRJGAUNYFI-IBGZPJMESA-N 1 0 473.632 2.967 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296212399 1064404376 /nfs/dbraw/zinc/40/43/76/1064404376.db2.gz YEHBAXMXJXYJFN-UHFFFAOYSA-N 1 0 481.617 2.533 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296213364 1064408618 /nfs/dbraw/zinc/40/86/18/1064408618.db2.gz IANAQAAAMRZBCL-HXUWFJFHSA-N 1 0 477.698 2.954 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291834183 1064408627 /nfs/dbraw/zinc/40/86/27/1064408627.db2.gz UVNJVGPTCSSRRL-VXKWHMMOSA-N 1 0 497.688 2.722 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001291834464 1064410780 /nfs/dbraw/zinc/41/07/80/1064410780.db2.gz YVCZKMRNCRXDIQ-PGRDOPGGSA-N 1 0 488.080 2.975 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296215959 1064420691 /nfs/dbraw/zinc/42/06/91/1064420691.db2.gz WFMWETNPVVUJQP-OAQYLSRUSA-N 1 0 461.699 2.592 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296216207 1064422376 /nfs/dbraw/zinc/42/23/76/1064422376.db2.gz IOJFXNHQTRRVGM-IKGGRYGDSA-N 1 0 455.632 2.955 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001291838756 1064427279 /nfs/dbraw/zinc/42/72/79/1064427279.db2.gz FDTVIOCRBUUPTL-OAQYLSRUSA-N 1 0 461.699 2.779 20 0 JFADRO CCn1nc(-c2nnc(N3CC[C@H](C)[C@@H](OC)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219156 1064432321 /nfs/dbraw/zinc/43/23/21/1064432321.db2.gz IWVPMIPEJDOUNP-RXVVDRJESA-N 1 0 467.618 2.876 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001296226776 1064458035 /nfs/dbraw/zinc/45/80/35/1064458035.db2.gz ZYJJGUXUWOOHDS-KRWDZBQOSA-N 1 0 490.052 2.554 20 0 JFADRO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)cnc21 ZINC001296228798 1064462089 /nfs/dbraw/zinc/46/20/89/1064462089.db2.gz DWVILNIIKWLPOF-GOSISDBHSA-N 1 0 457.481 2.658 20 0 JFADRO C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296229898 1064464120 /nfs/dbraw/zinc/46/41/20/1064464120.db2.gz DCECILKAANSXGX-HOTGVXAUSA-N 1 0 457.687 2.868 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857590 1064465472 /nfs/dbraw/zinc/46/54/72/1064465472.db2.gz ODWMVAVFVCUSLT-HUVFLSCGSA-N 1 0 482.673 2.970 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001296232047 1064468762 /nfs/dbraw/zinc/46/87/62/1064468762.db2.gz OVKHHZWZLJEFPB-QGZVFWFLSA-N 1 0 490.052 2.845 20 0 JFADRO CC[C@@H](c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291863280 1064474166 /nfs/dbraw/zinc/47/41/66/1064474166.db2.gz OAIXRAJFMKYREH-HYBUGGRVSA-N 1 0 456.660 2.831 20 0 JFADRO CC[C@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864485 1064477624 /nfs/dbraw/zinc/47/76/24/1064477624.db2.gz GLVHKXLXUVVRGP-URXFXBBRSA-N 1 0 481.689 2.938 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001296239434 1064485873 /nfs/dbraw/zinc/48/58/73/1064485873.db2.gz JDWKQSTZXBFYFI-HJNYFJLDSA-N 1 0 495.672 2.881 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(=O)N(C)C)c1ccccc1 ZINC001291873577 1064487309 /nfs/dbraw/zinc/48/73/09/1064487309.db2.gz HFQNMJSPWBTSRC-XMMPIXPASA-N 1 0 481.689 2.903 20 0 JFADRO CC[C@H](c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291874495 1064491687 /nfs/dbraw/zinc/49/16/87/1064491687.db2.gz OTYMZTWCKOZTEA-SQJMNOBHSA-N 1 0 486.686 2.728 20 0 JFADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN1CCCS1(=O)=O)c1ccccc1 ZINC001291875917 1064494777 /nfs/dbraw/zinc/49/47/77/1064494777.db2.gz YBJZUXXWCOPCIW-QFIPXVFZSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(=O)N1CCOCC1)c1ccccc1 ZINC001291880952 1064502911 /nfs/dbraw/zinc/50/29/11/1064502911.db2.gz JVFSZQYERWLERR-QFIPXVFZSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC001291881151 1064503389 /nfs/dbraw/zinc/50/33/89/1064503389.db2.gz LYFSMVUUDIRLOK-OFNKIYASSA-N 1 0 454.619 2.599 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291887943 1064510274 /nfs/dbraw/zinc/51/02/74/1064510274.db2.gz LJEUOCFPGBSCOV-PMVMPFDFSA-N 1 0 467.662 2.548 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001296249249 1064511418 /nfs/dbraw/zinc/51/14/18/1064511418.db2.gz KLZFPQMQAXGDQD-UHFFFAOYSA-N 1 0 460.598 2.937 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889179 1064513906 /nfs/dbraw/zinc/51/39/06/1064513906.db2.gz ZQTANGYXGGDGAK-VWNXMTODSA-N 1 0 497.688 2.982 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@H](CC)[NH+]1CCCC1)c1ccccc1 ZINC001291889670 1064515032 /nfs/dbraw/zinc/51/50/32/1064515032.db2.gz UEGXOSIJZFQBQP-XZOQPEGZSA-N 1 0 468.646 2.989 20 0 JFADRO CCNC(=O)C1(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC001296255866 1064518976 /nfs/dbraw/zinc/51/89/76/1064518976.db2.gz VGBYHBFBKHQVHQ-SFTDATJTSA-N 1 0 459.683 2.703 20 0 JFADRO CC[C@H](c1nnc(N2CCNC(=O)[C@@H]2CC)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001291892734 1064520484 /nfs/dbraw/zinc/52/04/84/1064520484.db2.gz HJHPQEQYMDLVNR-ZEQRLZLVSA-N 1 0 481.689 2.808 20 0 JFADRO C[C@@H](NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1)C1=CC[N@H+](C)CC1 ZINC001296257214 1064522607 /nfs/dbraw/zinc/52/26/07/1064522607.db2.gz GVTNYFGYUGWCDR-CABCVRRESA-N 1 0 450.377 2.683 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001291894436 1064523727 /nfs/dbraw/zinc/52/37/27/1064523727.db2.gz PZVMSXDSCYQIOC-GGAORHGYSA-N 1 0 468.646 2.893 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894881 1064524290 /nfs/dbraw/zinc/52/42/90/1064524290.db2.gz QWRRMYRILSLBKW-FGZHOGPDSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894883 1064524396 /nfs/dbraw/zinc/52/43/96/1064524396.db2.gz QWRRMYRILSLBKW-YADHBBJMSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291895412 1064526336 /nfs/dbraw/zinc/52/63/36/1064526336.db2.gz VWNSDLJYUDDEPY-KUZKVMKQSA-N 1 0 471.646 2.907 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291895610 1064527142 /nfs/dbraw/zinc/52/71/42/1064527142.db2.gz XJCMUZUNNQIYDK-UNMCSNQZSA-N 1 0 454.619 2.599 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291895609 1064527241 /nfs/dbraw/zinc/52/72/41/1064527241.db2.gz XJCMUZUNNQIYDK-RBBKRZOGSA-N 1 0 454.619 2.599 20 0 JFADRO CCNC(=O)C1(Cn2c(CC(C)(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)CCC1 ZINC001296263162 1064529595 /nfs/dbraw/zinc/52/95/95/1064529595.db2.gz HIVVYGFICXITJW-UHFFFAOYSA-N 1 0 484.693 2.970 20 0 JFADRO CC[C@H](c1nnc(N2CCS(=O)CC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291900929 1064531617 /nfs/dbraw/zinc/53/16/17/1064531617.db2.gz KIQYSRNFUQKDBK-GMAHTHKFSA-N 1 0 472.703 2.662 20 0 JFADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291902067 1064532912 /nfs/dbraw/zinc/53/29/12/1064532912.db2.gz AZSAGWNIPAUBCD-XBYSBRQOSA-N 1 0 469.630 2.912 20 0 JFADRO CCNC(=O)C1(Cn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CCC1 ZINC001296267946 1064534606 /nfs/dbraw/zinc/53/46/06/1064534606.db2.gz NCESWYSWIVGNDL-UHFFFAOYSA-N 1 0 470.666 2.679 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC001296274992 1064544524 /nfs/dbraw/zinc/54/45/24/1064544524.db2.gz VUYNKRQIPBXQIA-GOSISDBHSA-N 1 0 495.653 2.598 20 0 JFADRO COC[C@@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001291928024 1064547401 /nfs/dbraw/zinc/54/74/01/1064547401.db2.gz FSDBCFMDHQQCKT-XMMPIXPASA-N 1 0 453.624 2.754 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC001296277738 1064547586 /nfs/dbraw/zinc/54/75/86/1064547586.db2.gz JPFMQSLETJNKQK-PGRDOPGGSA-N 1 0 481.645 2.667 20 0 JFADRO CS(=O)(=O)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001296280004 1064550219 /nfs/dbraw/zinc/55/02/19/1064550219.db2.gz KWLFNNUJTCGOTM-IBGZPJMESA-N 1 0 456.564 2.864 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC001296281104 1064552373 /nfs/dbraw/zinc/55/23/73/1064552373.db2.gz SPKRBIVWCFNYAV-JOCHJYFZSA-N 1 0 452.530 2.577 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1 ZINC001296284281 1064556336 /nfs/dbraw/zinc/55/63/36/1064556336.db2.gz WCLYGEPIVXUYEE-FQEVSTJZSA-N 1 0 475.707 2.978 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296287252 1064559491 /nfs/dbraw/zinc/55/94/91/1064559491.db2.gz SGOBKGFRTDJXFI-LADGPHEKSA-N 1 0 481.689 2.810 20 0 JFADRO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC001291948695 1064560953 /nfs/dbraw/zinc/56/09/53/1064560953.db2.gz JURZPYYJYOKZNZ-CVDCTZTESA-N 1 0 459.612 2.549 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)[NH+](C)C ZINC001291951734 1064563601 /nfs/dbraw/zinc/56/36/01/1064563601.db2.gz FJRLIKBYXGKEPC-YADHBBJMSA-N 1 0 497.644 2.793 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001296290553 1064566992 /nfs/dbraw/zinc/56/69/92/1064566992.db2.gz GWMGBFCTKJFWLR-HXUWFJFHSA-N 1 0 467.662 2.933 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001291955354 1064569544 /nfs/dbraw/zinc/56/95/44/1064569544.db2.gz UVZKSXSFGGXDCR-RTWAWAEBSA-N 1 0 499.660 2.885 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001296294986 1064571024 /nfs/dbraw/zinc/57/10/24/1064571024.db2.gz OTRXSYUYVCYVHV-UHFFFAOYSA-N 1 0 459.683 2.706 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001291961106 1064573453 /nfs/dbraw/zinc/57/34/53/1064573453.db2.gz BSGQMRYBDLJYQW-PXDATVDWSA-N 1 0 472.609 2.923 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291961316 1064573479 /nfs/dbraw/zinc/57/34/79/1064573479.db2.gz GQLASJGEDGFTAR-SIKLNZKXSA-N 1 0 485.633 2.754 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001291961202 1064573522 /nfs/dbraw/zinc/57/35/22/1064573522.db2.gz DHELGLSNOKHYPE-JOCHJYFZSA-N 1 0 473.641 2.661 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCOCC1 ZINC001291961401 1064574144 /nfs/dbraw/zinc/57/41/44/1064574144.db2.gz IITWGNSYKJVPNO-UGKGYDQZSA-N 1 0 484.645 2.758 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291961606 1064574170 /nfs/dbraw/zinc/57/41/70/1064574170.db2.gz LRBPWRLEAWMNDP-VQTJNVASSA-N 1 0 491.658 2.706 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCOCC1 ZINC001291961566 1064574287 /nfs/dbraw/zinc/57/42/87/1064574287.db2.gz LHVPPDJUTLXLAA-VXKWHMMOSA-N 1 0 454.619 2.797 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC001291961970 1064575238 /nfs/dbraw/zinc/57/52/38/1064575238.db2.gz DVRVCXYHLJYIAY-RXVVDRJESA-N 1 0 458.655 2.738 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001296298047 1064575456 /nfs/dbraw/zinc/57/54/56/1064575456.db2.gz DLKGSCUOXMCCPI-NRFANRHFSA-N 1 0 485.702 2.621 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001291963491 1064576635 /nfs/dbraw/zinc/57/66/35/1064576635.db2.gz KLXBVJWEXLBMCP-LJQANCHMSA-N 1 0 456.620 2.965 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001291964751 1064578087 /nfs/dbraw/zinc/57/80/87/1064578087.db2.gz VRJOEGFCPRLQLZ-GGAORHGYSA-N 1 0 469.634 2.582 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291964001 1064578215 /nfs/dbraw/zinc/57/82/15/1064578215.db2.gz LRVMQPLKURACDA-XMMPIXPASA-N 1 0 496.704 2.759 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCNC(=O)[C@H]1CC)[NH+]1CCOCC1 ZINC001291966116 1064579344 /nfs/dbraw/zinc/57/93/44/1064579344.db2.gz UJTRYRIHMBKFSD-FGZHOGPDSA-N 1 0 469.634 2.500 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1)[NH+](C)C ZINC001291966217 1064579678 /nfs/dbraw/zinc/57/96/78/1064579678.db2.gz VHWQJUITEFUXID-PMACEKPBSA-N 1 0 454.579 2.976 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291966448 1064580002 /nfs/dbraw/zinc/58/00/02/1064580002.db2.gz WLYVLDGHCCTADU-NZQKXSOJSA-N 1 0 471.650 2.715 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291966449 1064580162 /nfs/dbraw/zinc/58/01/62/1064580162.db2.gz WLYVLDGHCCTADU-OFNKIYASSA-N 1 0 471.650 2.715 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1)[NH+](C)C ZINC001291966561 1064580462 /nfs/dbraw/zinc/58/04/62/1064580462.db2.gz CIOVIHOBFBLFPU-SFTDATJTSA-N 1 0 456.639 2.573 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001291967063 1064581616 /nfs/dbraw/zinc/58/16/16/1064581616.db2.gz FSASZLKDTACSDB-GMAHTHKFSA-N 1 0 486.636 2.847 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001291967347 1064582317 /nfs/dbraw/zinc/58/23/17/1064582317.db2.gz ICIWMEBVBMMTGY-MSOLQXFVSA-N 1 0 457.710 2.878 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1)[NH+](C)C ZINC001291968819 1064584629 /nfs/dbraw/zinc/58/46/29/1064584629.db2.gz RWTMXENLSNTMDL-GIVPXCGWSA-N 1 0 477.679 2.622 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291969064 1064585093 /nfs/dbraw/zinc/58/50/93/1064585093.db2.gz YCYXCUHOGXYHNW-AABGKKOBSA-N 1 0 455.669 2.552 20 0 JFADRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCNC(=O)c1ccc(Br)cc1 ZINC001291971797 1064586638 /nfs/dbraw/zinc/58/66/38/1064586638.db2.gz KCMNVKFSOWDPGS-UHFFFAOYSA-N 1 0 459.388 2.507 20 0 JFADRO CS(=O)(=O)Nc1cccc2c1CCN(C(=O)CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC001291972024 1064586781 /nfs/dbraw/zinc/58/67/81/1064586781.db2.gz SIGYFJMGVYUUQX-UHFFFAOYSA-N 1 0 456.612 2.545 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291972718 1064587034 /nfs/dbraw/zinc/58/70/34/1064587034.db2.gz CCZCSFATOXTZPJ-DHIUTWEWSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001291973006 1064587557 /nfs/dbraw/zinc/58/75/57/1064587557.db2.gz DMOPVPDKSSOMMW-FQEVSTJZSA-N 1 0 478.707 2.869 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296307785 1064588469 /nfs/dbraw/zinc/58/84/69/1064588469.db2.gz ONXRXVCZWLODFQ-IBGZPJMESA-N 1 0 485.633 2.546 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1)[NH+](C)C ZINC001291974061 1064588696 /nfs/dbraw/zinc/58/86/96/1064588696.db2.gz KZLSMSCDCQHBJC-RJGXRXQPSA-N 1 0 473.666 2.890 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291974277 1064588958 /nfs/dbraw/zinc/58/89/58/1064588958.db2.gz LKHPBALNYQUTQD-LEWJYISDSA-N 1 0 468.606 2.900 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001296307929 1064588953 /nfs/dbraw/zinc/58/89/53/1064588953.db2.gz QJVJNHTYYYQFPL-HXUWFJFHSA-N 1 0 455.607 2.680 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291974280 1064589001 /nfs/dbraw/zinc/58/90/01/1064589001.db2.gz LKHPBALNYQUTQD-SFTDATJTSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291975067 1064589753 /nfs/dbraw/zinc/58/97/53/1064589753.db2.gz QHBSJSHGIVSHMC-NHCUHLMSSA-N 1 0 487.674 2.506 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975383 1064590013 /nfs/dbraw/zinc/59/00/13/1064590013.db2.gz SJAXOOBZGJAELK-DHIUTWEWSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001291975468 1064590127 /nfs/dbraw/zinc/59/01/27/1064590127.db2.gz UGYTXLQXYLUPIE-ZEQKJWHPSA-N 1 0 486.709 2.807 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001296309960 1064590522 /nfs/dbraw/zinc/59/05/22/1064590522.db2.gz JVJRSQHANCAJQB-HXUWFJFHSA-N 1 0 456.639 2.503 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975808 1064591697 /nfs/dbraw/zinc/59/16/97/1064591697.db2.gz ZQSMPEHYMKYYOY-GGAORHGYSA-N 1 0 484.645 2.790 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296312215 1064591821 /nfs/dbraw/zinc/59/18/21/1064591821.db2.gz VMQIRMCDRQLPLR-PMACEKPBSA-N 1 0 469.634 2.926 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296312217 1064592242 /nfs/dbraw/zinc/59/22/42/1064592242.db2.gz VMQIRMCDRQLPLR-VQTJNVASSA-N 1 0 469.634 2.926 20 0 JFADRO CCC(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291976493 1064592451 /nfs/dbraw/zinc/59/24/51/1064592451.db2.gz GVMUNPMWQFQMOR-RUZDIDTESA-N 1 0 498.672 2.971 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001296312272 1064592617 /nfs/dbraw/zinc/59/26/17/1064592617.db2.gz XAPHMUOFTSOFJD-PMACEKPBSA-N 1 0 499.660 2.693 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001296312732 1064592998 /nfs/dbraw/zinc/59/29/98/1064592998.db2.gz YAEGJDIVOGOPPL-PMACEKPBSA-N 1 0 468.650 2.948 20 0 JFADRO CCC(CC)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291977397 1064593269 /nfs/dbraw/zinc/59/32/69/1064593269.db2.gz IYRPFLDXPCLCRF-AZUAARDMSA-N 1 0 473.597 2.576 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC001296316177 1064596768 /nfs/dbraw/zinc/59/67/68/1064596768.db2.gz ONDJQVQJRBOILQ-UHFFFAOYSA-N 1 0 454.623 2.680 20 0 JFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)cc2)C1 ZINC001296323497 1064605841 /nfs/dbraw/zinc/60/58/41/1064605841.db2.gz QPIYKXJWBDTZNO-ZCNNSNEGSA-N 1 0 451.633 2.584 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CSc3ccccc3OC)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001296324252 1064608021 /nfs/dbraw/zinc/60/80/21/1064608021.db2.gz HQYFGPBZDVTVPW-GOSISDBHSA-N 1 0 487.674 2.913 20 0 JFADRO C[C@@H]1C[N@H+](CCCNC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCO1 ZINC001296324304 1064608721 /nfs/dbraw/zinc/60/87/21/1064608721.db2.gz YUQMVJOVVIKEHJ-GOSISDBHSA-N 1 0 459.591 2.678 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291993356 1064609023 /nfs/dbraw/zinc/60/90/23/1064609023.db2.gz GWDLWEPNXASANP-MSOLQXFVSA-N 1 0 458.655 2.995 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292013799 1064642417 /nfs/dbraw/zinc/64/24/17/1064642417.db2.gz MNYDUHJFMWOCID-XXBNENTESA-N 1 0 495.672 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCC=C(C)C ZINC001292017652 1064651608 /nfs/dbraw/zinc/65/16/08/1064651608.db2.gz LMWDARKOCDEQHH-OFNKIYASSA-N 1 0 487.693 2.932 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292020067 1064659458 /nfs/dbraw/zinc/65/94/58/1064659458.db2.gz FHXIHDWQWWTQHD-HDICACEKSA-N 1 0 466.696 2.762 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025924 1064678291 /nfs/dbraw/zinc/67/82/91/1064678291.db2.gz XCHZBYUSIMDTRJ-ZWKOTPCHSA-N 1 0 491.681 2.982 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030035 1064686058 /nfs/dbraw/zinc/68/60/58/1064686058.db2.gz KKFJPMPWYKEWLK-MJGOQNOKSA-N 1 0 477.654 2.736 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292036308 1064700476 /nfs/dbraw/zinc/70/04/76/1064700476.db2.gz MZMGYRFGWNIAIX-RTBURBONSA-N 1 0 489.709 2.915 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001292037055 1064702023 /nfs/dbraw/zinc/70/20/23/1064702023.db2.gz ULNPBPUNWYIWRD-QFIPXVFZSA-N 1 0 483.661 2.770 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CC=CCC1 ZINC001292037528 1064703500 /nfs/dbraw/zinc/70/35/00/1064703500.db2.gz YEFKPVPQPKRZFU-OAQYLSRUSA-N 1 0 493.656 2.948 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292053688 1064718536 /nfs/dbraw/zinc/71/85/36/1064718536.db2.gz RDVXPIMNTAJXNQ-QFIPXVFZSA-N 1 0 487.693 2.910 20 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C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001292072396 1064751173 /nfs/dbraw/zinc/75/11/73/1064751173.db2.gz RALXRFIMTJUAOG-RCDICMHDSA-N 1 0 452.958 2.873 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001292077142 1064759143 /nfs/dbraw/zinc/75/91/43/1064759143.db2.gz WPVDIUIZWAHQSI-RLWLMLJZSA-N 1 0 481.645 2.524 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292077477 1064759617 /nfs/dbraw/zinc/75/96/17/1064759617.db2.gz YLLOODPHRQUYED-YADHBBJMSA-N 1 0 466.721 2.967 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292081882 1064764409 /nfs/dbraw/zinc/76/44/09/1064764409.db2.gz BWBDWCHABCUOOL-SFHVURJKSA-N 1 0 462.639 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292086103 1064768627 /nfs/dbraw/zinc/76/86/27/1064768627.db2.gz QFYYEKOSHKCGIQ-KRWDZBQOSA-N 1 0 469.625 2.704 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC3CC3)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292086426 1064769520 /nfs/dbraw/zinc/76/95/20/1064769520.db2.gz SEYWXQZLZNJWJI-WIYYLYMNSA-N 1 0 487.693 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1CC(C)(C)C[NH+](C)C ZINC001292089441 1064773546 /nfs/dbraw/zinc/77/35/46/1064773546.db2.gz JXYBTENMROCBSQ-HXUWFJFHSA-N 1 0 473.670 2.834 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292090470 1064775172 /nfs/dbraw/zinc/77/51/72/1064775172.db2.gz OVUMVDTZJLJEDP-VWPQPMDRSA-N 1 0 485.681 2.998 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292090510 1064775642 /nfs/dbraw/zinc/77/56/42/1064775642.db2.gz POWLBFVHZTYCPY-HYBUGGRVSA-N 1 0 488.706 2.980 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001292092637 1064780467 /nfs/dbraw/zinc/78/04/67/1064780467.db2.gz YQOAOJOUAPAEQV-RTWAWAEBSA-N 1 0 461.655 2.566 20 0 JFADRO 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JFADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001292183240 1064973614 /nfs/dbraw/zinc/97/36/14/1064973614.db2.gz BXSCTFMCEQXBTG-IBGZPJMESA-N 1 0 490.674 2.574 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1)[NH+]1CCCC1 ZINC001292183394 1064974271 /nfs/dbraw/zinc/97/42/71/1064974271.db2.gz GCRVOEYHNJYWLF-FQEVSTJZSA-N 1 0 458.607 2.700 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001292187729 1064980161 /nfs/dbraw/zinc/98/01/61/1064980161.db2.gz XQDJKCNCGRKONO-IBGZPJMESA-N 1 0 496.081 2.776 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001292187791 1064980478 /nfs/dbraw/zinc/98/04/78/1064980478.db2.gz YTQWBVWFRJDHJH-HNNXBMFYSA-N 1 0 465.371 2.657 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292187778 1064980532 /nfs/dbraw/zinc/98/05/32/1064980532.db2.gz YJYVMXCDDGPKAM-SFHVURJKSA-N 1 0 497.065 2.563 20 0 JFADRO Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)cc12 ZINC001292191418 1064983412 /nfs/dbraw/zinc/98/34/12/1064983412.db2.gz KJSYDJFBVSLFGE-CQSZACIVSA-N 1 0 456.572 2.590 20 0 JFADRO COCC[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 ZINC001292191696 1064983919 /nfs/dbraw/zinc/98/39/19/1064983919.db2.gz NCOWSJKVJCIHOZ-UHFFFAOYSA-N 1 0 453.511 2.560 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292193180 1064985731 /nfs/dbraw/zinc/98/57/31/1064985731.db2.gz PTAAKDJIWBTWEW-SJORKVTESA-N 1 0 491.434 2.902 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292193179 1064985835 /nfs/dbraw/zinc/98/58/35/1064985835.db2.gz PTAAKDJIWBTWEW-IRXDYDNUSA-N 1 0 491.434 2.902 20 0 JFADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292208152 1064997042 /nfs/dbraw/zinc/99/70/42/1064997042.db2.gz OAFSRMQEIOCZND-ICSRJNTNSA-N 1 0 472.638 2.999 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC001292222436 1065008861 /nfs/dbraw/zinc/00/88/61/1065008861.db2.gz BODXDXIBZYFPGX-UXHICEINSA-N 1 0 491.658 2.708 20 0 JFADRO CC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1)OC ZINC001292222671 1065009377 /nfs/dbraw/zinc/00/93/77/1065009377.db2.gz GAKNMJAOTQYRSM-NNMXDRDESA-N 1 0 459.591 2.763 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)OC ZINC001292225253 1065012556 /nfs/dbraw/zinc/01/25/56/1065012556.db2.gz QICHHXABLIKTSK-NMLBUPMWSA-N 1 0 480.654 2.930 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001292225870 1065013240 /nfs/dbraw/zinc/01/32/40/1065013240.db2.gz QEPHBDSIUBAGEG-BHIFYINESA-N 1 0 475.659 2.564 20 0 JFADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001292226780 1065014355 /nfs/dbraw/zinc/01/43/55/1065014355.db2.gz XHOOUHXYBWGWDR-PWRODBHTSA-N 1 0 492.665 2.934 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001292226987 1065014819 /nfs/dbraw/zinc/01/48/19/1065014819.db2.gz VAJQJHSNYDJFCI-JTHBVZDNSA-N 1 0 468.646 2.966 20 0 JFADRO CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001292227230 1065015110 /nfs/dbraw/zinc/01/51/10/1065015110.db2.gz WFVIPOQRGNYHMF-ICSRJNTNSA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292243249 1065025803 /nfs/dbraw/zinc/02/58/03/1065025803.db2.gz JSLWNOFYNJCGGP-PZJWPPBQSA-N 1 0 459.664 2.861 20 0 JFADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCCC1 ZINC001292249568 1065032887 /nfs/dbraw/zinc/03/28/87/1065032887.db2.gz WVBFQKTTXHVFFI-KRWDZBQOSA-N 1 0 482.555 2.664 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCCC1 ZINC001292253771 1065035936 /nfs/dbraw/zinc/03/59/36/1065035936.db2.gz BXWPBVARRFBYTM-FQEVSTJZSA-N 1 0 458.582 2.929 20 0 JFADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292255411 1065037860 /nfs/dbraw/zinc/03/78/60/1065037860.db2.gz NHIBJNBJBXQUMI-VNTMZGSJSA-N 1 0 489.665 2.625 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292262409 1065041276 /nfs/dbraw/zinc/04/12/76/1065041276.db2.gz OBKFJKHRXUSCSH-VAMGGRTRSA-N 1 0 461.655 2.533 20 0 JFADRO CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001292265035 1065044857 /nfs/dbraw/zinc/04/48/57/1065044857.db2.gz XCBMEJSYIPHOJU-ACRUOGEOSA-N 1 0 492.665 2.837 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001292265808 1065045550 /nfs/dbraw/zinc/04/55/50/1065045550.db2.gz CZSXVXVWCWSFAN-UXHICEINSA-N 1 0 484.711 2.532 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001292265813 1065045946 /nfs/dbraw/zinc/04/59/46/1065045946.db2.gz CZSXVXVWCWSFAN-WOJBJXKFSA-N 1 0 484.711 2.532 20 0 JFADRO CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001292267915 1065047320 /nfs/dbraw/zinc/04/73/20/1065047320.db2.gz NUPNXCFUDACGJD-PMACEKPBSA-N 1 0 492.690 2.540 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292280775 1065055603 /nfs/dbraw/zinc/05/56/03/1065055603.db2.gz YRVWKLPIOPCKIF-SFTDATJTSA-N 1 0 454.619 2.881 20 0 JFADRO CCC(O)(CC)Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001292292128 1065063677 /nfs/dbraw/zinc/06/36/77/1065063677.db2.gz QUNVKNBYXXVURS-HXUWFJFHSA-N 1 0 454.619 2.662 20 0 JFADRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC001292325488 1065085990 /nfs/dbraw/zinc/08/59/90/1065085990.db2.gz VYIVXTYVYRGYMS-UHFFFAOYSA-N 1 0 451.639 2.922 20 0 JFADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001292331390 1065087822 /nfs/dbraw/zinc/08/78/22/1065087822.db2.gz XVDDPBLLLCKKSZ-IFMALSPDSA-N 1 0 457.571 2.518 20 0 JFADRO CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001292339565 1065090817 /nfs/dbraw/zinc/09/08/17/1065090817.db2.gz MLZFEPOYTXZVAT-SQJMNOBHSA-N 1 0 453.635 2.833 20 0 JFADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3[nH]ncc3I)CC2)cc1 ZINC001292347920 1065095378 /nfs/dbraw/zinc/09/53/78/1065095378.db2.gz ILMSANRHBZFQLY-UHFFFAOYSA-N 1 0 454.312 2.665 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001292352237 1065097017 /nfs/dbraw/zinc/09/70/17/1065097017.db2.gz FVKMQVMUHFEVDZ-CLOONOSVSA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001292356591 1065100874 /nfs/dbraw/zinc/10/08/74/1065100874.db2.gz RFOHNCQNOJXKLP-VWLOTQADSA-N 1 0 467.618 2.867 20 0 JFADRO O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC001292368730 1065110872 /nfs/dbraw/zinc/11/08/72/1065110872.db2.gz PTWVMLHHFJCXKS-QFIPXVFZSA-N 1 0 459.949 2.962 20 0 JFADRO CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001292378082 1065120853 /nfs/dbraw/zinc/12/08/53/1065120853.db2.gz UYWNYDSAHDVXPJ-IEBWSBKVSA-N 1 0 452.669 2.922 20 0 JFADRO CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001292393361 1065132189 /nfs/dbraw/zinc/13/21/89/1065132189.db2.gz AGRQEENGVBBEIW-QFIPXVFZSA-N 1 0 493.699 2.527 20 0 JFADRO C[C@@H](NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454322 1065176150 /nfs/dbraw/zinc/17/61/50/1065176150.db2.gz MPLFQMIXMDVIEI-FQRUVTKNSA-N 1 0 450.583 2.757 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)[NH+](C)C)cc1 ZINC001292456910 1065178316 /nfs/dbraw/zinc/17/83/16/1065178316.db2.gz HPVNICTXKJBXBY-HSZRJFAPSA-N 1 0 495.672 2.538 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC001292458451 1065182322 /nfs/dbraw/zinc/18/23/22/1065182322.db2.gz OYSVKEHNWMLQAQ-VXKWHMMOSA-N 1 0 464.618 2.855 20 0 JFADRO CCc1ccc([C@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC001292458697 1065182944 /nfs/dbraw/zinc/18/29/44/1065182944.db2.gz AOWFXKAPQWYHNS-QFIPXVFZSA-N 1 0 474.675 2.883 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292458861 1065183642 /nfs/dbraw/zinc/18/36/42/1065183642.db2.gz QPBMQBCOOVOJOP-RPWUZVMVSA-N 1 0 477.613 2.547 20 0 JFADRO CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)[NH+](C)C)cc1 ZINC001292459705 1065185423 /nfs/dbraw/zinc/18/54/23/1065185423.db2.gz FMPWDFHELBOCGB-KMDXXIMOSA-N 1 0 464.614 2.979 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459936 1065186597 /nfs/dbraw/zinc/18/65/97/1065186597.db2.gz VPTVXJFVEWQVFP-GGAORHGYSA-N 1 0 462.602 2.705 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459938 1065186627 /nfs/dbraw/zinc/18/66/27/1065186627.db2.gz VPTVXJFVEWQVFP-JTHBVZDNSA-N 1 0 462.602 2.705 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)[NH+](C)C)cc1 ZINC001292460183 1065187131 /nfs/dbraw/zinc/18/71/31/1065187131.db2.gz HIDGOXAOVVCFRX-DHIUTWEWSA-N 1 0 484.645 2.856 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463511 1065192859 /nfs/dbraw/zinc/19/28/59/1065192859.db2.gz XCSMAJXUAQGLLR-YADHBBJMSA-N 1 0 454.619 2.533 20 0 JFADRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O ZINC001292465000 1065193484 /nfs/dbraw/zinc/19/34/84/1065193484.db2.gz SJQJDLVRVPUJFE-UHFFFAOYSA-N 1 0 452.555 2.935 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC001292495258 1065213149 /nfs/dbraw/zinc/21/31/49/1065213149.db2.gz RYLJFDJOTAHDKD-FQEVSTJZSA-N 1 0 468.646 2.828 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(N(C)S(=O)(=O)CC)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001292498374 1065218522 /nfs/dbraw/zinc/21/85/22/1065218522.db2.gz IMFYYDKVJAKBIN-GOSISDBHSA-N 1 0 462.664 2.708 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001292499836 1065220231 /nfs/dbraw/zinc/22/02/31/1065220231.db2.gz ZBGQFFXKBWGWHJ-HSZRJFAPSA-N 1 0 481.689 2.884 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001292507548 1065225519 /nfs/dbraw/zinc/22/55/19/1065225519.db2.gz JZFFOCBIZDMDFZ-KDYSTLNUSA-N 1 0 482.673 2.953 20 0 JFADRO CCc1ccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[N@@H+](CC)C(C)C)cc1 ZINC001292512766 1065231076 /nfs/dbraw/zinc/23/10/76/1065231076.db2.gz URZNQVBZXIPEEW-UHFFFAOYSA-N 1 0 462.664 2.710 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001292513759 1065234541 /nfs/dbraw/zinc/23/45/41/1065234541.db2.gz MPBWFLSJKIRGHU-SFTDATJTSA-N 1 0 483.661 2.810 20 0 JFADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)cc1C ZINC001292514086 1065235496 /nfs/dbraw/zinc/23/54/96/1065235496.db2.gz DCBFHLQVZPYJIH-XZOQPEGZSA-N 1 0 457.596 2.775 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2CCC2(O)CCC2)cc1 ZINC001292514154 1065235529 /nfs/dbraw/zinc/23/55/29/1065235529.db2.gz RIBMXUDGYBKSIG-UHFFFAOYSA-N 1 0 468.646 2.803 20 0 JFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001292514509 1065235571 /nfs/dbraw/zinc/23/55/71/1065235571.db2.gz GAWLFQCWQBCEAZ-UONOGXRCSA-N 1 0 455.378 2.551 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001292518715 1065243632 /nfs/dbraw/zinc/24/36/32/1065243632.db2.gz WMBVFXRXSIBUNO-QFIPXVFZSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCC(=O)NC(C)C)cc1 ZINC001292520428 1065245282 /nfs/dbraw/zinc/24/52/82/1065245282.db2.gz IWJUFYOJRVESGK-OAQYLSRUSA-N 1 0 454.619 2.581 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292520465 1065245397 /nfs/dbraw/zinc/24/53/97/1065245397.db2.gz KFLXTPCALXDMDU-OFVILXPXSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001292524404 1065249474 /nfs/dbraw/zinc/24/94/74/1065249474.db2.gz FPRAHWMEQUNQKO-FQEVSTJZSA-N 1 0 467.618 2.568 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001292526677 1065252894 /nfs/dbraw/zinc/25/28/94/1065252894.db2.gz ZADBLEDPGRWRCE-QFIPXVFZSA-N 1 0 456.635 2.968 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001292529027 1065254712 /nfs/dbraw/zinc/25/47/12/1065254712.db2.gz SZVRJZOSGFZXPA-YKSBVNFPSA-N 1 0 468.646 2.971 20 0 JFADRO CCc1ccc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N3CC[NH+](CC)CC3)CCO2)cc1 ZINC001292536744 1065259151 /nfs/dbraw/zinc/25/91/51/1065259151.db2.gz KHSLTWUBPXSARY-XUZZJYLKSA-N 1 0 497.688 2.583 20 0 JFADRO CCc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)s1 ZINC001292547951 1065268436 /nfs/dbraw/zinc/26/84/36/1065268436.db2.gz INDASIHXSHFSDI-GOSISDBHSA-N 1 0 460.648 2.733 20 0 JFADRO CCc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC001292552462 1065270427 /nfs/dbraw/zinc/27/04/27/1065270427.db2.gz UDHCKKLNFXSUSW-SJORKVTESA-N 1 0 466.677 2.625 20 0 JFADRO CCc1cccc2c(CCn3c(C)nnc3N3CCN(C(=O)C[NH+](CC)CC)CC3)c[nH]c21 ZINC001292570350 1065281961 /nfs/dbraw/zinc/28/19/61/1065281961.db2.gz TZFMQHGZRRMYIU-UHFFFAOYSA-N 1 0 451.619 2.863 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001292579011 1065292631 /nfs/dbraw/zinc/29/26/31/1065292631.db2.gz NBKNVQPLVSTAOD-OAQYLSRUSA-N 1 0 490.656 2.537 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589414 1065305200 /nfs/dbraw/zinc/30/52/00/1065305200.db2.gz LLQZGDFGJXOWNI-OALUTQOASA-N 1 0 477.613 2.881 20 0 JFADRO CC(C)(C)OC(=O)NCC(F)(F)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC001292591445 1065308992 /nfs/dbraw/zinc/30/89/92/1065308992.db2.gz UOWSNMVNTZYQPS-MRXNPFEDSA-N 1 0 454.518 2.873 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@]1(O)CCOC1 ZINC001292601370 1065324849 /nfs/dbraw/zinc/32/48/49/1065324849.db2.gz WUXMMEUYYGYLJX-RUZDIDTESA-N 1 0 457.619 2.882 20 0 JFADRO C[NH+](C)CCn1ncc(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1-c1ccccc1 ZINC001292602323 1065326351 /nfs/dbraw/zinc/32/63/51/1065326351.db2.gz RCJVSLAQQHQZLL-UHFFFAOYSA-N 1 0 451.493 2.785 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292604431 1065328806 /nfs/dbraw/zinc/32/88/06/1065328806.db2.gz UUKIPRHTACOOGM-PMACEKPBSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292609422 1065335454 /nfs/dbraw/zinc/33/54/54/1065335454.db2.gz CEUQVDKTFAOSRO-FQEVSTJZSA-N 1 0 481.601 2.777 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001292609891 1065337425 /nfs/dbraw/zinc/33/74/25/1065337425.db2.gz IQEHBXHFODYVJT-UHFFFAOYSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCn3nc(C)nc3C2)n1CC(C)(C)C[NH+](C)C ZINC001292614819 1065345794 /nfs/dbraw/zinc/34/57/94/1065345794.db2.gz NQYTTYBINMTLGK-UHFFFAOYSA-N 1 0 452.607 2.927 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[NH+]1CCCCCC1 ZINC001292614912 1065346909 /nfs/dbraw/zinc/34/69/09/1065346909.db2.gz LLYBGHFJEDGSLX-UHFFFAOYSA-N 1 0 497.688 2.506 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001292615662 1065348579 /nfs/dbraw/zinc/34/85/79/1065348579.db2.gz QFEHVMMIXVOHEA-UHFFFAOYSA-N 1 0 477.613 2.740 20 0 JFADRO CCc1cnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001292626869 1065364445 /nfs/dbraw/zinc/36/44/45/1065364445.db2.gz UUBPVZSYPDNOEG-IBGZPJMESA-N 1 0 494.731 2.998 20 0 JFADRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 ZINC001292635972 1065374086 /nfs/dbraw/zinc/37/40/86/1065374086.db2.gz PLDZKZYYQYXOTG-MRXNPFEDSA-N 1 0 458.584 2.755 20 0 JFADRO C[NH+]1CCC(CCNC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 ZINC001292651968 1065388674 /nfs/dbraw/zinc/38/86/74/1065388674.db2.gz XMBVFWJPMRXROQ-HNNXBMFYSA-N 1 0 456.538 2.859 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCSCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001292659353 1065394436 /nfs/dbraw/zinc/39/44/36/1065394436.db2.gz DBMMFWULNALDGY-OALUTQOASA-N 1 0 457.644 2.976 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001292678508 1065417707 /nfs/dbraw/zinc/41/77/07/1065417707.db2.gz NPMUKFNBXPJDAT-GAJHUEQPSA-N 1 0 455.632 2.855 20 0 JFADRO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)o1 ZINC001292678063 1065417828 /nfs/dbraw/zinc/41/78/28/1065417828.db2.gz CBHMWGUYGTUHFO-JKSUJKDBSA-N 1 0 452.563 2.751 20 0 JFADRO CCc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)cs1 ZINC001292696602 1065447157 /nfs/dbraw/zinc/44/71/57/1065447157.db2.gz TYFKCCJGMADGEH-SFHVURJKSA-N 1 0 459.664 2.944 20 0 JFADRO CCc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cs1 ZINC001292696730 1065447186 /nfs/dbraw/zinc/44/71/86/1065447186.db2.gz ZLRLBMPBVLPHNB-OAQYLSRUSA-N 1 0 475.707 2.894 20 0 JFADRO CCc1nc(CCn2c(CC(C)C)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC001292710506 1065465784 /nfs/dbraw/zinc/46/57/84/1065465784.db2.gz DKAPVOWLADBNQS-KDURUIRLSA-N 1 0 459.639 2.990 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001292720642 1065480806 /nfs/dbraw/zinc/48/08/06/1065480806.db2.gz LHUYXQCTFMTDLF-DLBZAZTESA-N 1 0 483.708 2.664 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC[NH+](CC)CC2)cs1 ZINC001292729951 1065492628 /nfs/dbraw/zinc/49/26/28/1065492628.db2.gz ZAVDNWXSGHPQIG-GOSISDBHSA-N 1 0 480.704 2.958 20 0 JFADRO CCc1nc(Cn2c([C@H](C)OCCOC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cs1 ZINC001292737526 1065498915 /nfs/dbraw/zinc/49/89/15/1065498915.db2.gz LOANANFGMWMQKL-MSOLQXFVSA-N 1 0 478.663 2.759 20 0 JFADRO CCc1nc(CN2CCN(c3nnc(-c4cnn(C)c4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)cs1 ZINC001292756045 1065511871 /nfs/dbraw/zinc/51/18/71/1065511871.db2.gz JLMJVDZMXOWGPC-NRFANRHFSA-N 1 0 485.706 2.996 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+](C)[C@@H](C)CC)CC1 ZINC001292768666 1065523476 /nfs/dbraw/zinc/52/34/76/1065523476.db2.gz DMTAPZSCNPYBJK-RBUKOAKNSA-N 1 0 493.100 2.784 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001292773322 1065531352 /nfs/dbraw/zinc/53/13/52/1065531352.db2.gz HKSVRCXDZJILDG-UHFFFAOYSA-N 1 0 495.632 2.589 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(CC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001292774196 1065532068 /nfs/dbraw/zinc/53/20/68/1065532068.db2.gz MLNAIROPXXMZSU-RTBURBONSA-N 1 0 493.100 2.611 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001292776185 1065535432 /nfs/dbraw/zinc/53/54/32/1065535432.db2.gz NJVQUQKTOLHJRU-UHFFFAOYSA-N 1 0 483.617 2.846 20 0 JFADRO CCc1nnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC001292782473 1065542407 /nfs/dbraw/zinc/54/24/07/1065542407.db2.gz FIQKYBUPIDXKDR-UHFFFAOYSA-N 1 0 460.652 2.533 20 0 JFADRO CCc1nnc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC([NH+](CC)CC)CC2)s1 ZINC001292797981 1065558272 /nfs/dbraw/zinc/55/82/72/1065558272.db2.gz MIELBVYSPQXIDR-UHFFFAOYSA-N 1 0 457.652 2.913 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292803153 1065560885 /nfs/dbraw/zinc/56/08/85/1065560885.db2.gz UPVKPGISVHMBIY-CEXWTWQISA-N 1 0 463.648 2.941 20 0 JFADRO CCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001292813702 1065564180 /nfs/dbraw/zinc/56/41/80/1065564180.db2.gz OFFCYBBDGIMSTQ-LEWJYISDSA-N 1 0 462.589 2.907 20 0 JFADRO CCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001292813751 1065564242 /nfs/dbraw/zinc/56/42/42/1065564242.db2.gz PKCFNSHMFPXPFQ-HXUWFJFHSA-N 1 0 470.618 2.845 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001292816445 1065565700 /nfs/dbraw/zinc/56/57/00/1065565700.db2.gz MMYDNYPISQTEOD-UHFFFAOYSA-N 1 0 452.607 2.868 20 0 JFADRO CCC[NH+](CCC)CCCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl ZINC001292847670 1065574717 /nfs/dbraw/zinc/57/47/17/1065574717.db2.gz UGQNCWTXEIFIGI-UHFFFAOYSA-N 1 0 454.818 2.992 20 0 JFADRO CCc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001292850111 1065575205 /nfs/dbraw/zinc/57/52/05/1065575205.db2.gz WKDZGGCKZCANOY-GOSISDBHSA-N 1 0 473.576 2.544 20 0 JFADRO CCc1nnc(N(C)CCNS(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292862969 1065578328 /nfs/dbraw/zinc/57/83/28/1065578328.db2.gz DDQMRWXLNGKZQA-FQEVSTJZSA-N 1 0 462.664 2.684 20 0 JFADRO CCc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292863031 1065578778 /nfs/dbraw/zinc/57/87/78/1065578778.db2.gz FBLFIMSHSOIRCA-OALUTQOASA-N 1 0 452.603 2.941 20 0 JFADRO CCc1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292863030 1065578791 /nfs/dbraw/zinc/57/87/91/1065578791.db2.gz FBLFIMSHSOIRCA-KDURUIRLSA-N 1 0 452.603 2.941 20 0 JFADRO CCc1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292907492 1065599088 /nfs/dbraw/zinc/59/90/88/1065599088.db2.gz SQGFJBVPIZXAQB-NNWRFLSQSA-N 1 0 454.619 2.750 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909396 1065599567 /nfs/dbraw/zinc/59/95/67/1065599567.db2.gz VNWSDFWJYVRKNC-QUCCMNQESA-N 1 0 450.539 2.849 20 0 JFADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001292911542 1065601531 /nfs/dbraw/zinc/60/15/31/1065601531.db2.gz GCUQEUVMFSLHPC-QGZVFWFLSA-N 1 0 461.632 2.739 20 0 JFADRO CCc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292918440 1065605083 /nfs/dbraw/zinc/60/50/83/1065605083.db2.gz HENMWAKTTVXJJU-UHFFFAOYSA-N 1 0 454.619 2.673 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1ccc(OC)c(F)c1 ZINC001292925088 1065618374 /nfs/dbraw/zinc/61/83/74/1065618374.db2.gz SLLWMALKDYJPKX-UHFFFAOYSA-N 1 0 472.609 2.855 20 0 JFADRO CCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292929705 1065619815 /nfs/dbraw/zinc/61/98/15/1065619815.db2.gz NOJJZAQKTCBBAQ-OAQYLSRUSA-N 1 0 460.589 2.644 20 0 JFADRO CCc1nnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292934160 1065623928 /nfs/dbraw/zinc/62/39/28/1065623928.db2.gz LFXNSINSMLCXHK-DEOSSOPVSA-N 1 0 458.626 2.957 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292950825 1065630744 /nfs/dbraw/zinc/63/07/44/1065630744.db2.gz DFAOGEWWBQBGMP-QFIPXVFZSA-N 1 0 473.710 2.732 20 0 JFADRO CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001292952867 1065632851 /nfs/dbraw/zinc/63/28/51/1065632851.db2.gz MUXGEXUWTSFTCG-UHFFFAOYSA-N 1 0 489.686 2.762 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001292953031 1065633924 /nfs/dbraw/zinc/63/39/24/1065633924.db2.gz ZBLANDBHECSANI-QFIPXVFZSA-N 1 0 473.710 2.876 20 0 JFADRO C[NH+](C)CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CCCC1 ZINC001292957334 1065634513 /nfs/dbraw/zinc/63/45/13/1065634513.db2.gz GIUVUGDGLZGUGX-GOSISDBHSA-N 1 0 458.024 2.744 20 0 JFADRO CC[NH+]1CCN(C[C@H](C)CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC001292959004 1065637134 /nfs/dbraw/zinc/63/71/34/1065637134.db2.gz OYYRNIRAGXJFRY-CRYYWNKWSA-N 1 0 458.466 2.727 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001292961021 1065640494 /nfs/dbraw/zinc/64/04/94/1065640494.db2.gz QGBFKJVYNNXJJG-GOSISDBHSA-N 1 0 450.628 2.645 20 0 JFADRO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001292961558 1065642963 /nfs/dbraw/zinc/64/29/63/1065642963.db2.gz GVHDXNPFCNDWLN-HXUWFJFHSA-N 1 0 470.666 2.733 20 0 JFADRO COc1ccc(C(=O)N[C@@H](C(=O)NCC2CC[NH+](CCN(C)C)CC2)c2ccccc2)cc1 ZINC001292967654 1065646647 /nfs/dbraw/zinc/64/66/47/1065646647.db2.gz ZTGWUWJTYDXIFZ-XMMPIXPASA-N 1 0 452.599 2.556 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001292969917 1065649516 /nfs/dbraw/zinc/64/95/16/1065649516.db2.gz BRZRJUGNGNZQRH-NRFANRHFSA-N 1 0 462.664 2.784 20 0 JFADRO CCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001292979112 1065660404 /nfs/dbraw/zinc/66/04/04/1065660404.db2.gz LNXUIEDFXAJMMV-IBGZPJMESA-N 1 0 458.573 2.948 20 0 JFADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001292979519 1065661442 /nfs/dbraw/zinc/66/14/42/1065661442.db2.gz WOZNKRCMBCHPLF-UHFFFAOYSA-N 1 0 499.651 2.995 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccccc2CSc2nc[nH]n2)CC1 ZINC001292985820 1065670340 /nfs/dbraw/zinc/67/03/40/1065670340.db2.gz HXQDEKAOKVLHDS-UHFFFAOYSA-N 1 0 456.616 2.551 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292987738 1065673864 /nfs/dbraw/zinc/67/38/64/1065673864.db2.gz SCFQAAKQMBXJQN-TZIWHRDSSA-N 1 0 474.675 2.659 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292987737 1065673917 /nfs/dbraw/zinc/67/39/17/1065673917.db2.gz SCFQAAKQMBXJQN-PZJWPPBQSA-N 1 0 474.675 2.659 20 0 JFADRO C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC001292992456 1065679965 /nfs/dbraw/zinc/67/99/65/1065679965.db2.gz ALBBYQMUWXOCFY-LJQANCHMSA-N 1 0 452.393 2.623 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC001292992556 1065679979 /nfs/dbraw/zinc/67/99/79/1065679979.db2.gz FLYMMMDACUTBGK-HSZRJFAPSA-N 1 0 456.631 2.573 20 0 JFADRO C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Br)cc2)CC1 ZINC001292992455 1065680102 /nfs/dbraw/zinc/68/01/02/1065680102.db2.gz ALBBYQMUWXOCFY-IBGZPJMESA-N 1 0 452.393 2.623 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC001292993136 1065680932 /nfs/dbraw/zinc/68/09/32/1065680932.db2.gz LDRJYKAOGNUKMI-JOCHJYFZSA-N 1 0 457.537 3.000 20 0 JFADRO CCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001292998508 1065684970 /nfs/dbraw/zinc/68/49/70/1065684970.db2.gz DOOXXCQBTCAXAN-UHFFFAOYSA-N 1 0 455.694 2.606 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293026358 1065698355 /nfs/dbraw/zinc/69/83/55/1065698355.db2.gz BAZQBFSHRWWVFV-PMACEKPBSA-N 1 0 464.655 2.892 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293026319 1065698401 /nfs/dbraw/zinc/69/84/01/1065698401.db2.gz AFYMRDYGIVCSEC-FPOVZHCZSA-N 1 0 462.664 2.560 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293026361 1065698851 /nfs/dbraw/zinc/69/88/51/1065698851.db2.gz BAZQBFSHRWWVFV-WOJBJXKFSA-N 1 0 464.655 2.892 20 0 JFADRO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293035554 1065704129 /nfs/dbraw/zinc/70/41/29/1065704129.db2.gz NSAGEKOXFWGMCN-VQTJNVASSA-N 1 0 491.681 2.619 20 0 JFADRO CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293036146 1065705661 /nfs/dbraw/zinc/70/56/61/1065705661.db2.gz HFEMBDXPHAUICK-UNMCSNQZSA-N 1 0 464.618 2.849 20 0 JFADRO CCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001293047236 1065710575 /nfs/dbraw/zinc/71/05/75/1065710575.db2.gz JDTCYCUMEWLUCE-SFHVURJKSA-N 1 0 455.694 2.606 20 0 JFADRO CCc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293048411 1065711890 /nfs/dbraw/zinc/71/18/90/1065711890.db2.gz SGLORXCFJLNSEU-CTNGQTDRSA-N 1 0 466.696 2.936 20 0 JFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F ZINC001293063666 1065716710 /nfs/dbraw/zinc/71/67/10/1065716710.db2.gz ILSPVMMKQHMIDJ-HNNXBMFYSA-N 1 0 456.538 2.811 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293063281 1065716722 /nfs/dbraw/zinc/71/67/22/1065716722.db2.gz ZZLNPJKPQGURGN-IBGZPJMESA-N 1 0 460.648 2.755 20 0 JFADRO C[N@H+](CCN1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1)Cc1ccccc1 ZINC001293065599 1065717239 /nfs/dbraw/zinc/71/72/39/1065717239.db2.gz CLPJPSXOWKKOQE-QHCPKHFHSA-N 1 0 455.002 2.969 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293067447 1065718933 /nfs/dbraw/zinc/71/89/33/1065718933.db2.gz ABTUCTUKLJWENJ-UHFFFAOYSA-N 1 0 495.716 2.786 20 0 JFADRO C[N@H+](CCN1CCN(C(=O)c2cnn3cccc(Br)c23)CC1)Cc1ccccc1 ZINC001293072846 1065725775 /nfs/dbraw/zinc/72/57/75/1065725775.db2.gz NVKSLHINEAZEMY-UHFFFAOYSA-N 1 0 456.388 2.987 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293078746 1065728755 /nfs/dbraw/zinc/72/87/55/1065728755.db2.gz ZAPXIEJRFSGIRW-RBBKRZOGSA-N 1 0 468.646 2.966 20 0 JFADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293084984 1065735247 /nfs/dbraw/zinc/73/52/47/1065735247.db2.gz AAAXUSAHHGYBIJ-NHCUHLMSSA-N 1 0 460.667 2.959 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001293086029 1065736041 /nfs/dbraw/zinc/73/60/41/1065736041.db2.gz KHMBYMNYTFTSGP-UHFFFAOYSA-N 1 0 464.561 2.789 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cccc(OCC(C)C)c1 ZINC001293086484 1065736368 /nfs/dbraw/zinc/73/63/68/1065736368.db2.gz OHZBBWONFOLMKG-UHFFFAOYSA-N 1 0 454.619 2.668 20 0 JFADRO CCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001293087122 1065736951 /nfs/dbraw/zinc/73/69/51/1065736951.db2.gz SISDXESKBCUQBR-UHFFFAOYSA-N 1 0 471.650 2.849 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1C ZINC001293087811 1065737387 /nfs/dbraw/zinc/73/73/87/1065737387.db2.gz ZUKQIVNKVPQNFQ-UHFFFAOYSA-N 1 0 464.536 2.960 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001293092935 1065740745 /nfs/dbraw/zinc/74/07/45/1065740745.db2.gz DIUUHLWFHJOMOJ-QFIPXVFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001293093081 1065741334 /nfs/dbraw/zinc/74/13/34/1065741334.db2.gz QDJGHLODNWFOAQ-URXFXBBRSA-N 1 0 467.662 2.701 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001293094394 1065743830 /nfs/dbraw/zinc/74/38/30/1065743830.db2.gz NSFUMFYNQDPSNY-LEWJYISDSA-N 1 0 459.683 2.674 20 0 JFADRO COc1ccc(Br)cc1-c1nc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC001293094873 1065744538 /nfs/dbraw/zinc/74/45/38/1065744538.db2.gz WRCBWYXPRMPPBA-ZDUSSCGKSA-N 1 0 453.406 2.947 20 0 JFADRO CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293097222 1065747476 /nfs/dbraw/zinc/74/74/76/1065747476.db2.gz BKVTUWPUOVEGBK-IBGZPJMESA-N 1 0 461.605 2.719 20 0 JFADRO CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001293104797 1065752351 /nfs/dbraw/zinc/75/23/51/1065752351.db2.gz SSFIMQHPXPKNDR-LJQANCHMSA-N 1 0 456.620 2.572 20 0 JFADRO Cc1cc(N2C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)CC2=O)ccc1Br ZINC001293106450 1065753602 /nfs/dbraw/zinc/75/36/02/1065753602.db2.gz CJRYEOSGUBRTSW-FUHWJXTLSA-N 1 0 452.393 2.680 20 0 JFADRO Cc1cc(N2C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)CC2=O)ccc1Br ZINC001293106452 1065753714 /nfs/dbraw/zinc/75/37/14/1065753714.db2.gz CJRYEOSGUBRTSW-WMZOPIPTSA-N 1 0 452.393 2.680 20 0 JFADRO CCc1nnc(N2CCN(c3nc(C)cs3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001293108325 1065754569 /nfs/dbraw/zinc/75/45/69/1065754569.db2.gz HYHLHHRTKUTYCJ-UHFFFAOYSA-N 1 0 455.632 2.921 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293115959 1065761987 /nfs/dbraw/zinc/76/19/87/1065761987.db2.gz IHQBRHNNZNGNTA-ZRBLBEILSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001293116488 1065763480 /nfs/dbraw/zinc/76/34/80/1065763480.db2.gz MKQFQMUMYLVMQT-MSOLQXFVSA-N 1 0 450.628 2.785 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293118787 1065766395 /nfs/dbraw/zinc/76/63/95/1065766395.db2.gz DTWIEBCNZJEJNL-PKTZIBPZSA-N 1 0 481.689 2.884 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001293121003 1065770149 /nfs/dbraw/zinc/77/01/49/1065770149.db2.gz VQXGVSZJGKGDIZ-RBZQAINGSA-N 1 0 487.737 2.979 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001293120810 1065770214 /nfs/dbraw/zinc/77/02/14/1065770214.db2.gz UUENLQUXOTUKFU-UHFFFAOYSA-N 1 0 459.683 2.630 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001293120967 1065770299 /nfs/dbraw/zinc/77/02/99/1065770299.db2.gz JXOYOBRRLDYAAE-LZBANZJXSA-N 1 0 459.683 2.532 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293121732 1065774146 /nfs/dbraw/zinc/77/41/46/1065774146.db2.gz VVUIJVJMFVVKHR-JOCHJYFZSA-N 1 0 481.689 2.932 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001293121884 1065774443 /nfs/dbraw/zinc/77/44/43/1065774443.db2.gz XEAFDCYXIKLYEW-QHCPKHFHSA-N 1 0 467.662 2.543 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@@H+](C)[C@H](C)CC ZINC001293121949 1065774752 /nfs/dbraw/zinc/77/47/52/1065774752.db2.gz ZYXISUJNSQAWKT-HXUWFJFHSA-N 1 0 455.651 2.948 20 0 JFADRO CCc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001293129349 1065779894 /nfs/dbraw/zinc/77/98/94/1065779894.db2.gz WHPNJMSVQGEJDK-UHFFFAOYSA-N 1 0 488.750 2.944 20 0 JFADRO CCc1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1CCC[NH+](CC)CC ZINC001293129597 1065779931 /nfs/dbraw/zinc/77/99/31/1065779931.db2.gz ATUITVRJKSWDCJ-UHFFFAOYSA-N 1 0 452.607 2.543 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001293129965 1065780440 /nfs/dbraw/zinc/78/04/40/1065780440.db2.gz CROFBXMZBZEPBH-CJFMBICVSA-N 1 0 491.080 2.633 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(OC)c(OC)c1OC ZINC001293130827 1065782259 /nfs/dbraw/zinc/78/22/59/1065782259.db2.gz KFMCBRYEJVGNAW-PMACEKPBSA-N 1 0 486.661 2.909 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001293132384 1065785005 /nfs/dbraw/zinc/78/50/05/1065785005.db2.gz VZMOOWKFZGNSJT-FCHUYYIVSA-N 1 0 486.661 2.548 20 0 JFADRO CCc1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001293135704 1065786448 /nfs/dbraw/zinc/78/64/48/1065786448.db2.gz GXAMRQSSUXJLHA-QFIPXVFZSA-N 1 0 454.619 2.558 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001293138327 1065788480 /nfs/dbraw/zinc/78/84/80/1065788480.db2.gz HGFRNXFCPRWCEA-UHFFFAOYSA-N 1 0 480.654 2.999 20 0 JFADRO CCc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001293157146 1065796032 /nfs/dbraw/zinc/79/60/32/1065796032.db2.gz TUAORYYTTVBNIG-HXUWFJFHSA-N 1 0 469.590 2.914 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293173466 1065801016 /nfs/dbraw/zinc/80/10/16/1065801016.db2.gz LOJFPGVKKIPEKO-KURKYZTESA-N 1 0 450.628 2.832 20 0 JFADRO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293178316 1065802692 /nfs/dbraw/zinc/80/26/92/1065802692.db2.gz SLPYZNJZVMGQFU-XUVXKRRUSA-N 1 0 492.665 2.711 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC001293182059 1065803908 /nfs/dbraw/zinc/80/39/08/1065803908.db2.gz CYNVSNOXNZCVOF-MOHJPFBDSA-N 1 0 455.562 2.921 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)c2ccc(I)cc2O)CC1 ZINC001293182938 1065804644 /nfs/dbraw/zinc/80/46/44/1065804644.db2.gz MJVFXEKXAVCLEU-UHFFFAOYSA-N 1 0 451.308 2.679 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001293184772 1065808218 /nfs/dbraw/zinc/80/82/18/1065808218.db2.gz KDKXPLJXAVALFD-UXHICEINSA-N 1 0 488.681 2.905 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185515 1065810426 /nfs/dbraw/zinc/81/04/26/1065810426.db2.gz SWMNSQDTVMCUAL-RBUKOAKNSA-N 1 0 452.607 2.936 20 0 JFADRO CCc1noc(C)c1Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001293185918 1065810731 /nfs/dbraw/zinc/81/07/31/1065810731.db2.gz CZWIXGXOYKIPJI-UHFFFAOYSA-N 1 0 457.623 2.979 20 0 JFADRO CCc1noc(C)c1Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293199387 1065827728 /nfs/dbraw/zinc/82/77/28/1065827728.db2.gz KFFHZYKWBISZDH-UHFFFAOYSA-N 1 0 497.619 2.906 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc3cncc(Br)c3n2)cc1 ZINC001293203823 1065831615 /nfs/dbraw/zinc/83/16/15/1065831615.db2.gz RPNZVJRRPRPFBS-UHFFFAOYSA-N 1 0 456.344 2.614 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc(CC)n3Cc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC001293209027 1065841960 /nfs/dbraw/zinc/84/19/60/1065841960.db2.gz VKZINNQOWOEYDI-UHFFFAOYSA-N 1 0 484.674 2.960 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(CC)n3C[C@H](c3cccc(OC)c3)[NH+](C)C)CC2)n1 ZINC001293209451 1065844968 /nfs/dbraw/zinc/84/49/68/1065844968.db2.gz ZCXMLEFUCDBLNW-LJQANCHMSA-N 1 0 470.647 2.893 20 0 JFADRO C[NH+]1CCC(N2CC[C@@H](NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210952 1065846559 /nfs/dbraw/zinc/84/65/59/1065846559.db2.gz KNJWXTFHJCAZSH-XGCWNURASA-N 1 0 456.450 2.622 20 0 JFADRO C[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214190 1065846992 /nfs/dbraw/zinc/84/69/92/1065846992.db2.gz FALLMMDWHCPLDD-XLIONFOSSA-N 1 0 458.603 2.503 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293216507 1065855322 /nfs/dbraw/zinc/85/53/22/1065855322.db2.gz ILEABCBMLADIET-QZTJIDSGSA-N 1 0 462.668 2.846 20 0 JFADRO 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CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001293221102 1065874092 /nfs/dbraw/zinc/87/40/92/1065874092.db2.gz WSPVODZZOQHUCP-APWZRJJASA-N 1 0 462.545 2.993 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCC1 ZINC001293221138 1065874547 /nfs/dbraw/zinc/87/45/47/1065874547.db2.gz XSUZUPOIZDQGRO-INIZCTEOSA-N 1 0 464.412 2.625 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293221354 1065875446 /nfs/dbraw/zinc/87/54/46/1065875446.db2.gz YKJWSSWMWWSNNJ-YJBOKZPZSA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293227425 1065880367 /nfs/dbraw/zinc/88/03/67/1065880367.db2.gz GPHPMCUJSMSDHO-UYAOXDASSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293227191 1065880371 /nfs/dbraw/zinc/88/03/71/1065880371.db2.gz GPHPMCUJSMSDHO-ICSRJNTNSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001293240118 1065896932 /nfs/dbraw/zinc/89/69/32/1065896932.db2.gz WUDTUWDMOBUOOS-IFMALSPDSA-N 1 0 468.646 2.960 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293241688 1065901323 /nfs/dbraw/zinc/90/13/23/1065901323.db2.gz DSGKQEJVMPJSTM-GMAHTHKFSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293243139 1065905387 /nfs/dbraw/zinc/90/53/87/1065905387.db2.gz VHCWVLBSUDRSIK-NZQKXSOJSA-N 1 0 468.646 2.909 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293243141 1065905397 /nfs/dbraw/zinc/90/53/97/1065905397.db2.gz VHCWVLBSUDRSIK-OFNKIYASSA-N 1 0 468.646 2.909 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001293245100 1065909483 /nfs/dbraw/zinc/90/94/83/1065909483.db2.gz FGTDXPOOTYZNDK-CEXWTWQISA-N 1 0 478.707 2.739 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293247801 1065912545 /nfs/dbraw/zinc/91/25/45/1065912545.db2.gz QDRATPSGERHNMM-UYAOXDASSA-N 1 0 458.582 2.976 20 0 JFADRO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293254540 1065918395 /nfs/dbraw/zinc/91/83/95/1065918395.db2.gz ZCGDQCUDSNIEND-MOPGFXCFSA-N 1 0 454.623 2.576 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001293260035 1065923344 /nfs/dbraw/zinc/92/33/44/1065923344.db2.gz VYRMFXSHDVDKJS-HCXYKTFWSA-N 1 0 464.636 2.943 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001293260698 1065923826 /nfs/dbraw/zinc/92/38/26/1065923826.db2.gz ZQUBBMRYYGAZOK-FUMNGEBKSA-N 1 0 454.685 2.881 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001293260699 1065923900 /nfs/dbraw/zinc/92/39/00/1065923900.db2.gz ZQUBBMRYYGAZOK-IYWMVGAKSA-N 1 0 454.685 2.881 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(I)nn1C ZINC001293285921 1065933909 /nfs/dbraw/zinc/93/39/09/1065933909.db2.gz WNLUGNNIBITNOO-OAHLLOKOSA-N 1 0 453.328 2.546 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCCC1 ZINC001293301277 1065941693 /nfs/dbraw/zinc/94/16/93/1065941693.db2.gz KAMOBIORWFLQRE-AZUAARDMSA-N 1 0 460.648 2.916 20 0 JFADRO CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293301258 1065941700 /nfs/dbraw/zinc/94/17/00/1065941700.db2.gz JNYVZFUHCZBNTR-FPOVZHCZSA-N 1 0 488.702 2.999 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCCC1 ZINC001293301280 1065942053 /nfs/dbraw/zinc/94/20/53/1065942053.db2.gz KAMOBIORWFLQRE-UYAOXDASSA-N 1 0 460.648 2.916 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001293320386 1065947490 /nfs/dbraw/zinc/94/74/90/1065947490.db2.gz HTQUSKTXINQCDA-UWHLTILDSA-N 1 0 496.722 2.746 20 0 JFADRO CC[C@H]1CC2(CCC2)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](CC)CC ZINC001293336814 1065954349 /nfs/dbraw/zinc/95/43/49/1065954349.db2.gz RQOUWHNUDYXSEK-AABGKKOBSA-N 1 0 482.695 2.500 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+](CC)CC ZINC001293336815 1065954380 /nfs/dbraw/zinc/95/43/80/1065954380.db2.gz RQOUWHNUDYXSEK-AQNXPRMDSA-N 1 0 482.695 2.500 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001293357828 1065963079 /nfs/dbraw/zinc/96/30/79/1065963079.db2.gz BEYHRWVTZJEBPK-LEWJYISDSA-N 1 0 496.660 2.931 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293362532 1065966415 /nfs/dbraw/zinc/96/64/15/1065966415.db2.gz DRXTWSNKXMMLMT-WOJBJXKFSA-N 1 0 478.663 2.877 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 ZINC001293363639 1065967367 /nfs/dbraw/zinc/96/73/67/1065967367.db2.gz JNBLRWBPJXEIGB-MRXNPFEDSA-N 1 0 485.452 2.535 20 0 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CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001293636739 1066154304 /nfs/dbraw/zinc/15/43/04/1066154304.db2.gz WDKMDOVZUXPUIN-NRFANRHFSA-N 1 0 485.608 2.883 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001293637389 1066155165 /nfs/dbraw/zinc/15/51/65/1066155165.db2.gz FPWQQESQMCYSFY-XJUOHMSHSA-N 1 0 456.635 2.663 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C)c2)CC[N@@H+]1CCOC ZINC001293650942 1066163475 /nfs/dbraw/zinc/16/34/75/1066163475.db2.gz BJEQXDDQXLAYDU-VABKMULXSA-N 1 0 457.619 2.906 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(F)(F)Br)CC[N@@H+]1CCOC ZINC001293653288 1066165752 /nfs/dbraw/zinc/16/57/52/1066165752.db2.gz NTDKQWXALFHBHX-JYJNAYRXSA-N 1 0 496.397 2.537 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CC[N@@H+]1CCOC ZINC001293653940 1066166723 /nfs/dbraw/zinc/16/67/23/1066166723.db2.gz REGGCDGUFJMOCD-DLBZAZTESA-N 1 0 483.539 2.728 20 0 JFADRO CC/C=C/Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001293673208 1066171940 /nfs/dbraw/zinc/17/19/40/1066171940.db2.gz CWSVPDRUOMBACK-SNAWJCMRSA-N 1 0 473.643 2.863 20 0 JFADRO CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC001293681847 1066173520 /nfs/dbraw/zinc/17/35/20/1066173520.db2.gz FMIIIICSFJECRU-INIZCTEOSA-N 1 0 458.024 2.600 20 0 JFADRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001293682885 1066173690 /nfs/dbraw/zinc/17/36/90/1066173690.db2.gz UJKNZMIJVKTSAK-MSOLQXFVSA-N 1 0 453.505 2.671 20 0 JFADRO Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC2)c(C)c1 ZINC001293688632 1066174425 /nfs/dbraw/zinc/17/44/25/1066174425.db2.gz GLBOOULRLAJVOC-IRLDBZIGSA-N 1 0 459.656 2.959 20 0 JFADRO CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001293706143 1066179512 /nfs/dbraw/zinc/17/95/12/1066179512.db2.gz AHKWGXLEQQFFOF-UHFFFAOYSA-N 1 0 457.596 2.696 20 0 JFADRO CC/C=C\Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293712438 1066180208 /nfs/dbraw/zinc/18/02/08/1066180208.db2.gz RBPLQUWBAWRZNE-HUCIYCNJSA-N 1 0 452.603 2.587 20 0 JFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC001293715640 1066180662 /nfs/dbraw/zinc/18/06/62/1066180662.db2.gz GWCKZYUDSUDOJY-QGZVFWFLSA-N 1 0 459.344 2.601 20 0 JFADRO CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293717376 1066180807 /nfs/dbraw/zinc/18/08/07/1066180807.db2.gz JNSCRERMVXDZHH-AWUSRGSFSA-N 1 0 466.630 2.781 20 0 JFADRO CC/C=C/Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001293718918 1066181250 /nfs/dbraw/zinc/18/12/50/1066181250.db2.gz QKUBFUDLCTUWGP-WEVVVXLNSA-N 1 0 479.673 2.914 20 0 JFADRO CC/C=C\Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001293718917 1066181266 /nfs/dbraw/zinc/18/12/66/1066181266.db2.gz QKUBFUDLCTUWGP-UITAMQMPSA-N 1 0 479.673 2.914 20 0 JFADRO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1N1CCCS1(=O)=O ZINC001293733699 1066191793 /nfs/dbraw/zinc/19/17/93/1066191793.db2.gz FAPRXHKDRWDHPU-UHFFFAOYSA-N 1 0 457.596 2.992 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001293746020 1066215709 /nfs/dbraw/zinc/21/57/09/1066215709.db2.gz XRBHZOSIQJVHGP-PXDATVDWSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001293747795 1066217634 /nfs/dbraw/zinc/21/76/34/1066217634.db2.gz CSYVPUVDJAAUAN-AZUAARDMSA-N 1 0 468.631 2.985 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCSCC2)C1 ZINC001293750225 1066224177 /nfs/dbraw/zinc/22/41/77/1066224177.db2.gz XSGRPCAKUJMHMI-LJQANCHMSA-N 1 0 457.648 2.582 20 0 JFADRO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001293750965 1066226166 /nfs/dbraw/zinc/22/61/66/1066226166.db2.gz RAHKUDXALJMNAJ-NRFANRHFSA-N 1 0 451.571 2.540 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001293773046 1066262394 /nfs/dbraw/zinc/26/23/94/1066262394.db2.gz FHZRMUYUOFZVET-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001293774068 1066264818 /nfs/dbraw/zinc/26/48/18/1066264818.db2.gz HSTRHSYFGZLVDW-QHCPKHFHSA-N 1 0 483.661 2.890 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(CC3CCCC3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001293774263 1066265244 /nfs/dbraw/zinc/26/52/44/1066265244.db2.gz MJSLJOZKWORLQB-UHFFFAOYSA-N 1 0 460.667 2.743 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001293789334 1066297497 /nfs/dbraw/zinc/29/74/97/1066297497.db2.gz OPFSLLPPYXEKTF-LEWJYISDSA-N 1 0 497.692 2.535 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001293805215 1066314791 /nfs/dbraw/zinc/31/47/91/1066314791.db2.gz JGZCLJGRFDHPFS-XMMPIXPASA-N 1 0 475.659 2.964 20 0 JFADRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)CC[N@@H+]1C ZINC001293806267 1066315799 /nfs/dbraw/zinc/31/57/99/1066315799.db2.gz JUWBZIPNRCFOLS-PBHICJAKSA-N 1 0 457.556 2.624 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001293814644 1066322596 /nfs/dbraw/zinc/32/25/96/1066322596.db2.gz WEIWTQJXXXALMA-RUZDIDTESA-N 1 0 455.651 2.886 20 0 JFADRO CCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293835087 1066339970 /nfs/dbraw/zinc/33/99/70/1066339970.db2.gz KXAOJVILEAJDPY-AJTFRIOCSA-N 1 0 498.672 2.768 20 0 JFADRO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001293845239 1066347958 /nfs/dbraw/zinc/34/79/58/1066347958.db2.gz KTFRXLGZNUCMDN-UHFFFAOYSA-N 1 0 454.477 2.784 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001293853719 1066360308 /nfs/dbraw/zinc/36/03/08/1066360308.db2.gz WJVRREYYCOJUCD-IBGZPJMESA-N 1 0 482.633 2.845 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001293856703 1066364293 /nfs/dbraw/zinc/36/42/93/1066364293.db2.gz OEDLKYFNXNFOEN-JOCHJYFZSA-N 1 0 496.704 2.887 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001293857191 1066364528 /nfs/dbraw/zinc/36/45/28/1066364528.db2.gz RNZQQMRMIACOLP-IBGZPJMESA-N 1 0 454.623 2.742 20 0 JFADRO COc1c(C(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)cnn1-c1ccccc1 ZINC001293859275 1066367450 /nfs/dbraw/zinc/36/74/50/1066367450.db2.gz ANTOFLHGVSWFEX-UHFFFAOYSA-N 1 0 453.587 2.676 20 0 JFADRO CC[C@@H](C(=O)N1CCC(CC(=O)N2CCC([NH+](C)C)CC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001293862002 1066371249 /nfs/dbraw/zinc/37/12/49/1066371249.db2.gz WKCAVOQEKVNNRK-FQEVSTJZSA-N 1 0 452.640 2.813 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001293862995 1066373237 /nfs/dbraw/zinc/37/32/37/1066373237.db2.gz YOYYDHJRSCDXIC-NHCUHLMSSA-N 1 0 462.683 2.968 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001293866129 1066376432 /nfs/dbraw/zinc/37/64/32/1066376432.db2.gz XBEIRFCXDUVNJS-ONTIZHBOSA-N 1 0 476.666 2.762 20 0 JFADRO CCC[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293911597 1066397880 /nfs/dbraw/zinc/39/78/80/1066397880.db2.gz UQBJCAWXPFJQJQ-IBGZPJMESA-N 1 0 490.722 2.889 20 0 JFADRO Cc1ccc(NC(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)c(OCC[NH+](C)C)c1 ZINC001293912472 1066398464 /nfs/dbraw/zinc/39/84/64/1066398464.db2.gz QOCAXPCIWMCOFA-OAHLLOKOSA-N 1 0 454.980 2.679 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCC2)C1 ZINC001293930736 1066409388 /nfs/dbraw/zinc/40/93/88/1066409388.db2.gz DSZZQDBLCWMCLD-LEWJYISDSA-N 1 0 473.666 2.521 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001293937446 1066421637 /nfs/dbraw/zinc/42/16/37/1066421637.db2.gz PCIGTBPFSUDPRP-IPMKNSEASA-N 1 0 454.623 2.739 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCCCCC2)C1 ZINC001293945398 1066436997 /nfs/dbraw/zinc/43/69/97/1066436997.db2.gz LULXSAGZXUHINZ-YADHBBJMSA-N 1 0 487.693 2.798 20 0 JFADRO CCC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001293960008 1066458600 /nfs/dbraw/zinc/45/86/00/1066458600.db2.gz APJDEZLCYQORFU-FCHUYYIVSA-N 1 0 470.618 2.512 20 0 JFADRO CN1C(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001293981689 1066485135 /nfs/dbraw/zinc/48/51/35/1066485135.db2.gz GIOXRGWBGUEQDN-JKFKMHIGSA-N 1 0 459.949 2.752 20 0 JFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001293982760 1066487789 /nfs/dbraw/zinc/48/77/89/1066487789.db2.gz WCNALDZKLFTSEW-HTCWZNLXSA-N 1 0 456.546 2.606 20 0 JFADRO C[NH+]1CCC(O)(CNC(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)CC1 ZINC001293986179 1066491050 /nfs/dbraw/zinc/49/10/50/1066491050.db2.gz DESUISPKZKRYBN-UHFFFAOYSA-N 1 0 455.559 2.738 20 0 JFADRO Cc1c(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)nnn1Cc1ccc(F)cc1F ZINC001293999957 1066501885 /nfs/dbraw/zinc/50/18/85/1066501885.db2.gz OPLJZVPXRVJFNL-UHFFFAOYSA-N 1 0 455.509 2.800 20 0 JFADRO CCCC(O)(CCC)Cn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001294006316 1066504601 /nfs/dbraw/zinc/50/46/01/1066504601.db2.gz MMELSDBIZDUKQJ-NRFANRHFSA-N 1 0 459.639 2.559 20 0 JFADRO CCCc1nc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)o1 ZINC001294043796 1066520666 /nfs/dbraw/zinc/52/06/66/1066520666.db2.gz WJIQVDDLYMCGLT-LJQANCHMSA-N 1 0 456.595 2.523 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001294054440 1066526340 /nfs/dbraw/zinc/52/63/40/1066526340.db2.gz GVUNJLNBMMDNHI-PGRDOPGGSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001294054645 1066526658 /nfs/dbraw/zinc/52/66/58/1066526658.db2.gz LFYPSMZSXNDBPQ-GCJKJVERSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC001294054616 1066526727 /nfs/dbraw/zinc/52/67/27/1066526727.db2.gz KLCFWJCOHRAOTA-GMAHTHKFSA-N 1 0 483.661 2.632 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC[N@@H+]1CCOC ZINC001294054987 1066528342 /nfs/dbraw/zinc/52/83/42/1066528342.db2.gz REMXWHQGHIMXCQ-DNRQZRRGSA-N 1 0 476.666 2.799 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@](C)(CC)O2)CC[N@@H+]1CCOC ZINC001294054988 1066528417 /nfs/dbraw/zinc/52/84/17/1066528417.db2.gz REMXWHQGHIMXCQ-OTPAQWSUSA-N 1 0 476.666 2.799 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)CC[N@@H+]1CCOC ZINC001294058582 1066531211 /nfs/dbraw/zinc/53/12/11/1066531211.db2.gz SCWOPYQNHYTEHM-BHDDXSALSA-N 1 0 496.722 2.543 20 0 JFADRO CCC[C@H]1CN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CC[N@@H+]1CCOC ZINC001294062110 1066534121 /nfs/dbraw/zinc/53/41/21/1066534121.db2.gz UJKNDZPBQNABBU-NRFANRHFSA-N 1 0 458.607 2.525 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC[N@@H+]1CCOC ZINC001294072595 1066541620 /nfs/dbraw/zinc/54/16/20/1066541620.db2.gz HCUUYLNZYMLARA-YADARESESA-N 1 0 454.575 2.778 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CC[N@@H+]1CCOC ZINC001294074548 1066543732 /nfs/dbraw/zinc/54/37/32/1066543732.db2.gz SJFSOTMUUYWXQE-NRFANRHFSA-N 1 0 469.634 2.726 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294074581 1066543771 /nfs/dbraw/zinc/54/37/71/1066543771.db2.gz TZDFAYXOLVONJK-DVECYGJZSA-N 1 0 461.582 2.827 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2scnc2C)CC[N@@H+]1CCOC ZINC001294077392 1066546454 /nfs/dbraw/zinc/54/64/54/1066546454.db2.gz OKLCAWACZCXYDB-SFHVURJKSA-N 1 0 456.620 2.680 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001294077878 1066547264 /nfs/dbraw/zinc/54/72/64/1066547264.db2.gz TVMXGLCEBIBGAT-DENIHFKCSA-N 1 0 465.602 2.774 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001294077887 1066547875 /nfs/dbraw/zinc/54/78/75/1066547875.db2.gz TYQRNSJPIILTTC-YADARESESA-N 1 0 457.623 2.613 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294082594 1066551983 /nfs/dbraw/zinc/55/19/83/1066551983.db2.gz MDXWMIUJKILHKV-CVEARBPZSA-N 1 0 460.545 2.755 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC[N@@H+]1CCOC ZINC001294083052 1066552747 /nfs/dbraw/zinc/55/27/47/1066552747.db2.gz MKETYTMIHKCBHL-QRVBRYPASA-N 1 0 468.593 2.992 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@H+](CC)CCC)CCO1 ZINC001294083867 1066553160 /nfs/dbraw/zinc/55/31/60/1066553160.db2.gz PNQGVXIIWRQCGT-IBGZPJMESA-N 1 0 467.618 2.929 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001294085278 1066555204 /nfs/dbraw/zinc/55/52/04/1066555204.db2.gz DPTLDAPPESKFOB-JSXRDJHFSA-N 1 0 467.680 2.554 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001294085530 1066555648 /nfs/dbraw/zinc/55/56/48/1066555648.db2.gz UAKBWGWVGNCKLH-HKUYNNGSSA-N 1 0 494.562 2.826 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294090917 1066561867 /nfs/dbraw/zinc/56/18/67/1066561867.db2.gz IZERHQKARPSISV-VXKWHMMOSA-N 1 0 478.037 2.875 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294092219 1066562999 /nfs/dbraw/zinc/56/29/99/1066562999.db2.gz UVZDTXUJGGLALM-UUOWRZLLSA-N 1 0 495.640 2.952 20 0 JFADRO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)cc1 ZINC000009833696 194983910 /nfs/dbraw/zinc/98/39/10/194983910.db2.gz WBRGEXOBNQXOGL-UHFFFAOYSA-N 1 0 486.638 2.975 20 0 JFADRO O=C1CN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCCC4)CC2(CC[NH2+]CC2)N1 ZINC001164391756 718809695 /nfs/dbraw/zinc/80/96/95/718809695.db2.gz ICWDVZSZETWMAB-UHFFFAOYSA-N 1 0 454.644 2.614 20 0 JFADRO F[C@]1(N2CC[C@H]3[NH2+]CCO[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390429 718823416 /nfs/dbraw/zinc/82/34/16/718823416.db2.gz OMYSSCQDAAIMOQ-WWMYMODYSA-N 1 0 452.361 2.984 20 0 JFADRO CCOC(=O)c1cc2n(n1)CCCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)C2 ZINC001164409633 718866584 /nfs/dbraw/zinc/86/65/84/718866584.db2.gz RYUUQJGRWVRAPF-GOSISDBHSA-N 1 0 498.628 2.664 20 0 JFADRO C[NH+]1CCN(c2cccc(N3CCO[C@@H](c4ncn5c4cccc5Br)C3)n2)CC1 ZINC001164417999 718890344 /nfs/dbraw/zinc/89/03/44/718890344.db2.gz MMTRFOKXNYRSBW-QGZVFWFLSA-N 1 0 457.376 2.822 20 0 JFADRO C[NH+]1CCN(c2cccc(N3CCO[C@H](c4ncn5c4cccc5Br)C3)n2)CC1 ZINC001164417998 718890543 /nfs/dbraw/zinc/89/05/43/718890543.db2.gz MMTRFOKXNYRSBW-KRWDZBQOSA-N 1 0 457.376 2.822 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164435073 718969015 /nfs/dbraw/zinc/96/90/15/718969015.db2.gz YKCZGPLOTYIEJZ-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164431853 718969931 /nfs/dbraw/zinc/96/99/31/718969931.db2.gz CBLWHKBKDDFFKD-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164431845 718970075 /nfs/dbraw/zinc/97/00/75/718970075.db2.gz CBLWHKBKDDFFKD-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@]3(C(=O)OCC)C[NH2+]C[C@]3(C(F)(F)F)C2)c(Cl)n1 ZINC001164432626 718970814 /nfs/dbraw/zinc/97/08/14/718970814.db2.gz HXWKWEYEENRYKL-IRXDYDNUSA-N 1 0 485.837 2.978 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164617786 719007716 /nfs/dbraw/zinc/00/77/16/719007716.db2.gz PSOXPUJYRPAETE-JLTOFOAXSA-N 1 0 457.953 2.890 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164618721 719010132 /nfs/dbraw/zinc/01/01/32/719010132.db2.gz SROGBKLHMRSQEA-FOIQADDNSA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC001164614232 719018824 /nfs/dbraw/zinc/01/88/24/719018824.db2.gz DPIDTOWOEUPMMN-PVAVHDDUSA-N 1 0 468.888 2.864 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3c(Cl)nnc(Cl)c3N3CCOCC3)CC2)CC1 ZINC001164618637 719035808 /nfs/dbraw/zinc/03/58/08/719035808.db2.gz WXAOWUUELKSVNH-UHFFFAOYSA-N 1 0 472.417 2.864 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)c2c1C ZINC001164619571 719122222 /nfs/dbraw/zinc/12/22/22/719122222.db2.gz FJPXMADIOCLPEQ-HOTGVXAUSA-N 1 0 477.606 2.522 20 0 JFADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3ncccc3C[NH+]3CCCC3)C[C@H]2c2ccccc2)C1=O ZINC001164631027 719144268 /nfs/dbraw/zinc/14/42/68/719144268.db2.gz MMERTWJVRRUCKR-HOFKKMOUSA-N 1 0 461.610 2.588 20 0 JFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164668226 719438916 /nfs/dbraw/zinc/43/89/16/719438916.db2.gz IVAZGFBACICQMV-PMACEKPBSA-N 1 0 451.596 2.710 20 0 JFADRO CNC(=O)CO[C@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164676666 719555932 /nfs/dbraw/zinc/55/59/32/719555932.db2.gz DNAAOYJEKBVUFP-QGZVFWFLSA-N 1 0 470.948 2.547 20 0 JFADRO CC(C)N(C)Cc1nn(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)c2c1CC[NH2+]C2 ZINC001164685182 719617099 /nfs/dbraw/zinc/61/70/99/719617099.db2.gz SJRUXOOLLJQGBB-UHFFFAOYSA-N 1 0 468.936 2.977 20 0 JFADRO COc1cc(OC)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681364 719661286 /nfs/dbraw/zinc/66/12/86/719661286.db2.gz MMOIGLFFRYPVSO-SFHVURJKSA-N 1 0 453.587 2.587 20 0 JFADRO COc1nc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164679965 719662654 /nfs/dbraw/zinc/66/26/54/719662654.db2.gz BNBPVWBTAQRMSB-INIZCTEOSA-N 1 0 458.994 2.627 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(NC(N)=S)cn3)CC2)c2ccccc21 ZINC001164681841 719680184 /nfs/dbraw/zinc/68/01/84/719680184.db2.gz AINPQLXFMXLFHV-SFHVURJKSA-N 1 0 466.655 2.831 20 0 JFADRO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164682963 719683906 /nfs/dbraw/zinc/68/39/06/719683906.db2.gz DNMPMZGYWAVZGW-FQEVSTJZSA-N 1 0 484.666 2.969 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C(OC)OC)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164687454 719731935 /nfs/dbraw/zinc/73/19/35/719731935.db2.gz XPOWUFLEDOUPQR-UHFFFAOYSA-N 1 0 461.607 2.538 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3ccccn3)n1)CC2 ZINC001164690308 719744791 /nfs/dbraw/zinc/74/47/91/719744791.db2.gz ZFRFRKPDWIAQRD-UHFFFAOYSA-N 1 0 450.921 2.918 20 0 JFADRO CN1CC2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)CC2)COc2ccccc2S1(=O)=O ZINC001164690691 719779724 /nfs/dbraw/zinc/77/97/24/719779724.db2.gz HCDGMJGJLHOVJL-UHFFFAOYSA-N 1 0 486.638 2.856 20 0 JFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2S(=O)(=O)N2CCOCC2)CC3)cs1 ZINC001164692666 719811067 /nfs/dbraw/zinc/81/10/67/719811067.db2.gz QZUCRIMGJIRGKS-UHFFFAOYSA-N 1 0 477.656 2.502 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164714643 720056065 /nfs/dbraw/zinc/05/60/65/720056065.db2.gz QONVPZVIIPJFLL-KZDDHRSZSA-N 1 0 450.587 2.832 20 0 JFADRO CCOC(=O)N1CCc2nnc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)cc2C1 ZINC001164711261 720143770 /nfs/dbraw/zinc/14/37/70/720143770.db2.gz GPODEPODOYSAOV-QFIPXVFZSA-N 1 0 480.613 2.894 20 0 JFADRO COc1ccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164716180 720164606 /nfs/dbraw/zinc/16/46/06/720164606.db2.gz YNEOTYVJAFOVBK-IBGZPJMESA-N 1 0 457.966 2.637 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164711371 720166613 /nfs/dbraw/zinc/16/66/13/720166613.db2.gz BFFJFOVTAATZTF-CQSZACIVSA-N 1 0 451.362 2.609 20 0 JFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164815572 720174132 /nfs/dbraw/zinc/17/41/32/720174132.db2.gz IIHMWHLWWNVFMC-XXBNENTESA-N 1 0 450.649 2.733 20 0 JFADRO Cn1nnc2c1CCN(c1nccc(-c3c[nH]c4ccccc34)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716582 720181308 /nfs/dbraw/zinc/18/13/08/720181308.db2.gz ICFFJXZBSZINHZ-HSZRJFAPSA-N 1 0 458.570 2.970 20 0 JFADRO Cn1nnc2c1CCN(c1ncnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716500 720185826 /nfs/dbraw/zinc/18/58/26/720185826.db2.gz FXMJHVOOPUFMKL-HSZRJFAPSA-N 1 0 490.587 2.963 20 0 JFADRO Cn1nnc2c1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719189 720185921 /nfs/dbraw/zinc/18/59/21/720185921.db2.gz UBDLOBCEAKCDCM-QHCPKHFHSA-N 1 0 472.597 2.824 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)COc1cccc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715408 720188064 /nfs/dbraw/zinc/18/80/64/720188064.db2.gz BHCHEPZQBFMWLO-INIZCTEOSA-N 1 0 456.925 2.547 20 0 JFADRO CN(C)c1ccc(-c2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)cc1 ZINC001164717162 720193133 /nfs/dbraw/zinc/19/31/33/720193133.db2.gz TWGDQNMSJOVROS-HSZRJFAPSA-N 1 0 462.602 2.554 20 0 JFADRO Cn1nnc2c1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718152 720195523 /nfs/dbraw/zinc/19/55/23/720195523.db2.gz XULZXXSIYQZNNB-QHCPKHFHSA-N 1 0 476.629 2.965 20 0 JFADRO Cn1nnc2c1CCN(c1ccc(-c3c(F)cccc3F)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718227 720199927 /nfs/dbraw/zinc/19/99/27/720199927.db2.gz YMIMUXCOFJPOIF-HXUWFJFHSA-N 1 0 455.513 2.767 20 0 JFADRO CC(C)c1noc(-c2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2)n1 ZINC001164715181 720200552 /nfs/dbraw/zinc/20/05/52/720200552.db2.gz JPSQOSMRQLHXEI-IBGZPJMESA-N 1 0 452.563 2.600 20 0 JFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719743 720205103 /nfs/dbraw/zinc/20/51/03/720205103.db2.gz SYNGZDKOVKYLEC-QFIPXVFZSA-N 1 0 451.550 2.936 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164815249 720207358 /nfs/dbraw/zinc/20/73/58/720207358.db2.gz XXISVHJEMCBKOM-IERDGZPVSA-N 1 0 456.418 2.805 20 0 JFADRO COC(=O)c1ccc2nc(Cl)c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2c1 ZINC001164811820 720213244 /nfs/dbraw/zinc/21/32/44/720213244.db2.gz KFQOMNBGMSOZBK-UHFFFAOYSA-N 1 0 470.961 2.877 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164815440 720216124 /nfs/dbraw/zinc/21/61/24/720216124.db2.gz ZIBLAVYKKUZMNL-UHFFFAOYSA-N 1 0 469.920 2.874 20 0 JFADRO CC[C@@H]1C(=O)Nc2cnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nc2N1C1CCCC1 ZINC001164812181 720221557 /nfs/dbraw/zinc/22/15/57/720221557.db2.gz GFTRQSLZMKXRJB-OAQYLSRUSA-N 1 0 494.644 2.764 20 0 JFADRO COC(=O)C[C@H](c1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1)C1CC1 ZINC001164814520 720234750 /nfs/dbraw/zinc/23/47/50/720234750.db2.gz WWAMFNTZCIBVPV-NRFANRHFSA-N 1 0 453.587 2.946 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164817582 720276505 /nfs/dbraw/zinc/27/65/05/720276505.db2.gz DQLAZLNDBGOKDK-LSCGWGKXSA-N 1 0 494.640 2.993 20 0 JFADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164827370 720296373 /nfs/dbraw/zinc/29/63/73/720296373.db2.gz XIBXMJGAWDSALQ-UXHICEINSA-N 1 0 471.989 2.981 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2ncn3Cc2ccccc2F)CC1 ZINC001164832941 720326035 /nfs/dbraw/zinc/32/60/35/720326035.db2.gz UYRQOIHPYNXYJG-FCHUYYIVSA-N 1 0 477.588 2.925 20 0 JFADRO COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164831347 720331045 /nfs/dbraw/zinc/33/10/45/720331045.db2.gz RIKVALXJJBZHCZ-LEWJYISDSA-N 1 0 485.629 2.764 20 0 JFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828943 720331951 /nfs/dbraw/zinc/33/19/51/720331951.db2.gz KRIZWERHWYILJU-PURBIHQZSA-N 1 0 451.571 2.661 20 0 JFADRO CC1CCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2)CC1 ZINC001164828693 720337918 /nfs/dbraw/zinc/33/79/18/720337918.db2.gz PKJOSHSLLFLQGV-GOTSBHOMSA-N 1 0 453.631 2.865 20 0 JFADRO CC1CCN(C(=O)c2cccnc2N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001164825198 720338641 /nfs/dbraw/zinc/33/86/41/720338641.db2.gz IWRFFLRJVMVOJQ-PKTZIBPZSA-N 1 0 453.631 2.865 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)CC1 ZINC001164824186 720340258 /nfs/dbraw/zinc/34/02/58/720340258.db2.gz HGDHDEQRNYYYKZ-FCHUYYIVSA-N 1 0 463.582 2.826 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3[C@@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164825320 720343342 /nfs/dbraw/zinc/34/33/42/720343342.db2.gz JKSGKFINUDHMBW-MRUHUIDDSA-N 1 0 475.943 2.847 20 0 JFADRO COC(=O)c1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc2c1OC ZINC001164825232 720346005 /nfs/dbraw/zinc/34/60/05/720346005.db2.gz JBLUDJYNZDGEMQ-RTWAWAEBSA-N 1 0 466.582 2.942 20 0 JFADRO COC(=O)c1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c2ccccc2c1OC ZINC001164825234 720346342 /nfs/dbraw/zinc/34/63/42/720346342.db2.gz JBLUDJYNZDGEMQ-SFTDATJTSA-N 1 0 466.582 2.942 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)CC1 ZINC001164830045 720349000 /nfs/dbraw/zinc/34/90/00/720349000.db2.gz VBTDSKGTWCTVHN-FTJBHMTQSA-N 1 0 490.652 2.892 20 0 JFADRO C[NH+]1CCN(c2cccc(N3CCOC[C@]4(C[C@@H](CNc5cccc(F)c5)CO4)C3)n2)CC1 ZINC001164727741 720493868 /nfs/dbraw/zinc/49/38/68/720493868.db2.gz NVCSQJVIZNJHMD-CPJSRVTESA-N 1 0 455.578 2.697 20 0 JFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)C1 ZINC001164731313 720512529 /nfs/dbraw/zinc/51/25/29/720512529.db2.gz WDZMXFOAGAXHMI-AWEZNQCLSA-N 1 0 454.909 2.636 20 0 JFADRO COC(=O)c1cc2c(OC)[nH]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc-2n1 ZINC001164841457 720539459 /nfs/dbraw/zinc/53/94/59/720539459.db2.gz VYJHNMWTOQPJPY-XGHQBKJUSA-N 1 0 452.559 2.932 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc2N1C1CCCC1 ZINC001164730493 720562676 /nfs/dbraw/zinc/56/26/76/720562676.db2.gz WMLMIIVMKDANTA-OAQYLSRUSA-N 1 0 478.645 2.836 20 0 JFADRO Fc1ccccc1N1CCN(c2cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)ncn2)CC1 ZINC001164736618 720586885 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Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CC(C)C)cc1C ZINC001289741987 1061357847 /nfs/dbraw/zinc/35/78/47/1061357847.db2.gz YYEPJDMTFDBRTI-OAQYLSRUSA-N 1 0 467.618 2.546 20 0 JFADRO CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891291 1061358484 /nfs/dbraw/zinc/35/84/84/1061358484.db2.gz XHOXPOOQGRJVGB-DEOSSOPVSA-N 1 0 481.689 2.742 20 0 JFADRO CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001286891292 1061359754 /nfs/dbraw/zinc/35/97/54/1061359754.db2.gz XHOXPOOQGRJVGB-XMMPIXPASA-N 1 0 481.689 2.742 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2CCC[N@@H+](C)C2CCCCC2)cc1C ZINC001289743505 1061360514 /nfs/dbraw/zinc/36/05/14/1061360514.db2.gz PRWDVRAAZDSTOS-UHFFFAOYSA-N 1 0 467.618 2.738 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001289750633 1061372099 /nfs/dbraw/zinc/37/20/99/1061372099.db2.gz ITELUXMRIANLBB-NRFANRHFSA-N 1 0 483.661 2.902 20 0 JFADRO Cc1ccc(NC(=O)C2CCN(c3nnc(-c4cccn4C)n3C[C@H](C)[NH+](C)C)CC2)nc1 ZINC001289751117 1061373141 /nfs/dbraw/zinc/37/31/41/1061373141.db2.gz QBFCHKSPMXBIKD-SFHVURJKSA-N 1 0 450.591 2.792 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286896544 1061380063 /nfs/dbraw/zinc/38/00/63/1061380063.db2.gz FTVBNFZPIHRXAI-JSRJAPPDSA-N 1 0 473.666 2.518 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286900906 1061393202 /nfs/dbraw/zinc/39/32/02/1061393202.db2.gz MDUUZTDEENPIOE-PELRDEGISA-N 1 0 454.623 2.741 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286900769 1061393244 /nfs/dbraw/zinc/39/32/44/1061393244.db2.gz LBVJTVAIGJBQTN-NFAVZRQZSA-N 1 0 456.639 2.683 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001286901077 1061393317 /nfs/dbraw/zinc/39/33/17/1061393317.db2.gz AFZXIWHWEMQZKX-UHFFFAOYSA-N 1 0 454.619 2.993 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccc(C)n3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001286900893 1061393369 /nfs/dbraw/zinc/39/33/69/1061393369.db2.gz LXAHDTQYWCFTMG-XPPIMPSXSA-N 1 0 483.661 2.769 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001289774570 1061396658 /nfs/dbraw/zinc/39/66/58/1061396658.db2.gz RZQLAYOOKWVTFU-VQTJNVASSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001286904860 1061415414 /nfs/dbraw/zinc/41/54/14/1061415414.db2.gz UHYWCVIWTGOBSB-UHFFFAOYSA-N 1 0 453.635 2.879 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001289792047 1061422481 /nfs/dbraw/zinc/42/24/81/1061422481.db2.gz RXJGXZQYLWVTKJ-FQEVSTJZSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792118 1061423460 /nfs/dbraw/zinc/42/34/60/1061423460.db2.gz KLWSHTCVUVGSHP-MSOLQXFVSA-N 1 0 462.545 2.528 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286906766 1061430757 /nfs/dbraw/zinc/43/07/57/1061430757.db2.gz GLZUMGLEWITZEQ-FGZHOGPDSA-N 1 0 475.037 2.940 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001289802709 1061439951 /nfs/dbraw/zinc/43/99/51/1061439951.db2.gz NLQABYXXTKWRRZ-RTWAWAEBSA-N 1 0 454.619 2.989 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286908480 1061445485 /nfs/dbraw/zinc/44/54/85/1061445485.db2.gz PHNAQVDZACKURY-QUCCMNQESA-N 1 0 488.608 2.773 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289809194 1061452417 /nfs/dbraw/zinc/45/24/17/1061452417.db2.gz OJSHWMHJQRYXHU-FCHUYYIVSA-N 1 0 475.659 2.909 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2([NH+](C)C)CCC2)cc1C ZINC001289809122 1061452436 /nfs/dbraw/zinc/45/24/36/1061452436.db2.gz MZEVJOALEJYUQM-UHFFFAOYSA-N 1 0 475.659 2.972 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001289812942 1061463774 /nfs/dbraw/zinc/46/37/74/1061463774.db2.gz XWEGBHDUZVSCAR-TZIWHRDSSA-N 1 0 454.619 2.988 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(S(C)(=O)=O)cc3)c3cnccc32)CC1 ZINC001289817647 1061472125 /nfs/dbraw/zinc/47/21/25/1061472125.db2.gz PMYTXUXJEXEHCI-UHFFFAOYSA-N 1 0 452.580 2.961 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CC=CCC2)C1 ZINC001286913743 1061477270 /nfs/dbraw/zinc/47/72/70/1061477270.db2.gz YCZBLNPUWNVVEX-SFTDATJTSA-N 1 0 487.649 2.717 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001286914989 1061489283 /nfs/dbraw/zinc/48/92/83/1061489283.db2.gz JDEGPFWLMSCRJS-GOSISDBHSA-N 1 0 467.618 2.735 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CCS(C)(=O)=O)cc1 ZINC001289824419 1061490487 /nfs/dbraw/zinc/49/04/87/1061490487.db2.gz JWXWRFIBPFNPEU-LJQANCHMSA-N 1 0 461.632 2.521 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC001289825202 1061495078 /nfs/dbraw/zinc/49/50/78/1061495078.db2.gz XDJNCUGLFNRAEU-SFTDATJTSA-N 1 0 484.645 2.640 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001286919178 1061508769 /nfs/dbraw/zinc/50/87/69/1061508769.db2.gz MYAQSLZEGPWRRH-UHFFFAOYSA-N 1 0 463.051 2.676 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286921316 1061516165 /nfs/dbraw/zinc/51/61/65/1061516165.db2.gz DIQUJQQXKIEEDU-LEWJYISDSA-N 1 0 489.665 2.795 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001286921447 1061517254 /nfs/dbraw/zinc/51/72/54/1061517254.db2.gz DSNNGMOPTVSPDY-UHFFFAOYSA-N 1 0 479.050 2.664 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCC2)C1 ZINC001286921678 1061518769 /nfs/dbraw/zinc/51/87/69/1061518769.db2.gz JBUUFDSFFYJJFH-OAQYLSRUSA-N 1 0 467.618 2.596 20 0 JFADRO Cc1ccc(OCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001289847965 1061520923 /nfs/dbraw/zinc/52/09/23/1061520923.db2.gz ALVNXKPSCJCZOB-LJQANCHMSA-N 1 0 478.663 2.586 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C(C)(C)C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001289854932 1061526110 /nfs/dbraw/zinc/52/61/10/1061526110.db2.gz QDQAIEYUZGBZKB-UHFFFAOYSA-N 1 0 460.648 2.561 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCOCC[NH+](C)C)C1 ZINC001286924867 1061532018 /nfs/dbraw/zinc/53/20/18/1061532018.db2.gz IOYCKCOQRORNHH-INIZCTEOSA-N 1 0 499.479 2.700 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286925193 1061534189 /nfs/dbraw/zinc/53/41/89/1061534189.db2.gz DKCWBFIRZHTQSH-VWNXMTODSA-N 1 0 484.645 2.861 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@H]3CCCCO3)n2CC[NH+]2CCCCC2)cc1 ZINC001289856600 1061536619 /nfs/dbraw/zinc/53/66/19/1061536619.db2.gz VEYKEUOIAXSZNB-JOCHJYFZSA-N 1 0 490.674 2.729 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286926052 1061537739 /nfs/dbraw/zinc/53/77/39/1061537739.db2.gz HWMNVAXGBKFQSB-YUVXSKOASA-N 1 0 476.666 2.760 20 0 JFADRO Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289860859 1061542050 /nfs/dbraw/zinc/54/20/50/1061542050.db2.gz LSJTUMZMJABQFD-LJQANCHMSA-N 1 0 493.699 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@H](C)[NH+](C)C)C1 ZINC001286927065 1061542679 /nfs/dbraw/zinc/54/26/79/1061542679.db2.gz QDTOLVQOQKLXDZ-IHPCNDPISA-N 1 0 477.654 2.653 20 0 JFADRO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001289861124 1061542695 /nfs/dbraw/zinc/54/26/95/1061542695.db2.gz PVIFWNMZGKFMNY-OAQYLSRUSA-N 1 0 472.659 2.514 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001289862519 1061545159 /nfs/dbraw/zinc/54/51/59/1061545159.db2.gz IKNQSRZWTZOHQA-NHCUHLMSSA-N 1 0 486.686 2.783 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001286928871 1061549867 /nfs/dbraw/zinc/54/98/67/1061549867.db2.gz MWBQNJMLDRBLNE-PXDATVDWSA-N 1 0 486.686 2.955 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001289868259 1061550133 /nfs/dbraw/zinc/55/01/33/1061550133.db2.gz PVCGTAOXVYBOJR-PMACEKPBSA-N 1 0 472.659 2.691 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@H]([NH+]4CCCCC4)C3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001289870243 1061553283 /nfs/dbraw/zinc/55/32/83/1061553283.db2.gz QAHXMULQXGAIOU-HXUWFJFHSA-N 1 0 492.715 2.835 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCSCC2)cc1 ZINC001289871857 1061555715 /nfs/dbraw/zinc/55/57/15/1061555715.db2.gz IWUJEGPVTLMYTD-SFHVURJKSA-N 1 0 460.673 2.629 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286931776 1061558397 /nfs/dbraw/zinc/55/83/97/1061558397.db2.gz AXLIHQYFGZPVNU-FQEVSTJZSA-N 1 0 492.466 2.739 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001289876898 1061560626 /nfs/dbraw/zinc/56/06/26/1061560626.db2.gz GVSBEYYLDWNKBV-UHFFFAOYSA-N 1 0 463.673 2.988 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001289879484 1061564485 /nfs/dbraw/zinc/56/44/85/1061564485.db2.gz RSKBXKWRKUUXQR-UHFFFAOYSA-N 1 0 482.658 2.810 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001286933695 1061566366 /nfs/dbraw/zinc/56/63/66/1061566366.db2.gz AUIGDWQOUQFHIV-OAQYLSRUSA-N 1 0 451.575 2.512 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286934757 1061570702 /nfs/dbraw/zinc/57/07/02/1061570702.db2.gz KBSQRXCHIRVAAW-BGYRXZFFSA-N 1 0 486.636 2.860 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294093454 1061572226 /nfs/dbraw/zinc/57/22/26/1061572226.db2.gz DQHUFJMIIACOQX-RTWAWAEBSA-N 1 0 489.690 2.582 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(O)c2)CC[N@@H+]1CCOC ZINC001294094610 1061572908 /nfs/dbraw/zinc/57/29/08/1061572908.db2.gz KNMHNSLWGLNSDU-JOCHJYFZSA-N 1 0 450.587 2.955 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294099282 1061579818 /nfs/dbraw/zinc/57/98/18/1061579818.db2.gz MHRIYMMFOMXLNY-AVJFOWIRSA-N 1 0 493.693 2.939 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC001286940336 1061582193 /nfs/dbraw/zinc/58/21/93/1061582193.db2.gz BREUZKOCVDMOSD-KBXCAEBGSA-N 1 0 464.973 2.562 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001294103387 1061583532 /nfs/dbraw/zinc/58/35/32/1061583532.db2.gz JMVOPQHUGCTGCL-GUDVDZBRSA-N 1 0 455.694 2.915 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001286940667 1061584200 /nfs/dbraw/zinc/58/42/00/1061584200.db2.gz GFNWOQAJNIUXCP-FQEVSTJZSA-N 1 0 461.010 2.814 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294104394 1061584341 /nfs/dbraw/zinc/58/43/41/1061584341.db2.gz ONRVJIFMEDGQPV-HSALFYBXSA-N 1 0 488.599 2.951 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001286940923 1061585502 /nfs/dbraw/zinc/58/55/02/1061585502.db2.gz ISXXRAZWMPTXHA-ROUUACIJSA-N 1 0 458.588 2.552 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(N(C)C)nc2)CC[N@@H+]1CCOC ZINC001294105542 1061586794 /nfs/dbraw/zinc/58/67/94/1061586794.db2.gz YQZXOQRLMUDHHD-NHCUHLMSSA-N 1 0 457.623 2.576 20 0 JFADRO Cc1cccc(C)c1NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001289901946 1061588153 /nfs/dbraw/zinc/58/81/53/1061588153.db2.gz NQNUGVFYMXFXLL-NRFANRHFSA-N 1 0 495.672 2.865 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286941363 1061588970 /nfs/dbraw/zinc/58/89/70/1061588970.db2.gz JMMIZAXYAVWBDE-PXNSSMCTSA-N 1 0 472.977 2.836 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001286941579 1061589536 /nfs/dbraw/zinc/58/95/36/1061589536.db2.gz JTEITUXEWJUVSS-NRFANRHFSA-N 1 0 454.619 2.717 20 0 JFADRO Cc1cccc(C)c1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001289903213 1061589630 /nfs/dbraw/zinc/58/96/30/1061589630.db2.gz VJJAWYSKZORPDT-LJQANCHMSA-N 1 0 478.663 2.551 20 0 JFADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001289903868 1061591129 /nfs/dbraw/zinc/59/11/29/1061591129.db2.gz YIPULRHWQWFSJP-UHFFFAOYSA-N 1 0 485.702 2.828 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001286942378 1061594321 /nfs/dbraw/zinc/59/43/21/1061594321.db2.gz UVQFLSJRMIQVDJ-CZUORRHYSA-N 1 0 455.390 2.543 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001286942374 1061594344 /nfs/dbraw/zinc/59/43/44/1061594344.db2.gz UVQFLSJRMIQVDJ-BBRMVZONSA-N 1 0 455.390 2.543 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001289909556 1061599574 /nfs/dbraw/zinc/59/95/74/1061599574.db2.gz QMVGNZQEGHSRRX-NSHGMRRFSA-N 1 0 462.664 2.886 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@H](C)c3ccc(S(N)(=O)=O)cc3)n2CCC[NH+]2CCCC2)n1 ZINC001289909658 1061601070 /nfs/dbraw/zinc/60/10/70/1061601070.db2.gz SMFAGEJBVLDBPM-LJQANCHMSA-N 1 0 483.642 2.979 20 0 JFADRO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294121417 1061602170 /nfs/dbraw/zinc/60/21/70/1061602170.db2.gz WSXCQPDHNFLRIE-JOCHJYFZSA-N 1 0 470.618 2.895 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286943533 1061603204 /nfs/dbraw/zinc/60/32/04/1061603204.db2.gz BESUUIBZEDBFHK-GOTSBHOMSA-N 1 0 496.612 2.711 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001289922065 1061613905 /nfs/dbraw/zinc/61/39/05/1061613905.db2.gz LMNYNHCEYLIZRB-UHFFFAOYSA-N 1 0 458.998 2.783 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001289930978 1061620679 /nfs/dbraw/zinc/62/06/79/1061620679.db2.gz FLEIZTYTDZOSIY-WOJBJXKFSA-N 1 0 452.607 2.869 20 0 JFADRO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001294137341 1061621638 /nfs/dbraw/zinc/62/16/38/1061621638.db2.gz LYQHQDSKDSIXLC-IRLDBZIGSA-N 1 0 490.674 2.512 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286946151 1061631066 /nfs/dbraw/zinc/63/10/66/1061631066.db2.gz JSBHQQDCVUGIGE-NHCICSSKSA-N 1 0 468.646 2.639 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001286946469 1061635039 /nfs/dbraw/zinc/63/50/39/1061635039.db2.gz PPDOFVJSYHERBA-RDGATRHJSA-N 1 0 482.673 2.915 20 0 JFADRO CSCC[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1C(=O)c2ccccc2C1=O ZINC001294152605 1061636633 /nfs/dbraw/zinc/63/66/33/1061636633.db2.gz QMTJNHREZNMFRZ-NRFANRHFSA-N 1 0 459.612 2.508 20 0 JFADRO CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286947513 1061647733 /nfs/dbraw/zinc/64/77/33/1061647733.db2.gz ZAJUDVIRMIXSMY-GMAHTHKFSA-N 1 0 484.645 2.720 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001289954222 1061649467 /nfs/dbraw/zinc/64/94/67/1061649467.db2.gz LATKUMJUQIKDOK-FQEVSTJZSA-N 1 0 489.690 2.535 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CCO1 ZINC001286947728 1061649768 /nfs/dbraw/zinc/64/97/68/1061649768.db2.gz WQYMRTYKWIYMNC-QHCPKHFHSA-N 1 0 484.645 2.771 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001289955420 1061652879 /nfs/dbraw/zinc/65/28/79/1061652879.db2.gz RYXJGNMQXUDYMZ-HXUWFJFHSA-N 1 0 489.690 2.679 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001286948148 1061654156 /nfs/dbraw/zinc/65/41/56/1061654156.db2.gz ZNFCCVYCIVFWJD-DBTWGZIYSA-N 1 0 482.673 2.915 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286948350 1061657411 /nfs/dbraw/zinc/65/74/11/1061657411.db2.gz QKPFHPFXALMTBA-ZEQRLZLVSA-N 1 0 486.636 2.860 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948670 1061661614 /nfs/dbraw/zinc/66/16/14/1061661614.db2.gz ZYPLIZPXZTXWSQ-FBLLAGFSSA-N 1 0 498.672 2.875 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001289962303 1061669620 /nfs/dbraw/zinc/66/96/20/1061669620.db2.gz WHIDDGSBSZJHNK-HFJQGTKSSA-N 1 0 460.648 2.782 20 0 JFADRO CC(=O)NCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001286949760 1061674417 /nfs/dbraw/zinc/67/44/17/1061674417.db2.gz OHCVQIJXHQDZHU-UHFFFAOYSA-N 1 0 450.591 2.782 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001294172859 1061676246 /nfs/dbraw/zinc/67/62/46/1061676246.db2.gz FEDDBSIWCXVDBW-RTWAWAEBSA-N 1 0 473.666 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)n1 ZINC001289972289 1061679883 /nfs/dbraw/zinc/67/98/83/1061679883.db2.gz JSEIBXNRROLQSF-AZUAARDMSA-N 1 0 460.648 2.784 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@H](C2CCCCC2)[NH+](C)C)n1 ZINC001289972594 1061683313 /nfs/dbraw/zinc/68/33/13/1061683313.db2.gz OGRBGSVVMSHORL-JOCHJYFZSA-N 1 0 489.690 2.631 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001289973461 1061685339 /nfs/dbraw/zinc/68/53/39/1061685339.db2.gz IKEHOJOLIGQCHN-VSKRKVRLSA-N 1 0 483.661 2.889 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289974215 1061688213 /nfs/dbraw/zinc/68/82/13/1061688213.db2.gz LRSOQVJNFMCJFC-SFTDATJTSA-N 1 0 491.706 2.733 20 0 JFADRO CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001286951836 1061692318 /nfs/dbraw/zinc/69/23/18/1061692318.db2.gz FRPHMRZJNNLDAZ-OYRHEFFESA-N 1 0 485.652 2.529 20 0 JFADRO CN(CCCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC001294188729 1061697440 /nfs/dbraw/zinc/69/74/40/1061697440.db2.gz FKTRGVJTAYLGNV-HXUWFJFHSA-N 1 0 454.596 2.580 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289978928 1061699354 /nfs/dbraw/zinc/69/93/54/1061699354.db2.gz HWUPCJQGUSOIKO-NVQXNPDNSA-N 1 0 483.661 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2C[C@@](C)(O)CCC(C)C)n1 ZINC001289978925 1061699499 /nfs/dbraw/zinc/69/94/99/1061699499.db2.gz HWUPCJQGUSOIKO-GJZUVCINSA-N 1 0 483.661 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CCN(C)CC(F)(F)F)n1 ZINC001289983699 1061706584 /nfs/dbraw/zinc/70/65/84/1061706584.db2.gz RGURZNWSOMQGLQ-GOSISDBHSA-N 1 0 481.567 2.832 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCOCC(F)F)n1 ZINC001289985075 1061708595 /nfs/dbraw/zinc/70/85/95/1061708595.db2.gz FZYMIVPOLKUXFR-BGYRXZFFSA-N 1 0 477.604 2.925 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001294209831 1061713297 /nfs/dbraw/zinc/71/32/97/1061713297.db2.gz BCUMYCQNHGJVKA-UHFFFAOYSA-N 1 0 463.577 2.753 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001286957807 1061722102 /nfs/dbraw/zinc/72/21/02/1061722102.db2.gz FLFBUFOTIDTEDS-UHFFFAOYSA-N 1 0 497.669 2.780 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294215855 1061724681 /nfs/dbraw/zinc/72/46/81/1061724681.db2.gz VZTBHRHMWLUMRT-MRXNPFEDSA-N 1 0 480.455 2.835 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294216280 1061725496 /nfs/dbraw/zinc/72/54/96/1061725496.db2.gz YVIHCBYRTKFMSO-UHFFFAOYSA-N 1 0 474.009 2.851 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294217419 1061729008 /nfs/dbraw/zinc/72/90/08/1061729008.db2.gz HABHAYBUPLPLJU-SQJMNOBHSA-N 1 0 497.688 2.674 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294217470 1061729102 /nfs/dbraw/zinc/72/91/02/1061729102.db2.gz IYRVESIVLMSQNB-UHFFFAOYSA-N 1 0 474.009 2.851 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001294218458 1061729554 /nfs/dbraw/zinc/72/95/54/1061729554.db2.gz RBGLVQGQMQDUEZ-FQEVSTJZSA-N 1 0 455.563 2.955 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(Cc4cccc(C)c4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290003460 1061729636 /nfs/dbraw/zinc/72/96/36/1061729636.db2.gz QCSPPWSLNPQAQE-JOCHJYFZSA-N 1 0 465.646 2.972 20 0 JFADRO Cc1cccc(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC001290003416 1061729697 /nfs/dbraw/zinc/72/96/97/1061729697.db2.gz PCYCRJSJAYXFLR-HXUWFJFHSA-N 1 0 491.706 2.783 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294219391 1061730239 /nfs/dbraw/zinc/73/02/39/1061730239.db2.gz YJVGXQHEHWUPLY-QUCCMNQESA-N 1 0 459.547 2.808 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001294223124 1061733407 /nfs/dbraw/zinc/73/34/07/1061733407.db2.gz BUZQYRUGKPVNSE-JOCHJYFZSA-N 1 0 470.618 2.920 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001294223695 1061733648 /nfs/dbraw/zinc/73/36/48/1061733648.db2.gz JAYJJTAAYUOQSU-HSZRJFAPSA-N 1 0 472.682 2.924 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294223767 1061734210 /nfs/dbraw/zinc/73/42/10/1061734210.db2.gz KIRZWLXBXPAEGJ-UHFFFAOYSA-N 1 0 489.621 2.795 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1 ZINC001294224193 1061734578 /nfs/dbraw/zinc/73/45/78/1061734578.db2.gz PVYJZHQSCWELPL-KRWDZBQOSA-N 1 0 455.632 2.866 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224413 1061735014 /nfs/dbraw/zinc/73/50/14/1061735014.db2.gz SZJMKUDMTDFWLW-FPOVZHCZSA-N 1 0 472.638 2.649 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294225064 1061735797 /nfs/dbraw/zinc/73/57/97/1061735797.db2.gz ACAKUQGSOOUKAL-DFBJGRDBSA-N 1 0 491.681 2.826 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001294225308 1061736392 /nfs/dbraw/zinc/73/63/92/1061736392.db2.gz BZWYECHVCOCCIA-RBUKOAKNSA-N 1 0 450.628 2.960 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 ZINC001294225716 1061737497 /nfs/dbraw/zinc/73/74/97/1061737497.db2.gz GTDUORCNFJKLSL-MOPGFXCFSA-N 1 0 466.627 2.544 20 0 JFADRO CCCC[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001294228066 1061742157 /nfs/dbraw/zinc/74/21/57/1061742157.db2.gz ACISRGQNNHBQRI-UHFFFAOYSA-N 1 0 489.690 2.696 20 0 JFADRO Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CCc3cccs3)CC2)n1 ZINC001290018693 1061742611 /nfs/dbraw/zinc/74/26/11/1061742611.db2.gz ZWOLBUHNJNWVPF-UHFFFAOYSA-N 1 0 467.643 2.789 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001294228425 1061743214 /nfs/dbraw/zinc/74/32/14/1061743214.db2.gz FHFRPFHHXXPQNU-IPMKNSEASA-N 1 0 455.669 2.552 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294229249 1061745875 /nfs/dbraw/zinc/74/58/75/1061745875.db2.gz WVKJRJKCCYAUNW-XMMPIXPASA-N 1 0 456.591 2.640 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001294230073 1061746983 /nfs/dbraw/zinc/74/69/83/1061746983.db2.gz UVOLJEWZEGMMQT-LJQANCHMSA-N 1 0 470.588 2.944 20 0 JFADRO Cc1cccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001290037182 1061753135 /nfs/dbraw/zinc/75/31/35/1061753135.db2.gz GFXCVHVJRXHKFA-SZPZYZBQSA-N 1 0 483.661 2.551 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001290045276 1061762082 /nfs/dbraw/zinc/76/20/82/1061762082.db2.gz XNZKWSVCYDQFHX-PWHSHALESA-N 1 0 495.715 2.861 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCC2)c1 ZINC001290047065 1061766545 /nfs/dbraw/zinc/76/65/45/1061766545.db2.gz MDUDOTTYNNHUJN-IBGZPJMESA-N 1 0 461.632 2.663 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001286974261 1061767623 /nfs/dbraw/zinc/76/76/23/1061767623.db2.gz CNBPTQDKTZSQGN-SJORKVTESA-N 1 0 499.628 2.516 20 0 JFADRO CC(C)(C)C(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001286975248 1061775293 /nfs/dbraw/zinc/77/52/93/1061775293.db2.gz DBEUSZVJUOKIPR-UHFFFAOYSA-N 1 0 496.660 2.886 20 0 JFADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294287823 1061775305 /nfs/dbraw/zinc/77/53/05/1061775305.db2.gz QZNDCNIAWBGJTC-UHFFFAOYSA-N 1 0 453.635 2.502 20 0 JFADRO COc1cc(OC)cc(N2CC[C@H](NC(=O)Cc3csc(SCC[NH+](C)C)n3)C2)c1 ZINC001294291326 1061776782 /nfs/dbraw/zinc/77/67/82/1061776782.db2.gz KEYKMVMYJYWPJS-HNNXBMFYSA-N 1 0 450.630 2.752 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001290058275 1061778675 /nfs/dbraw/zinc/77/86/75/1061778675.db2.gz FABNXEMLXODWNT-CPJSRVTESA-N 1 0 454.619 2.989 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001290060021 1061780342 /nfs/dbraw/zinc/78/03/42/1061780342.db2.gz PDMIJFNNVVBZDS-QGZVFWFLSA-N 1 0 484.630 2.822 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286976331 1061783174 /nfs/dbraw/zinc/78/31/74/1061783174.db2.gz DEIRSKQUWCELBO-WSTZPKSXSA-N 1 0 475.663 2.790 20 0 JFADRO CCCCn1cc(Cn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)c(C)n1 ZINC001294296895 1061784424 /nfs/dbraw/zinc/78/44/24/1061784424.db2.gz CTJVSLWYQJSZQZ-LJQANCHMSA-N 1 0 454.623 2.794 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286977449 1061790533 /nfs/dbraw/zinc/79/05/33/1061790533.db2.gz MJAQMAKKOCKVPN-LLGFUMIMSA-N 1 0 457.710 2.706 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCCC1 ZINC001286978147 1061795789 /nfs/dbraw/zinc/79/57/89/1061795789.db2.gz UYOHZEDAQKYJSA-IAGOWNOFSA-N 1 0 469.602 2.891 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294308301 1061795801 /nfs/dbraw/zinc/79/58/01/1061795801.db2.gz PXSPBNBEJYDXCJ-OAQYLSRUSA-N 1 0 498.676 2.508 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001294308429 1061796046 /nfs/dbraw/zinc/79/60/46/1061796046.db2.gz KPSWJBGCYMFQNN-XZOQPEGZSA-N 1 0 453.635 2.590 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 ZINC001294308581 1061796540 /nfs/dbraw/zinc/79/65/40/1061796540.db2.gz SCVLSGAPCJBXRP-PZJWPPBQSA-N 1 0 473.666 2.566 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294309199 1061798477 /nfs/dbraw/zinc/79/84/77/1061798477.db2.gz SLPPSFMIBZEHIJ-HSALFYBXSA-N 1 0 459.591 2.861 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294310197 1061800954 /nfs/dbraw/zinc/80/09/54/1061800954.db2.gz FXDBXQBWDPVABV-HSZRJFAPSA-N 1 0 495.672 2.773 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294311501 1061801485 /nfs/dbraw/zinc/80/14/85/1061801485.db2.gz MWDPYIALYKIHRU-KCZVDYSFSA-N 1 0 470.618 2.663 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC001294311697 1061802378 /nfs/dbraw/zinc/80/23/78/1061802378.db2.gz NUGNNXMUMCOTIB-HBMCJLEFSA-N 1 0 473.666 2.769 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312056 1061803217 /nfs/dbraw/zinc/80/32/17/1061803217.db2.gz SPQAPLOAKCKUAM-FQEVSTJZSA-N 1 0 452.669 2.576 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(COc4cccc(C)c4)n3C[C@H](C)[NH+](C)C)CC2)on1 ZINC001290074817 1061803459 /nfs/dbraw/zinc/80/34/59/1061803459.db2.gz PJBITNPPKDTBTC-FQEVSTJZSA-N 1 0 453.591 2.734 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001294313356 1061805268 /nfs/dbraw/zinc/80/52/68/1061805268.db2.gz BYFILZYHEFWUPT-NJDAHSKKSA-N 1 0 482.695 2.502 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294313759 1061805457 /nfs/dbraw/zinc/80/54/57/1061805457.db2.gz DVEYFNLHPRDODU-FCHUYYIVSA-N 1 0 474.675 2.932 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294313760 1061805905 /nfs/dbraw/zinc/80/59/05/1061805905.db2.gz DVEYFNLHPRDODU-FGZHOGPDSA-N 1 0 474.675 2.932 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001294315575 1061807405 /nfs/dbraw/zinc/80/74/05/1061807405.db2.gz BYAQUUQMZUNULW-OAQYLSRUSA-N 1 0 476.666 2.890 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294315662 1061808473 /nfs/dbraw/zinc/80/84/73/1061808473.db2.gz CKWOWZNAHCNKKY-JTHBVZDNSA-N 1 0 484.645 2.771 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294316299 1061809964 /nfs/dbraw/zinc/80/99/64/1061809964.db2.gz FGFUFSNKTSLROW-UXHICEINSA-N 1 0 455.669 2.873 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294317294 1061813732 /nfs/dbraw/zinc/81/37/32/1061813732.db2.gz KPEFYBFRRAHQJB-UUOWRZLLSA-N 1 0 487.674 2.626 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001294317696 1061814847 /nfs/dbraw/zinc/81/48/47/1061814847.db2.gz XVXCHYUHDWBNGF-CBPXPLCBSA-N 1 0 496.722 2.890 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294318971 1061820188 /nfs/dbraw/zinc/82/01/88/1061820188.db2.gz XPELATLUQKFFJR-YADHBBJMSA-N 1 0 487.693 2.796 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001290087261 1061820458 /nfs/dbraw/zinc/82/04/58/1061820458.db2.gz QDGSRAIUCFHYFZ-QHCPKHFHSA-N 1 0 454.619 2.651 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294319415 1061821864 /nfs/dbraw/zinc/82/18/64/1061821864.db2.gz ZIUZISXVZREZMK-BPYKYCOYSA-N 1 0 476.666 2.640 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286983016 1061831734 /nfs/dbraw/zinc/83/17/34/1061831734.db2.gz VBDSWOWOQQOBIZ-MBOZVWFJSA-N 1 0 484.066 2.703 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001290104208 1061832854 /nfs/dbraw/zinc/83/28/54/1061832854.db2.gz RXCAHXQUKUQWPV-UHFFFAOYSA-N 1 0 460.648 2.598 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001290104656 1061833873 /nfs/dbraw/zinc/83/38/73/1061833873.db2.gz ZBPVRDRWFAJNFC-GOSISDBHSA-N 1 0 460.648 2.596 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(=O)NC(C)C ZINC001290113165 1061842059 /nfs/dbraw/zinc/84/20/59/1061842059.db2.gz NLWSBIJMUNUQNY-UHFFFAOYSA-N 1 0 495.672 2.597 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001294327801 1061843722 /nfs/dbraw/zinc/84/37/22/1061843722.db2.gz XIZFMXGBIBSDNT-SLFFLAALSA-N 1 0 454.623 2.741 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286985067 1061850542 /nfs/dbraw/zinc/85/05/42/1061850542.db2.gz QZEBPGYTRHGFHT-GOSISDBHSA-N 1 0 475.037 2.919 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001286985068 1061850652 /nfs/dbraw/zinc/85/06/52/1061850652.db2.gz QZEBPGYTRHGFHT-SFHVURJKSA-N 1 0 475.037 2.919 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001290123184 1061852588 /nfs/dbraw/zinc/85/25/88/1061852588.db2.gz CZUWDBKHXZDECH-HXUWFJFHSA-N 1 0 474.675 2.988 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294331867 1061855709 /nfs/dbraw/zinc/85/57/09/1061855709.db2.gz HDUXAQRZWHAZTC-VBANMALSSA-N 1 0 482.673 2.651 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131206 1061865148 /nfs/dbraw/zinc/86/51/48/1061865148.db2.gz DSLHHZMFISWQFC-ZBFHGGJFSA-N 1 0 455.386 2.723 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC001294334085 1061865632 /nfs/dbraw/zinc/86/56/32/1061865632.db2.gz NNOIGPWMOHKXMH-WGSAOQKQSA-N 1 0 452.640 2.813 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001294338568 1061879804 /nfs/dbraw/zinc/87/98/04/1061879804.db2.gz VMPYOMODOVGUEH-NRFANRHFSA-N 1 0 461.699 2.736 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001294340930 1061886119 /nfs/dbraw/zinc/88/61/19/1061886119.db2.gz AULCZKIIEPGRBG-NJDAHSKKSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001294341159 1061887647 /nfs/dbraw/zinc/88/76/47/1061887647.db2.gz DASBYUBPSUNPQU-UNMCSNQZSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294341363 1061888501 /nfs/dbraw/zinc/88/85/01/1061888501.db2.gz FPBJIMKKVPFWHH-OAQYLSRUSA-N 1 0 469.634 2.584 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001286991369 1061889893 /nfs/dbraw/zinc/88/98/93/1061889893.db2.gz VRSDEGRTIJUINE-UHFFFAOYSA-N 1 0 459.660 2.924 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001286991254 1061890078 /nfs/dbraw/zinc/89/00/78/1061890078.db2.gz SFHJABJULQQOKY-QFIPXVFZSA-N 1 0 498.672 2.560 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001294341773 1061890808 /nfs/dbraw/zinc/89/08/08/1061890808.db2.gz JZVAMEUGQYSRPE-FPOVZHCZSA-N 1 0 456.639 2.686 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)CC(=O)N2CCOCC2)n1CCC[NH+]1CCC(C)CC1 ZINC001290147507 1061890928 /nfs/dbraw/zinc/89/09/28/1061890928.db2.gz PAOYMIXOKCQAQN-UHFFFAOYSA-N 1 0 468.646 2.594 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)Cc2cnccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290151181 1061892603 /nfs/dbraw/zinc/89/26/03/1061892603.db2.gz NEJVQUBBGOYPSD-HSZRJFAPSA-N 1 0 476.629 2.546 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001294343134 1061894912 /nfs/dbraw/zinc/89/49/12/1061894912.db2.gz VHNVVOWYUUFURZ-MBSDFSHPSA-N 1 0 459.664 2.843 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001290163964 1061903413 /nfs/dbraw/zinc/90/34/13/1061903413.db2.gz CYDMOWCWKJKRMQ-UHFFFAOYSA-N 1 0 476.691 2.625 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001290165581 1061907913 /nfs/dbraw/zinc/90/79/13/1061907913.db2.gz RUHKLHXHCDQGMC-UHFFFAOYSA-N 1 0 488.702 2.817 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001290166828 1061910262 /nfs/dbraw/zinc/91/02/62/1061910262.db2.gz LBPRUGKSSHWTIE-FGZHOGPDSA-N 1 0 488.702 2.769 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001287000166 1061913510 /nfs/dbraw/zinc/91/35/10/1061913510.db2.gz ADPHQLIPZAOARA-UHFFFAOYSA-N 1 0 454.619 2.690 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001290175358 1061922624 /nfs/dbraw/zinc/92/26/24/1061922624.db2.gz YRMZCSWEIPFBEH-QHCPKHFHSA-N 1 0 495.716 2.896 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001294358848 1061929964 /nfs/dbraw/zinc/92/99/64/1061929964.db2.gz RXLVAMWXFKUALJ-XMMPIXPASA-N 1 0 475.037 2.798 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O ZINC001287007872 1061932745 /nfs/dbraw/zinc/93/27/45/1061932745.db2.gz KBGSHVBMWNLLCY-RBUKOAKNSA-N 1 0 466.696 2.700 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001287008197 1061933825 /nfs/dbraw/zinc/93/38/25/1061933825.db2.gz ROSZKINFLMIOJT-UHFFFAOYSA-N 1 0 453.635 2.877 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C3Cc4ccccc4C3)CC2)n1CC(=O)NCC(F)(F)F ZINC001287008592 1061934358 /nfs/dbraw/zinc/93/43/58/1061934358.db2.gz JALLDCRMEZTDBP-UHFFFAOYSA-N 1 0 464.536 2.544 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOC(C)(C)C)CC1 ZINC001290195961 1061937109 /nfs/dbraw/zinc/93/71/09/1061937109.db2.gz GAGPPLGSVBLXSX-UHFFFAOYSA-N 1 0 454.619 2.960 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001290197463 1061938470 /nfs/dbraw/zinc/93/84/70/1061938470.db2.gz SZXMRNXBTCGGBU-UHFFFAOYSA-N 1 0 499.660 2.962 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001290197464 1061939279 /nfs/dbraw/zinc/93/92/79/1061939279.db2.gz TYNGWGFHXFNXSC-NRFANRHFSA-N 1 0 454.619 2.717 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1cccc(Br)n1 ZINC001287011628 1061943297 /nfs/dbraw/zinc/94/32/97/1061943297.db2.gz SZPUUABXRDMINP-MRXNPFEDSA-N 1 0 463.424 2.940 20 0 JFADRO CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)ccc2C)cc1 ZINC001290205529 1061950004 /nfs/dbraw/zinc/95/00/04/1061950004.db2.gz RZIHSBIDJMRQJD-FQEVSTJZSA-N 1 0 459.568 2.854 20 0 JFADRO CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001294380682 1061953095 /nfs/dbraw/zinc/95/30/95/1061953095.db2.gz CPFLHVKROHMABZ-FQEVSTJZSA-N 1 0 455.607 2.818 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290217873 1061963960 /nfs/dbraw/zinc/96/39/60/1061963960.db2.gz NJRZVGVYZPOHFS-HXUWFJFHSA-N 1 0 474.656 2.770 20 0 JFADRO Cc1cccnc1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001290220553 1061968541 /nfs/dbraw/zinc/96/85/41/1061968541.db2.gz IBOKGSNYLBNXII-UHFFFAOYSA-N 1 0 497.669 2.868 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287025345 1061969078 /nfs/dbraw/zinc/96/90/78/1061969078.db2.gz JQPOAXUZKXYBPN-BWKNWUBXSA-N 1 0 459.610 2.951 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287025355 1061969238 /nfs/dbraw/zinc/96/92/38/1061969238.db2.gz JQPOAXUZKXYBPN-SQJMNOBHSA-N 1 0 459.610 2.951 20 0 JFADRO CCCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294408957 1061975284 /nfs/dbraw/zinc/97/52/84/1061975284.db2.gz NASPCZBBXPHXTL-VXKWHMMOSA-N 1 0 481.707 2.945 20 0 JFADRO C[C@@H]1C[NH+](CCCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001294413981 1061978967 /nfs/dbraw/zinc/97/89/67/1061978967.db2.gz GIYGWWJBKKEDEX-WOIUINJBSA-N 1 0 458.603 2.969 20 0 JFADRO C[NH+](C)CCCN(C(=O)Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001294414893 1061980665 /nfs/dbraw/zinc/98/06/65/1061980665.db2.gz QSASKYKEDGYUDF-GOSISDBHSA-N 1 0 456.033 2.973 20 0 JFADRO C[C@H]1C[NH+](CCCCNC(=O)c2ccnc(Cl)c2I)C[C@H](C)O1 ZINC001294415255 1061982293 /nfs/dbraw/zinc/98/22/93/1061982293.db2.gz YEVWUTZFGITBHD-RYUDHWBXSA-N 1 0 451.736 2.959 20 0 JFADRO CC1=CCN(c2nnc(CCOc3ccccc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001290265585 1061996186 /nfs/dbraw/zinc/99/61/86/1061996186.db2.gz YMSIVBJCPYJFGI-QHCPKHFHSA-N 1 0 466.630 2.999 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454419 1061999986 /nfs/dbraw/zinc/99/99/86/1061999986.db2.gz QYAGGQPYYQKONA-PMACEKPBSA-N 1 0 491.681 2.986 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2OC)C1 ZINC001294454110 1062000138 /nfs/dbraw/zinc/00/01/38/1062000138.db2.gz NWWUMIAZLPAZIS-LJQANCHMSA-N 1 0 470.618 2.748 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nncn2CC)C1 ZINC001294454685 1062000659 /nfs/dbraw/zinc/00/06/59/1062000659.db2.gz AZKXEWXXKIBZEH-INIZCTEOSA-N 1 0 490.454 2.874 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001294456120 1062003600 /nfs/dbraw/zinc/00/36/00/1062003600.db2.gz IBPYIYLEZVZVFT-OAHLLOKOSA-N 1 0 499.479 2.781 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCOCC2)C1 ZINC001294458017 1062005530 /nfs/dbraw/zinc/00/55/30/1062005530.db2.gz PGMZVFUUTXHLKH-HXUWFJFHSA-N 1 0 475.659 2.943 20 0 JFADRO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC001290278241 1062006639 /nfs/dbraw/zinc/00/66/39/1062006639.db2.gz GLGHGSMRFKIFDS-UHFFFAOYSA-N 1 0 456.639 2.714 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2=O)CC1 ZINC001287040123 1062007014 /nfs/dbraw/zinc/00/70/14/1062007014.db2.gz VFJTYBIEZADQDM-UHFFFAOYSA-N 1 0 496.660 2.886 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040884 1062007677 /nfs/dbraw/zinc/00/76/77/1062007677.db2.gz AWDYBGFTKKJOAM-OALUTQOASA-N 1 0 488.599 2.603 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nncn2C)C1 ZINC001294460013 1062007694 /nfs/dbraw/zinc/00/76/94/1062007694.db2.gz ADWSWRUKSIJAEF-MRXNPFEDSA-N 1 0 458.998 2.952 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccccn2)CC1 ZINC001287041578 1062009223 /nfs/dbraw/zinc/00/92/23/1062009223.db2.gz MYQUJFJXZGTTHN-IBGZPJMESA-N 1 0 454.623 2.685 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001287041525 1062009488 /nfs/dbraw/zinc/00/94/88/1062009488.db2.gz KNWDEAZHYSUYKW-FQEVSTJZSA-N 1 0 473.666 2.580 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294461108 1062009597 /nfs/dbraw/zinc/00/95/97/1062009597.db2.gz ROURTHCWPWVHRG-RBUKOAKNSA-N 1 0 461.632 2.557 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 ZINC001287042059 1062010628 /nfs/dbraw/zinc/01/06/28/1062010628.db2.gz XSBBLQIGVBNCMV-HXUWFJFHSA-N 1 0 469.696 2.945 20 0 JFADRO Cc1cnn(C[C@H]2CN(c3nnc(Cc4cccnc4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001290280828 1062011086 /nfs/dbraw/zinc/01/10/86/1062011086.db2.gz SICGOERAEVXZPH-DHIUTWEWSA-N 1 0 466.634 2.651 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001287042236 1062011624 /nfs/dbraw/zinc/01/16/24/1062011624.db2.gz FYVVTGDWPMGWLN-GOSISDBHSA-N 1 0 485.599 2.814 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCOCC2)C1 ZINC001294461935 1062011691 /nfs/dbraw/zinc/01/16/91/1062011691.db2.gz FWAFPNGNGYCCFY-OAQYLSRUSA-N 1 0 455.651 2.927 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001294461784 1062011916 /nfs/dbraw/zinc/01/19/16/1062011916.db2.gz DQSZURHGLJMHAO-FQEVSTJZSA-N 1 0 483.642 2.549 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001287042352 1062012172 /nfs/dbraw/zinc/01/21/72/1062012172.db2.gz KBNDEEOWHAVTEU-UHFFFAOYSA-N 1 0 458.582 2.677 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOCC(F)F)CC1 ZINC001287042364 1062012264 /nfs/dbraw/zinc/01/22/64/1062012264.db2.gz KOZCTFLTBONFDN-UHFFFAOYSA-N 1 0 489.575 2.903 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294463067 1062013235 /nfs/dbraw/zinc/01/32/35/1062013235.db2.gz OIBDHQFLWYFDTB-RTBURBONSA-N 1 0 461.632 2.557 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465985 1062014714 /nfs/dbraw/zinc/01/47/14/1062014714.db2.gz AIOXZKZHQGWMQV-PKTZIBPZSA-N 1 0 489.686 2.933 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294468737 1062018763 /nfs/dbraw/zinc/01/87/63/1062018763.db2.gz PBPAVIWDRMKTDY-RTWAWAEBSA-N 1 0 462.639 2.819 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(C)c2)C1 ZINC001294469076 1062020885 /nfs/dbraw/zinc/02/08/85/1062020885.db2.gz UICNOLMJQXBMMH-FGZHOGPDSA-N 1 0 459.660 2.899 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 ZINC001294469411 1062021811 /nfs/dbraw/zinc/02/18/11/1062021811.db2.gz YSSAAYYLSWZIIF-WZOHSFFVSA-N 1 0 494.681 2.916 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294469723 1062022898 /nfs/dbraw/zinc/02/28/98/1062022898.db2.gz GBSQKETZZDJDKV-RBUKOAKNSA-N 1 0 479.622 2.599 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCC[C@@H]2C)C1 ZINC001294469671 1062023087 /nfs/dbraw/zinc/02/30/87/1062023087.db2.gz DWPINEDLKZETFZ-JXQFQVJHSA-N 1 0 474.675 2.989 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCC[C@H]2C)C1 ZINC001294469670 1062023183 /nfs/dbraw/zinc/02/31/83/1062023183.db2.gz DWPINEDLKZETFZ-IMWIBFENSA-N 1 0 474.675 2.989 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H]2COCCO2)C1 ZINC001294469924 1062023441 /nfs/dbraw/zinc/02/34/41/1062023441.db2.gz ILMJTXDHHYYRIZ-NJYVYQBISA-N 1 0 492.665 2.934 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2c(C)nn(C)c2C)C1 ZINC001294469926 1062023486 /nfs/dbraw/zinc/02/34/86/1062023486.db2.gz IMDOMSTVWXJGLI-LJQANCHMSA-N 1 0 484.674 2.836 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001287045662 1062024793 /nfs/dbraw/zinc/02/47/93/1062024793.db2.gz LTLUELTYCRTJMS-FQEVSTJZSA-N 1 0 460.648 2.542 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCOCC2)C1 ZINC001294470824 1062025117 /nfs/dbraw/zinc/02/51/17/1062025117.db2.gz NINNBCANDULBTC-PWRODBHTSA-N 1 0 463.667 2.906 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294470915 1062025600 /nfs/dbraw/zinc/02/56/00/1062025600.db2.gz FQDOZJAQPJJCKW-NRFANRHFSA-N 1 0 469.634 2.910 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294474158 1062027039 /nfs/dbraw/zinc/02/70/39/1062027039.db2.gz NLKRJIBAEHIHRJ-QZTJIDSGSA-N 1 0 481.613 2.750 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001294476082 1062028359 /nfs/dbraw/zinc/02/83/59/1062028359.db2.gz YZHRGRKHWUHJAL-FPOVZHCZSA-N 1 0 495.594 2.695 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001294476079 1062028411 /nfs/dbraw/zinc/02/84/11/1062028411.db2.gz YZHRGRKHWUHJAL-CTNGQTDRSA-N 1 0 495.594 2.695 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(CCCc3ccccc3)n2CCCn2cc(CO)nn2)CC1 ZINC001287046572 1062029388 /nfs/dbraw/zinc/02/93/88/1062029388.db2.gz UQGJGPMYMBJEFO-UHFFFAOYSA-N 1 0 480.661 2.938 20 0 JFADRO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001287047539 1062032775 /nfs/dbraw/zinc/03/27/75/1062032775.db2.gz IYSHCEMGMTXSMQ-LJQANCHMSA-N 1 0 458.582 2.976 20 0 JFADRO Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC001290306159 1062033476 /nfs/dbraw/zinc/03/34/76/1062033476.db2.gz KFQRHJBEJSIGIZ-MRXNPFEDSA-N 1 0 458.353 2.577 20 0 JFADRO CC1(C)CN(C(=O)CCCc2nnc(-c3ccccc3I)o2)CC[NH2+]1 ZINC001294491045 1062033452 /nfs/dbraw/zinc/03/34/52/1062033452.db2.gz FAUIDXNMYVRWJF-UHFFFAOYSA-N 1 0 454.312 2.874 20 0 JFADRO COc1cccc([C@@H](CNC(=O)c2ccc(OC)c(I)n2)[NH+](C)C)c1 ZINC001290308279 1062034782 /nfs/dbraw/zinc/03/47/82/1062034782.db2.gz DFFVICDMTKITFT-OAHLLOKOSA-N 1 0 455.296 2.736 20 0 JFADRO CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 ZINC001294501888 1062037589 /nfs/dbraw/zinc/03/75/89/1062037589.db2.gz ADTLSPJMBJPISG-SFHVURJKSA-N 1 0 451.995 2.573 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001294504567 1062039843 /nfs/dbraw/zinc/03/98/43/1062039843.db2.gz BIUOZDHNNYIILB-UHFFFAOYSA-N 1 0 453.635 2.963 20 0 JFADRO Cc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)C2)n1 ZINC001290317206 1062040316 /nfs/dbraw/zinc/04/03/16/1062040316.db2.gz DDGHVWHIQKVVFY-PMACEKPBSA-N 1 0 489.690 2.922 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 ZINC001294505166 1062040265 /nfs/dbraw/zinc/04/02/65/1062040265.db2.gz HSGXKAHNUHQAAZ-UHFFFAOYSA-N 1 0 473.647 2.760 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC001294505199 1062040462 /nfs/dbraw/zinc/04/04/62/1062040462.db2.gz IITYATBBGOFOMB-HXUWFJFHSA-N 1 0 462.561 2.678 20 0 JFADRO Cc1csc([C@@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCCCC3)C2)n1 ZINC001290318172 1062042359 /nfs/dbraw/zinc/04/23/59/1062042359.db2.gz JTKKQVOMQVTEGD-RBUKOAKNSA-N 1 0 495.719 2.913 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCC(C(N)=O)CC3)n2CCC[NH+]2CCCC2)C1 ZINC001287049319 1062042417 /nfs/dbraw/zinc/04/24/17/1062042417.db2.gz OVMUUQMMQDZYQP-HXUWFJFHSA-N 1 0 489.665 2.580 20 0 JFADRO C[N@H+](CCCNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001290318948 1062043051 /nfs/dbraw/zinc/04/30/51/1062043051.db2.gz RZNCGATVGMCBAJ-HKBQPEDESA-N 1 0 451.633 2.773 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001294506203 1062043785 /nfs/dbraw/zinc/04/37/85/1062043785.db2.gz HWYSMHXZFCRKJH-CVEARBPZSA-N 1 0 467.368 2.882 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294506275 1062043921 /nfs/dbraw/zinc/04/39/21/1062043921.db2.gz IUHRHKYQVURBIA-UHFFFAOYSA-N 1 0 462.042 2.541 20 0 JFADRO C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001290321088 1062047040 /nfs/dbraw/zinc/04/70/40/1062047040.db2.gz VVQUNLJXUAGZGS-QFIPXVFZSA-N 1 0 451.489 2.920 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001294513085 1062047486 /nfs/dbraw/zinc/04/74/86/1062047486.db2.gz AETMCFCWJKRAPH-UHFFFAOYSA-N 1 0 452.607 2.999 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001294516206 1062052786 /nfs/dbraw/zinc/05/27/86/1062052786.db2.gz OFLZMIOEALAAHJ-LJQANCHMSA-N 1 0 477.654 2.702 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001294516224 1062053202 /nfs/dbraw/zinc/05/32/02/1062053202.db2.gz OZRPYDASBYNDTA-JOCHJYFZSA-N 1 0 481.645 2.668 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294518868 1062054271 /nfs/dbraw/zinc/05/42/71/1062054271.db2.gz AYLVTWZIIHIXNK-VQTJNVASSA-N 1 0 491.681 2.791 20 0 JFADRO CC(C)(C)OC(=O)N1CCC(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCC[NH+]2CCCC2)CC1 ZINC001287052046 1062054525 /nfs/dbraw/zinc/05/45/25/1062054525.db2.gz WVXNSKJFUDZIHL-HXUWFJFHSA-N 1 0 489.665 2.580 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294518942 1062054780 /nfs/dbraw/zinc/05/47/80/1062054780.db2.gz CNAIPZZOCPPQCB-JOCHJYFZSA-N 1 0 491.658 2.926 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCS(=O)CC3)n2CCC[NH+]2CCCCC2)C1 ZINC001287052331 1062055297 /nfs/dbraw/zinc/05/52/97/1062055297.db2.gz GKAHUBJXAQBCCP-FQEVSTJZSA-N 1 0 494.706 2.837 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001294520909 1062056671 /nfs/dbraw/zinc/05/66/71/1062056671.db2.gz BKPXJPQSUSTZSG-HXUWFJFHSA-N 1 0 470.618 2.753 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCc2oncc2C1 ZINC001294521458 1062057185 /nfs/dbraw/zinc/05/71/85/1062057185.db2.gz NIOUXXCJQLWWHJ-LJQANCHMSA-N 1 0 489.621 2.869 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cc2ccccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001294523048 1062059230 /nfs/dbraw/zinc/05/92/30/1062059230.db2.gz QIFCTYLMRKWEGS-UHFFFAOYSA-N 1 0 450.635 2.969 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294524799 1062061709 /nfs/dbraw/zinc/06/17/09/1062061709.db2.gz RCTWGEZIBZWQJV-URXFXBBRSA-N 1 0 467.662 2.666 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294524800 1062061799 /nfs/dbraw/zinc/06/17/99/1062061799.db2.gz RCTWGEZIBZWQJV-XUZZJYLKSA-N 1 0 467.662 2.666 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294526216 1062062550 /nfs/dbraw/zinc/06/25/50/1062062550.db2.gz UGEIWIRUOZBGNR-UHFFFAOYSA-N 1 0 456.591 2.710 20 0 JFADRO CCC[N@H+](CC)CCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294527988 1062063788 /nfs/dbraw/zinc/06/37/88/1062063788.db2.gz RIRBBMXMCBAWKL-DEOSSOPVSA-N 1 0 456.591 2.928 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294527848 1062063908 /nfs/dbraw/zinc/06/39/08/1062063908.db2.gz QBKUJRYDMVXQAA-HXUWFJFHSA-N 1 0 458.632 2.636 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001294529161 1062065598 /nfs/dbraw/zinc/06/55/98/1062065598.db2.gz HSMQTYXIWFNBLK-SFTDATJTSA-N 1 0 497.706 2.672 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001294529572 1062066221 /nfs/dbraw/zinc/06/62/21/1062066221.db2.gz NFBORGVNDAWAKV-OAQYLSRUSA-N 1 0 494.637 2.512 20 0 JFADRO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001290355172 1062066954 /nfs/dbraw/zinc/06/69/54/1062066954.db2.gz YDJHOJARJXRZPT-GOSISDBHSA-N 1 0 488.687 2.872 20 0 JFADRO Cc1csc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)n1 ZINC001290355251 1062067469 /nfs/dbraw/zinc/06/74/69/1062067469.db2.gz YYQRYOIQODIYIO-IEBWSBKVSA-N 1 0 474.679 2.628 20 0 JFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCCOCC2)n1CC[NH+]1CCCCCC1 ZINC001287056153 1062074919 /nfs/dbraw/zinc/07/49/19/1062074919.db2.gz CAEWERHVWGATCC-FQEVSTJZSA-N 1 0 478.638 2.689 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287056257 1062075404 /nfs/dbraw/zinc/07/54/04/1062075404.db2.gz APYJIPRYJBVMAM-LEWJYISDSA-N 1 0 485.633 2.680 20 0 JFADRO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001294552320 1062076504 /nfs/dbraw/zinc/07/65/04/1062076504.db2.gz DSMACFMBJGLQIS-RPWUZVMVSA-N 1 0 455.624 2.905 20 0 JFADRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001290372389 1062076677 /nfs/dbraw/zinc/07/66/77/1062076677.db2.gz MHEPTDZWSXKZBE-DLBZAZTESA-N 1 0 454.017 2.945 20 0 JFADRO CCCN(CCC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001294554786 1062077044 /nfs/dbraw/zinc/07/70/44/1062077044.db2.gz GEWISSSLEONMKE-UHFFFAOYSA-N 1 0 467.622 2.783 20 0 JFADRO CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001287057014 1062079190 /nfs/dbraw/zinc/07/91/90/1062079190.db2.gz NXQNVBPPZXKGFC-MOPGFXCFSA-N 1 0 478.638 2.686 20 0 JFADRO CCC[NH+](CCC)CCCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001294571422 1062084564 /nfs/dbraw/zinc/08/45/64/1062084564.db2.gz DPNGRURAWYOTJK-UHFFFAOYSA-N 1 0 461.655 2.899 20 0 JFADRO CCC[NH+](CCC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 ZINC001294571879 1062084941 /nfs/dbraw/zinc/08/49/41/1062084941.db2.gz FVVMBTNKHWBSAH-FQEVSTJZSA-N 1 0 480.654 2.935 20 0 JFADRO CC(C)(C)OC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287058919 1062087721 /nfs/dbraw/zinc/08/77/21/1062087721.db2.gz OMOQZGOMCMIXCQ-IBGZPJMESA-N 1 0 464.655 2.916 20 0 JFADRO CC(C)(C)OC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001287059190 1062088052 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/nfs/dbraw/zinc/19/10/14/1062191014.db2.gz AYTRLROGTSXMGL-UHFFFAOYSA-N 1 0 489.690 2.712 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C1 ZINC001294650228 1062194464 /nfs/dbraw/zinc/19/44/64/1062194464.db2.gz IKMGGNHBZQNOTK-KRWDZBQOSA-N 1 0 467.540 2.900 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290433148 1062197366 /nfs/dbraw/zinc/19/73/66/1062197366.db2.gz ULOVVENVBWCDFE-UHFFFAOYSA-N 1 0 476.695 2.852 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@@H](OC)C2)C1 ZINC001294651684 1062197979 /nfs/dbraw/zinc/19/79/79/1062197979.db2.gz ZXUMYXDRTIXMMM-PKOBYXMFSA-N 1 0 459.591 2.928 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)c2nccs2)C1 ZINC001294655885 1062200901 /nfs/dbraw/zinc/20/09/01/1062200901.db2.gz DDXDKLJRJYEYNK-OKZBNKHCSA-N 1 0 466.677 2.609 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)C1 ZINC001294655884 1062201189 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/nfs/dbraw/zinc/20/97/66/1062209766.db2.gz DOQIPDROKCILOK-FQEVSTJZSA-N 1 0 453.591 2.629 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290440868 1062210968 /nfs/dbraw/zinc/21/09/68/1062210968.db2.gz YMRCIEVLQUABKZ-APWZRJJASA-N 1 0 477.704 2.518 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CC)nnc2N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 ZINC001294661343 1062211503 /nfs/dbraw/zinc/21/15/03/1062211503.db2.gz LFVDGDMOAXLEMG-NRFANRHFSA-N 1 0 456.610 2.993 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC001294661108 1062211787 /nfs/dbraw/zinc/21/17/87/1062211787.db2.gz ITECOJSIUZCDKR-SFTDATJTSA-N 1 0 492.665 2.506 20 0 JFADRO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C2)no1 ZINC001290441424 1062212325 /nfs/dbraw/zinc/21/23/25/1062212325.db2.gz GUBFFNIQDZIIAB-PMACEKPBSA-N 1 0 472.638 2.687 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294661542 1062212368 /nfs/dbraw/zinc/21/23/68/1062212368.db2.gz QHPOAJCGXMAURD-RBBKRZOGSA-N 1 0 475.037 2.596 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001294661862 1062213647 /nfs/dbraw/zinc/21/36/47/1062213647.db2.gz AQZMFGWNCIVOEC-UHFFFAOYSA-N 1 0 459.664 2.848 20 0 JFADRO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)C2)no1 ZINC001290441951 1062213975 /nfs/dbraw/zinc/21/39/75/1062213975.db2.gz PTXRUWLGTPGIPJ-ZJOUEHCJSA-N 1 0 486.665 2.935 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001294663084 1062214995 /nfs/dbraw/zinc/21/49/95/1062214995.db2.gz QBXRMSJEUUZJJI-IBGZPJMESA-N 1 0 454.619 2.666 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCOCCCO)C1 ZINC001287074070 1062216747 /nfs/dbraw/zinc/21/67/47/1062216747.db2.gz BHKFGOUXJRZUKR-QHAWAJNXSA-N 1 0 492.665 2.512 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001294666151 1062218630 /nfs/dbraw/zinc/21/86/30/1062218630.db2.gz ALEYGXPHIAKPNE-OAQYLSRUSA-N 1 0 491.036 2.584 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001294666353 1062219126 /nfs/dbraw/zinc/21/91/26/1062219126.db2.gz CVZNDFSRFLYEFO-SFHVURJKSA-N 1 0 460.554 2.617 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294666816 1062220458 /nfs/dbraw/zinc/22/04/58/1062220458.db2.gz LNNUDBZKWQCSOJ-IBGZPJMESA-N 1 0 491.658 2.611 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294666817 1062220592 /nfs/dbraw/zinc/22/05/92/1062220592.db2.gz LNNUDBZKWQCSOJ-LJQANCHMSA-N 1 0 491.658 2.611 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001294667289 1062221183 /nfs/dbraw/zinc/22/11/83/1062221183.db2.gz WSMCQKQEBXEZCC-CJFMBICVSA-N 1 0 454.619 2.908 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667537 1062222251 /nfs/dbraw/zinc/22/22/51/1062222251.db2.gz APCIEFTWTNFPNS-FCHUYYIVSA-N 1 0 459.660 2.809 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001294667522 1062222465 /nfs/dbraw/zinc/22/24/65/1062222465.db2.gz AGBFNUSCDOLKJR-OAQYLSRUSA-N 1 0 487.693 2.654 20 0 JFADRO Cc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cs1 ZINC001290447864 1062224703 /nfs/dbraw/zinc/22/47/03/1062224703.db2.gz LVUIWUCYGLHHEF-OAQYLSRUSA-N 1 0 461.680 2.640 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)C1 ZINC001294669366 1062225336 /nfs/dbraw/zinc/22/53/36/1062225336.db2.gz IXPDYHFCBFVJHB-LJQANCHMSA-N 1 0 454.619 2.976 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@H]2C)C1 ZINC001294670301 1062227347 /nfs/dbraw/zinc/22/73/47/1062227347.db2.gz RGJSOQRNZGRDEW-NHCUHLMSSA-N 1 0 454.619 2.873 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294670300 1062227380 /nfs/dbraw/zinc/22/73/80/1062227380.db2.gz RGJSOQRNZGRDEW-LEWJYISDSA-N 1 0 454.619 2.873 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001294670719 1062228759 /nfs/dbraw/zinc/22/87/59/1062228759.db2.gz VMMQRFYHGCAGAD-NRFANRHFSA-N 1 0 454.619 2.989 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294672104 1062231491 /nfs/dbraw/zinc/23/14/91/1062231491.db2.gz YJLJFYLCASGMGE-IFMALSPDSA-N 1 0 475.659 2.911 20 0 JFADRO Cc1nc(CCn2c(-c3ccccc3F)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)n[nH]1 ZINC001290454434 1062232072 /nfs/dbraw/zinc/23/20/72/1062232072.db2.gz PJGKJPSZJXPZQG-UHFFFAOYSA-N 1 0 496.513 2.844 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCCC3=O)c2)CC1 ZINC001294674429 1062233618 /nfs/dbraw/zinc/23/36/18/1062233618.db2.gz HGANWPOLFRRLSD-UHFFFAOYSA-N 1 0 481.645 2.902 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001294674671 1062234226 /nfs/dbraw/zinc/23/42/26/1062234226.db2.gz LZSWEORHYGYNER-XDNAFOTISA-N 1 0 461.529 2.502 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCOc2ccc(Cl)cn2)CC1 ZINC001294674695 1062234467 /nfs/dbraw/zinc/23/44/67/1062234467.db2.gz MUENEDJRDNBIKN-UHFFFAOYSA-N 1 0 464.014 2.854 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001294679646 1062239418 /nfs/dbraw/zinc/23/94/18/1062239418.db2.gz ZVQQCNWTCSDUHQ-UHFFFAOYSA-N 1 0 450.591 2.717 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CC1 ZINC001294682670 1062240804 /nfs/dbraw/zinc/24/08/04/1062240804.db2.gz FYIIXMXJJITKAZ-MRXNPFEDSA-N 1 0 467.586 2.817 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001294682909 1062241353 /nfs/dbraw/zinc/24/13/53/1062241353.db2.gz KNCZEUOGQWAPMY-HXUWFJFHSA-N 1 0 470.618 2.618 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCCO)CC1 ZINC001294682923 1062241414 /nfs/dbraw/zinc/24/14/14/1062241414.db2.gz BOJYGASLJZFZIP-UHFFFAOYSA-N 1 0 467.618 2.665 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001294684116 1062243455 /nfs/dbraw/zinc/24/34/55/1062243455.db2.gz SGVRWYHPSPKSDZ-KRWDZBQOSA-N 1 0 498.600 2.536 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 ZINC001294684183 1062244113 /nfs/dbraw/zinc/24/41/13/1062244113.db2.gz SWQNNHOTLCGXCG-XFSFLGPDSA-N 1 0 461.632 2.870 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2COCCO2)CC1 ZINC001294693867 1062253852 /nfs/dbraw/zinc/25/38/52/1062253852.db2.gz RSUGGESXKJMFCX-JOCHJYFZSA-N 1 0 459.591 2.592 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001294694490 1062254815 /nfs/dbraw/zinc/25/48/15/1062254815.db2.gz UPCXCXUCZUVBMK-VQTJNVASSA-N 1 0 456.639 2.798 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001294694694 1062255300 /nfs/dbraw/zinc/25/53/00/1062255300.db2.gz LMKINDCTDOMJTG-PIBDYAPNSA-N 1 0 476.666 2.845 20 0 JFADRO Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)C)n3CCC[NH+]3CCC(C)CC3)CC2)cs1 ZINC001290468837 1062257244 /nfs/dbraw/zinc/25/72/44/1062257244.db2.gz KALKVGHZALXRDZ-UHFFFAOYSA-N 1 0 495.719 2.799 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC001294696346 1062257815 /nfs/dbraw/zinc/25/78/15/1062257815.db2.gz QTYRYLQFUVJQAJ-LNRXMEIDSA-N 1 0 496.722 2.796 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294697094 1062258720 /nfs/dbraw/zinc/25/87/20/1062258720.db2.gz SZEJONBUMARNFV-MZYLBHOOSA-N 1 0 459.683 2.655 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294698076 1062260195 /nfs/dbraw/zinc/26/01/95/1062260195.db2.gz WQHZATVJTAZRLO-ROMRWMGNSA-N 1 0 459.639 2.871 20 0 JFADRO C[NH+](C)Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)c1 ZINC001290472952 1062262640 /nfs/dbraw/zinc/26/26/40/1062262640.db2.gz JHLFBPFLEYQAFE-OAQYLSRUSA-N 1 0 459.344 2.916 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294699504 1062263505 /nfs/dbraw/zinc/26/35/05/1062263505.db2.gz PYJYZNUTMSIUDB-OAQYLSRUSA-N 1 0 484.645 2.950 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001294700211 1062264800 /nfs/dbraw/zinc/26/48/00/1062264800.db2.gz VOBJQBMTCGOVPQ-IFMALSPDSA-N 1 0 489.690 2.712 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001294700398 1062265851 /nfs/dbraw/zinc/26/58/51/1062265851.db2.gz SEPKCLCLVATTBE-QUCCMNQESA-N 1 0 470.618 2.799 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)s1 ZINC001290477199 1062268693 /nfs/dbraw/zinc/26/86/93/1062268693.db2.gz ZNBWSDIUOXOWKT-DEOSSOPVSA-N 1 0 492.690 2.955 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294707199 1062270971 /nfs/dbraw/zinc/27/09/71/1062270971.db2.gz FEVDWRLQGIEFSU-PZJWPPBQSA-N 1 0 454.619 2.809 20 0 JFADRO Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)s1 ZINC001290482171 1062271795 /nfs/dbraw/zinc/27/17/95/1062271795.db2.gz GIYKLLSMJUNSSY-OAQYLSRUSA-N 1 0 482.658 2.608 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294708015 1062272612 /nfs/dbraw/zinc/27/26/12/1062272612.db2.gz PTOAKOZXUJMEIW-NHCUHLMSSA-N 1 0 463.623 2.896 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294707878 1062272720 /nfs/dbraw/zinc/27/27/20/1062272720.db2.gz BTAWIJKFIBSYRC-PLXFJCCSSA-N 1 0 490.693 2.936 20 0 JFADRO CC(C)(Cn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001287089080 1062274315 /nfs/dbraw/zinc/27/43/15/1062274315.db2.gz WITONBRTSWGIPW-UHFFFAOYSA-N 1 0 474.675 2.975 20 0 JFADRO CC(C)(C)[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287089181 1062274930 /nfs/dbraw/zinc/27/49/30/1062274930.db2.gz RFQQYCBFPHCATH-UJQZNKFNSA-N 1 0 481.066 2.699 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708887 1062276076 /nfs/dbraw/zinc/27/60/76/1062276076.db2.gz SMQYPJUZHFMSKO-UNMCSNQZSA-N 1 0 496.722 2.687 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1 ZINC001294710787 1062278886 /nfs/dbraw/zinc/27/88/86/1062278886.db2.gz MHZKQXAZTLBCRK-FQEVSTJZSA-N 1 0 486.646 2.937 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294712599 1062282702 /nfs/dbraw/zinc/28/27/02/1062282702.db2.gz UPCMXPFUIZUBCR-UYAOXDASSA-N 1 0 487.674 2.591 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001294712706 1062283704 /nfs/dbraw/zinc/28/37/04/1062283704.db2.gz STRWRMIJTHHSFX-VAMGGRTRSA-N 1 0 453.653 2.798 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294713388 1062285420 /nfs/dbraw/zinc/28/54/20/1062285420.db2.gz VTRGGFPRIHCHAC-REHUZNOOSA-N 1 0 463.623 2.584 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294713167 1062285684 /nfs/dbraw/zinc/28/56/84/1062285684.db2.gz UQBKWPFTQHNFRF-KAOXLYBCSA-N 1 0 490.693 2.803 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294713610 1062286853 /nfs/dbraw/zinc/28/68/53/1062286853.db2.gz ZSSVJJXFEFKPAC-PMACEKPBSA-N 1 0 489.665 2.768 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294713612 1062287158 /nfs/dbraw/zinc/28/71/58/1062287158.db2.gz ZSSVJJXFEFKPAC-VQTJNVASSA-N 1 0 489.665 2.768 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294713626 1062287742 /nfs/dbraw/zinc/28/77/42/1062287742.db2.gz ZVJCKRSSLVCNCR-FQEVSTJZSA-N 1 0 459.664 2.957 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294713729 1062288225 /nfs/dbraw/zinc/28/82/25/1062288225.db2.gz ZRBAUSCPEPXHJW-PXDATVDWSA-N 1 0 476.666 2.642 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCC[N@@H+](C)C(C)C)CC2)s1 ZINC001290498831 1062290158 /nfs/dbraw/zinc/29/01/58/1062290158.db2.gz XLHYRYCBKBXEBL-UHFFFAOYSA-N 1 0 497.673 2.743 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1=O ZINC001294719468 1062292745 /nfs/dbraw/zinc/29/27/45/1062292745.db2.gz GEHHRIUZAWGPSL-PXDATVDWSA-N 1 0 476.666 2.643 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001294720124 1062294260 /nfs/dbraw/zinc/29/42/60/1062294260.db2.gz IKZHYECSHWWOLW-RLWLMLJZSA-N 1 0 490.693 2.888 20 0 JFADRO CC(C)(Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001287094501 1062295010 /nfs/dbraw/zinc/29/50/10/1062295010.db2.gz MZBPOVDSCGNZHM-KRWDZBQOSA-N 1 0 456.557 2.857 20 0 JFADRO CC(C)(Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1)C[NH+]1CCCC1 ZINC001287094449 1062295040 /nfs/dbraw/zinc/29/50/40/1062295040.db2.gz MDTASPUBYHBIFG-GOSISDBHSA-N 1 0 458.582 2.820 20 0 JFADRO CC(C)(Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1)C[NH+]1CCCC1 ZINC001287094514 1062295636 /nfs/dbraw/zinc/29/56/36/1062295636.db2.gz WSKSWAQDQVZHCM-OAQYLSRUSA-N 1 0 478.439 2.859 20 0 JFADRO CC(C)(Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001287094992 1062297674 /nfs/dbraw/zinc/29/76/74/1062297674.db2.gz RZQKILPHKHQNGK-UHFFFAOYSA-N 1 0 452.529 2.541 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C)[NH+](C)C)CC1=O ZINC001294722735 1062300593 /nfs/dbraw/zinc/30/05/93/1062300593.db2.gz XIQRNPZDJGDUMP-MRXNPFEDSA-N 1 0 450.534 2.945 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001294724631 1062305065 /nfs/dbraw/zinc/30/50/65/1062305065.db2.gz SNEKWICTFNUTOS-NRFANRHFSA-N 1 0 454.619 2.895 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1=O ZINC001294724580 1062305258 /nfs/dbraw/zinc/30/52/58/1062305258.db2.gz QQCBQNWEWLVTCB-UHFFFAOYSA-N 1 0 467.662 2.728 20 0 JFADRO Cc1nccn1CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001290509068 1062307720 /nfs/dbraw/zinc/30/77/20/1062307720.db2.gz YUFIQJPWBWVGGZ-UHFFFAOYSA-N 1 0 470.666 2.596 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287099701 1062308313 /nfs/dbraw/zinc/30/83/13/1062308313.db2.gz LUXAXBZJYGXLTN-HNNXBMFYSA-N 1 0 482.398 2.776 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCCC2)CC1=O ZINC001294728865 1062309553 /nfs/dbraw/zinc/30/95/53/1062309553.db2.gz BYZQJCNQVVYURM-UHFFFAOYSA-N 1 0 454.623 2.840 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1=O ZINC001294732812 1062313755 /nfs/dbraw/zinc/31/37/55/1062313755.db2.gz HSNYZBJQWNOKFR-JOCHJYFZSA-N 1 0 454.619 2.731 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1=O ZINC001294733027 1062314470 /nfs/dbraw/zinc/31/44/70/1062314470.db2.gz JYOPKBNJDOLWJM-VXKWHMMOSA-N 1 0 460.667 2.989 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccc3C)n2CC[NH+]2CCSCC2)CC1=O ZINC001294734321 1062317782 /nfs/dbraw/zinc/31/77/82/1062317782.db2.gz SYXRICLAKVXKEG-UHFFFAOYSA-N 1 0 456.660 2.675 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[N@H+](CC)C2)CC1=O ZINC001294734492 1062318443 /nfs/dbraw/zinc/31/84/43/1062318443.db2.gz WLRDIWXANKUDCR-GOSISDBHSA-N 1 0 460.573 2.938 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001287108733 1062319886 /nfs/dbraw/zinc/31/98/86/1062319886.db2.gz DIGNEIIRHALTSQ-UXHICEINSA-N 1 0 458.607 2.763 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001287108735 1062320519 /nfs/dbraw/zinc/32/05/19/1062320519.db2.gz DIGNEIIRHALTSQ-WOJBJXKFSA-N 1 0 458.607 2.763 20 0 JFADRO CC[NH+](CC)[C@@H](CNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)c1cccc(OC)c1 ZINC001290522779 1062323519 /nfs/dbraw/zinc/32/35/19/1062323519.db2.gz DHLOQJYGWSTOFG-QFIPXVFZSA-N 1 0 455.555 2.578 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001287110064 1062323734 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/nfs/dbraw/zinc/34/18/39/1062341839.db2.gz IPSUNBVWECLYGH-PKTZIBPZSA-N 1 0 468.646 2.757 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+](C)C)CCC1 ZINC001290541554 1062342075 /nfs/dbraw/zinc/34/20/75/1062342075.db2.gz HOSWKEQNPZREIG-UHFFFAOYSA-N 1 0 485.658 2.820 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1[C@@H]1CCCO1 ZINC001294754190 1062343185 /nfs/dbraw/zinc/34/31/85/1062343185.db2.gz OHOWXXHTFZMWBN-WOZUAGRISA-N 1 0 453.624 2.534 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC ZINC001294754707 1062344443 /nfs/dbraw/zinc/34/44/43/1062344443.db2.gz HLZYOTPWODZMRL-SFTDATJTSA-N 1 0 475.659 2.742 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001294755570 1062345907 /nfs/dbraw/zinc/34/59/07/1062345907.db2.gz PDULJOSYMHFJNL-XDNAFOTISA-N 1 0 459.607 2.782 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001294757451 1062348020 /nfs/dbraw/zinc/34/80/20/1062348020.db2.gz MCNMODORVAFJRM-NRFANRHFSA-N 1 0 453.635 2.833 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCCCC2)CC1 ZINC001287117297 1062351311 /nfs/dbraw/zinc/35/13/11/1062351311.db2.gz SRPGQXIEFDOVMP-UHFFFAOYSA-N 1 0 460.573 2.938 20 0 JFADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)c4ccccc43)cn2)CC1 ZINC001290549652 1062352886 /nfs/dbraw/zinc/35/28/86/1062352886.db2.gz VGVQEEFQUHWEPJ-FQEVSTJZSA-N 1 0 451.571 2.989 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001290550882 1062353657 /nfs/dbraw/zinc/35/36/57/1062353657.db2.gz VTJHGTSYFVQLJK-GOSISDBHSA-N 1 0 456.639 2.509 20 0 JFADRO CCCn1nc(-c2nnc(N(C)C[C@H](C)CC)n2C[C@@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001294765904 1062357172 /nfs/dbraw/zinc/35/71/72/1062357172.db2.gz ZHUCXTBQDILRAA-IQGLISFBSA-N 1 0 467.618 2.614 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC[C@H](OC)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294766600 1062359730 /nfs/dbraw/zinc/35/97/30/1062359730.db2.gz DBZFJQVSPLRFFM-MSOLQXFVSA-N 1 0 453.591 2.630 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001287119675 1062360193 /nfs/dbraw/zinc/36/01/93/1062360193.db2.gz BTEKNDPTEVWZCF-QFIPXVFZSA-N 1 0 470.666 2.930 20 0 JFADRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001290561944 1062362544 /nfs/dbraw/zinc/36/25/44/1062362544.db2.gz ISQYTBCCSCJKHO-GOSISDBHSA-N 1 0 459.534 2.945 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001287120465 1062363403 /nfs/dbraw/zinc/36/34/03/1062363403.db2.gz MCDSVPPOVZJFBH-IBGZPJMESA-N 1 0 456.639 2.684 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001290563296 1062365665 /nfs/dbraw/zinc/36/56/65/1062365665.db2.gz MABJHJSBHAMWPF-NHCUHLMSSA-N 1 0 486.709 2.648 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001290563820 1062366150 /nfs/dbraw/zinc/36/61/50/1062366150.db2.gz KSORULKALWKKNR-WOJBJXKFSA-N 1 0 486.709 2.962 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001290565968 1062368187 /nfs/dbraw/zinc/36/81/87/1062368187.db2.gz WZBQXANLKSIPIK-HXUWFJFHSA-N 1 0 486.709 2.508 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001287121870 1062369344 /nfs/dbraw/zinc/36/93/44/1062369344.db2.gz ISEUQTJVHQJDHP-UHFFFAOYSA-N 1 0 488.702 2.907 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001287121913 1062370101 /nfs/dbraw/zinc/37/01/01/1062370101.db2.gz KDSDXUPYPKVCCY-GMAHTHKFSA-N 1 0 495.672 2.806 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCSCC2)CC1 ZINC001287122268 1062371936 /nfs/dbraw/zinc/37/19/36/1062371936.db2.gz OLFPUXXWSNSLFW-UHFFFAOYSA-N 1 0 462.689 2.720 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](F)COC)c2ccccc2c1=O ZINC001294771941 1062372173 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/nfs/dbraw/zinc/55/11/19/1062551119.db2.gz RXRGUZGEOHZKBW-HXUWFJFHSA-N 1 0 499.056 2.940 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCS(=O)CC3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001290653911 1062552931 /nfs/dbraw/zinc/55/29/31/1062552931.db2.gz KSGXPCZQDVHVEJ-HXUWFJFHSA-N 1 0 469.659 2.619 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001287158714 1062553054 /nfs/dbraw/zinc/55/30/54/1062553054.db2.gz UVCKQRSWCXTADL-APWZRJJASA-N 1 0 492.466 2.833 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N1CCOCC1 ZINC001287159174 1062554781 /nfs/dbraw/zinc/55/47/81/1062554781.db2.gz BKAJPGMPMDVBSJ-QFIPXVFZSA-N 1 0 455.651 2.541 20 0 JFADRO C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1=O ZINC001294852850 1062554903 /nfs/dbraw/zinc/55/49/03/1062554903.db2.gz MZBCYRBKRWLLTG-RUZDIDTESA-N 1 0 450.539 2.957 20 0 JFADRO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001287159290 1062555546 /nfs/dbraw/zinc/55/55/46/1062555546.db2.gz YLVNKUMCDKAMQV-IBGZPJMESA-N 1 0 485.599 2.709 20 0 JFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC001290655416 1062555639 /nfs/dbraw/zinc/55/56/39/1062555639.db2.gz VRXRSUOYXTUKNT-NRFANRHFSA-N 1 0 458.603 2.915 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287160418 1062559948 /nfs/dbraw/zinc/55/99/48/1062559948.db2.gz DNBCFAJAOGOEJC-BJLQDIEVSA-N 1 0 470.622 2.957 20 0 JFADRO CCCNC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001294862686 1062569587 /nfs/dbraw/zinc/56/95/87/1062569587.db2.gz GDDOYUSESQXJJD-QFIPXVFZSA-N 1 0 497.688 2.563 20 0 JFADRO CC(C)[C@@H](Cn1c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001287164374 1062573827 /nfs/dbraw/zinc/57/38/27/1062573827.db2.gz JZTUGBFTGLMPBX-XMMPIXPASA-N 1 0 489.753 2.927 20 0 JFADRO Cc1nnc([C@H]2CN(c3nnc([C@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001290673542 1062583496 /nfs/dbraw/zinc/58/34/96/1062583496.db2.gz KZFLKLOUFRBGCJ-VQTJNVASSA-N 1 0 461.611 2.950 20 0 JFADRO CC(C)c1nc([C@H]2CCCN(c3nnc(-c4cccn4C)n3CCOCC[NH+](C)C)C2)no1 ZINC001287170170 1062585519 /nfs/dbraw/zinc/58/55/19/1062585519.db2.gz YQCBIFHPQCGVAY-SFHVURJKSA-N 1 0 456.595 2.752 20 0 JFADRO CC(C)c1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287173400 1062595581 /nfs/dbraw/zinc/59/55/81/1062595581.db2.gz BZJGBOFFCHQZKK-NRFANRHFSA-N 1 0 489.734 2.999 20 0 JFADRO CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC(=O)NC1CCCCC1 ZINC001287178724 1062602126 /nfs/dbraw/zinc/60/21/26/1062602126.db2.gz KMQCWVDPUGHQAE-UHFFFAOYSA-N 1 0 456.639 2.648 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001294887565 1062606774 /nfs/dbraw/zinc/60/67/74/1062606774.db2.gz LSMSOVROWWPBPD-UHFFFAOYSA-N 1 0 497.047 2.778 20 0 JFADRO CC(C)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287181733 1062607763 /nfs/dbraw/zinc/60/77/63/1062607763.db2.gz VALAFKSDIRIRBL-HXUWFJFHSA-N 1 0 480.617 2.629 20 0 JFADRO Cc1nnc(CCn2c(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)nnc2C(C)(C)C)s1 ZINC001290691544 1062611108 /nfs/dbraw/zinc/61/11/08/1062611108.db2.gz HGYMNBGMBZLNEM-LJQANCHMSA-N 1 0 455.632 2.834 20 0 JFADRO CC(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001287196555 1062629444 /nfs/dbraw/zinc/62/94/44/1062629444.db2.gz MPYOHKLCPXUYQS-UHFFFAOYSA-N 1 0 468.646 2.888 20 0 JFADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001287200898 1062640592 /nfs/dbraw/zinc/64/05/92/1062640592.db2.gz JSGSKFBLSTWIIM-FLASPHMUSA-N 1 0 472.703 2.933 20 0 JFADRO Cc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001290710066 1062642778 /nfs/dbraw/zinc/64/27/78/1062642778.db2.gz UMBNTTBZMLIXJW-GOSISDBHSA-N 1 0 460.627 2.639 20 0 JFADRO CCCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001294904853 1062642916 /nfs/dbraw/zinc/64/29/16/1062642916.db2.gz UMZOOUBKWUKCFQ-NRFANRHFSA-N 1 0 456.591 2.627 20 0 JFADRO Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC(=O)Nc1ccc(F)cc1 ZINC001290737506 1062659137 /nfs/dbraw/zinc/65/91/37/1062659137.db2.gz MIFQTURHJDSUCC-HTAPYJJXSA-N 1 0 454.554 2.617 20 0 JFADRO CCCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001294911561 1062664814 /nfs/dbraw/zinc/66/48/14/1062664814.db2.gz CEIQXVMAPAHZAR-QHCPKHFHSA-N 1 0 497.688 2.605 20 0 JFADRO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290746374 1062664982 /nfs/dbraw/zinc/66/49/82/1062664982.db2.gz QWLHURJHSNQOHQ-INIZCTEOSA-N 1 0 472.453 2.766 20 0 JFADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287212147 1062666079 /nfs/dbraw/zinc/66/60/79/1062666079.db2.gz MNGSQOOOZOFJMB-JOCHJYFZSA-N 1 0 460.667 2.867 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001287213211 1062670409 /nfs/dbraw/zinc/67/04/09/1062670409.db2.gz ZASLVQKYJAMPJS-MOPGFXCFSA-N 1 0 457.627 2.588 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001287213388 1062671749 /nfs/dbraw/zinc/67/17/49/1062671749.db2.gz FLXMXQFOCYIMMO-QFIPXVFZSA-N 1 0 475.659 2.543 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OC(F)F ZINC001287213920 1062674995 /nfs/dbraw/zinc/67/49/95/1062674995.db2.gz HJHSQBGYZIFKFA-SFHVURJKSA-N 1 0 462.545 2.794 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287215231 1062683945 /nfs/dbraw/zinc/68/39/45/1062683945.db2.gz XNRWPKMTCJBTNU-UHFFFAOYSA-N 1 0 473.710 2.904 20 0 JFADRO CC(C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001287215347 1062684075 /nfs/dbraw/zinc/68/40/75/1062684075.db2.gz ADDVGNVZKTXRNI-QFIPXVFZSA-N 1 0 453.635 2.626 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001287215489 1062685132 /nfs/dbraw/zinc/68/51/32/1062685132.db2.gz FSNFQTHSBYLGDU-SFHVURJKSA-N 1 0 450.628 2.958 20 0 JFADRO CN1CC[NH+](CCCCNC(=O)c2c(Cl)ccc(I)c2F)CC1 ZINC001290771040 1062688615 /nfs/dbraw/zinc/68/86/15/1062688615.db2.gz JZJFKNVFDDKZMO-UHFFFAOYSA-N 1 0 453.727 2.841 20 0 JFADRO Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001290771547 1062689507 /nfs/dbraw/zinc/68/95/07/1062689507.db2.gz HJKYZVCJXCAKEP-VOIUYBSRSA-N 1 0 453.591 2.530 20 0 JFADRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290782263 1062693105 /nfs/dbraw/zinc/69/31/05/1062693105.db2.gz OOVPVIWAKRRGHC-HKUYNNGSSA-N 1 0 459.450 2.889 20 0 JFADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001287220028 1062703339 /nfs/dbraw/zinc/70/33/39/1062703339.db2.gz RHTRCIRNCLQPIO-UHFFFAOYSA-N 1 0 499.679 2.894 20 0 JFADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001287220359 1062704044 /nfs/dbraw/zinc/70/40/44/1062704044.db2.gz UKPKVWGCSHCQKB-UHFFFAOYSA-N 1 0 461.699 2.507 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290801568 1062706124 /nfs/dbraw/zinc/70/61/24/1062706124.db2.gz NXSWUZGLGLLXSU-QZTJIDSGSA-N 1 0 458.582 2.624 20 0 JFADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001290807945 1062709927 /nfs/dbraw/zinc/70/99/27/1062709927.db2.gz AGLFTXVUGIEEDH-SFHVURJKSA-N 1 0 463.586 2.649 20 0 JFADRO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCNc1ccccn1 ZINC001287223571 1062710028 /nfs/dbraw/zinc/71/00/28/1062710028.db2.gz NLORSWGJJBUDAT-JOCHJYFZSA-N 1 0 470.666 2.530 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC4(COC(=O)N4)CC3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294933884 1062710157 /nfs/dbraw/zinc/71/01/57/1062710157.db2.gz OYJSQIMZDUFESD-QGZVFWFLSA-N 1 0 472.590 2.771 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001287223729 1062710982 /nfs/dbraw/zinc/71/09/82/1062710982.db2.gz OMLISRQANNYGLL-PMACEKPBSA-N 1 0 468.650 2.935 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001287223728 1062711009 /nfs/dbraw/zinc/71/10/09/1062711009.db2.gz OMLISRQANNYGLL-BGYRXZFFSA-N 1 0 468.650 2.935 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2CC[NH+]2CCCC2)cc1OC ZINC001294935023 1062712726 /nfs/dbraw/zinc/71/27/26/1062712726.db2.gz WHURQQFHYFGRAS-UHFFFAOYSA-N 1 0 470.618 2.943 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001287225340 1062713742 /nfs/dbraw/zinc/71/37/42/1062713742.db2.gz YVPSBJPFEFZJKK-WOJBJXKFSA-N 1 0 457.671 2.791 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001290824892 1062719119 /nfs/dbraw/zinc/71/91/19/1062719119.db2.gz RYLMBHKHYUPYNR-LEWJYISDSA-N 1 0 464.655 2.907 20 0 JFADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc(-c4cccnc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001287230835 1062719083 /nfs/dbraw/zinc/71/90/83/1062719083.db2.gz MIFMERIINPHCHF-QZTJIDSGSA-N 1 0 453.595 2.680 20 0 JFADRO CC(C)c1noc([C@H](C)N2CCN(c3nnc(-c4cccnc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001287230837 1062719168 /nfs/dbraw/zinc/71/91/68/1062719168.db2.gz MIFMERIINPHCHF-ROUUACIJSA-N 1 0 453.595 2.680 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C(=O)NCC)CC3)n2CC[NH+]2CCCC2)cc1OC ZINC001294939403 1062719472 /nfs/dbraw/zinc/71/94/72/1062719472.db2.gz QQSNHXFBNPINFY-UHFFFAOYSA-N 1 0 485.633 2.690 20 0 JFADRO CC(C)c1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1CC(=O)NCC(F)(F)F ZINC001287231306 1062720252 /nfs/dbraw/zinc/72/02/52/1062720252.db2.gz KCVUHINZLLRLDX-HDICACEKSA-N 1 0 450.509 2.648 20 0 JFADRO CC(C)[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287232175 1062722660 /nfs/dbraw/zinc/72/26/60/1062722660.db2.gz NPXQKTKHFCLGGU-VQTJNVASSA-N 1 0 474.675 2.989 20 0 JFADRO CC(C)c1noc([C@H](C)N2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001287232697 1062724514 /nfs/dbraw/zinc/72/45/14/1062724514.db2.gz WFDNUSNFKHRJKV-RBUKOAKNSA-N 1 0 460.627 2.859 20 0 JFADRO Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290833060 1062725371 /nfs/dbraw/zinc/72/53/71/1062725371.db2.gz INTKMTCVFMJSHF-FGZHOGPDSA-N 1 0 466.696 2.928 20 0 JFADRO Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001290833063 1062725763 /nfs/dbraw/zinc/72/57/63/1062725763.db2.gz INTKMTCVFMJSHF-YADHBBJMSA-N 1 0 466.696 2.928 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294940991 1062726621 /nfs/dbraw/zinc/72/66/21/1062726621.db2.gz VXSKXKLXWYYBQR-HKUYNNGSSA-N 1 0 456.591 2.504 20 0 JFADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001290834193 1062726830 /nfs/dbraw/zinc/72/68/30/1062726830.db2.gz VLXXYTVKNMFQJH-HARLFGEKSA-N 1 0 466.696 2.928 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294941286 1062727922 /nfs/dbraw/zinc/72/79/22/1062727922.db2.gz YTVMJEMAGMYBCA-BXKMTCNYSA-N 1 0 472.590 2.724 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCC[NH+]2CCC(O)CC2)cc1OC ZINC001294947681 1062732651 /nfs/dbraw/zinc/73/26/51/1062732651.db2.gz TYUNMGRSSYRKMX-LJQANCHMSA-N 1 0 473.618 2.814 20 0 JFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC001290846541 1062732931 /nfs/dbraw/zinc/73/29/31/1062732931.db2.gz FELYUEQAVKYXLE-ZXJYCPGTSA-N 1 0 455.580 2.616 20 0 JFADRO Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001290868230 1062750937 /nfs/dbraw/zinc/75/09/37/1062750937.db2.gz VPDMEXKXIHHKFM-MRXNPFEDSA-N 1 0 468.524 2.855 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290868417 1062751442 /nfs/dbraw/zinc/75/14/42/1062751442.db2.gz XTALMUVETCGOND-DEOSSOPVSA-N 1 0 485.652 2.942 20 0 JFADRO CCCOc1ccc(Cn2c(N3CC[N@H+](CC)[C@@H](C)C3)nnc2[C@@]2(OCC)CCOC2)cn1 ZINC001294971982 1062754057 /nfs/dbraw/zinc/75/40/57/1062754057.db2.gz QCQLOHRQJMIOQR-YADARESESA-N 1 0 458.607 2.693 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290869979 1062754635 /nfs/dbraw/zinc/75/46/35/1062754635.db2.gz NVMPMQOYNIDXIC-WUMKDDEVSA-N 1 0 485.652 2.845 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001290870015 1062755049 /nfs/dbraw/zinc/75/50/49/1062755049.db2.gz OSSOFRPEIZKCBO-VABKMULXSA-N 1 0 473.710 2.868 20 0 JFADRO CCCOc1cccc(CCn2c(C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001294972881 1062755903 /nfs/dbraw/zinc/75/59/03/1062755903.db2.gz OJQBKKXTEZZHKX-CPJSRVTESA-N 1 0 468.646 2.997 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290870778 1062756902 /nfs/dbraw/zinc/75/69/02/1062756902.db2.gz XJEQXCQIWRYCQB-HXUWFJFHSA-N 1 0 459.683 2.668 20 0 JFADRO COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001294973436 1062756956 /nfs/dbraw/zinc/75/69/56/1062756956.db2.gz HBNYGGJGTPEQMG-UHFFFAOYSA-N 1 0 456.934 2.781 20 0 JFADRO Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290872045 1062758426 /nfs/dbraw/zinc/75/84/26/1062758426.db2.gz PXVVLBCUIQEUGV-RBUKOAKNSA-N 1 0 465.568 2.870 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001287284435 1062758848 /nfs/dbraw/zinc/75/88/48/1062758848.db2.gz XMSUIPJZHNGNDX-UXHICEINSA-N 1 0 459.664 2.794 20 0 JFADRO Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001290876350 1062760418 /nfs/dbraw/zinc/76/04/18/1062760418.db2.gz MILKIBXQINGKON-UHFFFAOYSA-N 1 0 454.497 2.520 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287286696 1062760471 /nfs/dbraw/zinc/76/04/71/1062760471.db2.gz IGJBGCWMSWAXOX-AQNXPRMDSA-N 1 0 469.721 2.878 20 0 JFADRO Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001290875939 1062760732 /nfs/dbraw/zinc/76/07/32/1062760732.db2.gz HYJCSHYSELTMFE-UHFFFAOYSA-N 1 0 496.460 2.598 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001290878625 1062763191 /nfs/dbraw/zinc/76/31/91/1062763191.db2.gz IHHXBVARQFAYNB-QFIPXVFZSA-N 1 0 478.638 2.747 20 0 JFADRO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCCC[NH+]1CCCCC1 ZINC001290887346 1062766217 /nfs/dbraw/zinc/76/62/17/1062766217.db2.gz KOTVSKLPAUHNLJ-HXUWFJFHSA-N 1 0 450.628 2.973 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290887569 1062766963 /nfs/dbraw/zinc/76/69/63/1062766963.db2.gz FYSCZKBQYOTWGG-XLIONFOSSA-N 1 0 464.408 2.774 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290888365 1062767077 /nfs/dbraw/zinc/76/70/77/1062767077.db2.gz UBKDIDZVNGYPNA-HXUWFJFHSA-N 1 0 455.563 2.660 20 0 JFADRO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001290888604 1062767655 /nfs/dbraw/zinc/76/76/55/1062767655.db2.gz WXSWAJQLXXNFFY-NQIIRXRSSA-N 1 0 458.607 2.837 20 0 JFADRO Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290900593 1062772866 /nfs/dbraw/zinc/77/28/66/1062772866.db2.gz QFHXVWWYGJSNEZ-PCCBWWKXSA-N 1 0 462.639 2.683 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290902562 1062775934 /nfs/dbraw/zinc/77/59/34/1062775934.db2.gz LXGOTUIXICVRFC-FHWLQOOXSA-N 1 0 474.654 2.864 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)[NH+](C)C ZINC001287318482 1062789169 /nfs/dbraw/zinc/78/91/69/1062789169.db2.gz BOZUUVDDQYIJEV-QGZVFWFLSA-N 1 0 493.056 2.884 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+](C)C ZINC001287318488 1062789754 /nfs/dbraw/zinc/78/97/54/1062789754.db2.gz BTXPYEVYZOZZQW-HXUWFJFHSA-N 1 0 491.644 2.925 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287318499 1062789775 /nfs/dbraw/zinc/78/97/75/1062789775.db2.gz BWAJQOXFLNLYEV-VXKWHMMOSA-N 1 0 455.651 2.726 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccs2)CC1)[NH+](C)C ZINC001287319522 1062792414 /nfs/dbraw/zinc/79/24/14/1062792414.db2.gz LZHPBECKZINGCR-LJQANCHMSA-N 1 0 459.664 2.879 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320937 1062796279 /nfs/dbraw/zinc/79/62/79/1062796279.db2.gz YSJHKLLINUULQZ-AQNXPRMDSA-N 1 0 491.681 2.840 20 0 JFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC001290920990 1062796651 /nfs/dbraw/zinc/79/66/51/1062796651.db2.gz RBOZMEXXJDTBGA-UHFFFAOYSA-N 1 0 455.502 2.658 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1)[NH+](C)C ZINC001287321033 1062797365 /nfs/dbraw/zinc/79/73/65/1062797365.db2.gz ZQZMQRKTDUYYCQ-HXUWFJFHSA-N 1 0 484.649 2.643 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290921841 1062797669 /nfs/dbraw/zinc/79/76/69/1062797669.db2.gz RGQFGKPLUDJKGX-LJQANCHMSA-N 1 0 494.644 2.868 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC001287321405 1062797967 /nfs/dbraw/zinc/79/79/67/1062797967.db2.gz GQTOKARHHRMWSV-GFOJFJKKSA-N 1 0 480.654 2.807 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001287321695 1062799244 /nfs/dbraw/zinc/79/92/44/1062799244.db2.gz LGAVDKONZXTUFQ-UXHICEINSA-N 1 0 485.658 2.935 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(F)(F)F)[NH+](C)C ZINC001287322213 1062800274 /nfs/dbraw/zinc/80/02/74/1062800274.db2.gz NZIIEYZWSUPOLF-KRWDZBQOSA-N 1 0 451.501 2.896 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCC[NH+](C)C ZINC001290925752 1062801523 /nfs/dbraw/zinc/80/15/23/1062801523.db2.gz PYFXUJZNYJRVTC-UHFFFAOYSA-N 1 0 480.411 2.866 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001287327866 1062801653 /nfs/dbraw/zinc/80/16/53/1062801653.db2.gz CDMRZEWHSLNSJD-ROUUACIJSA-N 1 0 466.627 2.531 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287328563 1062802704 /nfs/dbraw/zinc/80/27/04/1062802704.db2.gz HSMIUHYGCRIQOY-YADHBBJMSA-N 1 0 484.693 2.773 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328692 1062803263 /nfs/dbraw/zinc/80/32/63/1062803263.db2.gz KPENHPHVOQNZCQ-GHTZIAJQSA-N 1 0 485.608 2.827 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+](C)C ZINC001287328788 1062803918 /nfs/dbraw/zinc/80/39/18/1062803918.db2.gz MIQNNQHHDNFEKU-KRWDZBQOSA-N 1 0 482.555 2.606 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295014618 1062804611 /nfs/dbraw/zinc/80/46/11/1062804611.db2.gz DSWHZLMJPBEWSU-VWPQPMDRSA-N 1 0 496.722 2.938 20 0 JFADRO CC(C)C[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[NH+](C)C ZINC001287329933 1062806697 /nfs/dbraw/zinc/80/66/97/1062806697.db2.gz IICFVIOTULVUPY-MQSCRBSSSA-N 1 0 473.710 2.758 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001287329893 1062806725 /nfs/dbraw/zinc/80/67/25/1062806725.db2.gz ZJQRGQKTFDBSRD-JOCHJYFZSA-N 1 0 476.629 2.742 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)[NH+](C)C ZINC001287330964 1062807543 /nfs/dbraw/zinc/80/75/43/1062807543.db2.gz OBTHFGOLGIFBIP-FCHUYYIVSA-N 1 0 487.693 2.871 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001287330937 1062807625 /nfs/dbraw/zinc/80/76/25/1062807625.db2.gz NGEVEYRNGIACAQ-KZNAEPCWSA-N 1 0 474.572 2.653 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(F)cc(F)cc2C1)[NH+](C)C ZINC001287331031 1062808075 /nfs/dbraw/zinc/80/80/75/1062808075.db2.gz DJGCLVZEXQEQHZ-VQIMIIECSA-N 1 0 481.613 2.997 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001287331170 1062808295 /nfs/dbraw/zinc/80/82/95/1062808295.db2.gz FDXSUQUJBCKDKM-SFTDATJTSA-N 1 0 457.598 2.540 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287331022 1062808365 /nfs/dbraw/zinc/80/83/65/1062808365.db2.gz DGTJYAGOSPHPRS-FQEVSTJZSA-N 1 0 487.674 2.506 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1)[NH+](C)C ZINC001287333214 1062810614 /nfs/dbraw/zinc/81/06/14/1062810614.db2.gz MVNBBDOJMNFXQH-JTHBVZDNSA-N 1 0 483.661 2.519 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001295015730 1062810823 /nfs/dbraw/zinc/81/08/23/1062810823.db2.gz ZWLAJXBILQQGGG-QFIPXVFZSA-N 1 0 489.690 2.903 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001287338179 1062815006 /nfs/dbraw/zinc/81/50/06/1062815006.db2.gz CFACCQKEFZQGEU-OALUTQOASA-N 1 0 477.654 2.653 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001287338178 1062815072 /nfs/dbraw/zinc/81/50/72/1062815072.db2.gz CFACCQKEFZQGEU-MOPGFXCFSA-N 1 0 477.654 2.653 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001287338011 1062815218 /nfs/dbraw/zinc/81/52/18/1062815218.db2.gz ANZADMBCPLOLJY-RQTOMXEWSA-N 1 0 489.665 2.606 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1)[NH+](C)C ZINC001287338366 1062815569 /nfs/dbraw/zinc/81/55/69/1062815569.db2.gz FZRZMVOLXZMCKA-PKTZIBPZSA-N 1 0 468.646 2.825 20 0 JFADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCc2c(cc[nH]c2=O)C1)[NH+](C)C ZINC001287339458 1062817041 /nfs/dbraw/zinc/81/70/41/1062817041.db2.gz VZTYTNHWMCUJRX-GOSISDBHSA-N 1 0 483.642 2.909 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339347 1062817163 /nfs/dbraw/zinc/81/71/63/1062817163.db2.gz UMNUXMWACZYOEB-RTBURBONSA-N 1 0 456.701 2.660 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339377 1062817183 /nfs/dbraw/zinc/81/71/83/1062817183.db2.gz UWJDZSFYOLHHJZ-NHCUHLMSSA-N 1 0 461.699 2.685 20 0 JFADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)[NH+](C)C ZINC001287339535 1062817730 /nfs/dbraw/zinc/81/77/30/1062817730.db2.gz WVDRZEICYRAAEE-IECBHUPTSA-N 1 0 490.674 2.630 20 0 JFADRO COc1cc(OC)cc(N2CC[C@H](CNC(=O)c3cccc(CN4CC[NH+](C)CC4)c3)C2)c1 ZINC001295019586 1062818837 /nfs/dbraw/zinc/81/88/37/1062818837.db2.gz JJVZYWJOCLBJQW-OAQYLSRUSA-N 1 0 452.599 2.708 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)C2)n1 ZINC001290944805 1062819769 /nfs/dbraw/zinc/81/97/69/1062819769.db2.gz YPVOYKTXZGRDHG-ICSRJNTNSA-N 1 0 484.580 2.934 20 0 JFADRO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001287355293 1062825740 /nfs/dbraw/zinc/82/57/40/1062825740.db2.gz FORIKQNACZWLHG-FQEVSTJZSA-N 1 0 458.607 2.592 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC[NH+]1CCSCC1 ZINC001287363315 1062829709 /nfs/dbraw/zinc/82/97/09/1062829709.db2.gz FEVJIPBOQYIOMW-UHFFFAOYSA-N 1 0 451.662 2.565 20 0 JFADRO CCN1C(=O)c2ccc(C(=O)NCCC3CC[NH+](Cc4ccccc4)CC3)cc2S1(=O)=O ZINC001287390745 1062839804 /nfs/dbraw/zinc/83/98/04/1062839804.db2.gz ALFPFLOEIUFIDT-UHFFFAOYSA-N 1 0 455.580 2.883 20 0 JFADRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc(S(=O)(=O)CC)ccc3Cl)cn2)CC1 ZINC001290966913 1062841147 /nfs/dbraw/zinc/84/11/47/1062841147.db2.gz FVTVFMFMSWCHFL-UHFFFAOYSA-N 1 0 450.992 2.601 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001287403012 1062845698 /nfs/dbraw/zinc/84/56/98/1062845698.db2.gz ILPFGBNNLGRJKL-VWLOTQADSA-N 1 0 473.666 2.803 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001295047534 1062850504 /nfs/dbraw/zinc/85/05/04/1062850504.db2.gz XFEMAUWSARBGSS-LJQANCHMSA-N 1 0 489.665 2.834 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001295047972 1062851161 /nfs/dbraw/zinc/85/11/61/1062851161.db2.gz BZMYGGYPZYEUDQ-QWFCFKBJSA-N 1 0 472.638 2.997 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287413486 1062852090 /nfs/dbraw/zinc/85/20/90/1062852090.db2.gz LUNVKWQSTOJSHY-OAQYLSRUSA-N 1 0 480.654 2.684 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287414430 1062854115 /nfs/dbraw/zinc/85/41/15/1062854115.db2.gz ZDZUEBVXQLZTJX-LJQANCHMSA-N 1 0 468.693 2.607 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@](C)(O)c1ccccc1 ZINC001287417635 1062855163 /nfs/dbraw/zinc/85/51/63/1062855163.db2.gz CEQSBWPIZCTAHU-BVAGGSTKSA-N 1 0 454.663 2.989 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001290976231 1062855745 /nfs/dbraw/zinc/85/57/45/1062855745.db2.gz OMEREPJKSJYHQA-PBHICJAKSA-N 1 0 490.406 2.609 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCSCC1 ZINC001290976532 1062857996 /nfs/dbraw/zinc/85/79/96/1062857996.db2.gz RTUHCZPRIAFNQN-CQSZACIVSA-N 1 0 497.438 2.562 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001287419543 1062859212 /nfs/dbraw/zinc/85/92/12/1062859212.db2.gz CYBJDOOLLNKIOY-IBGZPJMESA-N 1 0 450.628 2.692 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287420420 1062859716 /nfs/dbraw/zinc/85/97/16/1062859716.db2.gz QNCGYRDTGLNOFZ-BKMJKUGQSA-N 1 0 486.636 2.656 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001287420414 1062859865 /nfs/dbraw/zinc/85/98/65/1062859865.db2.gz QGFDAYFJULUJNQ-UHFFFAOYSA-N 1 0 454.685 2.507 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001295057543 1062863989 /nfs/dbraw/zinc/86/39/89/1062863989.db2.gz CJRSVOHQFYQLLD-IBGZPJMESA-N 1 0 486.617 2.514 20 0 JFADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001287427768 1062866928 /nfs/dbraw/zinc/86/69/28/1062866928.db2.gz SSBPGHPFIVTPMO-HKBQPEDESA-N 1 0 451.681 2.859 20 0 JFADRO CC(C)Cc1nnc(N2CCC3(CCN(C)C3=O)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287430710 1062868232 /nfs/dbraw/zinc/86/82/32/1062868232.db2.gz UFTSZCMWUYJBND-UHFFFAOYSA-N 1 0 468.646 2.914 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](C(=O)NCC3CC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001287438052 1062871817 /nfs/dbraw/zinc/87/18/17/1062871817.db2.gz SCDCQGXEDNEOGO-FCHUYYIVSA-N 1 0 460.667 2.576 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001295061726 1062873626 /nfs/dbraw/zinc/87/36/26/1062873626.db2.gz BSSUZEITQXOJEY-UHFFFAOYSA-N 1 0 490.052 2.801 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001295062516 1062877331 /nfs/dbraw/zinc/87/73/31/1062877331.db2.gz RAXSNSDWXHTNTE-QGZVFWFLSA-N 1 0 479.000 2.765 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287443721 1062879033 /nfs/dbraw/zinc/87/90/33/1062879033.db2.gz XTEPTEAKFMRUPK-HBMCJLEFSA-N 1 0 482.739 2.999 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287445495 1062880025 /nfs/dbraw/zinc/88/00/25/1062880025.db2.gz AUIPWUIEDIDNCS-RTWAWAEBSA-N 1 0 489.709 2.550 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001287448545 1062884229 /nfs/dbraw/zinc/88/42/29/1062884229.db2.gz VTFKDXBMNPRQRD-PZJWPPBQSA-N 1 0 479.633 2.529 20 0 JFADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[NH+](C)C ZINC001290990591 1062884425 /nfs/dbraw/zinc/88/44/25/1062884425.db2.gz VGAICRVZJHBIKL-YPAWHYETSA-N 1 0 499.679 2.585 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001287448547 1062884844 /nfs/dbraw/zinc/88/48/44/1062884844.db2.gz VTFKDXBMNPRQRD-TZIWHRDSSA-N 1 0 479.633 2.529 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290996267 1062888681 /nfs/dbraw/zinc/88/86/81/1062888681.db2.gz CLVLCJLZHPMBGV-SVFBPWRDSA-N 1 0 487.693 2.727 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3F)CC2)n1CCOCC[NH+](C)C ZINC001287454311 1062888976 /nfs/dbraw/zinc/88/89/76/1062888976.db2.gz ONLFEJHYTKFDMX-UHFFFAOYSA-N 1 0 460.598 2.546 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287454407 1062889678 /nfs/dbraw/zinc/88/96/78/1062889678.db2.gz QBQHNWUNGBRJFE-UHFFFAOYSA-N 1 0 499.679 2.994 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001290997831 1062890021 /nfs/dbraw/zinc/89/00/21/1062890021.db2.gz NBQUESZUOFTGPJ-AQNXPRMDSA-N 1 0 453.635 2.687 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001295069986 1062890899 /nfs/dbraw/zinc/89/08/99/1062890899.db2.gz MZTQKHUPMDEHJF-UHFFFAOYSA-N 1 0 453.616 2.553 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCCOc1ccccc1 ZINC001287462204 1062901135 /nfs/dbraw/zinc/90/11/35/1062901135.db2.gz JUEBDHYZUKLICH-QFIPXVFZSA-N 1 0 454.619 2.689 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001287462881 1062904153 /nfs/dbraw/zinc/90/41/53/1062904153.db2.gz UDZGBHUBVPNJJD-OAQYLSRUSA-N 1 0 460.573 2.740 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291009595 1062907025 /nfs/dbraw/zinc/90/70/25/1062907025.db2.gz IIDHFLODWSZAEC-SZPZYZBQSA-N 1 0 468.646 2.998 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(-c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291009596 1062907197 /nfs/dbraw/zinc/90/71/97/1062907197.db2.gz IIDHFLODWSZAEC-VXKWHMMOSA-N 1 0 468.646 2.998 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287464474 1062908392 /nfs/dbraw/zinc/90/83/92/1062908392.db2.gz BYDSZBVYLAUYBS-JOCHJYFZSA-N 1 0 452.669 2.971 20 0 JFADRO CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291011048 1062910905 /nfs/dbraw/zinc/91/09/05/1062910905.db2.gz DWDDIKOZGLFUHU-QZTZHPFYSA-N 1 0 459.639 2.584 20 0 JFADRO CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291011046 1062911101 /nfs/dbraw/zinc/91/11/01/1062911101.db2.gz DWDDIKOZGLFUHU-GGUMNFRJSA-N 1 0 459.639 2.584 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011284 1062911907 /nfs/dbraw/zinc/91/19/07/1062911907.db2.gz IJWBQBHNBACGGN-BBWFWOEESA-N 1 0 492.612 2.955 20 0 JFADRO CCN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001295081247 1062913158 /nfs/dbraw/zinc/91/31/58/1062913158.db2.gz WKCGIWCZMSHGJH-HXUWFJFHSA-N 1 0 454.619 2.689 20 0 JFADRO CC(C)OC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012112 1062914754 /nfs/dbraw/zinc/91/47/54/1062914754.db2.gz USGSLNZKTWNYHW-HSALFYBXSA-N 1 0 484.711 2.650 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001295083696 1062915799 /nfs/dbraw/zinc/91/57/99/1062915799.db2.gz JYKOSEXJNKLISC-UHFFFAOYSA-N 1 0 491.434 2.772 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)C2)C1 ZINC001291012297 1062916635 /nfs/dbraw/zinc/91/66/35/1062916635.db2.gz XFVIQMYHXDSWGH-ROUUACIJSA-N 1 0 460.573 2.841 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001295083950 1062916903 /nfs/dbraw/zinc/91/69/03/1062916903.db2.gz IATXYKMUCDCZBB-UHFFFAOYSA-N 1 0 470.618 2.799 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291012711 1062918253 /nfs/dbraw/zinc/91/82/53/1062918253.db2.gz DCMPWCBXOPDOGK-KURKYZTESA-N 1 0 496.582 2.551 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001295084464 1062919641 /nfs/dbraw/zinc/91/96/41/1062919641.db2.gz RXEHUPLSBXIIOZ-HSZRJFAPSA-N 1 0 497.688 2.557 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291013593 1062921098 /nfs/dbraw/zinc/92/10/98/1062921098.db2.gz PCBYGBUWBUCGGD-OALUTQOASA-N 1 0 460.648 2.722 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287471972 1062921348 /nfs/dbraw/zinc/92/13/48/1062921348.db2.gz QLLSMZWMRVWYKN-PMACEKPBSA-N 1 0 459.614 2.837 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287475723 1062926026 /nfs/dbraw/zinc/92/60/26/1062926026.db2.gz YRVQDMYBRWYGAQ-HXUWFJFHSA-N 1 0 459.614 2.574 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001291015764 1062926500 /nfs/dbraw/zinc/92/65/00/1062926500.db2.gz VUZUKVCPWCGYFZ-GUDVDZBRSA-N 1 0 460.648 2.863 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001291015704 1062926776 /nfs/dbraw/zinc/92/67/76/1062926776.db2.gz VGXYAOYQISZPOH-NSHGMRRFSA-N 1 0 465.689 2.922 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001291018438 1062932915 /nfs/dbraw/zinc/93/29/15/1062932915.db2.gz GIXMLXSBEABKNE-YUVXSKOASA-N 1 0 454.619 2.783 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC[NH+]1CCCCC1 ZINC001287477151 1062933932 /nfs/dbraw/zinc/93/39/32/1062933932.db2.gz USGUUJVGXUQDGE-XZOQPEGZSA-N 1 0 473.710 2.779 20 0 JFADRO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1CCCC[NH+]1CCOCC1 ZINC001295109635 1062934083 /nfs/dbraw/zinc/93/40/83/1062934083.db2.gz GUYOOUCOBVBHPS-UHFFFAOYSA-N 1 0 453.591 2.804 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCOCC1CCOCC1 ZINC001287477506 1062934505 /nfs/dbraw/zinc/93/45/05/1062934505.db2.gz ZVMUCWZUWYFKDQ-NRFANRHFSA-N 1 0 463.667 2.999 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CC(F)(F)CO1 ZINC001287481849 1062937700 /nfs/dbraw/zinc/93/77/00/1062937700.db2.gz JHCPBBWQLJGDIF-MRXNPFEDSA-N 1 0 469.499 2.992 20 0 JFADRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC001295120326 1062938064 /nfs/dbraw/zinc/93/80/64/1062938064.db2.gz XZRSYWOZEADRRT-QFIPXVFZSA-N 1 0 453.974 2.853 20 0 JFADRO 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455.669 2.550 20 0 JFADRO C[C@@H]1CCC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001291068191 1063016029 /nfs/dbraw/zinc/01/60/29/1063016029.db2.gz KNCSAXQAJNOPOT-IRLDBZIGSA-N 1 0 459.683 2.803 20 0 JFADRO CCN(c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295195522 1063016047 /nfs/dbraw/zinc/01/60/47/1063016047.db2.gz HLKDKZUGTMQPSO-WMZOPIPTSA-N 1 0 458.588 2.564 20 0 JFADRO CC(C)CCOC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287638495 1063017224 /nfs/dbraw/zinc/01/72/24/1063017224.db2.gz DJQHYCYOWBWFRQ-DEOSSOPVSA-N 1 0 478.707 2.983 20 0 JFADRO CC(C)CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001287653012 1063025003 /nfs/dbraw/zinc/02/50/03/1063025003.db2.gz GNYQLAFMGCYGJD-SFTDATJTSA-N 1 0 467.680 2.698 20 0 JFADRO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)CC2)C1 ZINC001291076357 1063025257 /nfs/dbraw/zinc/02/52/57/1063025257.db2.gz NWVUEIMNVUJXMX-YADHBBJMSA-N 1 0 498.720 2.688 20 0 JFADRO CCN(c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC001295215915 1063028921 /nfs/dbraw/zinc/02/89/21/1063028921.db2.gz CFCGRWBYGGDSAA-LEWJYISDSA-N 1 0 492.665 2.812 20 0 JFADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC001295215922 1063029554 /nfs/dbraw/zinc/02/95/54/1063029554.db2.gz CFCGRWBYGGDSAA-SFTDATJTSA-N 1 0 492.665 2.812 20 0 JFADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@H+](C)C(C)C)C1CCCCC1 ZINC001295217052 1063033058 /nfs/dbraw/zinc/03/30/58/1063033058.db2.gz LQGYXAKNOJOAAF-FQEVSTJZSA-N 1 0 470.684 2.500 20 0 JFADRO CC(C)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001287672084 1063034209 /nfs/dbraw/zinc/03/42/09/1063034209.db2.gz BNEGYYUTICZZHT-UHFFFAOYSA-N 1 0 463.026 2.801 20 0 JFADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC001295220214 1063038935 /nfs/dbraw/zinc/03/89/35/1063038935.db2.gz VBNVAWRFFMMLAX-UXHICEINSA-N 1 0 470.684 2.500 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693572 1063040045 /nfs/dbraw/zinc/04/00/45/1063040045.db2.gz MXKJLYVKWQJUDE-NVXWUHKLSA-N 1 0 455.360 2.923 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001287695030 1063040983 /nfs/dbraw/zinc/04/09/83/1063040983.db2.gz VCMKSAPGTBGANV-UYAOXDASSA-N 1 0 458.580 2.506 20 0 JFADRO CCC[C@H]1CN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)CC[N@@H+]1CCOC ZINC001295222776 1063042741 /nfs/dbraw/zinc/04/27/41/1063042741.db2.gz CTPLHGXPTHNVAR-VQTJNVASSA-N 1 0 454.409 2.976 20 0 JFADRO CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C(C)C)[NH+]1CCCC1)C(C)C ZINC001287705880 1063042845 /nfs/dbraw/zinc/04/28/45/1063042845.db2.gz DYEINKNXHYGYMP-RTWAWAEBSA-N 1 0 484.711 2.602 20 0 JFADRO CCN(c1nnc(Cc2ccccc2C)n1CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226246 1063045829 /nfs/dbraw/zinc/04/58/29/1063045829.db2.gz UCWVQLGFOFQCQL-KNQAVFIVSA-N 1 0 459.660 2.923 20 0 JFADRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 ZINC001295228898 1063051028 /nfs/dbraw/zinc/05/10/28/1063051028.db2.gz YDZBWPLQVOAZRS-GOSISDBHSA-N 1 0 451.633 2.608 20 0 JFADRO CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229817 1063052628 /nfs/dbraw/zinc/05/26/28/1063052628.db2.gz SPAARASTJCYUHG-IRLDBZIGSA-N 1 0 474.675 2.645 20 0 JFADRO CC(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001287729784 1063052757 /nfs/dbraw/zinc/05/27/57/1063052757.db2.gz WYEUEIHNISEIJK-PSWAGMNNSA-N 1 0 483.705 2.844 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095505 1063054735 /nfs/dbraw/zinc/05/47/35/1063054735.db2.gz MUDSTHANYCKFGE-UXHICEINSA-N 1 0 470.666 2.932 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095504 1063054841 /nfs/dbraw/zinc/05/48/41/1063054841.db2.gz MUDSTHANYCKFGE-PMACEKPBSA-N 1 0 470.666 2.932 20 0 JFADRO CC(C)[NH+](CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C(C)C ZINC001291095477 1063054889 /nfs/dbraw/zinc/05/48/89/1063054889.db2.gz MFQZEUKLWHVUGO-QHCPKHFHSA-N 1 0 496.704 2.982 20 0 JFADRO C[C@@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001291095784 1063055633 /nfs/dbraw/zinc/05/56/33/1063055633.db2.gz SMPZPKUSIJZJGK-FLFXDLLNSA-N 1 0 462.639 2.742 20 0 JFADRO CC(C)CN1C[C@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCC[N@H+](C)C(C)C)CCN2C1=O ZINC001287733769 1063057115 /nfs/dbraw/zinc/05/71/15/1063057115.db2.gz QJGAXTMPLLQJEK-RTWAWAEBSA-N 1 0 461.655 2.832 20 0 JFADRO CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295236204 1063057192 /nfs/dbraw/zinc/05/71/92/1063057192.db2.gz HKKZTLJNFNWPBF-PKOBYXMFSA-N 1 0 451.662 2.676 20 0 JFADRO CC(C)CN1C[C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCC[N@H+](C)C(C)C)CCN2C1=O ZINC001287733770 1063057176 /nfs/dbraw/zinc/05/71/76/1063057176.db2.gz QJGAXTMPLLQJEK-SFTDATJTSA-N 1 0 461.655 2.832 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291096656 1063057613 /nfs/dbraw/zinc/05/76/13/1063057613.db2.gz IPFNTXDTGHKCDY-RBUKOAKNSA-N 1 0 494.644 2.547 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 ZINC001291096867 1063058784 /nfs/dbraw/zinc/05/87/84/1063058784.db2.gz LWNGCZCXMRNJCD-ICSRJNTNSA-N 1 0 475.588 2.736 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 ZINC001291096868 1063058823 /nfs/dbraw/zinc/05/88/23/1063058823.db2.gz LWNGCZCXMRNJCD-QUCCMNQESA-N 1 0 475.588 2.736 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096888 1063058866 /nfs/dbraw/zinc/05/88/66/1063058866.db2.gz MLOIGNVNOVBHRR-HKUYNNGSSA-N 1 0 468.593 2.992 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(O)cc3)CC2)C1 ZINC001287734194 1063059565 /nfs/dbraw/zinc/05/95/65/1063059565.db2.gz ZVYVXFVWPQTJKJ-OAQYLSRUSA-N 1 0 483.661 2.817 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001291097718 1063060908 /nfs/dbraw/zinc/06/09/08/1063060908.db2.gz AJGHHWDIUUAIFX-NRFANRHFSA-N 1 0 461.699 2.732 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)C1 ZINC001287738051 1063061191 /nfs/dbraw/zinc/06/11/91/1063061191.db2.gz MYAUYDKKLSSYSD-WCIQWLHISA-N 1 0 454.685 2.739 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738557 1063061795 /nfs/dbraw/zinc/06/17/95/1063061795.db2.gz PDHSOXZIADQBGC-UXHICEINSA-N 1 0 467.680 2.554 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001287738228 1063061837 /nfs/dbraw/zinc/06/18/37/1063061837.db2.gz NUDZPLCVPNFGAH-WOJBJXKFSA-N 1 0 475.659 2.942 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001287738480 1063061878 /nfs/dbraw/zinc/06/18/78/1063061878.db2.gz OMDRHZCGUYNKEB-LEWJYISDSA-N 1 0 468.650 2.844 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CC(F)(F)C2)C1 ZINC001287739247 1063062432 /nfs/dbraw/zinc/06/24/32/1063062432.db2.gz RMYZLQORDKCQBY-SJORKVTESA-N 1 0 476.638 2.738 20 0 JFADRO CCN(c1nnc(CN2CCCC2=O)n1Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)C ZINC001295243864 1063063007 /nfs/dbraw/zinc/06/30/07/1063063007.db2.gz HMUICANHHRIDMN-UHFFFAOYSA-N 1 0 454.619 2.640 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 ZINC001291099012 1063063622 /nfs/dbraw/zinc/06/36/22/1063063622.db2.gz ZUEUOXIASKIGGW-NRFANRHFSA-N 1 0 454.619 2.778 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCSC(C)(C)C2)C1 ZINC001287739944 1063063988 /nfs/dbraw/zinc/06/39/88/1063063988.db2.gz TZQFJLBYUZUECY-MSOLQXFVSA-N 1 0 472.725 2.588 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291099233 1063064372 /nfs/dbraw/zinc/06/43/72/1063064372.db2.gz DGBCHFMPDBFOHR-PKOBYXMFSA-N 1 0 451.662 2.818 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001291099383 1063065432 /nfs/dbraw/zinc/06/54/32/1063065432.db2.gz GCPBZSMZMCEFFW-LJQANCHMSA-N 1 0 462.639 2.500 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291099597 1063066072 /nfs/dbraw/zinc/06/60/72/1063066072.db2.gz KEPUWQUQEOHVNY-OALUTQOASA-N 1 0 458.582 2.962 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291099400 1063066246 /nfs/dbraw/zinc/06/62/46/1063066246.db2.gz GPOORTHJSLRJIE-IBGZPJMESA-N 1 0 492.665 2.791 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001287740799 1063067077 /nfs/dbraw/zinc/06/70/77/1063067077.db2.gz GYNNGDNXNYCGNI-QFIPXVFZSA-N 1 0 487.718 2.509 20 0 JFADRO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)[C@H](C)C1=O ZINC001287741648 1063068031 /nfs/dbraw/zinc/06/80/31/1063068031.db2.gz NFTDLOIEVGLZBK-UXHICEINSA-N 1 0 485.633 2.540 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287742064 1063068849 /nfs/dbraw/zinc/06/88/49/1063068849.db2.gz LRWGVMLORCUUHY-AZUAARDMSA-N 1 0 453.653 2.511 20 0 JFADRO CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1=O ZINC001287742515 1063069954 /nfs/dbraw/zinc/06/99/54/1063069954.db2.gz USNMWONKHGLZEC-FQEVSTJZSA-N 1 0 496.660 2.883 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccc(F)cc2)CC1 ZINC001287743013 1063070240 /nfs/dbraw/zinc/07/02/40/1063070240.db2.gz RJTKHLRJUNPIGM-LJQANCHMSA-N 1 0 458.582 2.899 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(F)c(F)c2)CC1 ZINC001287742838 1063070485 /nfs/dbraw/zinc/07/04/85/1063070485.db2.gz YWCHBYUQIJRVCO-UHFFFAOYSA-N 1 0 462.545 2.649 20 0 JFADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)[NH+](C)C ZINC001291101433 1063072187 /nfs/dbraw/zinc/07/21/87/1063072187.db2.gz TXJLSDOMBUXOBU-WOJBJXKFSA-N 1 0 453.635 2.689 20 0 JFADRO CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1=O ZINC001287748694 1063072593 /nfs/dbraw/zinc/07/25/93/1063072593.db2.gz BQCQTPXVQZCSCN-GJZUVCINSA-N 1 0 490.693 2.745 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ccc(F)cn2)CC1 ZINC001287749071 1063073284 /nfs/dbraw/zinc/07/32/84/1063073284.db2.gz DHNPPKQDZSPJKL-UHFFFAOYSA-N 1 0 472.590 2.709 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)C1 ZINC001291101785 1063073869 /nfs/dbraw/zinc/07/38/69/1063073869.db2.gz BHQHKNRRKOBSRZ-SFHVURJKSA-N 1 0 473.666 2.898 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001287749610 1063073907 /nfs/dbraw/zinc/07/39/07/1063073907.db2.gz GRVSVFQUHOJFRY-UHFFFAOYSA-N 1 0 480.455 2.976 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)cc2)CC1 ZINC001287749607 1063074009 /nfs/dbraw/zinc/07/40/09/1063074009.db2.gz ORZMDJDCFKGONL-KRWDZBQOSA-N 1 0 469.055 2.562 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2COCCO2)CC1 ZINC001287749244 1063074108 /nfs/dbraw/zinc/07/41/08/1063074108.db2.gz GBPBZVBBNJPREE-IBGZPJMESA-N 1 0 451.518 2.740 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)CC1 ZINC001287749846 1063074455 /nfs/dbraw/zinc/07/44/55/1063074455.db2.gz JJVYFFNIRTWHOU-RUZDIDTESA-N 1 0 471.650 2.606 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001287749848 1063074495 /nfs/dbraw/zinc/07/44/95/1063074495.db2.gz QKJKRRDVPLUQBS-XEVCZEQESA-N 1 0 484.711 2.650 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CCCCC2)CC1 ZINC001287749917 1063074640 /nfs/dbraw/zinc/07/46/40/1063074640.db2.gz KEBDAWMFNURRGK-UHFFFAOYSA-N 1 0 475.659 2.822 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2OC(C)C)CC1 ZINC001287751160 1063076576 /nfs/dbraw/zinc/07/65/76/1063076576.db2.gz WRZMQJUZBUZRCM-IBGZPJMESA-N 1 0 478.663 2.502 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001287751643 1063078141 /nfs/dbraw/zinc/07/81/41/1063078141.db2.gz YCQLYXSEJLWHGD-TZIWHRDSSA-N 1 0 477.679 2.501 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001287751650 1063078457 /nfs/dbraw/zinc/07/84/57/1063078457.db2.gz YCRPHENRZOLGSR-HOYKHHGWSA-N 1 0 458.582 2.814 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001287751659 1063078891 /nfs/dbraw/zinc/07/88/91/1063078891.db2.gz YCRPHENRZOLGSR-UUOWRZLLSA-N 1 0 458.582 2.814 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001287752261 1063080197 /nfs/dbraw/zinc/08/01/97/1063080197.db2.gz WUBGGFBIAAVXEB-VQTJNVASSA-N 1 0 475.659 2.942 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103356 1063080895 /nfs/dbraw/zinc/08/08/95/1063080895.db2.gz CGKCCXMXRUNHRR-RTWAWAEBSA-N 1 0 495.672 2.560 20 0 JFADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103840 1063081469 /nfs/dbraw/zinc/08/14/69/1063081469.db2.gz LMPXGOADTQWLKF-MOPGFXCFSA-N 1 0 482.633 2.528 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103962 1063082471 /nfs/dbraw/zinc/08/24/71/1063082471.db2.gz MUTJEBQNYZYFSG-NCXUSEDFSA-N 1 0 455.669 2.898 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291103991 1063082832 /nfs/dbraw/zinc/08/28/32/1063082832.db2.gz NGKIZBBCLNOLOT-QGZVFWFLSA-N 1 0 460.573 2.936 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104281 1063083434 /nfs/dbraw/zinc/08/34/34/1063083434.db2.gz RUQJUCWYJJUMJL-UXHICEINSA-N 1 0 469.634 2.569 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104386 1063084279 /nfs/dbraw/zinc/08/42/79/1063084279.db2.gz TVUKLUUVCIWDQB-QRVBRYPASA-N 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C[C@@H]1CCC[N@H+](CCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291127226 1063161058 /nfs/dbraw/zinc/16/10/58/1063161058.db2.gz AMSOTPBWCRZHDD-MOPGFXCFSA-N 1 0 470.622 2.961 20 0 JFADRO C[C@H]1CCC[N@H+](CCn2c(-c3ccc4ccccc4n3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291127215 1063161244 /nfs/dbraw/zinc/16/12/44/1063161244.db2.gz AJRHEAIKAMVXMS-SFHVURJKSA-N 1 0 456.616 2.706 20 0 JFADRO CCN(CC)C(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1 ZINC001295303092 1063161896 /nfs/dbraw/zinc/16/18/96/1063161896.db2.gz QNXZEDIYVJWZBH-LEWJYISDSA-N 1 0 495.672 2.963 20 0 JFADRO CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291127789 1063162078 /nfs/dbraw/zinc/16/20/78/1063162078.db2.gz MHMXHWHMAFERQL-LJQANCHMSA-N 1 0 454.623 2.550 20 0 JFADRO C[C@H]1CCC[N@H+](CCn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)C1 ZINC001291128284 1063163214 /nfs/dbraw/zinc/16/32/14/1063163214.db2.gz UNAXMFYNGQBQHV-HNNXBMFYSA-N 1 0 463.508 2.922 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001291128674 1063165313 /nfs/dbraw/zinc/16/53/13/1063165313.db2.gz AQSKQNKHWDWGMS-AABGKKOBSA-N 1 0 462.639 2.960 20 0 JFADRO C[C@H]1CCC[N@H+](CCn2c(Cc3ccc(Cl)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291129030 1063167663 /nfs/dbraw/zinc/16/76/63/1063167663.db2.gz HKNDWFAZXPYXPC-IBGZPJMESA-N 1 0 495.093 2.726 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291129348 1063169828 /nfs/dbraw/zinc/16/98/28/1063169828.db2.gz MQLVYIUHRZFSFD-IRXDYDNUSA-N 1 0 469.602 2.748 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001291129353 1063170721 /nfs/dbraw/zinc/17/07/21/1063170721.db2.gz MRPVDLLXRKCNGK-JTHBVZDNSA-N 1 0 467.662 2.984 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291129581 1063173457 /nfs/dbraw/zinc/17/34/57/1063173457.db2.gz REJGICJQYGEAEL-NHCUHLMSSA-N 1 0 487.693 2.510 20 0 JFADRO CCN(CC)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001295307329 1063174470 /nfs/dbraw/zinc/17/44/70/1063174470.db2.gz JTGQJYGTBCVXFX-UHFFFAOYSA-N 1 0 475.682 2.721 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c(CCc3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291129969 1063175297 /nfs/dbraw/zinc/17/52/97/1063175297.db2.gz XZDTVTIWJHIJHA-OAQYLSRUSA-N 1 0 488.702 2.655 20 0 JFADRO C[C@@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291135821 1063188975 /nfs/dbraw/zinc/18/89/75/1063188975.db2.gz KPECHQIBXVEDCD-NQIIRXRSSA-N 1 0 458.582 2.928 20 0 JFADRO C[C@H]1CCCN1c1nnc(COc2ccc(F)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291135822 1063188987 /nfs/dbraw/zinc/18/89/87/1063188987.db2.gz KPECHQIBXVEDCD-RXVVDRJESA-N 1 0 458.582 2.928 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001291136390 1063192045 /nfs/dbraw/zinc/19/20/45/1063192045.db2.gz VVHUBUMWQVTVCK-KRWDZBQOSA-N 1 0 474.009 2.727 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2F)nnc1N(C)CC(=O)N1CCOCC1 ZINC001291136736 1063193329 /nfs/dbraw/zinc/19/33/29/1063193329.db2.gz CRIFMIAJGRTHJD-INIZCTEOSA-N 1 0 464.973 2.517 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001291137147 1063194400 /nfs/dbraw/zinc/19/44/00/1063194400.db2.gz LLEZVSDUSACLMW-ZDUSSCGKSA-N 1 0 458.451 2.822 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001291138000 1063198706 /nfs/dbraw/zinc/19/87/06/1063198706.db2.gz BFCYKAGXXPVKIH-MOPGFXCFSA-N 1 0 454.619 2.951 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291137959 1063199055 /nfs/dbraw/zinc/19/90/55/1063199055.db2.gz AHSNTBPQTQPBAK-UNMCSNQZSA-N 1 0 459.660 2.951 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(COc2ccc(Br)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291138959 1063201850 /nfs/dbraw/zinc/20/18/50/1063201850.db2.gz UCKXZUJFFJKXKX-IAGOWNOFSA-N 1 0 491.434 2.806 20 0 JFADRO CCN(CC)C(=O)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295322680 1063205145 /nfs/dbraw/zinc/20/51/45/1063205145.db2.gz CVZGGQMLUUBVEK-KNQAVFIVSA-N 1 0 470.618 2.970 20 0 JFADRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295323768 1063206923 /nfs/dbraw/zinc/20/69/23/1063206923.db2.gz TVUXQSSIOYCAIJ-AEFFLSMTSA-N 1 0 459.597 2.697 20 0 JFADRO CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001295323446 1063207175 /nfs/dbraw/zinc/20/71/75/1063207175.db2.gz FPLQZPTXZKECRE-RTWAWAEBSA-N 1 0 476.666 2.510 20 0 JFADRO CC(C)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001291140602 1063210271 /nfs/dbraw/zinc/21/02/71/1063210271.db2.gz AWMJRNIFPCCHDT-AABGKKOBSA-N 1 0 454.685 2.881 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140670 1063210802 /nfs/dbraw/zinc/21/08/02/1063210802.db2.gz BYOBPLQQQBPZSL-PMACEKPBSA-N 1 0 491.681 2.982 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140959 1063212480 /nfs/dbraw/zinc/21/24/80/1063212480.db2.gz HANNVJOSHSELOE-GGAORHGYSA-N 1 0 484.645 2.821 20 0 JFADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291140985 1063212821 /nfs/dbraw/zinc/21/28/21/1063212821.db2.gz HMGNZJOLTABGLI-HXUWFJFHSA-N 1 0 496.660 2.741 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141461 1063215159 /nfs/dbraw/zinc/21/51/59/1063215159.db2.gz NYYOILHTSGCGJX-GJZGRUSLSA-N 1 0 466.428 2.856 20 0 JFADRO CC(C)c1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141928 1063217225 /nfs/dbraw/zinc/21/72/25/1063217225.db2.gz VOYLZBLVHIXDKG-FQEVSTJZSA-N 1 0 470.666 2.902 20 0 JFADRO CC(C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141904 1063217250 /nfs/dbraw/zinc/21/72/50/1063217250.db2.gz VDRMMVUHOJPEAR-FCHUYYIVSA-N 1 0 459.683 2.655 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295326919 1063218766 /nfs/dbraw/zinc/21/87/66/1063218766.db2.gz GNPAKYPFZWDMSR-GOTSBHOMSA-N 1 0 498.720 2.785 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291142320 1063219650 /nfs/dbraw/zinc/21/96/50/1063219650.db2.gz CBHPSZGDJLQJLF-GOSISDBHSA-N 1 0 456.591 2.755 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291142435 1063219728 /nfs/dbraw/zinc/21/97/28/1063219728.db2.gz DUQOKTSZBZNGJX-QGZVFWFLSA-N 1 0 496.582 2.694 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291142775 1063220170 /nfs/dbraw/zinc/22/01/70/1063220170.db2.gz LCKFETWRKVAKFT-QZTJIDSGSA-N 1 0 468.572 2.872 20 0 JFADRO C[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142971 1063220774 /nfs/dbraw/zinc/22/07/74/1063220774.db2.gz ONCNNSNQPMIGNH-ZWKOTPCHSA-N 1 0 481.567 2.909 20 0 JFADRO C[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)Cc1ncnn1CC(F)F)[NH+]1CCC(C)CC1 ZINC001291143771 1063222754 /nfs/dbraw/zinc/22/27/54/1063222754.db2.gz BWZCTSPWDLZTRI-SFHVURJKSA-N 1 0 473.576 2.877 20 0 JFADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143797 1063223416 /nfs/dbraw/zinc/22/34/16/1063223416.db2.gz CREBCPURUORSHV-QHAWAJNXSA-N 1 0 492.665 2.632 20 0 JFADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1cnn(C)c1)[NH+]1CCC(C)CC1 ZINC001291143780 1063223496 /nfs/dbraw/zinc/22/34/96/1063223496.db2.gz CDWMLAAWADJHJF-GOSISDBHSA-N 1 0 470.647 2.760 20 0 JFADRO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291143834 1063223790 /nfs/dbraw/zinc/22/37/90/1063223790.db2.gz DCPGGYVCZQBAEB-GOSISDBHSA-N 1 0 495.644 2.777 20 0 JFADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144337 1063225443 /nfs/dbraw/zinc/22/54/43/1063225443.db2.gz NBCKMUGIJDUWQH-QYZOEREBSA-N 1 0 458.573 2.975 20 0 JFADRO C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144587 1063225997 /nfs/dbraw/zinc/22/59/97/1063225997.db2.gz RAPYPPXZFJUTBX-UYAOXDASSA-N 1 0 463.623 2.752 20 0 JFADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144624 1063227020 /nfs/dbraw/zinc/22/70/20/1063227020.db2.gz RQJCOJXXAMSRNH-RBBKRZOGSA-N 1 0 474.675 2.788 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295328970 1063227702 /nfs/dbraw/zinc/22/77/02/1063227702.db2.gz NQPJLZHRNAIVAG-HXUWFJFHSA-N 1 0 459.639 2.678 20 0 JFADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291145013 1063228020 /nfs/dbraw/zinc/22/80/20/1063228020.db2.gz ZDMNXQKGWVLDCG-LJQANCHMSA-N 1 0 485.599 2.595 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001291145963 1063229584 /nfs/dbraw/zinc/22/95/84/1063229584.db2.gz TVVSRUFYFPKTAX-NRFANRHFSA-N 1 0 495.672 2.920 20 0 JFADRO C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291146068 1063230227 /nfs/dbraw/zinc/23/02/27/1063230227.db2.gz WKOWFQNHZZMWGH-VAMGGRTRSA-N 1 0 453.653 2.654 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001291147043 1063232570 /nfs/dbraw/zinc/23/25/70/1063232570.db2.gz PRTQGNPXQZAVQO-NQIIRXRSSA-N 1 0 475.037 2.945 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295337511 1063263200 /nfs/dbraw/zinc/26/32/00/1063263200.db2.gz GZTLHOURJLYQPB-PKTZIBPZSA-N 1 0 489.709 2.632 20 0 JFADRO CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001291175239 1063263395 /nfs/dbraw/zinc/26/33/95/1063263395.db2.gz CVGIIJKEUMWTLT-UHFFFAOYSA-N 1 0 473.691 2.780 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338039 1063264782 /nfs/dbraw/zinc/26/47/82/1063264782.db2.gz GUJDRBNVMGKBEN-IVZQSRNASA-N 1 0 452.958 2.730 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179758 1063269010 /nfs/dbraw/zinc/26/90/10/1063269010.db2.gz MDZQGZPVGCYKSR-NRFANRHFSA-N 1 0 496.722 2.797 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CCCS3(=O)=O)C2)CC1 ZINC001291179787 1063269408 /nfs/dbraw/zinc/26/94/08/1063269408.db2.gz MQOFRXXMFBDGGB-NRFANRHFSA-N 1 0 480.723 2.851 20 0 JFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001295342271 1063270298 /nfs/dbraw/zinc/27/02/98/1063270298.db2.gz JCNKUQDZGLGNPH-XDHUDOTRSA-N 1 0 457.575 2.879 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(C(C)(C)C)n3CC3(C(N)=O)CCOCC3)C2)CC1 ZINC001291180140 1063271381 /nfs/dbraw/zinc/27/13/81/1063271381.db2.gz UYSLWXLXTLLSGA-HXUWFJFHSA-N 1 0 460.667 2.806 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180324 1063272419 /nfs/dbraw/zinc/27/24/19/1063272419.db2.gz ZKYAEPULANJIFE-LJQANCHMSA-N 1 0 490.674 2.669 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001291180394 1063272445 /nfs/dbraw/zinc/27/24/45/1063272445.db2.gz ASANVKKTVRLENW-RBUKOAKNSA-N 1 0 455.694 2.634 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001291180426 1063272496 /nfs/dbraw/zinc/27/24/96/1063272496.db2.gz BTQMJHAGBYCPGB-UHFFFAOYSA-N 1 0 462.602 2.983 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001295343788 1063273677 /nfs/dbraw/zinc/27/36/77/1063273677.db2.gz OQKNSKOCKNPPGR-FQEVSTJZSA-N 1 0 463.671 2.660 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[NH+]1CCC(C)CC1 ZINC001291181486 1063275241 /nfs/dbraw/zinc/27/52/41/1063275241.db2.gz JGZHMOSWSVDREA-SFHVURJKSA-N 1 0 477.631 2.665 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181600 1063275809 /nfs/dbraw/zinc/27/58/09/1063275809.db2.gz NJBQKRAPZVJYMP-HXUWFJFHSA-N 1 0 456.639 2.656 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001291181856 1063276356 /nfs/dbraw/zinc/27/63/56/1063276356.db2.gz VCLLFVAHWHWSRP-HXUWFJFHSA-N 1 0 453.653 2.655 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001291182297 1063277469 /nfs/dbraw/zinc/27/74/69/1063277469.db2.gz JEKSCHLHKUMSSL-UHFFFAOYSA-N 1 0 488.080 2.931 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291182524 1063277977 /nfs/dbraw/zinc/27/79/77/1063277977.db2.gz PTLLYUWKLSJXQW-WOJBJXKFSA-N 1 0 453.653 2.655 20 0 JFADRO CC1CC[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001291183210 1063279843 /nfs/dbraw/zinc/27/98/43/1063279843.db2.gz KAQSZDFSTCIRDX-OAQYLSRUSA-N 1 0 454.619 2.689 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001291184389 1063282956 /nfs/dbraw/zinc/28/29/56/1063282956.db2.gz YHFMNVXEFJZJMQ-OAQYLSRUSA-N 1 0 490.674 2.543 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)CC1 ZINC001291184599 1063283993 /nfs/dbraw/zinc/28/39/93/1063283993.db2.gz FJHQEBBLSDXIIO-IBGZPJMESA-N 1 0 454.623 2.598 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001291185308 1063285121 /nfs/dbraw/zinc/28/51/21/1063285121.db2.gz ZPJMSLCQMBSKDY-PMACEKPBSA-N 1 0 489.665 2.702 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295345797 1063285596 /nfs/dbraw/zinc/28/55/96/1063285596.db2.gz LUBAZBWENZRDHB-LJQANCHMSA-N 1 0 454.579 2.753 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185949 1063287405 /nfs/dbraw/zinc/28/74/05/1063287405.db2.gz VFEYEWVOSVTMGR-SANMLTNESA-N 1 0 492.709 2.598 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001291185978 1063288088 /nfs/dbraw/zinc/28/80/88/1063288088.db2.gz VRJJQCVNXFPKBK-PMACEKPBSA-N 1 0 489.665 2.749 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@@H](C)O1 ZINC001291186137 1063288796 /nfs/dbraw/zinc/28/87/96/1063288796.db2.gz AMQFIXZOENCJRV-KZNAEPCWSA-N 1 0 458.582 2.639 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCCC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001291186327 1063290551 /nfs/dbraw/zinc/29/05/51/1063290551.db2.gz DBKLKCQGSLRSHL-RTBURBONSA-N 1 0 496.722 2.589 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186394 1063290587 /nfs/dbraw/zinc/29/05/87/1063290587.db2.gz DQYGFWKDFSQTJI-ISBRNDMJSA-N 1 0 492.709 2.605 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CCC2CCOCC2)C[C@H](C)O1 ZINC001291186573 1063291178 /nfs/dbraw/zinc/29/11/78/1063291178.db2.gz GSTAMBWGPVTYKK-OALUTQOASA-N 1 0 457.623 2.876 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CCc2cnccn2)C[C@H](C)O1 ZINC001291186402 1063291342 /nfs/dbraw/zinc/29/13/42/1063291342.db2.gz DTDKRYNDJWUEEW-OALUTQOASA-N 1 0 450.591 2.697 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C[C@@H](C)O1 ZINC001291186657 1063291986 /nfs/dbraw/zinc/29/19/86/1063291986.db2.gz INMXITCBJLKWFR-SFHLNBCPSA-N 1 0 476.666 2.889 20 0 JFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187336 1063294809 /nfs/dbraw/zinc/29/48/09/1063294809.db2.gz SLVOZRRLYDBMPM-PLACYPQZSA-N 1 0 450.672 2.835 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295350577 1063295484 /nfs/dbraw/zinc/29/54/84/1063295484.db2.gz FSIUJELGFGLWHR-YADHBBJMSA-N 1 0 475.682 2.878 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291187628 1063296915 /nfs/dbraw/zinc/29/69/15/1063296915.db2.gz WWVXPCKYISIOHW-VSKRKVRLSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 ZINC001291187688 1063297607 /nfs/dbraw/zinc/29/76/07/1063297607.db2.gz YCONZFCCFYJKLP-IAGOWNOFSA-N 1 0 492.571 2.761 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001295351567 1063298349 /nfs/dbraw/zinc/29/83/49/1063298349.db2.gz RRXIXSQUVWWSAD-HXUWFJFHSA-N 1 0 456.639 2.963 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@@H](C)O1 ZINC001291188163 1063301695 /nfs/dbraw/zinc/30/16/95/1063301695.db2.gz GIBPIVWRKASACG-IPMKNSEASA-N 1 0 472.609 2.563 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001291188422 1063303252 /nfs/dbraw/zinc/30/32/52/1063303252.db2.gz JUOIXUYMWDJRLV-ROUUACIJSA-N 1 0 490.052 2.973 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001295353240 1063303133 /nfs/dbraw/zinc/30/31/33/1063303133.db2.gz QVHJKNBERAOXOU-LEWJYISDSA-N 1 0 456.591 2.542 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(N3CCC(N4CCCNC4=O)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188884 1063305868 /nfs/dbraw/zinc/30/58/68/1063305868.db2.gz RZFVLEJKJFZIKL-OALUTQOASA-N 1 0 475.682 2.848 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291189264 1063308063 /nfs/dbraw/zinc/30/80/63/1063308063.db2.gz YKGDONAIDOSXEI-NHCUHLMSSA-N 1 0 497.688 2.893 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001295357567 1063313473 /nfs/dbraw/zinc/31/34/73/1063313473.db2.gz AHVWPEQRYHDBMN-OAQYLSRUSA-N 1 0 487.693 2.863 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001291189994 1063313742 /nfs/dbraw/zinc/31/37/42/1063313742.db2.gz MXQPYFORCDWJJR-MRXNPFEDSA-N 1 0 492.466 2.978 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295358021 1063313929 /nfs/dbraw/zinc/31/39/29/1063313929.db2.gz FOEBNGLBAHVELU-ZWKOTPCHSA-N 1 0 465.643 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001295358824 1063316446 /nfs/dbraw/zinc/31/64/46/1063316446.db2.gz OIGJQOXQLSEHCU-OAQYLSRUSA-N 1 0 487.693 2.719 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295358983 1063317335 /nfs/dbraw/zinc/31/73/35/1063317335.db2.gz SRYKXLCEHRRHER-QZTJIDSGSA-N 1 0 486.621 2.759 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295359015 1063317871 /nfs/dbraw/zinc/31/78/71/1063317871.db2.gz TUMGUGBUFVCKCV-OALUTQOASA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295359016 1063317913 /nfs/dbraw/zinc/31/79/13/1063317913.db2.gz TUMGUGBUFVCKCV-RBUKOAKNSA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001295359039 1063318434 /nfs/dbraw/zinc/31/84/34/1063318434.db2.gz UDBZFROUNZFANE-SJLPKXTDSA-N 1 0 477.009 2.591 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CC(C)(C)C)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001291193273 1063322203 /nfs/dbraw/zinc/32/22/03/1063322203.db2.gz YBEZDORCBJNQNU-FQEVSTJZSA-N 1 0 460.667 2.816 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001295361324 1063322630 /nfs/dbraw/zinc/32/26/30/1063322630.db2.gz KVWOSSVZUXMQTF-HLIPFELVSA-N 1 0 499.081 2.850 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001295364078 1063325426 /nfs/dbraw/zinc/32/54/26/1063325426.db2.gz DRXLYYIMTVFAKT-LEWJYISDSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001295364124 1063325891 /nfs/dbraw/zinc/32/58/91/1063325891.db2.gz CNCVATGVHACCEC-IRXDYDNUSA-N 1 0 469.055 2.799 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001295365075 1063326961 /nfs/dbraw/zinc/32/69/61/1063326961.db2.gz HXFBNOKTEZOJQK-QUCCMNQESA-N 1 0 485.633 2.685 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001295365073 1063327234 /nfs/dbraw/zinc/32/72/34/1063327234.db2.gz HXFBNOKTEZOJQK-AZUAARDMSA-N 1 0 485.633 2.685 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295365307 1063327783 /nfs/dbraw/zinc/32/77/83/1063327783.db2.gz GSOOKBHUKQOEBS-RXVVDRJESA-N 1 0 456.635 2.924 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001295365317 1063327836 /nfs/dbraw/zinc/32/78/36/1063327836.db2.gz GXLSTPVCXSIVGM-QUCCMNQESA-N 1 0 485.658 2.806 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295365632 1063328221 /nfs/dbraw/zinc/32/82/21/1063328221.db2.gz HZRQKTNVWJDPFE-UUOWRZLLSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001295366249 1063329673 /nfs/dbraw/zinc/32/96/73/1063329673.db2.gz RFLUCFDFBBCAEA-OSFYOIPJSA-N 1 0 494.648 2.535 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295366449 1063330319 /nfs/dbraw/zinc/33/03/19/1063330319.db2.gz SQHXCCRSMMJHKL-IBGZPJMESA-N 1 0 470.618 2.751 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295367665 1063333171 /nfs/dbraw/zinc/33/31/71/1063333171.db2.gz ZFILHAWGLQKNPT-IIBYNOLFSA-N 1 0 467.039 2.739 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001295369557 1063334849 /nfs/dbraw/zinc/33/48/49/1063334849.db2.gz INFLZBLTFAJULM-MSOLQXFVSA-N 1 0 471.631 2.915 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001295369459 1063334869 /nfs/dbraw/zinc/33/48/69/1063334869.db2.gz GTLKCFGUFNVKPW-OXQOHEQNSA-N 1 0 455.563 2.953 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001291195879 1063335736 /nfs/dbraw/zinc/33/57/36/1063335736.db2.gz ZXERTRAHVZNDBT-SFHVURJKSA-N 1 0 477.654 2.548 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCCO1 ZINC001291196199 1063337435 /nfs/dbraw/zinc/33/74/35/1063337435.db2.gz HBJAJZPGEGFXFR-FQEVSTJZSA-N 1 0 470.618 2.508 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCNC2=O)CC1 ZINC001295372623 1063339403 /nfs/dbraw/zinc/33/94/03/1063339403.db2.gz GRGLQXABSHXCRZ-LJQANCHMSA-N 1 0 454.623 2.763 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001295374657 1063343701 /nfs/dbraw/zinc/34/37/01/1063343701.db2.gz XXNXJXRSKWFVBD-IBGZPJMESA-N 1 0 454.623 2.694 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001295375126 1063343723 /nfs/dbraw/zinc/34/37/23/1063343723.db2.gz ZJBJRPJNSUBYOJ-WIYYLYMNSA-N 1 0 481.601 2.672 20 0 JFADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291197789 1063344680 /nfs/dbraw/zinc/34/46/80/1063344680.db2.gz JYRWLKAEEAAMLY-QZTJIDSGSA-N 1 0 498.632 2.854 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295376744 1063345796 /nfs/dbraw/zinc/34/57/96/1063345796.db2.gz PPTJRAVTXZVVBL-HSALFYBXSA-N 1 0 491.681 2.825 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCOCC1CCOCC1 ZINC001291197862 1063345935 /nfs/dbraw/zinc/34/59/35/1063345935.db2.gz LDPIFUPMSXEQDL-FQEVSTJZSA-N 1 0 476.666 2.560 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295376937 1063346473 /nfs/dbraw/zinc/34/64/73/1063346473.db2.gz QRUAICJHXYIDDE-UGKGYDQZSA-N 1 0 481.645 2.667 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295377487 1063347104 /nfs/dbraw/zinc/34/71/04/1063347104.db2.gz UTRHURCPJOMCDM-YRXWBPOGSA-N 1 0 477.654 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 ZINC001295378254 1063347511 /nfs/dbraw/zinc/34/75/11/1063347511.db2.gz ZFTPPVYYPWYSHS-QRVBRYPASA-N 1 0 461.611 2.987 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@]2(CCOC2)O1 ZINC001291199360 1063352280 /nfs/dbraw/zinc/35/22/80/1063352280.db2.gz LXXGNABXHDZJQF-DFBJGRDBSA-N 1 0 457.619 2.949 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001295380786 1063352973 /nfs/dbraw/zinc/35/29/73/1063352973.db2.gz RNFLZGCBIZMGJP-OALUTQOASA-N 1 0 468.654 2.750 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295383406 1063356544 /nfs/dbraw/zinc/35/65/44/1063356544.db2.gz BGBXMJASSPQPBT-JOCHJYFZSA-N 1 0 478.645 2.832 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1N1CCOCC1 ZINC001291201453 1063357315 /nfs/dbraw/zinc/35/73/15/1063357315.db2.gz WACUAWXJKMOWHF-WBVHZDCISA-N 1 0 450.534 2.777 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295384363 1063359881 /nfs/dbraw/zinc/35/98/81/1063359881.db2.gz GRBGLSLWJAMLQO-IEBWSBKVSA-N 1 0 450.628 2.691 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001295385593 1063361780 /nfs/dbraw/zinc/36/17/80/1063361780.db2.gz NPIBHOOQCPLNNA-UIFIKXQLSA-N 1 0 457.575 2.916 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295386484 1063362905 /nfs/dbraw/zinc/36/29/05/1063362905.db2.gz BAOZNKXGFWUVBQ-IFMALSPDSA-N 1 0 468.650 2.576 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295386487 1063362966 /nfs/dbraw/zinc/36/29/66/1063362966.db2.gz BAOZNKXGFWUVBQ-IRLDBZIGSA-N 1 0 468.650 2.576 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2cc(Br)ccc2[C@H](C)C1)[NH+](C)C ZINC001291205663 1063364824 /nfs/dbraw/zinc/36/48/24/1063364824.db2.gz MBWOOIYIFQUSAZ-KFWWJZLASA-N 1 0 499.479 2.725 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295387573 1063364772 /nfs/dbraw/zinc/36/47/72/1063364772.db2.gz GGLSECCOHYPKBE-ICSRJNTNSA-N 1 0 463.648 2.621 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CSc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 ZINC001295389747 1063367810 /nfs/dbraw/zinc/36/78/10/1063367810.db2.gz GVQXTEDIVWEGIG-QGZVFWFLSA-N 1 0 467.661 2.544 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001295389856 1063367853 /nfs/dbraw/zinc/36/78/53/1063367853.db2.gz OBWPXIFUZUNDSP-IBGZPJMESA-N 1 0 454.648 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 ZINC001295389871 1063368276 /nfs/dbraw/zinc/36/82/76/1063368276.db2.gz HPBJAIWQQFHBCG-HXUWFJFHSA-N 1 0 473.618 2.982 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295390323 1063369385 /nfs/dbraw/zinc/36/93/85/1063369385.db2.gz NMQXWWMHQHGJKP-QFIPXVFZSA-N 1 0 498.672 2.971 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295390514 1063369951 /nfs/dbraw/zinc/36/99/51/1063369951.db2.gz PMDJMXYFQGTWGI-FRBSRZPYSA-N 1 0 489.665 2.638 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390549 1063370173 /nfs/dbraw/zinc/37/01/73/1063370173.db2.gz QLUHWDTYUGIMRF-CPJSRVTESA-N 1 0 489.640 2.910 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1)c1ccco1 ZINC001295390765 1063370896 /nfs/dbraw/zinc/37/08/96/1063370896.db2.gz ACYSMVIDRNJHDJ-LJQANCHMSA-N 1 0 452.563 2.617 20 0 JFADRO CC(C)[NH+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1)C(C)C ZINC001291207039 1063372953 /nfs/dbraw/zinc/37/29/53/1063372953.db2.gz FKWALYNZXNIWQB-OALUTQOASA-N 1 0 478.663 2.795 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001295391137 1063373668 /nfs/dbraw/zinc/37/36/68/1063373668.db2.gz VKBZAFBBHPKNBO-LJQANCHMSA-N 1 0 470.618 2.703 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001295391111 1063373692 /nfs/dbraw/zinc/37/36/92/1063373692.db2.gz UZPOEPUZZLQGEF-OHUGHZGNSA-N 1 0 473.618 2.980 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001291207351 1063374294 /nfs/dbraw/zinc/37/42/94/1063374294.db2.gz JSRDZOODCSXJHP-QZTJIDSGSA-N 1 0 470.684 2.547 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295391262 1063374365 /nfs/dbraw/zinc/37/43/65/1063374365.db2.gz VUBUYQZDNQKIDT-CPJSRVTESA-N 1 0 493.697 2.679 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccsc1 ZINC001295391192 1063374426 /nfs/dbraw/zinc/37/44/26/1063374426.db2.gz DRJAKQTZCYCXPE-UYAOXDASSA-N 1 0 487.674 2.621 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC1)c1ccsc1 ZINC001295391667 1063375414 /nfs/dbraw/zinc/37/54/14/1063375414.db2.gz GSJGPJHWNVBROL-SFHVURJKSA-N 1 0 455.588 2.907 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391700 1063375681 /nfs/dbraw/zinc/37/56/81/1063375681.db2.gz HEIRBXGTAFQCIZ-UYAOXDASSA-N 1 0 471.606 2.844 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCC(F)(F)F ZINC001291207699 1063376185 /nfs/dbraw/zinc/37/61/85/1063376185.db2.gz NTWDYPZWYMUZRL-LSDHHAIUSA-N 1 0 466.574 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295391975 1063376352 /nfs/dbraw/zinc/37/63/52/1063376352.db2.gz ZUGRBOBOPSJPEW-XLIONFOSSA-N 1 0 467.611 2.740 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)c1ccsc1 ZINC001295392382 1063376440 /nfs/dbraw/zinc/37/64/40/1063376440.db2.gz KMZFCZNNYHPKJF-SLFFLAALSA-N 1 0 487.674 2.808 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccco1 ZINC001295392267 1063376494 /nfs/dbraw/zinc/37/64/94/1063376494.db2.gz JPKCEQMMDOWGLP-HXUWFJFHSA-N 1 0 495.632 2.517 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 ZINC001295393034 1063378507 /nfs/dbraw/zinc/37/85/07/1063378507.db2.gz OIKURONMMJQHPB-XLIONFOSSA-N 1 0 487.630 2.522 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1)c1ccsc1 ZINC001295393677 1063379427 /nfs/dbraw/zinc/37/94/27/1063379427.db2.gz UEDDPOUSLAENKW-VQTJNVASSA-N 1 0 485.662 2.994 20 0 JFADRO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001295393389 1063379510 /nfs/dbraw/zinc/37/95/10/1063379510.db2.gz DWERFNLKAQOXLM-UHFFFAOYSA-N 1 0 458.628 2.891 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395907 1063382287 /nfs/dbraw/zinc/38/22/87/1063382287.db2.gz ANCLUWGDDZHVMG-UTKZUKDTSA-N 1 0 459.664 2.520 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295397402 1063383696 /nfs/dbraw/zinc/38/36/96/1063383696.db2.gz MSLPILSVICQDMZ-NJDAHSKKSA-N 1 0 467.570 2.981 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398011 1063384819 /nfs/dbraw/zinc/38/48/19/1063384819.db2.gz AGWAZIFGIMJRTJ-RBUKOAKNSA-N 1 0 454.604 2.800 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 ZINC001295398087 1063385610 /nfs/dbraw/zinc/38/56/10/1063385610.db2.gz BFFSWNIKJMZYQI-QHCPKHFHSA-N 1 0 477.613 2.718 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccco1 ZINC001295399547 1063386262 /nfs/dbraw/zinc/38/62/62/1063386262.db2.gz XKOPUDDLXXYFRY-GUDVDZBRSA-N 1 0 471.558 2.883 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccsc1 ZINC001295402121 1063386818 /nfs/dbraw/zinc/38/68/18/1063386818.db2.gz SNQNWJATVRACHS-VXKWHMMOSA-N 1 0 483.642 2.826 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001295400792 1063386941 /nfs/dbraw/zinc/38/69/41/1063386941.db2.gz NLYJSGAXBFGGCB-WOJBJXKFSA-N 1 0 469.634 2.663 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC001295402296 1063387533 /nfs/dbraw/zinc/38/75/33/1063387533.db2.gz AJECTOZPTSQMFN-DHIUTWEWSA-N 1 0 478.645 2.925 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 ZINC001295402617 1063387587 /nfs/dbraw/zinc/38/75/87/1063387587.db2.gz BIPCOALQGYMFFN-HJOGWXRNSA-N 1 0 484.645 2.754 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210826 1063390236 /nfs/dbraw/zinc/39/02/36/1063390236.db2.gz JJFRTWFPXLUEIH-NVXWUHKLSA-N 1 0 483.480 2.835 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210877 1063391038 /nfs/dbraw/zinc/39/10/38/1063391038.db2.gz KBELEELJWDDSMR-GDBMZVCRSA-N 1 0 469.453 2.824 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295404622 1063391042 /nfs/dbraw/zinc/39/10/42/1063391042.db2.gz LNCAVXYXMAVJIJ-FQEVSTJZSA-N 1 0 470.647 2.611 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 ZINC001295405743 1063394440 /nfs/dbraw/zinc/39/44/40/1063394440.db2.gz TYEZVJBMZJLHRJ-RJGXRXQPSA-N 1 0 470.618 2.554 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCC[NH+](C)C)CC(C)(C)O1 ZINC001291212172 1063398406 /nfs/dbraw/zinc/39/84/06/1063398406.db2.gz JRWGBJITSVTGBR-SFHVURJKSA-N 1 0 453.591 2.917 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccccc1 ZINC001295407642 1063398965 /nfs/dbraw/zinc/39/89/65/1063398965.db2.gz XGRRHPHVPREBJZ-KSEOMHKRSA-N 1 0 454.619 2.922 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCOCC[NH+](C)C)CCO1 ZINC001291213134 1063401473 /nfs/dbraw/zinc/40/14/73/1063401473.db2.gz ABICVVHGUCSFND-AWEZNQCLSA-N 1 0 456.360 2.650 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001291213343 1063404421 /nfs/dbraw/zinc/40/44/21/1063404421.db2.gz DGTBXAPOJWLTLP-KDURUIRLSA-N 1 0 460.648 2.774 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCCCC2)C[C@H]1C ZINC001291213345 1063405320 /nfs/dbraw/zinc/40/53/20/1063405320.db2.gz DGTBXAPOJWLTLP-RTBURBONSA-N 1 0 460.648 2.774 20 0 JFADRO C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(OC(F)F)c3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291213544 1063407499 /nfs/dbraw/zinc/40/74/99/1063407499.db2.gz HHWZBROJHWITPV-GGUMNFRJSA-N 1 0 495.571 2.897 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H](C)S1 ZINC001291215129 1063421867 /nfs/dbraw/zinc/42/18/67/1063421867.db2.gz KBHCWSREVZMBBT-QZTJIDSGSA-N 1 0 493.699 2.790 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 ZINC001291215509 1063426973 /nfs/dbraw/zinc/42/69/73/1063426973.db2.gz QJHCHTXTXZPCMZ-LAUBAEHRSA-N 1 0 461.632 2.693 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC001291215511 1063427061 /nfs/dbraw/zinc/42/70/61/1063427061.db2.gz QJHCHTXTXZPCMZ-UWJYYQICSA-N 1 0 461.632 2.693 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCNS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291221211 1063451153 /nfs/dbraw/zinc/45/11/53/1063451153.db2.gz RFOWXMXARNVALO-INIZCTEOSA-N 1 0 499.056 2.988 20 0 JFADRO CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001295455793 1063459929 /nfs/dbraw/zinc/45/99/29/1063459929.db2.gz HBCMDNBLOSWEMX-UHFFFAOYSA-N 1 0 465.650 2.884 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C2CC2)[NH+](C)C)CC(=O)N1C ZINC001291222794 1063460136 /nfs/dbraw/zinc/46/01/36/1063460136.db2.gz UINWGMXEJXQYCW-SCLBCKFNSA-N 1 0 479.398 2.854 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)C2CCCCC2)CC1 ZINC001295460222 1063460531 /nfs/dbraw/zinc/46/05/31/1063460531.db2.gz CZTSTSIQQBRRNP-UHFFFAOYSA-N 1 0 473.666 2.616 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001295463907 1063464776 /nfs/dbraw/zinc/46/47/76/1063464776.db2.gz SYXSFBSFBWHAPY-UHFFFAOYSA-N 1 0 481.645 2.531 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001295464004 1063465753 /nfs/dbraw/zinc/46/57/53/1063465753.db2.gz WYGPDTJPZZYWLH-SFHVURJKSA-N 1 0 479.670 2.982 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCOCC2)CC1 ZINC001295464694 1063466684 /nfs/dbraw/zinc/46/66/84/1063466684.db2.gz DNGUXQGRWSAFSQ-UHFFFAOYSA-N 1 0 473.618 2.814 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001295464434 1063466723 /nfs/dbraw/zinc/46/67/23/1063466723.db2.gz GEFUYJOAYPPVEF-IBGZPJMESA-N 1 0 460.648 2.537 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001295464435 1063466744 /nfs/dbraw/zinc/46/67/44/1063466744.db2.gz GEFUYJOAYPPVEF-LJQANCHMSA-N 1 0 460.648 2.537 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001295464721 1063467439 /nfs/dbraw/zinc/46/74/39/1063467439.db2.gz FLXVDWJYDPAVPR-NRFANRHFSA-N 1 0 478.439 2.825 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(C)(=O)=O)CC1 ZINC001295465488 1063469116 /nfs/dbraw/zinc/46/91/16/1063469116.db2.gz XICVDUNIZHHOAF-UHFFFAOYSA-N 1 0 456.616 2.849 20 0 JFADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291226210 1063472842 /nfs/dbraw/zinc/47/28/42/1063472842.db2.gz FAPGSXTWSFKVJQ-MBOZVWFJSA-N 1 0 477.451 2.815 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001295471891 1063476911 /nfs/dbraw/zinc/47/69/11/1063476911.db2.gz GEKUTUUXVHQBMZ-JOCHJYFZSA-N 1 0 453.635 2.849 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001295472976 1063478612 /nfs/dbraw/zinc/47/86/12/1063478612.db2.gz OQBMAGIGWIKPIE-LJQANCHMSA-N 1 0 458.607 2.943 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291229025 1063480480 /nfs/dbraw/zinc/48/04/80/1063480480.db2.gz BHEGZHPTIQJXRG-BHIYHBOVSA-N 1 0 470.540 2.796 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291230110 1063483221 /nfs/dbraw/zinc/48/32/21/1063483221.db2.gz UYWOCJGKPYIFKS-OALUTQOASA-N 1 0 481.567 2.650 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)S1 ZINC001291231320 1063485928 /nfs/dbraw/zinc/48/59/28/1063485928.db2.gz RQDRBBZZCWWTLV-GGPKGHCWSA-N 1 0 459.664 2.557 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001295480389 1063490402 /nfs/dbraw/zinc/49/04/02/1063490402.db2.gz LQHOOXDOXFHVFY-WPMNCUPHSA-N 1 0 467.680 2.614 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 ZINC001295480845 1063491484 /nfs/dbraw/zinc/49/14/84/1063491484.db2.gz PMQJQUINAVTZFL-UHFFFAOYSA-N 1 0 456.635 2.668 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)OC)CC1 ZINC001295481009 1063491625 /nfs/dbraw/zinc/49/16/25/1063491625.db2.gz RLUUXWYBIGNUPK-FQEVSTJZSA-N 1 0 479.629 2.827 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001291233358 1063493827 /nfs/dbraw/zinc/49/38/27/1063493827.db2.gz BLTSNOWNQCBPSR-DOTOQJQBSA-N 1 0 456.513 2.665 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291234768 1063496819 /nfs/dbraw/zinc/49/68/19/1063496819.db2.gz BSZVELMETUQBJH-IEBWSBKVSA-N 1 0 472.638 2.902 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H](C)OC)CC1 ZINC001295482280 1063498879 /nfs/dbraw/zinc/49/88/79/1063498879.db2.gz HUBKGYFJQJAFTE-QGZVFWFLSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001295482362 1063500474 /nfs/dbraw/zinc/50/04/74/1063500474.db2.gz LLTBXGJVPPANKE-RBBKRZOGSA-N 1 0 484.645 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295482453 1063501563 /nfs/dbraw/zinc/50/15/63/1063501563.db2.gz OUGGHLOQYXNIRI-UHFFFAOYSA-N 1 0 471.556 2.601 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC001291237067 1063502085 /nfs/dbraw/zinc/50/20/85/1063502085.db2.gz QSQUQECYCGFWTL-LJQANCHMSA-N 1 0 451.575 2.533 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(C)C)CC1 ZINC001295482540 1063502299 /nfs/dbraw/zinc/50/22/99/1063502299.db2.gz SGGZRWHZGUZQCA-UHFFFAOYSA-N 1 0 456.591 2.710 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2c(C)noc2C)CC1 ZINC001295482537 1063502322 /nfs/dbraw/zinc/50/23/22/1063502322.db2.gz SFXDOCBFDKJDIR-UHFFFAOYSA-N 1 0 481.601 2.597 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 ZINC001291238654 1063507726 /nfs/dbraw/zinc/50/77/26/1063507726.db2.gz USSBEGIBEIMDOZ-QGZVFWFLSA-N 1 0 465.693 2.910 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001295484381 1063510503 /nfs/dbraw/zinc/51/05/03/1063510503.db2.gz MWXLZERLYVKOQP-XPNTWCBSSA-N 1 0 490.693 2.614 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1)C(C)C ZINC001291241318 1063511815 /nfs/dbraw/zinc/51/18/15/1063511815.db2.gz MKGVRVHOBPASKR-XUJKJYMVSA-N 1 0 462.639 2.511 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCC(F)(F)CC2)CC1 ZINC001295484979 1063513773 /nfs/dbraw/zinc/51/37/73/1063513773.db2.gz RZQWQQOZWHBYEF-FQEVSTJZSA-N 1 0 482.620 2.988 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCc2sc(C)nc2C)CC1 ZINC001295485464 1063514348 /nfs/dbraw/zinc/51/43/48/1063514348.db2.gz WXGYKMACEBCNNB-HXUWFJFHSA-N 1 0 489.690 2.826 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242044 1063514738 /nfs/dbraw/zinc/51/47/38/1063514738.db2.gz WHVKMHJLFRFJQO-IEBWSBKVSA-N 1 0 475.638 2.549 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccccc2OC(C)C)CC1 ZINC001295485844 1063515137 /nfs/dbraw/zinc/51/51/37/1063515137.db2.gz ZBNYOWYPEIRPLQ-HSZRJFAPSA-N 1 0 498.672 2.998 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nccs2)CC1 ZINC001295491014 1063520599 /nfs/dbraw/zinc/52/05/99/1063520599.db2.gz MRPPDWRUBCXMAS-UHFFFAOYSA-N 1 0 489.596 2.642 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001295491071 1063521250 /nfs/dbraw/zinc/52/12/50/1063521250.db2.gz PCAKJQNMXIDWNE-UHFFFAOYSA-N 1 0 493.603 2.902 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(F)cc2F)CC1 ZINC001295491055 1063521312 /nfs/dbraw/zinc/52/13/12/1063521312.db2.gz OJCIBUVCCMQPFK-UHFFFAOYSA-N 1 0 483.567 2.581 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2CCc2c(F)cccc2F)CC1 ZINC001295491158 1063521644 /nfs/dbraw/zinc/52/16/44/1063521644.db2.gz QBQQAHPICYJGGH-UHFFFAOYSA-N 1 0 462.589 2.988 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC2(SC)CC2)CC1 ZINC001295491080 1063521900 /nfs/dbraw/zinc/52/19/00/1063521900.db2.gz PGLLBHCKZUTZFN-UHFFFAOYSA-N 1 0 477.704 2.520 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291248367 1063522512 /nfs/dbraw/zinc/52/25/12/1063522512.db2.gz PLOQGTPQRAWGGU-LFALDJFMSA-N 1 0 462.639 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCO[C@H](C)C2)CC1 ZINC001295491580 1063523106 /nfs/dbraw/zinc/52/31/06/1063523106.db2.gz VEWOWFIVAUGPEX-PKTZIBPZSA-N 1 0 498.672 2.971 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001295491581 1063523522 /nfs/dbraw/zinc/52/35/22/1063523522.db2.gz VEWOWFIVAUGPEX-XZOQPEGZSA-N 1 0 498.672 2.971 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291248648 1063523921 /nfs/dbraw/zinc/52/39/21/1063523921.db2.gz SROFACLZQBFDKT-LMCOJAPRSA-N 1 0 462.639 2.862 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(C)C)C2)cc1 ZINC001295492276 1063525328 /nfs/dbraw/zinc/52/53/28/1063525328.db2.gz ALMFUVSCVXTOLD-FCHUYYIVSA-N 1 0 454.619 2.981 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295491906 1063525425 /nfs/dbraw/zinc/52/54/25/1063525425.db2.gz ZKSCATCEYWRGCC-FXAWDEMLSA-N 1 0 473.622 2.529 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C(N)=O)CC2)cc1 ZINC001295493296 1063526868 /nfs/dbraw/zinc/52/68/68/1063526868.db2.gz HCDRHHSOYGXVCJ-QFIPXVFZSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)OC)CC2)c1 ZINC001295493946 1063528306 /nfs/dbraw/zinc/52/83/06/1063528306.db2.gz WYCREGPIXPPNEK-UHFFFAOYSA-N 1 0 465.602 2.958 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC001295494230 1063528761 /nfs/dbraw/zinc/52/87/61/1063528761.db2.gz MMQFSMJUFLWXLZ-FCHUYYIVSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)cc1 ZINC001295495016 1063530842 /nfs/dbraw/zinc/53/08/42/1063530842.db2.gz YAGHQXGGEFWZEZ-DENIHFKCSA-N 1 0 465.602 2.865 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251492 1063532382 /nfs/dbraw/zinc/53/23/82/1063532382.db2.gz IIDXSRQJOJDUJW-RTBURBONSA-N 1 0 482.695 2.960 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295499587 1063532806 /nfs/dbraw/zinc/53/28/06/1063532806.db2.gz BTBAZMJHQHVQNM-BGYRXZFFSA-N 1 0 454.619 2.904 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(C(=O)NC)CC2)c1 ZINC001295499990 1063533287 /nfs/dbraw/zinc/53/32/87/1063533287.db2.gz IRJWTHLAGKQMBD-QFIPXVFZSA-N 1 0 454.619 2.635 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001295500854 1063534855 /nfs/dbraw/zinc/53/48/55/1063534855.db2.gz SKYNBMFQQFRMEJ-KNQAVFIVSA-N 1 0 454.619 2.729 20 0 JFADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001291253146 1063535268 /nfs/dbraw/zinc/53/52/68/1063535268.db2.gz DSTMRLGBPMIMJN-QUCCMNQESA-N 1 0 461.632 2.698 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(N)=O)C2)c1 ZINC001295501183 1063535221 /nfs/dbraw/zinc/53/52/21/1063535221.db2.gz WWFUELCFAPAYFN-JOCHJYFZSA-N 1 0 461.614 2.856 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)C1 ZINC001295502305 1063536360 /nfs/dbraw/zinc/53/63/60/1063536360.db2.gz DEIVUTJAHVPPCD-INIZCTEOSA-N 1 0 478.439 2.790 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@](C)(O)c2ccccc2)C1 ZINC001295503018 1063538088 /nfs/dbraw/zinc/53/80/88/1063538088.db2.gz IZUGDZZYSYAKHU-LVXARBLLSA-N 1 0 468.646 2.980 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295503826 1063539027 /nfs/dbraw/zinc/53/90/27/1063539027.db2.gz PJLQEFZIVXHQHK-JOCHJYFZSA-N 1 0 453.635 2.923 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 ZINC001295503849 1063539342 /nfs/dbraw/zinc/53/93/42/1063539342.db2.gz PKDUTEYLEYMOIQ-VXKWHMMOSA-N 1 0 475.659 2.686 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2sc(C)nc2C)C1 ZINC001295504189 1063539971 /nfs/dbraw/zinc/53/99/71/1063539971.db2.gz QZEAXGZKWXCNOB-LJQANCHMSA-N 1 0 459.664 2.998 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 ZINC001295505252 1063541282 /nfs/dbraw/zinc/54/12/82/1063541282.db2.gz ZVHNFYUXMUJONR-SJLPKXTDSA-N 1 0 469.055 2.758 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255533 1063544302 /nfs/dbraw/zinc/54/43/02/1063544302.db2.gz JKQODOOABUYMBR-QHAWAJNXSA-N 1 0 492.665 2.932 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2CC2)C1 ZINC001295509307 1063544172 /nfs/dbraw/zinc/54/41/72/1063544172.db2.gz UNLYCVKHIBBMDK-LJQANCHMSA-N 1 0 460.648 2.774 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001295511522 1063546476 /nfs/dbraw/zinc/54/64/76/1063546476.db2.gz KQIGTQBFBFANDS-OAQYLSRUSA-N 1 0 488.080 2.931 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001295511809 1063546850 /nfs/dbraw/zinc/54/68/50/1063546850.db2.gz NQHLJULBHUYXQA-GOSISDBHSA-N 1 0 496.077 2.706 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001295514565 1063548555 /nfs/dbraw/zinc/54/85/55/1063548555.db2.gz AOQFCGGTKIRKNG-MOPGFXCFSA-N 1 0 450.628 2.865 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 ZINC001295516200 1063552052 /nfs/dbraw/zinc/55/20/52/1063552052.db2.gz GKASZWDMMQOLFE-SFTDATJTSA-N 1 0 475.659 2.736 20 0 JFADRO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC2(CCOCC2)O1 ZINC001291259453 1063552923 /nfs/dbraw/zinc/55/29/23/1063552923.db2.gz SJXPUQBNBSTUNM-SFTDATJTSA-N 1 0 463.667 2.878 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)C1 ZINC001295517866 1063554327 /nfs/dbraw/zinc/55/43/27/1063554327.db2.gz NDADTMQNBANCRJ-MSOLQXFVSA-N 1 0 451.662 2.767 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001295519528 1063555892 /nfs/dbraw/zinc/55/58/92/1063555892.db2.gz SLQLETRDVNAGTG-SFHVURJKSA-N 1 0 458.611 2.770 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291261382 1063556782 /nfs/dbraw/zinc/55/67/82/1063556782.db2.gz AKGAYVWEQSWQLU-OFNKIYASSA-N 1 0 458.626 2.895 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001295523482 1063560582 /nfs/dbraw/zinc/56/05/82/1063560582.db2.gz TVASFHVRPOXRMN-HXUWFJFHSA-N 1 0 493.649 2.989 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)CCCO1 ZINC001291264433 1063563344 /nfs/dbraw/zinc/56/33/44/1063563344.db2.gz CDSQWJDFZDZQRO-HXUWFJFHSA-N 1 0 450.587 2.868 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001295526951 1063564653 /nfs/dbraw/zinc/56/46/53/1063564653.db2.gz AUUDBRVALDPGLB-HXUWFJFHSA-N 1 0 485.658 2.808 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 ZINC001295526950 1063564735 /nfs/dbraw/zinc/56/47/35/1063564735.db2.gz AUUDBRVALDPGLB-FQEVSTJZSA-N 1 0 485.658 2.808 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001295527591 1063565714 /nfs/dbraw/zinc/56/57/14/1063565714.db2.gz KDTFFHRQNMJFRH-GOSISDBHSA-N 1 0 466.989 2.811 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001295528721 1063566437 /nfs/dbraw/zinc/56/64/37/1063566437.db2.gz SVRNVMXCYYVFGY-HXUWFJFHSA-N 1 0 493.450 2.781 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295529188 1063566723 /nfs/dbraw/zinc/56/67/23/1063566723.db2.gz CMQCHPCFFRFZOF-DEOSSOPVSA-N 1 0 456.591 2.553 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295531213 1063568371 /nfs/dbraw/zinc/56/83/71/1063568371.db2.gz SIHMBYZPXLPWTI-IBGZPJMESA-N 1 0 456.616 2.849 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001295531625 1063568762 /nfs/dbraw/zinc/56/87/62/1063568762.db2.gz WYUKRCYDSDTZGS-UHFFFAOYSA-N 1 0 469.634 2.560 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001295531608 1063568804 /nfs/dbraw/zinc/56/88/04/1063568804.db2.gz WLCXWSNKYDDPAV-UHFFFAOYSA-N 1 0 469.619 2.779 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001295532405 1063569197 /nfs/dbraw/zinc/56/91/97/1063569197.db2.gz GKGKCNQPBMIZSI-UHFFFAOYSA-N 1 0 476.629 2.806 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001295533366 1063570130 /nfs/dbraw/zinc/57/01/30/1063570130.db2.gz SQTJINPGFYHYGV-FQEVSTJZSA-N 1 0 479.633 2.778 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001295533634 1063570649 /nfs/dbraw/zinc/57/06/49/1063570649.db2.gz XKOYCNJNOHEYPP-UHFFFAOYSA-N 1 0 471.997 2.958 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001295533919 1063571039 /nfs/dbraw/zinc/57/10/39/1063571039.db2.gz IBSSVQSPGKFMGE-ICSRJNTNSA-N 1 0 473.618 2.975 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cnn(C)c1C ZINC001295534060 1063571492 /nfs/dbraw/zinc/57/14/92/1063571492.db2.gz JHRHJNYBRINMRU-UHFFFAOYSA-N 1 0 477.617 2.602 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001295534758 1063571558 /nfs/dbraw/zinc/57/15/58/1063571558.db2.gz QAZBMDMHLRPPLZ-CTNGQTDRSA-N 1 0 472.638 2.649 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001295534465 1063571661 /nfs/dbraw/zinc/57/16/61/1063571661.db2.gz NZNDCSHWNMNQID-UHFFFAOYSA-N 1 0 459.683 2.802 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(Cc2cccc(C)c2)CC1 ZINC001295535061 1063571995 /nfs/dbraw/zinc/57/19/95/1063571995.db2.gz SGRQQQJRQFWVIW-QFIPXVFZSA-N 1 0 468.646 2.844 20 0 JFADRO CC[NH+](CC)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001295540237 1063575189 /nfs/dbraw/zinc/57/51/89/1063575189.db2.gz WRWGIJUGTXBXTR-IBGZPJMESA-N 1 0 470.588 2.944 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001295540961 1063575673 /nfs/dbraw/zinc/57/56/73/1063575673.db2.gz GFTKRIVPLLXGAQ-AQNXPRMDSA-N 1 0 480.654 2.526 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 ZINC001295541302 1063576154 /nfs/dbraw/zinc/57/61/54/1063576154.db2.gz JBVNFIYVLVSWLE-MOPGFXCFSA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 ZINC001295541304 1063576230 /nfs/dbraw/zinc/57/62/30/1063576230.db2.gz JBVNFIYVLVSWLE-RBUKOAKNSA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 ZINC001295541623 1063576655 /nfs/dbraw/zinc/57/66/55/1063576655.db2.gz MEYBMCUUPUFEPH-NRFANRHFSA-N 1 0 474.675 2.547 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(C)c2)CC1 ZINC001295541624 1063576761 /nfs/dbraw/zinc/57/67/61/1063576761.db2.gz MEYBMCUUPUFEPH-OAQYLSRUSA-N 1 0 474.675 2.547 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC)CC1 ZINC001295542586 1063577154 /nfs/dbraw/zinc/57/71/54/1063577154.db2.gz CJBSQCQRWNBDLC-UHFFFAOYSA-N 1 0 464.998 2.845 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001295542527 1063577200 /nfs/dbraw/zinc/57/72/00/1063577200.db2.gz BZSAKSAUQNVEIB-OAQYLSRUSA-N 1 0 456.591 2.530 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001295543076 1063578215 /nfs/dbraw/zinc/57/82/15/1063578215.db2.gz WFXNPVILQDZYFE-RTBURBONSA-N 1 0 493.678 2.803 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001295544068 1063578971 /nfs/dbraw/zinc/57/89/71/1063578971.db2.gz LRBCNVIYNBOGKW-FQEVSTJZSA-N 1 0 499.534 2.842 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001295544218 1063579431 /nfs/dbraw/zinc/57/94/31/1063579431.db2.gz NDZYCRJCFSZGON-VWLOTQADSA-N 1 0 454.619 2.922 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCCO[C@H](C)C1 ZINC001295545039 1063580316 /nfs/dbraw/zinc/58/03/16/1063580316.db2.gz OYOYDKQKCQLXGZ-GOSISDBHSA-N 1 0 469.590 2.568 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001295545205 1063580425 /nfs/dbraw/zinc/58/04/25/1063580425.db2.gz QXDBOROYHIPYMG-JOCHJYFZSA-N 1 0 483.661 2.815 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001295545312 1063580473 /nfs/dbraw/zinc/58/04/73/1063580473.db2.gz RIEMSAIZOLQZTB-QRVBRYPASA-N 1 0 478.638 2.780 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(F)(F)CC1 ZINC001295545375 1063580755 /nfs/dbraw/zinc/58/07/55/1063580755.db2.gz SKYFNTNTYCQFPP-UHFFFAOYSA-N 1 0 454.522 2.600 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001295545929 1063581262 /nfs/dbraw/zinc/58/12/62/1063581262.db2.gz WJFLKPQDDIDPNH-GOSISDBHSA-N 1 0 454.575 2.717 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H](C)O1 ZINC001291275181 1063582337 /nfs/dbraw/zinc/58/23/37/1063582337.db2.gz NTHQHIVEQQIKGM-FGZHOGPDSA-N 1 0 470.662 2.787 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295551253 1063584136 /nfs/dbraw/zinc/58/41/36/1063584136.db2.gz RJXHSVXKTNYONG-PMACEKPBSA-N 1 0 480.654 2.586 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001295552149 1063585151 /nfs/dbraw/zinc/58/51/51/1063585151.db2.gz XKRLSXVDUDSEKM-SJORKVTESA-N 1 0 470.603 2.690 20 0 JFADRO CC[NH+](CC)CCOCCn1c(N2CCC3(CC2)OC(=O)NC32CCC2)nnc1C(C)(C)C ZINC001295551790 1063585200 /nfs/dbraw/zinc/58/52/00/1063585200.db2.gz VNXHBPYEYHZLKX-UHFFFAOYSA-N 1 0 462.639 2.936 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001295552180 1063585597 /nfs/dbraw/zinc/58/55/97/1063585597.db2.gz XYJJKKBTYWXZHH-OLZOCXBDSA-N 1 0 453.440 2.518 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)CC1 ZINC001295552932 1063586053 /nfs/dbraw/zinc/58/60/53/1063586053.db2.gz CWFWGYKZJQDGJY-CYBMUJFWSA-N 1 0 455.426 2.826 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001295553261 1063586413 /nfs/dbraw/zinc/58/64/13/1063586413.db2.gz DDKWFPVHKBWFIW-RTWAWAEBSA-N 1 0 467.662 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001295553850 1063587002 /nfs/dbraw/zinc/58/70/02/1063587002.db2.gz MBWRRCDUOKAQFS-IFMALSPDSA-N 1 0 454.619 2.811 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001295554206 1063587991 /nfs/dbraw/zinc/58/79/91/1063587991.db2.gz UHKBLAZBGZIHBS-MISYRCLQSA-N 1 0 470.618 2.940 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001295554377 1063588468 /nfs/dbraw/zinc/58/84/68/1063588468.db2.gz AIOHMSMXMWVAER-MRXNPFEDSA-N 1 0 499.479 2.520 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)C2CCCCC2)CCN1CC(F)(F)F ZINC001291276970 1063588643 /nfs/dbraw/zinc/58/86/43/1063588643.db2.gz VOKQOWJNXAINOF-GOSISDBHSA-N 1 0 485.599 2.738 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1 ZINC001295554635 1063588909 /nfs/dbraw/zinc/58/89/09/1063588909.db2.gz YAYXJKFFBBJCLL-CYBMUJFWSA-N 1 0 476.466 2.734 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001295555082 1063589354 /nfs/dbraw/zinc/58/93/54/1063589354.db2.gz QGVBVMDXYMWMOY-AEFFLSMTSA-N 1 0 491.438 2.868 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295559063 1063591440 /nfs/dbraw/zinc/59/14/40/1063591440.db2.gz AYYAJZDNYRLNOD-IEBWSBKVSA-N 1 0 460.627 2.902 20 0 JFADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291277821 1063593136 /nfs/dbraw/zinc/59/31/36/1063593136.db2.gz KMXXDDSCFIPSSD-WBVHZDCISA-N 1 0 499.607 2.683 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001295560316 1063593500 /nfs/dbraw/zinc/59/35/00/1063593500.db2.gz LHHOQYWGCLMAKY-GOSISDBHSA-N 1 0 452.607 2.997 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001295560415 1063594017 /nfs/dbraw/zinc/59/40/17/1063594017.db2.gz UJHJKOOMYWVLFF-QRVBRYPASA-N 1 0 470.622 2.769 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2ccsc2)CC1 ZINC001295560765 1063594478 /nfs/dbraw/zinc/59/44/78/1063594478.db2.gz YVPRVEGHNDKKKR-HBFSDRIKSA-N 1 0 459.664 2.904 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2ccsc2)CC1 ZINC001295560768 1063594529 /nfs/dbraw/zinc/59/45/29/1063594529.db2.gz YVPRVEGHNDKKKR-QWFCFKBJSA-N 1 0 459.664 2.904 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001295561558 1063594889 /nfs/dbraw/zinc/59/48/89/1063594889.db2.gz WDJQEVKVVWYXGY-MOPGFXCFSA-N 1 0 480.654 2.922 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001295562956 1063596510 /nfs/dbraw/zinc/59/65/10/1063596510.db2.gz IZVMVZINBGVJPO-PQNGQFLHSA-N 1 0 494.706 2.668 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001295564224 1063597370 /nfs/dbraw/zinc/59/73/70/1063597370.db2.gz RZWYRVBMKYTYQR-UMEGOILYSA-N 1 0 492.665 2.934 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001295564353 1063597836 /nfs/dbraw/zinc/59/78/36/1063597836.db2.gz AAPIOWBCGUMOOJ-YADHBBJMSA-N 1 0 483.661 2.663 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001295564912 1063598435 /nfs/dbraw/zinc/59/84/35/1063598435.db2.gz DKRAAOLMZNYAFM-IEBWSBKVSA-N 1 0 460.648 2.845 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001295566205 1063600049 /nfs/dbraw/zinc/60/00/49/1063600049.db2.gz RYJNYBZZNZJQDA-SVFBPWRDSA-N 1 0 472.638 2.648 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001295569389 1063603395 /nfs/dbraw/zinc/60/33/95/1063603395.db2.gz CBMGVFKCMOVUSY-OPYAIIAOSA-N 1 0 458.582 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC001295569338 1063603407 /nfs/dbraw/zinc/60/34/07/1063603407.db2.gz BDIUFLSBPWDVAG-DENIHFKCSA-N 1 0 470.618 2.717 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001295569564 1063604161 /nfs/dbraw/zinc/60/41/61/1063604161.db2.gz FMMSJWKHIRDZOO-GOSISDBHSA-N 1 0 499.660 2.739 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295569404 1063604234 /nfs/dbraw/zinc/60/42/34/1063604234.db2.gz CQMWWHMXNXADAX-DVECYGJZSA-N 1 0 459.591 2.592 20 0 JFADRO CCn1cc([C@@H]2CN(c3nnc(Cc4cccnc4)n3C[C@@H](C)[NH+](CC)CC)CCO2)cn1 ZINC001295569980 1063605011 /nfs/dbraw/zinc/60/50/11/1063605011.db2.gz ZFZDDPRNBQRSBF-KNQAVFIVSA-N 1 0 452.607 2.789 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295572922 1063610782 /nfs/dbraw/zinc/61/07/82/1063610782.db2.gz PMFNIJHMDYCLMI-OTPAQWSUSA-N 1 0 476.666 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3ccccn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295573313 1063612275 /nfs/dbraw/zinc/61/22/75/1063612275.db2.gz VOJOSVBHKPQERO-PXDATVDWSA-N 1 0 471.650 2.771 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291282309 1063612410 /nfs/dbraw/zinc/61/24/10/1063612410.db2.gz NMLJDTFZNUWBOP-GOSISDBHSA-N 1 0 458.582 2.785 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(C)(C)C[NH+]2CCCC2)CC(=O)N1C ZINC001291282308 1063612477 /nfs/dbraw/zinc/61/24/77/1063612477.db2.gz NLPIFJCSPMBDKM-SFHVURJKSA-N 1 0 458.582 2.785 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001291285325 1063626130 /nfs/dbraw/zinc/62/61/30/1063626130.db2.gz OXSCKSAYFJHBRA-YUMYIRISSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286309 1063630689 /nfs/dbraw/zinc/63/06/89/1063630689.db2.gz HDHKYTPQIQCMDP-PLACYPQZSA-N 1 0 492.665 2.716 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)C[C@@H](C)O1 ZINC001291287569 1063640482 /nfs/dbraw/zinc/64/04/82/1063640482.db2.gz FAQWMHMTKOZYQJ-OPYAIIAOSA-N 1 0 491.036 2.586 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC001291287637 1063641263 /nfs/dbraw/zinc/64/12/63/1063641263.db2.gz FXGRXGRSBJOHIO-IEBWSBKVSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 ZINC001291287636 1063641410 /nfs/dbraw/zinc/64/14/10/1063641410.db2.gz FXGRXGRSBJOHIO-HKUYNNGSSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCOCC(F)F ZINC001291287772 1063643115 /nfs/dbraw/zinc/64/31/15/1063643115.db2.gz HOTHTPVUPMDJMG-GOSISDBHSA-N 1 0 462.545 2.507 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CC1(C(N)=O)CCOCC1 ZINC001291287980 1063644957 /nfs/dbraw/zinc/64/49/57/1063644957.db2.gz LDFKTNQGRAJWNS-HXUWFJFHSA-N 1 0 468.646 2.860 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291287939 1063645007 /nfs/dbraw/zinc/64/50/07/1063645007.db2.gz KKHOSEUUFWEIDY-KRWDZBQOSA-N 1 0 483.585 2.616 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F ZINC001291288116 1063646397 /nfs/dbraw/zinc/64/63/97/1063646397.db2.gz NFESSWXMOZOPCR-GOSISDBHSA-N 1 0 487.530 2.653 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288149 1063646452 /nfs/dbraw/zinc/64/64/52/1063646452.db2.gz NTGWHTNDJQXWIL-IUBSTNSRSA-N 1 0 494.706 2.714 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 ZINC001291288119 1063646548 /nfs/dbraw/zinc/64/65/48/1063646548.db2.gz NGMSYKCDYSTNFP-MZNJEOGPSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288151 1063646651 /nfs/dbraw/zinc/64/66/51/1063646651.db2.gz NTGWHTNDJQXWIL-XARGGIHNSA-N 1 0 494.706 2.714 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291288161 1063647810 /nfs/dbraw/zinc/64/78/10/1063647810.db2.gz NZBWFLKUWKFELD-ROUUACIJSA-N 1 0 484.066 2.969 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001291288420 1063649613 /nfs/dbraw/zinc/64/96/13/1063649613.db2.gz SDLKVIKCMGYTPV-NLFFAJNJSA-N 1 0 454.619 2.632 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CC(F)C2)C[C@H](C)O1 ZINC001291288577 1063650586 /nfs/dbraw/zinc/65/05/86/1063650586.db2.gz VAKWJDLRAPUYSU-YXWAVELNSA-N 1 0 459.570 2.609 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O ZINC001291288749 1063652398 /nfs/dbraw/zinc/65/23/98/1063652398.db2.gz XXQYMBOPGDOFHD-IBGZPJMESA-N 1 0 488.683 2.580 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291288959 1063653269 /nfs/dbraw/zinc/65/32/69/1063653269.db2.gz BGFYJOVJZGQZMX-YPAWHYETSA-N 1 0 483.661 2.828 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CCN1CC(F)(F)F ZINC001291289168 1063654821 /nfs/dbraw/zinc/65/48/21/1063654821.db2.gz FQIDZTGUBNZBOJ-OALUTQOASA-N 1 0 481.567 2.914 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCNC(=O)CC2)C[C@@H](C)O1 ZINC001291289444 1063656352 /nfs/dbraw/zinc/65/63/52/1063656352.db2.gz JTNKZMKPTCHIFU-IAGOWNOFSA-N 1 0 491.434 2.533 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291289625 1063657992 /nfs/dbraw/zinc/65/79/92/1063657992.db2.gz MZMVRDCDWWXPDJ-PMACEKPBSA-N 1 0 469.634 2.580 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291289745 1063658877 /nfs/dbraw/zinc/65/88/77/1063658877.db2.gz PGYUXFJKLZPPEA-HDICACEKSA-N 1 0 460.598 2.934 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[C@@H](C)O1 ZINC001291289715 1063658945 /nfs/dbraw/zinc/65/89/45/1063658945.db2.gz OSFCYCSCVKUFDR-GGPKGHCWSA-N 1 0 494.562 2.949 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291289976 1063660447 /nfs/dbraw/zinc/66/04/47/1063660447.db2.gz SNVLDIVNWIDDNF-NJDAHSKKSA-N 1 0 471.650 2.524 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C[C@@H](C)O1 ZINC001291290041 1063661494 /nfs/dbraw/zinc/66/14/94/1063661494.db2.gz UILSSQCFRRXPAF-KCZVDYSFSA-N 1 0 483.661 2.971 20 0 JFADRO C[C@H](N1CCN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291290077 1063662347 /nfs/dbraw/zinc/66/23/47/1063662347.db2.gz UTTJBHVAZVEXLQ-MOPGFXCFSA-N 1 0 483.583 2.857 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001291290841 1063665432 /nfs/dbraw/zinc/66/54/32/1063665432.db2.gz GSOOVTAMQHRHPV-NSHGMRRFSA-N 1 0 462.639 2.512 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291291174 1063667376 /nfs/dbraw/zinc/66/73/76/1063667376.db2.gz LFUSKYUVAZTMNH-AFDCHOCNSA-N 1 0 492.665 2.631 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291291259 1063667469 /nfs/dbraw/zinc/66/74/69/1063667469.db2.gz MHZGZFRMHXJYOX-BXXSPATCSA-N 1 0 490.693 2.660 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001291291305 1063668507 /nfs/dbraw/zinc/66/85/07/1063668507.db2.gz MYNOGDXEEIMSQQ-LTIDMASMSA-N 1 0 453.513 2.869 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC001291291314 1063669292 /nfs/dbraw/zinc/66/92/92/1063669292.db2.gz NAYGUTPBMAICNW-VQHPVUNQSA-N 1 0 458.529 2.507 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@H](C)O1 ZINC001291291486 1063670958 /nfs/dbraw/zinc/67/09/58/1063670958.db2.gz QAUNBLKYIAOWJS-OALUTQOASA-N 1 0 459.639 2.962 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291790 1063671850 /nfs/dbraw/zinc/67/18/50/1063671850.db2.gz UYFRDQOPGVFOJF-TZIWHRDSSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)C[C@H](C)O1 ZINC001291291888 1063672588 /nfs/dbraw/zinc/67/25/88/1063672588.db2.gz VUTAKAKEZLLNRG-ZRGWGRIASA-N 1 0 480.535 2.782 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292083 1063673487 /nfs/dbraw/zinc/67/34/87/1063673487.db2.gz YQFQZSZZRHJFFT-RBUKOAKNSA-N 1 0 474.572 2.705 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)C[C@@H](C)O1 ZINC001291292137 1063674037 /nfs/dbraw/zinc/67/40/37/1063674037.db2.gz ZEQHKLOBIDERSD-WOJBJXKFSA-N 1 0 475.682 2.750 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001291292883 1063679099 /nfs/dbraw/zinc/67/90/99/1063679099.db2.gz LBFSGKNJWIZSHI-BGYRXZFFSA-N 1 0 472.634 2.599 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291292901 1063679190 /nfs/dbraw/zinc/67/91/90/1063679190.db2.gz LOAZZVHLFUWSKA-ONTIZHBOSA-N 1 0 499.660 2.867 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291292951 1063680206 /nfs/dbraw/zinc/68/02/06/1063680206.db2.gz MGOBGFUASHGXIT-NRFANRHFSA-N 1 0 499.660 2.822 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CC3CCCC3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291293051 1063680833 /nfs/dbraw/zinc/68/08/33/1063680833.db2.gz NYSAIQLIENHKDW-BGYRXZFFSA-N 1 0 460.667 2.992 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CC3CCCC3)nnc2N2CCC(CCC(N)=O)CC2)C[C@H](C)O1 ZINC001291293052 1063680903 /nfs/dbraw/zinc/68/09/03/1063680903.db2.gz NYSAIQLIENHKDW-PMACEKPBSA-N 1 0 460.667 2.992 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291293117 1063681799 /nfs/dbraw/zinc/68/17/99/1063681799.db2.gz PHMZFJVUIVLFLC-OYRHEFFESA-N 1 0 470.662 2.914 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)C[C@@H](C)O1 ZINC001291293620 1063686233 /nfs/dbraw/zinc/68/62/33/1063686233.db2.gz XHTVFSGLUVTWJU-NJYVYQBISA-N 1 0 460.667 2.957 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCC(=O)N(C)C ZINC001291294076 1063687884 /nfs/dbraw/zinc/68/78/84/1063687884.db2.gz DVRIRIOZXQCKLR-YJBOKZPZSA-N 1 0 461.408 2.859 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001295646812 1063688375 /nfs/dbraw/zinc/68/83/75/1063688375.db2.gz MNLFQSOWFDBSAL-LJQANCHMSA-N 1 0 465.606 2.806 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001291294612 1063690620 /nfs/dbraw/zinc/69/06/20/1063690620.db2.gz MSXHAWNQEVEYMK-XARADAHVSA-N 1 0 490.693 2.788 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)cc2)n1CCCS(C)(=O)=O ZINC001291295168 1063693337 /nfs/dbraw/zinc/69/33/37/1063693337.db2.gz VRDYDUUCDFUSCR-CRAIPNDOSA-N 1 0 482.448 2.815 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295651741 1063695328 /nfs/dbraw/zinc/69/53/28/1063695328.db2.gz LZTLJPMKOQAPOH-IBGZPJMESA-N 1 0 480.436 2.596 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC001295658929 1063700593 /nfs/dbraw/zinc/70/05/93/1063700593.db2.gz XRNWDINGYBKHHO-VQTJNVASSA-N 1 0 451.633 2.504 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001295659495 1063701088 /nfs/dbraw/zinc/70/10/88/1063701088.db2.gz DQDJPHRSDRVZKA-HXUWFJFHSA-N 1 0 452.607 2.909 20 0 JFADRO C[C@@H]1COCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291300688 1063706399 /nfs/dbraw/zinc/70/63/99/1063706399.db2.gz QWGLEHVBOAZTBM-VQIMIIECSA-N 1 0 453.522 2.593 20 0 JFADRO C[C@H]1COCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291300687 1063706424 /nfs/dbraw/zinc/70/64/24/1063706424.db2.gz QWGLEHVBOAZTBM-QFBILLFUSA-N 1 0 453.522 2.593 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(COc2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295668932 1063709218 /nfs/dbraw/zinc/70/92/18/1063709218.db2.gz QVLLHLKEDZAQBX-SANMLTNESA-N 1 0 481.645 2.981 20 0 JFADRO C[C@H]1COCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291306587 1063718411 /nfs/dbraw/zinc/71/84/11/1063718411.db2.gz BYFRQOCRQAGERG-KRWDZBQOSA-N 1 0 494.482 2.687 20 0 JFADRO C[C@@H]1COCCN1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291306588 1063718562 /nfs/dbraw/zinc/71/85/62/1063718562.db2.gz BYFRQOCRQAGERG-QGZVFWFLSA-N 1 0 494.482 2.687 20 0 JFADRO C[C@@H]1COCCN1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C ZINC001291309907 1063737285 /nfs/dbraw/zinc/73/72/85/1063737285.db2.gz OUBNDPHSJQBJHQ-HSZRJFAPSA-N 1 0 483.705 2.846 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295741435 1063749146 /nfs/dbraw/zinc/74/91/46/1063749146.db2.gz XVXVCCYLXRDOOT-IFMALSPDSA-N 1 0 469.634 2.597 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001295759529 1063763716 /nfs/dbraw/zinc/76/37/16/1063763716.db2.gz DICKZQIURPNCGF-RTBURBONSA-N 1 0 485.599 2.816 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C1)CC(F)(F)F ZINC001295762675 1063767090 /nfs/dbraw/zinc/76/70/90/1063767090.db2.gz IUMXNYJSWJOMDO-SFHVURJKSA-N 1 0 466.556 2.932 20 0 JFADRO C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291322894 1063768357 /nfs/dbraw/zinc/76/83/57/1063768357.db2.gz BVAQSJDMRNVIEK-UZUQRXQVSA-N 1 0 464.010 2.971 20 0 JFADRO CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001295770996 1063779393 /nfs/dbraw/zinc/77/93/93/1063779393.db2.gz BEUKQPMCLDKREI-SJBKTWHCSA-N 1 0 454.619 2.798 20 0 JFADRO CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295770995 1063779420 /nfs/dbraw/zinc/77/94/20/1063779420.db2.gz BEUKQPMCLDKREI-RZUBCFFCSA-N 1 0 454.619 2.798 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+](C(C)C)C(C)C)C1 ZINC001291334009 1063790503 /nfs/dbraw/zinc/79/05/03/1063790503.db2.gz SHEWYQDBOMHHLN-FQEVSTJZSA-N 1 0 461.655 2.518 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001291335382 1063796298 /nfs/dbraw/zinc/79/62/98/1063796298.db2.gz PHHFKXWULHBEGB-IRLDBZIGSA-N 1 0 481.645 2.984 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CC=CCC2)C1 ZINC001291336427 1063799860 /nfs/dbraw/zinc/79/98/60/1063799860.db2.gz ICDOEVSRRBJJHL-KRWDZBQOSA-N 1 0 476.423 2.793 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cc4ccccc4o3)n2CCOCC[NH+](C)C)C1 ZINC001291337839 1063805677 /nfs/dbraw/zinc/80/56/77/1063805677.db2.gz HVDBDPQBEHBMOO-IBGZPJMESA-N 1 0 454.575 2.765 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCSCC2)C1 ZINC001291338754 1063809226 /nfs/dbraw/zinc/80/92/26/1063809226.db2.gz AHNWCXRZSBLTMP-LJQANCHMSA-N 1 0 488.658 2.506 20 0 JFADRO CCN(CCCn1c(CC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)S(C)(=O)=O ZINC001295814380 1063814290 /nfs/dbraw/zinc/81/42/90/1063814290.db2.gz MEAWYAIFOCIVGN-FPOVZHCZSA-N 1 0 466.696 2.601 20 0 JFADRO CCN(CCCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295815334 1063817798 /nfs/dbraw/zinc/81/77/98/1063817798.db2.gz GVERETUUVHOYPT-UHFFFAOYSA-N 1 0 496.653 2.588 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001291340944 1063819347 /nfs/dbraw/zinc/81/93/47/1063819347.db2.gz UGSNPAZPBLVUNL-OAQYLSRUSA-N 1 0 477.613 2.824 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001295816439 1063821905 /nfs/dbraw/zinc/82/19/05/1063821905.db2.gz WSHJVCMVWSRCPK-LJQANCHMSA-N 1 0 490.674 2.845 20 0 JFADRO CC[N@H+](CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC001295816437 1063821934 /nfs/dbraw/zinc/82/19/34/1063821934.db2.gz WSHJVCMVWSRCPK-IBGZPJMESA-N 1 0 490.674 2.845 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001291341532 1063822470 /nfs/dbraw/zinc/82/24/70/1063822470.db2.gz FFHQJCOPAYACCZ-LJQANCHMSA-N 1 0 494.644 2.510 20 0 JFADRO CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1)C(C)C ZINC001295819515 1063824127 /nfs/dbraw/zinc/82/41/27/1063824127.db2.gz OTEQSBOOLQPGDR-ZDUSSCGKSA-N 1 0 453.440 2.518 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC001295820694 1063826146 /nfs/dbraw/zinc/82/61/46/1063826146.db2.gz GZMMXXCYXVUKNI-FQEVSTJZSA-N 1 0 492.632 2.551 20 0 JFADRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C)ccc2C)CC1)C1CC1 ZINC001295821542 1063827869 /nfs/dbraw/zinc/82/78/69/1063827869.db2.gz QBMHQWHKGKPOBA-UHFFFAOYSA-N 1 0 453.635 2.844 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001291343244 1063828257 /nfs/dbraw/zinc/82/82/57/1063828257.db2.gz JDVGAUZPGFAUMC-HMXCVIKNSA-N 1 0 458.582 2.719 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1)C(C)C ZINC001295822545 1063829131 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OVUFUBWPEDTSBW-UHFFFAOYSA-N 1 0 491.434 2.772 20 0 JFADRO CC[N@H+](CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295866115 1063899529 /nfs/dbraw/zinc/89/95/29/1063899529.db2.gz UROLUYBSZZBWDD-HSZRJFAPSA-N 1 0 479.622 2.742 20 0 JFADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC001295866319 1063900357 /nfs/dbraw/zinc/90/03/57/1063900357.db2.gz KBOODJPREUCGOW-NRFANRHFSA-N 1 0 458.582 2.848 20 0 JFADRO CCN(CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001295867558 1063902786 /nfs/dbraw/zinc/90/27/86/1063902786.db2.gz VIISKUVMIPHRBQ-RBUKOAKNSA-N 1 0 477.654 2.576 20 0 JFADRO CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(c2ccnn2C)CC1)C(C)C ZINC001295867743 1063903226 /nfs/dbraw/zinc/90/32/26/1063903226.db2.gz XSMRRSAMIDJCHM-UHFFFAOYSA-N 1 0 453.639 2.988 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1)C(C)C ZINC001295869513 1063906869 /nfs/dbraw/zinc/90/68/69/1063906869.db2.gz 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SUXYLFBYIHHJJC-RTWAWAEBSA-N 1 0 470.662 2.907 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001296003663 1064058978 /nfs/dbraw/zinc/05/89/78/1064058978.db2.gz VHXROIAJGRGEDF-QZTJIDSGSA-N 1 0 451.575 2.643 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(=O)NCc1ccco1 ZINC001291510061 1064061294 /nfs/dbraw/zinc/06/12/94/1064061294.db2.gz OJBRQCMFXDZALH-FQEVSTJZSA-N 1 0 471.650 2.696 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296007635 1064061361 /nfs/dbraw/zinc/06/13/61/1064061361.db2.gz FILVQVXZZJCZOS-RTBURBONSA-N 1 0 466.634 2.598 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001291510319 1064061900 /nfs/dbraw/zinc/06/19/00/1064061900.db2.gz SUPNSOKPMVHKLB-PZJWPPBQSA-N 1 0 459.683 2.701 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001291510644 1064062326 /nfs/dbraw/zinc/06/23/26/1064062326.db2.gz 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2.612 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001296082070 1064150342 /nfs/dbraw/zinc/15/03/42/1064150342.db2.gz ZZBLATWCVMRRKY-OAQYLSRUSA-N 1 0 456.639 2.656 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001296083142 1064150892 /nfs/dbraw/zinc/15/08/92/1064150892.db2.gz DGODWOCHWISVCX-IBGZPJMESA-N 1 0 470.528 2.963 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCOC ZINC001296084623 1064151675 /nfs/dbraw/zinc/15/16/75/1064151675.db2.gz NGOHTSTVMFTRRI-SFHVURJKSA-N 1 0 463.652 2.585 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296084378 1064151696 /nfs/dbraw/zinc/15/16/96/1064151696.db2.gz MMWJGSAILJGSDK-IBGZPJMESA-N 1 0 478.638 2.724 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291614261 1064151774 /nfs/dbraw/zinc/15/17/74/1064151774.db2.gz JOYIURRBCURQAG-JBACZVJFSA-N 1 0 486.665 2.725 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291614260 1064151812 /nfs/dbraw/zinc/15/18/12/1064151812.db2.gz JOYIURRBCURQAG-CEWLAPEOSA-N 1 0 486.665 2.725 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001296085261 1064153882 /nfs/dbraw/zinc/15/38/82/1064153882.db2.gz RQUAQXUBINYLSZ-FGZHOGPDSA-N 1 0 475.659 2.850 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncnc4sccc43)CC2)n1CCOCC[NH+](C)C ZINC001291618120 1064155067 /nfs/dbraw/zinc/15/50/67/1064155067.db2.gz WPHDGWCZUQGMRM-QGZVFWFLSA-N 1 0 458.636 2.701 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296086991 1064155475 /nfs/dbraw/zinc/15/54/75/1064155475.db2.gz DMDCQDBZCMQAIF-HXUWFJFHSA-N 1 0 456.591 2.505 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296086990 1064155592 /nfs/dbraw/zinc/15/55/92/1064155592.db2.gz DMDCQDBZCMQAIF-FQEVSTJZSA-N 1 0 456.591 2.505 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001291619214 1064156748 /nfs/dbraw/zinc/15/67/48/1064156748.db2.gz AFWQYLMKSGXAFB-VQTJNVASSA-N 1 0 473.691 2.900 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296088882 1064158843 /nfs/dbraw/zinc/15/88/43/1064158843.db2.gz NCEXELVNSTXOEP-IEBWSBKVSA-N 1 0 457.575 2.836 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296088695 1064158951 /nfs/dbraw/zinc/15/89/51/1064158951.db2.gz VRKUWPRFVHJJMO-IBGZPJMESA-N 1 0 454.685 2.507 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCN1CCOC[C@H]1C ZINC001291620304 1064159315 /nfs/dbraw/zinc/15/93/15/1064159315.db2.gz INSQYUOXCKAABL-FGZHOGPDSA-N 1 0 461.699 2.507 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001291620568 1064159897 /nfs/dbraw/zinc/15/98/97/1064159897.db2.gz KHWAOXKKHSISMM-LJQANCHMSA-N 1 0 454.619 2.843 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291620881 1064160387 /nfs/dbraw/zinc/16/03/87/1064160387.db2.gz LKKHYJAJDKWFRO-HXUWFJFHSA-N 1 0 459.683 2.799 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296089345 1064160526 /nfs/dbraw/zinc/16/05/26/1064160526.db2.gz OPPYJOYLOBMHCM-NRFANRHFSA-N 1 0 490.674 2.736 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296089364 1064160551 /nfs/dbraw/zinc/16/05/51/1064160551.db2.gz PDCBNSSLRJUCQU-WIYYLYMNSA-N 1 0 470.618 2.894 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCC[N@@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001296089849 1064161088 /nfs/dbraw/zinc/16/10/88/1064161088.db2.gz SOAQEAWBJKFPQK-PMACEKPBSA-N 1 0 491.658 2.850 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001296089854 1064161097 /nfs/dbraw/zinc/16/10/97/1064161097.db2.gz SOAQEAWBJKFPQK-VQTJNVASSA-N 1 0 491.658 2.850 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCN1CCOCC1 ZINC001296090723 1064162568 /nfs/dbraw/zinc/16/25/68/1064162568.db2.gz WZKFCPSXGKTNRE-OAQYLSRUSA-N 1 0 472.634 2.605 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001296092077 1064164075 /nfs/dbraw/zinc/16/40/75/1064164075.db2.gz GBSWKMFHCAAIDK-IFMALSPDSA-N 1 0 487.693 2.652 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296093543 1064165555 /nfs/dbraw/zinc/16/55/55/1064165555.db2.gz OUDODCAKMOJWGV-NRFANRHFSA-N 1 0 492.665 2.648 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001296095039 1064167593 /nfs/dbraw/zinc/16/75/93/1064167593.db2.gz GMPUVHCRCFBKKU-ZCNNSNEGSA-N 1 0 489.665 2.891 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296095237 1064167648 /nfs/dbraw/zinc/16/76/48/1064167648.db2.gz FGXWVSRHZNIDJG-KSZLIROESA-N 1 0 475.556 2.770 20 0 JFADRO CCN1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1=O ZINC001296096323 1064170137 /nfs/dbraw/zinc/17/01/37/1064170137.db2.gz NOWCSTAXJDOJHC-QFIPXVFZSA-N 1 0 468.646 2.925 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001296098371 1064171238 /nfs/dbraw/zinc/17/12/38/1064171238.db2.gz XLGSAGGESTXRDY-AABGKKOBSA-N 1 0 489.665 2.891 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291628837 1064172582 /nfs/dbraw/zinc/17/25/82/1064172582.db2.gz PMAKJFSEHBHAKR-SQJMNOBHSA-N 1 0 491.750 2.754 20 0 JFADRO CCN1CCCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC001296100213 1064173794 /nfs/dbraw/zinc/17/37/94/1064173794.db2.gz GFRJLVBGCSNWEP-UWJYYQICSA-N 1 0 458.582 2.956 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291631426 1064177757 /nfs/dbraw/zinc/17/77/57/1064177757.db2.gz VLXNLJLMOXPJPS-FCHUYYIVSA-N 1 0 461.699 2.902 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+](CC)CC)CC1=O ZINC001296102447 1064178007 /nfs/dbraw/zinc/17/80/07/1064178007.db2.gz HFBPITSZXXBKJE-OAHLLOKOSA-N 1 0 466.428 2.825 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001291632251 1064179737 /nfs/dbraw/zinc/17/97/37/1064179737.db2.gz LQWZPZVHGZWPGW-GMAHTHKFSA-N 1 0 467.662 2.572 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001291633183 1064182722 /nfs/dbraw/zinc/18/27/22/1064182722.db2.gz RELLRZAKOAMYAS-CWBXHPNXSA-N 1 0 473.710 2.950 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC001296105781 1064184000 /nfs/dbraw/zinc/18/40/00/1064184000.db2.gz LWZWKYDKGMWVNV-GOSISDBHSA-N 1 0 461.010 2.625 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1CCCn1cc(CO)nn1 ZINC001291637116 1064184696 /nfs/dbraw/zinc/18/46/96/1064184696.db2.gz DFJWTOPNGIVJSP-UXHICEINSA-N 1 0 452.607 2.676 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291637701 1064185190 /nfs/dbraw/zinc/18/51/90/1064185190.db2.gz BRBBHICQGQNWAE-UYAOXDASSA-N 1 0 488.599 2.603 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291639042 1064186810 /nfs/dbraw/zinc/18/68/10/1064186810.db2.gz OVGAZYWHTOASTP-TZIWHRDSSA-N 1 0 488.706 2.513 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCC[C@H](O)C1 ZINC001291640384 1064189477 /nfs/dbraw/zinc/18/94/77/1064189477.db2.gz RQAIQXONCQUIHG-CWBXHPNXSA-N 1 0 462.683 2.574 20 0 JFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O ZINC001291640485 1064190099 /nfs/dbraw/zinc/19/00/99/1064190099.db2.gz FMCKWCAQLXVXFS-RTBURBONSA-N 1 0 458.603 2.770 20 0 JFADRO CC(=O)N[C@@H](CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccc(F)cc1F ZINC001291640647 1064190169 /nfs/dbraw/zinc/19/01/69/1064190169.db2.gz HPFQZKJUJRABDT-QFIPXVFZSA-N 1 0 458.509 2.868 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291643380 1064194563 /nfs/dbraw/zinc/19/45/63/1064194563.db2.gz IGFFZRNSYUQYAV-HXUWFJFHSA-N 1 0 493.678 2.554 20 0 JFADRO CCN1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001296113186 1064195086 /nfs/dbraw/zinc/19/50/86/1064195086.db2.gz QDCVPIOAJJPWKI-NRFANRHFSA-N 1 0 453.635 2.835 20 0 JFADRO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCCC2)CC1=O ZINC001296116892 1064197265 /nfs/dbraw/zinc/19/72/65/1064197265.db2.gz IQXUTPOTWNKNMQ-OAQYLSRUSA-N 1 0 454.619 2.956 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001291644301 1064197274 /nfs/dbraw/zinc/19/72/74/1064197274.db2.gz WFRGQLDHDFEGBG-KJJMTIBFSA-N 1 0 480.723 2.611 20 0 JFADRO CCN(CCc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296118513 1064201055 /nfs/dbraw/zinc/20/10/55/1064201055.db2.gz CZHFIIFCMWOEGJ-HXUWFJFHSA-N 1 0 473.691 2.671 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001296118683 1064201428 /nfs/dbraw/zinc/20/14/28/1064201428.db2.gz HBSGATWALGHSKK-NRFANRHFSA-N 1 0 459.683 2.656 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001296119799 1064206370 /nfs/dbraw/zinc/20/63/70/1064206370.db2.gz XCBLGPZQZQFGES-FQEVSTJZSA-N 1 0 485.702 2.898 20 0 JFADRO CCN(CC1CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296119941 1064207123 /nfs/dbraw/zinc/20/71/23/1064207123.db2.gz CAHHPSXXYZOEDV-LJQANCHMSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296120120 1064208157 /nfs/dbraw/zinc/20/81/57/1064208157.db2.gz FDPFJNAHVSPNBC-WOJBJXKFSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296120335 1064209383 /nfs/dbraw/zinc/20/93/83/1064209383.db2.gz HNYITWJQNJBMIR-MIZPHKNDSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296120583 1064210526 /nfs/dbraw/zinc/21/05/26/1064210526.db2.gz JSXNYMJVKOWFGL-HBMCJLEFSA-N 1 0 488.702 2.857 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001296120584 1064211023 /nfs/dbraw/zinc/21/10/23/1064211023.db2.gz JSXNYMJVKOWFGL-NJDAHSKKSA-N 1 0 488.702 2.857 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](c3noc(C)n3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291666814 1064211515 /nfs/dbraw/zinc/21/15/15/1064211515.db2.gz FAPFJKCQQMMGJF-IMBTUZDBSA-N 1 0 461.611 2.949 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001296121520 1064212664 /nfs/dbraw/zinc/21/26/64/1064212664.db2.gz PHRALWJEVPADTB-LJQANCHMSA-N 1 0 461.058 2.803 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(Cc2cccs2)C2CC2)CC1 ZINC001296122098 1064214133 /nfs/dbraw/zinc/21/41/33/1064214133.db2.gz SUINLQGHUYEAJK-GOSISDBHSA-N 1 0 459.664 2.673 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296122278 1064214699 /nfs/dbraw/zinc/21/46/99/1064214699.db2.gz VBSHEFRSFMWZIB-KRWDZBQOSA-N 1 0 496.006 2.733 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001296122892 1064215826 /nfs/dbraw/zinc/21/58/26/1064215826.db2.gz ZVXRMMPBXQMZEZ-PMACEKPBSA-N 1 0 478.645 2.528 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291679978 1064216181 /nfs/dbraw/zinc/21/61/81/1064216181.db2.gz BXPSYUPHPTVQPW-UXHICEINSA-N 1 0 478.707 2.837 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCc2cnccn2)CC1 ZINC001296124561 1064217458 /nfs/dbraw/zinc/21/74/58/1064217458.db2.gz IHOJCYVXDGDTAH-IBGZPJMESA-N 1 0 452.582 2.579 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296124804 1064217622 /nfs/dbraw/zinc/21/76/22/1064217622.db2.gz JDFYGJZAXQNPMJ-WOJBJXKFSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296125579 1064219613 /nfs/dbraw/zinc/21/96/13/1064219613.db2.gz MYBIKTKXAZAAOL-GOSISDBHSA-N 1 0 474.053 2.587 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296126101 1064220086 /nfs/dbraw/zinc/22/00/86/1064220086.db2.gz PNXUHKCWFSRVLL-OAHLLOKOSA-N 1 0 454.497 2.698 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296126464 1064220727 /nfs/dbraw/zinc/22/07/27/1064220727.db2.gz QKPMUZBDWAGCID-RBUKOAKNSA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296126840 1064220822 /nfs/dbraw/zinc/22/08/22/1064220822.db2.gz RWIZWZLBNPTKTF-GOSISDBHSA-N 1 0 462.042 2.587 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296127625 1064221953 /nfs/dbraw/zinc/22/19/53/1064221953.db2.gz VQXHGYICBZJENI-HXUWFJFHSA-N 1 0 481.645 2.926 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296130052 1064223783 /nfs/dbraw/zinc/22/37/83/1064223783.db2.gz BDGHESDDPJNPLB-GOSISDBHSA-N 1 0 454.648 2.691 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130788 1064224071 /nfs/dbraw/zinc/22/40/71/1064224071.db2.gz FVWILAQCGXLBPA-QHAWAJNXSA-N 1 0 491.681 2.649 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130786 1064224163 /nfs/dbraw/zinc/22/41/63/1064224163.db2.gz FVWILAQCGXLBPA-HKBOAZHASA-N 1 0 491.681 2.649 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296130808 1064224688 /nfs/dbraw/zinc/22/46/88/1064224688.db2.gz GMCLSZAXOGXBMS-LJQANCHMSA-N 1 0 455.582 2.954 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131186 1064225149 /nfs/dbraw/zinc/22/51/49/1064225149.db2.gz HZBKQZPBYQEOET-OALUTQOASA-N 1 0 488.633 2.602 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001296131380 1064225806 /nfs/dbraw/zinc/22/58/06/1064225806.db2.gz JNVZEMJOGJMWHM-HNNXBMFYSA-N 1 0 478.523 2.618 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CC3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001296131537 1064226006 /nfs/dbraw/zinc/22/60/06/1064226006.db2.gz LMVIIOFPIJDLKQ-GOSISDBHSA-N 1 0 474.053 2.985 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131732 1064226353 /nfs/dbraw/zinc/22/63/53/1064226353.db2.gz LRABRJZOWDRNAV-JKSUJKDBSA-N 1 0 487.596 2.920 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cc3ccccc3)CC2)CC1 ZINC001296131985 1064227888 /nfs/dbraw/zinc/22/78/88/1064227888.db2.gz PHLRCKKXEUUTSK-HSZRJFAPSA-N 1 0 495.716 2.784 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296132030 1064228000 /nfs/dbraw/zinc/22/80/00/1064228000.db2.gz QCNAZZJVARMFKQ-PXNSSMCTSA-N 1 0 484.542 2.802 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296132031 1064228468 /nfs/dbraw/zinc/22/84/68/1064228468.db2.gz QCNAZZJVARMFKQ-XLIONFOSSA-N 1 0 484.542 2.802 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296132243 1064228749 /nfs/dbraw/zinc/22/87/49/1064228749.db2.gz AAQWDLWRWQZXBR-HFZDXXHNSA-N 1 0 486.661 2.897 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291723645 1064229451 /nfs/dbraw/zinc/22/94/51/1064229451.db2.gz XVLIXGHIKSYJNM-ACRUOGEOSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccccc2C)CC1 ZINC001296132525 1064230174 /nfs/dbraw/zinc/23/01/74/1064230174.db2.gz RECSQLBOLZXTAM-BHIFYINESA-N 1 0 488.702 2.712 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296132436 1064230217 /nfs/dbraw/zinc/23/02/17/1064230217.db2.gz UDDJICTYQNFPDO-UNMCSNQZSA-N 1 0 455.651 2.541 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296132941 1064232532 /nfs/dbraw/zinc/23/25/32/1064232532.db2.gz FCAQUBBXTSHUIX-JOCHJYFZSA-N 1 0 475.726 2.584 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296132975 1064232632 /nfs/dbraw/zinc/23/26/32/1064232632.db2.gz YATWHBQPKWNWKM-FQEVSTJZSA-N 1 0 450.672 2.525 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296132976 1064232722 /nfs/dbraw/zinc/23/27/22/1064232722.db2.gz YATWHBQPKWNWKM-HXUWFJFHSA-N 1 0 450.672 2.525 20 0 JFADRO CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296133383 1064233532 /nfs/dbraw/zinc/23/35/32/1064233532.db2.gz TXTJQLGFGWDREA-NHTMILBNSA-N 1 0 470.662 2.676 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296133597 1064234437 /nfs/dbraw/zinc/23/44/37/1064234437.db2.gz JNXNFROKTUWPKE-FCHUYYIVSA-N 1 0 456.635 2.725 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291751874 1064234777 /nfs/dbraw/zinc/23/47/77/1064234777.db2.gz GNKQDGGGGGPGQT-SFHVURJKSA-N 1 0 477.654 2.738 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296133847 1064235012 /nfs/dbraw/zinc/23/50/12/1064235012.db2.gz VPIYUSCOLVHVKW-MRXNPFEDSA-N 1 0 456.557 2.919 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134301 1064235256 /nfs/dbraw/zinc/23/52/56/1064235256.db2.gz XYUCCZYGMOHPHP-VXKWHMMOSA-N 1 0 455.651 2.662 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134381 1064235697 /nfs/dbraw/zinc/23/56/97/1064235697.db2.gz OJZRVCXDSRZDSC-AZUAARDMSA-N 1 0 499.626 2.542 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134382 1064235819 /nfs/dbraw/zinc/23/58/19/1064235819.db2.gz OJZRVCXDSRZDSC-ICSRJNTNSA-N 1 0 499.626 2.542 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001291754363 1064236248 /nfs/dbraw/zinc/23/62/48/1064236248.db2.gz SJEUPTAMZGRXNF-LEWJYISDSA-N 1 0 487.693 2.719 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296134941 1064237984 /nfs/dbraw/zinc/23/79/84/1064237984.db2.gz TUHQUROUDRTMRG-WIOPSUGQSA-N 1 0 472.682 2.561 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296135000 1064238036 /nfs/dbraw/zinc/23/80/36/1064238036.db2.gz UMOKBNASRWIWMT-OUMCCJGNSA-N 1 0 462.683 2.827 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291758615 1064238561 /nfs/dbraw/zinc/23/85/61/1064238561.db2.gz ASWNTNMETHHPDQ-UYAOXDASSA-N 1 0 469.590 2.518 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001291758712 1064238587 /nfs/dbraw/zinc/23/85/87/1064238587.db2.gz BTYJLIOAUKCBID-KRWDZBQOSA-N 1 0 463.577 2.751 20 0 JFADRO 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2.908 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001291775804 1064264916 /nfs/dbraw/zinc/26/49/16/1064264916.db2.gz ZQLPQOSHARDIQV-XMSQKQJNSA-N 1 0 491.658 2.924 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001291776998 1064265303 /nfs/dbraw/zinc/26/53/03/1064265303.db2.gz APSFUSVBUDJHBG-XZOQPEGZSA-N 1 0 496.704 2.517 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001296154473 1064265559 /nfs/dbraw/zinc/26/55/59/1064265559.db2.gz FWCRCAUSZHTXJM-YOEHRIQHSA-N 1 0 452.481 2.707 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778134 1064266255 /nfs/dbraw/zinc/26/62/55/1064266255.db2.gz HUGUSDBIBKSGAG-WOJBJXKFSA-N 1 0 492.665 2.934 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001291778323 1064266316 /nfs/dbraw/zinc/26/63/16/1064266316.db2.gz HZQSFSPYGUZMBP-FXAWDEMLSA-N 1 0 451.612 2.752 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291778341 1064266339 /nfs/dbraw/zinc/26/63/39/1064266339.db2.gz IFAAFNHZJNLBLM-IBGZPJMESA-N 1 0 452.582 2.855 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001291778409 1064266357 /nfs/dbraw/zinc/26/63/57/1064266357.db2.gz JHOWJNGERPAOKN-FQEVSTJZSA-N 1 0 477.613 2.662 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001296154806 1064266460 /nfs/dbraw/zinc/26/64/60/1064266460.db2.gz KGARZUDPMOFPRH-GFCCVEGCSA-N 1 0 469.903 2.720 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)C[C@@H]1C ZINC001296154965 1064266480 /nfs/dbraw/zinc/26/64/80/1064266480.db2.gz LTJMWVLCGQUQGL-LPHOPBHVSA-N 1 0 480.535 2.887 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291778707 1064266783 /nfs/dbraw/zinc/26/67/83/1064266783.db2.gz KUOITKPNVCPEKE-SFHVURJKSA-N 1 0 480.654 2.599 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn32)CC1 ZINC001291778763 1064266863 /nfs/dbraw/zinc/26/68/63/1064266863.db2.gz LWLFGAZBEASJQD-SFHVURJKSA-N 1 0 468.654 2.670 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001296155306 1064266997 /nfs/dbraw/zinc/26/69/97/1064266997.db2.gz NWTJZTSGPQINCW-CYBMUJFWSA-N 1 0 452.510 2.984 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)C[C@@H]1C ZINC001296155721 1064267556 /nfs/dbraw/zinc/26/75/56/1064267556.db2.gz SADNMWUNJFGWOY-RXVVDRJESA-N 1 0 467.618 2.793 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)CC(C)C)c2)C[C@H]1C ZINC001296155723 1064267661 /nfs/dbraw/zinc/26/76/61/1064267661.db2.gz SADNMWUNJFGWOY-WIYYLYMNSA-N 1 0 467.618 2.793 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001291781303 1064268401 /nfs/dbraw/zinc/26/84/01/1064268401.db2.gz DIIKHMYVAHTWDN-UYAOXDASSA-N 1 0 461.680 2.523 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296156109 1064268609 /nfs/dbraw/zinc/26/86/09/1064268609.db2.gz SPDSKTOIPVDNEG-UZLBHIALSA-N 1 0 458.561 2.790 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001291781430 1064268810 /nfs/dbraw/zinc/26/88/10/1064268810.db2.gz ZVXLSCSPPRDHJS-YVWKXTFCSA-N 1 0 464.010 2.613 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 ZINC001291781978 1064269618 /nfs/dbraw/zinc/26/96/18/1064269618.db2.gz KHPSVWRUVCAHMI-FQEVSTJZSA-N 1 0 477.613 2.662 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001291782029 1064270051 /nfs/dbraw/zinc/27/00/51/1064270051.db2.gz LJHGSTIRWRYZPB-UNMCSNQZSA-N 1 0 453.635 2.740 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001296157572 1064270476 /nfs/dbraw/zinc/27/04/76/1064270476.db2.gz ZRYAUUDRPJVFKR-HNNXBMFYSA-N 1 0 462.480 2.650 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296157843 1064271339 /nfs/dbraw/zinc/27/13/39/1064271339.db2.gz FYBILXFYIXGGCR-FPOVZHCZSA-N 1 0 456.639 2.654 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H](COC)OC)C[C@H]1C ZINC001296158738 1064271631 /nfs/dbraw/zinc/27/16/31/1064271631.db2.gz IRSSFQBBCHJAPI-QUCCMNQESA-N 1 0 480.654 2.584 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001291782782 1064273413 /nfs/dbraw/zinc/27/34/13/1064273413.db2.gz GTQKIPALEPCPHD-BWAGFHJFSA-N 1 0 470.618 2.843 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001291782783 1064273503 /nfs/dbraw/zinc/27/35/03/1064273503.db2.gz GTQKIPALEPCPHD-NYVOZVTQSA-N 1 0 470.618 2.843 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 ZINC001291783012 1064274684 /nfs/dbraw/zinc/27/46/84/1064274684.db2.gz WYNNCBSBTFMUII-IBGZPJMESA-N 1 0 466.634 2.921 20 0 JFADRO 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CC[C@@H](C)[N@H+](C)CCn1c(COc2cc(C)ccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001291783921 1064278157 /nfs/dbraw/zinc/27/81/57/1064278157.db2.gz PITWTXQHMXABGQ-WOJBJXKFSA-N 1 0 463.648 2.828 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291783942 1064278262 /nfs/dbraw/zinc/27/82/62/1064278262.db2.gz PPFSYVCRABMTSN-IBGZPJMESA-N 1 0 463.648 2.909 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001291784433 1064279447 /nfs/dbraw/zinc/27/94/47/1064279447.db2.gz RASJLXZAPHOVFO-HYBUGGRVSA-N 1 0 475.659 2.911 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001291784910 1064280076 /nfs/dbraw/zinc/28/00/76/1064280076.db2.gz STZZLCCBMCWINA-DFIYOIEZSA-N 1 0 473.618 2.980 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 ZINC001291785383 1064281020 /nfs/dbraw/zinc/28/10/20/1064281020.db2.gz VMHJXYSHKNNONC-LJQANCHMSA-N 1 0 468.581 2.843 20 0 JFADRO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC001291786894 1064283510 /nfs/dbraw/zinc/28/35/10/1064283510.db2.gz WVVLUEREYLCKGV-NRFANRHFSA-N 1 0 457.546 2.927 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296165396 1064283801 /nfs/dbraw/zinc/28/38/01/1064283801.db2.gz ISALREGYPKPTAE-PXNSSMCTSA-N 1 0 475.588 2.512 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296164877 1064284193 /nfs/dbraw/zinc/28/41/93/1064284193.db2.gz FKLWQKZJKGLKIW-IBGZPJMESA-N 1 0 474.654 2.973 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc(Br)cn2)C[C@H]1C ZINC001296164899 1064284279 /nfs/dbraw/zinc/28/42/79/1064284279.db2.gz FXZTYNKQWDMFNR-GOSISDBHSA-N 1 0 490.454 2.719 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001296165854 1064285498 /nfs/dbraw/zinc/28/54/98/1064285498.db2.gz BHXYVAANFRTOPQ-ISKFKSNPSA-N 1 0 454.663 2.951 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001296166701 1064287605 /nfs/dbraw/zinc/28/76/05/1064287605.db2.gz ONINIWKIAJOSNR-SFHVURJKSA-N 1 0 468.631 2.697 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001296167014 1064288729 /nfs/dbraw/zinc/28/87/29/1064288729.db2.gz PQPRZIQCAJOJSG-LJQANCHMSA-N 1 0 483.617 2.744 20 0 JFADRO CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001291794646 1064296842 /nfs/dbraw/zinc/29/68/42/1064296842.db2.gz VATUACPRXUAXFI-WEMPKCCASA-N 1 0 481.645 2.725 20 0 JFADRO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cn1 ZINC001296173873 1064299563 /nfs/dbraw/zinc/29/95/63/1064299563.db2.gz MLOBVVDNGZNZTP-JOCHJYFZSA-N 1 0 454.667 2.907 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296174441 1064302102 /nfs/dbraw/zinc/30/21/02/1064302102.db2.gz QPILIONQBQCFGA-AUSIDOKSSA-N 1 0 483.661 2.646 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296175192 1064303665 /nfs/dbraw/zinc/30/36/65/1064303665.db2.gz VLPQCOGEANXVAY-LJQANCHMSA-N 1 0 461.632 2.521 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296175190 1064303838 /nfs/dbraw/zinc/30/38/38/1064303838.db2.gz VLPQCOGEANXVAY-IBGZPJMESA-N 1 0 461.632 2.521 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CC[S@@](=O)C(C)(C)C)C2)CC1 ZINC001296179575 1064309259 /nfs/dbraw/zinc/30/92/59/1064309259.db2.gz HHYMJDSLJKKJAI-PKHCJMHPSA-N 1 0 450.697 2.699 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180608 1064312430 /nfs/dbraw/zinc/31/24/30/1064312430.db2.gz OOZKSBQGHSORGB-GGAORHGYSA-N 1 0 499.679 2.566 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)C1=O ZINC001296180981 1064312969 /nfs/dbraw/zinc/31/29/69/1064312969.db2.gz QQWNWLXCYXJGOB-UHFFFAOYSA-N 1 0 489.709 2.828 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001291802852 1064314138 /nfs/dbraw/zinc/31/41/38/1064314138.db2.gz GNHANKJLCKWLLQ-UYAOXDASSA-N 1 0 489.068 2.515 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291803326 1064316320 /nfs/dbraw/zinc/31/63/20/1064316320.db2.gz KHSMJXQSFLSVOG-SFTDATJTSA-N 1 0 484.645 2.807 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C(C)(C)O)cc3)C2)CC1 ZINC001296181863 1064319343 /nfs/dbraw/zinc/31/93/43/1064319343.db2.gz FOVKSKXSJAAARN-QHCPKHFHSA-N 1 0 454.663 2.969 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)CC1 ZINC001296181859 1064319438 /nfs/dbraw/zinc/31/94/38/1064319438.db2.gz FOEPBCXDPVWGJO-WYOOIXGGSA-N 1 0 472.703 2.620 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181894 1064319993 /nfs/dbraw/zinc/31/99/93/1064319993.db2.gz GPELFECPYIOFKJ-LJQANCHMSA-N 1 0 499.651 2.853 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296182359 1064322417 /nfs/dbraw/zinc/32/24/17/1064322417.db2.gz QSDAIWYBLOLOHC-BVAGGSTKSA-N 1 0 454.663 2.687 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296182921 1064325209 /nfs/dbraw/zinc/32/52/09/1064325209.db2.gz AZKUUYFXDGUKIC-RTWAWAEBSA-N 1 0 487.718 2.963 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296182990 1064326098 /nfs/dbraw/zinc/32/60/98/1064326098.db2.gz XJQHYVHXWYFYFU-NZQKXSOJSA-N 1 0 470.662 2.973 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CC(C)(C)OC)C2)CC1 ZINC001296183191 1064327788 /nfs/dbraw/zinc/32/77/88/1064327788.db2.gz ZYSUTIRSEPTCED-NJDAHSKKSA-N 1 0 462.683 2.838 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296183815 1064329671 /nfs/dbraw/zinc/32/96/71/1064329671.db2.gz GNFSTACYUYTVSP-NZQKXSOJSA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CC1 ZINC001296184051 1064330393 /nfs/dbraw/zinc/33/03/93/1064330393.db2.gz IPUMOYBSYGFYCO-KRWDZBQOSA-N 1 0 497.457 2.761 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001296184086 1064331238 /nfs/dbraw/zinc/33/12/38/1064331238.db2.gz IVGBQCJRGDWXBC-ROUUACIJSA-N 1 0 492.043 2.678 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOCC2)CC1 ZINC001296184700 1064332140 /nfs/dbraw/zinc/33/21/40/1064332140.db2.gz MITGRLYYARPYAR-SFHVURJKSA-N 1 0 463.026 2.717 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOCC2)CC1 ZINC001296184699 1064332357 /nfs/dbraw/zinc/33/23/57/1064332357.db2.gz MITGRLYYARPYAR-GOSISDBHSA-N 1 0 463.026 2.717 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOCC2)CC1 ZINC001296186600 1064334404 /nfs/dbraw/zinc/33/44/04/1064334404.db2.gz WWEVBWQLSQYHCD-SFHVURJKSA-N 1 0 477.451 2.818 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nnc2N(C)OC)CC1 ZINC001296190363 1064337736 /nfs/dbraw/zinc/33/77/36/1064337736.db2.gz CODHTXQTMQDVFV-IBGZPJMESA-N 1 0 479.670 2.664 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190366 1064337891 /nfs/dbraw/zinc/33/78/91/1064337891.db2.gz CPLOLIXWMVTKGT-QZTJIDSGSA-N 1 0 456.557 2.754 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296190389 1064338783 /nfs/dbraw/zinc/33/87/83/1064338783.db2.gz CUWFZPCVXIJVIY-JOCHJYFZSA-N 1 0 473.710 2.732 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296190697 1064340433 /nfs/dbraw/zinc/34/04/33/1064340433.db2.gz DYDFIVHPKCTTLP-NRFANRHFSA-N 1 0 485.652 2.758 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001296191525 1064341997 /nfs/dbraw/zinc/34/19/97/1064341997.db2.gz BDYOUKMIABCGQA-VQTJNVASSA-N 1 0 488.080 2.835 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N(C)C3CCC4(CC3)OCCO4)nnc2C(C)(C)C)CC1 ZINC001296191836 1064343453 /nfs/dbraw/zinc/34/34/53/1064343453.db2.gz CFEHJMZPLVQESX-HXUWFJFHSA-N 1 0 462.683 2.971 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CC[C@@](O)(Cc3cccc(Cl)c3)C2)CC1 ZINC001296192849 1064347474 /nfs/dbraw/zinc/34/74/74/1064347474.db2.gz GRMVBILTADDQQF-XMMPIXPASA-N 1 0 461.054 2.842 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001291817819 1064351580 /nfs/dbraw/zinc/35/15/80/1064351580.db2.gz NSWNKTSURWXCQF-HXUWFJFHSA-N 1 0 486.636 2.861 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296193564 1064351594 /nfs/dbraw/zinc/35/15/94/1064351594.db2.gz JSAQNECAAJNSPA-WOJBJXKFSA-N 1 0 488.080 2.929 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001296193960 1064353377 /nfs/dbraw/zinc/35/33/77/1064353377.db2.gz KRPHBDGXDBRYTD-HXUWFJFHSA-N 1 0 454.623 2.579 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001291818265 1064353950 /nfs/dbraw/zinc/35/39/50/1064353950.db2.gz SLNQBOSANSCABJ-RBBKRZOGSA-N 1 0 453.635 2.881 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194079 1064353954 /nfs/dbraw/zinc/35/39/54/1064353954.db2.gz LHOBQRRAWKGUCV-QKNQBKEWSA-N 1 0 475.682 2.779 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194095 1064354014 /nfs/dbraw/zinc/35/40/14/1064354014.db2.gz LMZBKVWWCBWGAG-GOSISDBHSA-N 1 0 495.594 2.905 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296194147 1064354802 /nfs/dbraw/zinc/35/48/02/1064354802.db2.gz MAOREIUCXCFWJW-LEWJYISDSA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194444 1064356202 /nfs/dbraw/zinc/35/62/02/1064356202.db2.gz SKIKHCXBMABKOY-UYAOXDASSA-N 1 0 461.680 2.847 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001296194422 1064356250 /nfs/dbraw/zinc/35/62/50/1064356250.db2.gz SGTTXFKQCDTGDN-VXKWHMMOSA-N 1 0 464.699 2.771 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001296194692 1064357043 /nfs/dbraw/zinc/35/70/43/1064357043.db2.gz NWLMHZWWPYUNKA-HXUWFJFHSA-N 1 0 470.666 2.793 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001296194980 1064358212 /nfs/dbraw/zinc/35/82/12/1064358212.db2.gz UIDDZFKJCZZNNS-UXHICEINSA-N 1 0 473.691 2.933 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195638 1064359781 /nfs/dbraw/zinc/35/97/81/1064359781.db2.gz PRWHKFYQBJRPTH-IFMALSPDSA-N 1 0 498.676 2.717 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296195691 1064362519 /nfs/dbraw/zinc/36/25/19/1064362519.db2.gz QHSGFGMZCAXMRG-UXHICEINSA-N 1 0 488.080 2.964 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296196052 1064363321 /nfs/dbraw/zinc/36/33/21/1064363321.db2.gz RFFYGTCXGXHNSI-OAQYLSRUSA-N 1 0 455.651 2.867 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001296195840 1064364359 /nfs/dbraw/zinc/36/43/59/1064364359.db2.gz QQCIOAHXRIUZLW-RTBURBONSA-N 1 0 485.599 2.566 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001291822591 1064364627 /nfs/dbraw/zinc/36/46/27/1064364627.db2.gz KVVGDAZZHNJTLN-VABKMULXSA-N 1 0 497.688 2.561 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291822593 1064364677 /nfs/dbraw/zinc/36/46/77/1064364677.db2.gz KVVGDAZZHNJTLN-ZLNRFVROSA-N 1 0 497.688 2.561 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296196086 1064364706 /nfs/dbraw/zinc/36/47/06/1064364706.db2.gz RVWOUTGGARUHIA-NRFANRHFSA-N 1 0 498.676 2.671 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296196507 1064368116 /nfs/dbraw/zinc/36/81/16/1064368116.db2.gz UDVYINJFELCEPK-RTBURBONSA-N 1 0 474.053 2.539 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001296196948 1064371030 /nfs/dbraw/zinc/37/10/30/1064371030.db2.gz WWSICMZKMBFTDW-MZKRTTBSSA-N 1 0 483.661 2.709 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296197002 1064372020 /nfs/dbraw/zinc/37/20/20/1064372020.db2.gz XUCDIXVHMRRXMI-RJGXRXQPSA-N 1 0 475.726 2.755 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296197390 1064374067 /nfs/dbraw/zinc/37/40/67/1064374067.db2.gz XSIQJJZYVQBPLM-PKTZIBPZSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3F)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296197514 1064374543 /nfs/dbraw/zinc/37/45/43/1064374543.db2.gz YKFKPDOHVLIWKB-HXUWFJFHSA-N 1 0 471.625 2.559 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001296202618 1064378621 /nfs/dbraw/zinc/37/86/21/1064378621.db2.gz GQCSHJTZCOFHDZ-VWLOTQADSA-N 1 0 472.682 2.563 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3F)nnc2N2CCC(CO)CC2)CC1 ZINC001296202766 1064379137 /nfs/dbraw/zinc/37/91/37/1064379137.db2.gz HWELJXXROUJQJE-UHFFFAOYSA-N 1 0 458.626 2.634 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C ZINC001291828490 1064379896 /nfs/dbraw/zinc/37/98/96/1064379896.db2.gz PJRSONWDONLVOW-HXUWFJFHSA-N 1 0 461.699 2.875 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296204039 1064382842 /nfs/dbraw/zinc/38/28/42/1064382842.db2.gz POUDMZMDVDBYAR-GOSISDBHSA-N 1 0 477.604 2.920 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC001296204038 1064382971 /nfs/dbraw/zinc/38/29/71/1064382971.db2.gz POJBTCRRVYMQPP-OAQYLSRUSA-N 1 0 461.699 2.806 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001291829089 1064384023 /nfs/dbraw/zinc/38/40/23/1064384023.db2.gz JUAJMJAKEVXGCJ-HXUWFJFHSA-N 1 0 461.699 2.877 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296204622 1064386340 /nfs/dbraw/zinc/38/63/40/1064386340.db2.gz UHLKSABNLMQXFU-FQEVSTJZSA-N 1 0 460.598 2.639 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)C2)CC1 ZINC001296205182 1064389315 /nfs/dbraw/zinc/38/93/15/1064389315.db2.gz XZPDLSZTYSNCBG-IBGZPJMESA-N 1 0 459.664 2.534 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296205183 1064389392 /nfs/dbraw/zinc/38/93/92/1064389392.db2.gz XZPDLSZTYSNCBG-LJQANCHMSA-N 1 0 459.664 2.534 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)CC1 ZINC001296205256 1064389974 /nfs/dbraw/zinc/38/99/74/1064389974.db2.gz ZXVFCIAMVWKSGD-NRFANRHFSA-N 1 0 491.681 2.604 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001291830728 1064390113 /nfs/dbraw/zinc/39/01/13/1064390113.db2.gz XMWRTMMAHSEUFZ-NHCUHLMSSA-N 1 0 461.699 2.734 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296205659 1064391814 /nfs/dbraw/zinc/39/18/14/1064391814.db2.gz CXLQRKCWIWEZMW-UHFFFAOYSA-N 1 0 469.556 2.558 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296205898 1064392592 /nfs/dbraw/zinc/39/25/92/1064392592.db2.gz FOSBGWZFWIXLCF-LJQANCHMSA-N 1 0 472.634 2.845 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001296206224 1064394022 /nfs/dbraw/zinc/39/40/22/1064394022.db2.gz KLXHGAFWTSFMNL-KRWDZBQOSA-N 1 0 494.471 2.946 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001296207288 1064397112 /nfs/dbraw/zinc/39/71/12/1064397112.db2.gz WIPWZOQAGBCZQC-WOJBJXKFSA-N 1 0 474.675 2.611 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001291832673 1064397849 /nfs/dbraw/zinc/39/78/49/1064397849.db2.gz HTPDOHMRAUNCJI-OFNKIYASSA-N 1 0 467.662 2.630 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296211842 1064402855 /nfs/dbraw/zinc/40/28/55/1064402855.db2.gz QEALFUCEWBZBIC-XMMPIXPASA-N 1 0 473.691 2.924 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCCC[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296212564 1064404287 /nfs/dbraw/zinc/40/42/87/1064404287.db2.gz ABYMENDCRSQJNO-DHLKQENFSA-N 1 0 462.683 2.973 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296212569 1064404542 /nfs/dbraw/zinc/40/45/42/1064404542.db2.gz ABYMENDCRSQJNO-RDGATRHJSA-N 1 0 462.683 2.973 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CSc3ccccc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296213055 1064406616 /nfs/dbraw/zinc/40/66/16/1064406616.db2.gz FTSMSGWFGSNSSX-HXUWFJFHSA-N 1 0 474.675 2.832 20 0 JFADRO CCn1nc(-c2nnc(N(C)C[C@@H]3CCCCO3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296213197 1064407107 /nfs/dbraw/zinc/40/71/07/1064407107.db2.gz BALLNHMWWMZATQ-ROUUACIJSA-N 1 0 453.591 2.630 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291834181 1064408087 /nfs/dbraw/zinc/40/80/87/1064408087.db2.gz UVNJVGPTCSSRRL-FCHUYYIVSA-N 1 0 497.688 2.722 20 0 JFADRO CCn1nc(-c2nnc(N(C)CCC(=O)NC)n2CCC[N@@H+]2CCCC[C@@H]2C)c2ccccc2c1=O ZINC001296213509 1064409448 /nfs/dbraw/zinc/40/94/48/1064409448.db2.gz FQFKENTXGUUREK-IBGZPJMESA-N 1 0 494.644 2.512 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296216209 1064422380 /nfs/dbraw/zinc/42/23/80/1064422380.db2.gz IOJFXNHQTRRVGM-ULQDDVLXSA-N 1 0 455.632 2.955 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2CCCCC2)CC1 ZINC001291838750 1064427222 /nfs/dbraw/zinc/42/72/22/1064427222.db2.gz FDTVIOCRBUUPTL-NRFANRHFSA-N 1 0 461.699 2.779 20 0 JFADRO CCn1nc(-c2nnc(N3CC=C(COC)CC3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296217338 1064427236 /nfs/dbraw/zinc/42/72/36/1064427236.db2.gz YOPMDMMDFRUCHN-UHFFFAOYSA-N 1 0 465.602 2.798 20 0 JFADRO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCNC(C)=O)c2ccccc2c1=O ZINC001296219076 1064431621 /nfs/dbraw/zinc/43/16/21/1064431621.db2.gz GPKLHOYSRHICIL-UHFFFAOYSA-N 1 0 494.644 2.512 20 0 JFADRO CCn1nc(-c2nnc(N3CCC[C@@H](OC)C3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001296219507 1064433178 /nfs/dbraw/zinc/43/31/78/1064433178.db2.gz LEXLILCKFSUJCV-GOSISDBHSA-N 1 0 467.618 2.878 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001296222864 1064447165 /nfs/dbraw/zinc/44/71/65/1064447165.db2.gz ZMRFFKVVGXKAPW-NRFANRHFSA-N 1 0 487.693 2.625 20 0 JFADRO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291843622 1064449171 /nfs/dbraw/zinc/44/91/71/1064449171.db2.gz CKOJVYUEPPTFLJ-RBBKRZOGSA-N 1 0 454.619 2.599 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001296225365 1064454052 /nfs/dbraw/zinc/45/40/52/1064454052.db2.gz MZTATVNTHFJANZ-GHTZIAJQSA-N 1 0 487.693 2.812 20 0 JFADRO CC[C@@H](c1nnc(N(C)CCS(C)(=O)=O)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291854048 1064461265 /nfs/dbraw/zinc/46/12/65/1064461265.db2.gz XMRBBNUGKDETIH-OAQYLSRUSA-N 1 0 477.675 2.536 20 0 JFADRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296229900 1064464082 /nfs/dbraw/zinc/46/40/82/1064464082.db2.gz DCECILKAANSXGX-HZPDHXFCSA-N 1 0 457.687 2.868 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291856944 1064464325 /nfs/dbraw/zinc/46/43/25/1064464325.db2.gz JZKJDMKWQNQKJD-CUDBPUKSSA-N 1 0 468.646 2.986 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)O)c1ccccc1 ZINC001291857589 1064465406 /nfs/dbraw/zinc/46/54/06/1064465406.db2.gz ODWMVAVFVCUSLT-AGILITTLSA-N 1 0 482.673 2.970 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291862181 1064471550 /nfs/dbraw/zinc/47/15/50/1064471550.db2.gz IPKRSGIMTJAVSU-XZOQPEGZSA-N 1 0 468.646 2.629 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(C(N)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291863291 1064475030 /nfs/dbraw/zinc/47/50/30/1064475030.db2.gz ODOJYYHILNSGCZ-JOCHJYFZSA-N 1 0 467.662 2.548 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001296233480 1064475754 /nfs/dbraw/zinc/47/57/54/1064475754.db2.gz WALWPJKJXMJJAV-NRFANRHFSA-N 1 0 468.646 2.964 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864487 1064477775 /nfs/dbraw/zinc/47/77/75/1064477775.db2.gz GLVHKXLXUVVRGP-ZJSXRUAMSA-N 1 0 481.689 2.938 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001296234360 1064478003 /nfs/dbraw/zinc/47/80/03/1064478003.db2.gz GCOLEWGWBADHSK-FQEVSTJZSA-N 1 0 468.650 2.846 20 0 JFADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001291874239 1064491000 /nfs/dbraw/zinc/49/10/00/1064491000.db2.gz MUOZWTNHHZEAQS-OAQYLSRUSA-N 1 0 462.664 2.678 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291874493 1064491701 /nfs/dbraw/zinc/49/17/01/1064491701.db2.gz OTYMZTWCKOZTEA-PXDATVDWSA-N 1 0 486.686 2.728 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291878140 1064499870 /nfs/dbraw/zinc/49/98/70/1064499870.db2.gz WNCUCRLXPZYTEH-SFTDATJTSA-N 1 0 456.660 2.831 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291878081 1064499935 /nfs/dbraw/zinc/49/99/35/1064499935.db2.gz VUSXFGJBQVKNAX-RTWAWAEBSA-N 1 0 454.619 2.633 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291886432 1064507283 /nfs/dbraw/zinc/50/72/83/1064507283.db2.gz DLVJIWQUURPSIV-CTNGQTDRSA-N 1 0 490.599 2.750 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291887909 1064509639 /nfs/dbraw/zinc/50/96/39/1064509639.db2.gz KSEFYSGCIAYKKC-GJZUVCINSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291887910 1064509762 /nfs/dbraw/zinc/50/97/62/1064509762.db2.gz KSEFYSGCIAYKKC-NVQXNPDNSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291887942 1064510235 /nfs/dbraw/zinc/51/02/35/1064510235.db2.gz LJEUOCFPGBSCOV-AKIFATBCSA-N 1 0 467.662 2.548 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296248889 1064510473 /nfs/dbraw/zinc/51/04/73/1064510473.db2.gz SWQUCMRYVHZEHF-KDURUIRLSA-N 1 0 460.667 2.719 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889223 1064514054 /nfs/dbraw/zinc/51/40/54/1064514054.db2.gz ZXNXGECHGXRWIU-DHLKQENFSA-N 1 0 481.689 2.762 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296253578 1064516169 /nfs/dbraw/zinc/51/61/69/1064516169.db2.gz AIFYSAQYTWYITD-VAMGGRTRSA-N 1 0 478.682 2.516 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001291891519 1064517750 /nfs/dbraw/zinc/51/77/50/1064517750.db2.gz BBQGSUWZZZMWPJ-NHCUHLMSSA-N 1 0 486.642 2.798 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291892800 1064520433 /nfs/dbraw/zinc/52/04/33/1064520433.db2.gz NCVQXDJBOPTWCJ-AKIFATBCSA-N 1 0 468.646 2.724 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291893248 1064521411 /nfs/dbraw/zinc/52/14/11/1064521411.db2.gz KODLEIFZEDKESU-OAQYLSRUSA-N 1 0 490.599 2.750 20 0 JFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001296256964 1064522125 /nfs/dbraw/zinc/52/21/25/1064522125.db2.gz HKRGWRRUUZOIIP-UHFFFAOYSA-N 1 0 458.559 2.520 20 0 JFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1 ZINC001296257321 1064522286 /nfs/dbraw/zinc/52/22/86/1064522286.db2.gz LFSMLYNFZRDIQJ-UHFFFAOYSA-N 1 0 457.596 2.780 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291893934 1064523055 /nfs/dbraw/zinc/52/30/55/1064523055.db2.gz VNUDYVNZTSGWKL-CQOQZXRMSA-N 1 0 481.689 2.761 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894879 1064524348 /nfs/dbraw/zinc/52/43/48/1064524348.db2.gz QWRRMYRILSLBKW-FCHUYYIVSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291897042 1064528481 /nfs/dbraw/zinc/52/84/81/1064528481.db2.gz AFDUEPJPWBULKH-YTFSRNRJSA-N 1 0 454.619 2.646 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291904334 1064534731 /nfs/dbraw/zinc/53/47/31/1064534731.db2.gz ORBIHTTWZUERLB-ZHHKINOHSA-N 1 0 455.603 2.665 20 0 JFADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291904333 1064534775 /nfs/dbraw/zinc/53/47/75/1064534775.db2.gz ORBIHTTWZUERLB-WSWWRLHASA-N 1 0 455.603 2.665 20 0 JFADRO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1)SC ZINC001291905675 1064536132 /nfs/dbraw/zinc/53/61/32/1064536132.db2.gz VGECMJUFSBYGOA-UHFFFAOYSA-N 1 0 478.707 2.985 20 0 JFADRO COCc1nc2sc(C(=O)NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c(C)c2c(OC)n1 ZINC001296269384 1064536552 /nfs/dbraw/zinc/53/65/52/1064536552.db2.gz VMCNEPDXUMVMER-KRWDZBQOSA-N 1 0 456.568 2.651 20 0 JFADRO CCC(CC)(Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[NH+](C(C)C)CC1)OC ZINC001291912162 1064538815 /nfs/dbraw/zinc/53/88/15/1064538815.db2.gz KICQGUMAZVNPSA-UHFFFAOYSA-N 1 0 492.690 2.931 20 0 JFADRO CCNC(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001296272167 1064541301 /nfs/dbraw/zinc/54/13/01/1064541301.db2.gz JWKBPJPUOOAYQT-OAQYLSRUSA-N 1 0 454.619 2.891 20 0 JFADRO CCC(CC)(Cn1c(-c2cnccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OC ZINC001291921207 1064542379 /nfs/dbraw/zinc/54/23/79/1064542379.db2.gz DAWCUUNKIMHWIO-UHFFFAOYSA-N 1 0 470.666 2.935 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(COCC)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC001296274884 1064544615 /nfs/dbraw/zinc/54/46/15/1064544615.db2.gz UIEBUNVSTLQNNI-NRFANRHFSA-N 1 0 454.619 2.925 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC001296274994 1064544630 /nfs/dbraw/zinc/54/46/30/1064544630.db2.gz VUYNKRQIPBXQIA-SFHVURJKSA-N 1 0 495.653 2.598 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC([NH+](CC)CC)CC2)cc1 ZINC001296275085 1064545013 /nfs/dbraw/zinc/54/50/13/1064545013.db2.gz XRFKIABBFRPFIJ-UHFFFAOYSA-N 1 0 464.618 2.787 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)SC ZINC001291930763 1064547853 /nfs/dbraw/zinc/54/78/53/1064547853.db2.gz CADJQAMAMHPLMD-PMACEKPBSA-N 1 0 478.707 2.837 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291930840 1064548395 /nfs/dbraw/zinc/54/83/95/1064548395.db2.gz DQINTZZZYSDXLE-MZYLBHOOSA-N 1 0 490.693 2.756 20 0 JFADRO CCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001296280707 1064551048 /nfs/dbraw/zinc/55/10/48/1064551048.db2.gz GZOOTWWBZHWGPY-NRFANRHFSA-N 1 0 454.619 2.891 20 0 JFADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291933476 1064552439 /nfs/dbraw/zinc/55/24/39/1064552439.db2.gz HMXWMCCYIQJBFA-XUZZJYLKSA-N 1 0 497.688 2.848 20 0 JFADRO CCCn1c2ccccc2n(CCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1=O ZINC001296281977 1064553086 /nfs/dbraw/zinc/55/30/86/1064553086.db2.gz XOQFKADRPQQMMK-QFIPXVFZSA-N 1 0 450.583 2.876 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296286268 1064557794 /nfs/dbraw/zinc/55/77/94/1064557794.db2.gz IZEISGGNNCJAJA-UPVQGACJSA-N 1 0 481.689 2.960 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001296287737 1064559947 /nfs/dbraw/zinc/55/99/47/1064559947.db2.gz WBVJRMFQYKCZOZ-RBBKRZOGSA-N 1 0 455.651 2.661 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296288015 1064560330 /nfs/dbraw/zinc/56/03/30/1064560330.db2.gz DXKRSMSMGMVHDR-FQEVSTJZSA-N 1 0 471.650 2.617 20 0 JFADRO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291946199 1064560490 /nfs/dbraw/zinc/56/04/90/1064560490.db2.gz SPXAHPHLWZALDI-CEMLEFRQSA-N 1 0 453.587 2.566 20 0 JFADRO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291946202 1064560869 /nfs/dbraw/zinc/56/08/69/1064560869.db2.gz SPXAHPHLWZALDI-NNWRFLSQSA-N 1 0 453.587 2.566 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001296289059 1064563132 /nfs/dbraw/zinc/56/31/32/1064563132.db2.gz NDRBDMLUTBAKPA-JOCHJYFZSA-N 1 0 481.670 2.876 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001296289299 1064564068 /nfs/dbraw/zinc/56/40/68/1064564068.db2.gz RGSSGRFGJYXLKZ-FQEVSTJZSA-N 1 0 489.068 2.516 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001291951862 1064564218 /nfs/dbraw/zinc/56/42/18/1064564218.db2.gz IQNIPYGXARYMTJ-VXKWHMMOSA-N 1 0 497.692 2.776 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291952521 1064565260 /nfs/dbraw/zinc/56/52/60/1064565260.db2.gz LGCZRMASAIHQAO-JKBKZWBZSA-N 1 0 484.711 2.508 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1)[NH+](C)C ZINC001291953174 1064566175 /nfs/dbraw/zinc/56/61/75/1064566175.db2.gz PBLARCZBEMGFHC-NRFANRHFSA-N 1 0 475.682 2.764 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291954391 1064567937 /nfs/dbraw/zinc/56/79/37/1064567937.db2.gz UDFCKOAMXDATFL-XMSQKQJNSA-N 1 0 488.608 2.630 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001291954547 1064568030 /nfs/dbraw/zinc/56/80/30/1064568030.db2.gz RQMXXMXHEZKJQM-QUCCMNQESA-N 1 0 458.607 2.650 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1)[NH+](C)C ZINC001291954574 1064568545 /nfs/dbraw/zinc/56/85/45/1064568545.db2.gz VMCZZQSHKIPNBS-OAQYLSRUSA-N 1 0 470.666 2.878 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(OC)C1)[NH+](C)C ZINC001291954882 1064568882 /nfs/dbraw/zinc/56/88/82/1064568882.db2.gz SEEXFQXJCLFVCR-HXUWFJFHSA-N 1 0 463.648 2.940 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001291961105 1064573377 /nfs/dbraw/zinc/57/33/77/1064573377.db2.gz BSGQMRYBDLJYQW-OFVILXPXSA-N 1 0 472.609 2.923 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCOCC1 ZINC001291961398 1064573919 /nfs/dbraw/zinc/57/39/19/1064573919.db2.gz IITWGNSYKJVPNO-DENIHFKCSA-N 1 0 484.645 2.758 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC)[NH+]1CCOCC1 ZINC001291961564 1064574259 /nfs/dbraw/zinc/57/42/59/1064574259.db2.gz LHVPPDJUTLXLAA-FGZHOGPDSA-N 1 0 454.619 2.797 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1)[NH+](C)C ZINC001291961691 1064574650 /nfs/dbraw/zinc/57/46/50/1064574650.db2.gz AZURBCAXKOYNBZ-NRFANRHFSA-N 1 0 471.679 2.824 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](COC)C1)[NH+]1CCOCC1 ZINC001291961887 1064574809 /nfs/dbraw/zinc/57/48/09/1064574809.db2.gz CJEGWDAJBORHFK-SIKLNZKXSA-N 1 0 457.623 2.735 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](COC)C1)[NH+]1CCOCC1 ZINC001291961795 1064574830 /nfs/dbraw/zinc/57/48/30/1064574830.db2.gz CJEGWDAJBORHFK-DENIHFKCSA-N 1 0 457.623 2.735 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+](C)C ZINC001291961972 1064575180 /nfs/dbraw/zinc/57/51/80/1064575180.db2.gz DVRVCXYHLJYIAY-WIYYLYMNSA-N 1 0 458.655 2.738 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCCN(C(=O)C(C)C)CC1)[NH+]1CCOCC1 ZINC001291962206 1064575491 /nfs/dbraw/zinc/57/54/91/1064575491.db2.gz ACQHHBVDHXNYSS-JOCHJYFZSA-N 1 0 460.667 2.987 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001291962362 1064575969 /nfs/dbraw/zinc/57/59/69/1064575969.db2.gz PFDOKUPAOOPQHB-QHCPKHFHSA-N 1 0 483.661 2.782 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1)[NH+](C)C ZINC001291963534 1064576826 /nfs/dbraw/zinc/57/68/26/1064576826.db2.gz KRPVGRGJBVUYFT-JOCHJYFZSA-N 1 0 469.638 2.664 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291963905 1064577699 /nfs/dbraw/zinc/57/76/99/1064577699.db2.gz KYLHSTGYGOEBLG-NQIIRXRSSA-N 1 0 459.639 2.819 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291965075 1064578584 /nfs/dbraw/zinc/57/85/84/1064578584.db2.gz OXBNLXWEOZNWHZ-XUZZJYLKSA-N 1 0 483.661 2.782 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001291966193 1064579372 /nfs/dbraw/zinc/57/93/72/1064579372.db2.gz JLWMDWNLQIYFON-XZOQPEGZSA-N 1 0 490.693 2.614 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)[NH+](C)C ZINC001291966224 1064579632 /nfs/dbraw/zinc/57/96/32/1064579632.db2.gz VHWQJUITEFUXID-VQTJNVASSA-N 1 0 454.579 2.976 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291966284 1064579764 /nfs/dbraw/zinc/57/97/64/1064579764.db2.gz JZWGWBHZIZVIBE-WOJBJXKFSA-N 1 0 476.666 2.760 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001291966549 1064580374 /nfs/dbraw/zinc/58/03/74/1064580374.db2.gz KLMJPCQIZWMVIP-YADARESESA-N 1 0 459.639 2.727 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001291966878 1064581123 /nfs/dbraw/zinc/58/11/23/1064581123.db2.gz FIJZGGPCLQQXQZ-DXIQSLLYSA-N 1 0 470.618 2.859 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001291966824 1064581260 /nfs/dbraw/zinc/58/12/60/1064581260.db2.gz DGHPKTZYUYBZAW-XZOQPEGZSA-N 1 0 470.662 2.765 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291967355 1064582274 /nfs/dbraw/zinc/58/22/74/1064582274.db2.gz IMNNVJHJFONVDT-PZJWPPBQSA-N 1 0 457.598 2.588 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001296303806 1064583961 /nfs/dbraw/zinc/58/39/61/1064583961.db2.gz YMMICICOSZXVLF-IBGZPJMESA-N 1 0 490.052 2.951 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291972815 1064587134 /nfs/dbraw/zinc/58/71/34/1064587134.db2.gz DAPSWYQQVISNLU-RTWAWAEBSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291972719 1064587148 /nfs/dbraw/zinc/58/71/48/1064587148.db2.gz CCZCSFATOXTZPJ-GOTSBHOMSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291973644 1064588234 /nfs/dbraw/zinc/58/82/34/1064588234.db2.gz IMTTXWFHSCCFCY-LEWJYISDSA-N 1 0 468.606 2.900 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001296307751 1064588606 /nfs/dbraw/zinc/58/86/06/1064588606.db2.gz NLHJJMLPMMRWGE-JOCHJYFZSA-N 1 0 499.660 2.934 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001291974297 1064588884 /nfs/dbraw/zinc/58/88/84/1064588884.db2.gz LSQYDRNQSAPVSM-JOCHJYFZSA-N 1 0 472.682 2.811 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291974381 1064589228 /nfs/dbraw/zinc/58/92/28/1064589228.db2.gz NFGVCFGYJFNSRA-QHCPKHFHSA-N 1 0 465.650 2.690 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+]1CCOCC1 ZINC001291974389 1064589367 /nfs/dbraw/zinc/58/93/67/1064589367.db2.gz NJBOGGPZQJGZFJ-QFIPXVFZSA-N 1 0 460.667 2.672 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001291975571 1064590595 /nfs/dbraw/zinc/59/05/95/1064590595.db2.gz VTYIRVDNYXPXME-IBGZPJMESA-N 1 0 487.615 2.841 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977901 1064593718 /nfs/dbraw/zinc/59/37/18/1064593718.db2.gz KNIXVAKNGWLUKY-PUHATCMVSA-N 1 0 476.710 2.870 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)[NH+](C)C ZINC001291979422 1064594483 /nfs/dbraw/zinc/59/44/83/1064594483.db2.gz RXOAZLUMPSNNII-LGVFNWMJSA-N 1 0 459.639 2.982 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001291980262 1064595190 /nfs/dbraw/zinc/59/51/90/1064595190.db2.gz ZZWMOMHBUDXRBC-KDNSLJGTSA-N 1 0 451.656 2.892 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001296317311 1064599105 /nfs/dbraw/zinc/59/91/05/1064599105.db2.gz BFXSTMCQEPNXSN-UHFFFAOYSA-N 1 0 469.634 2.626 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccn(C)n1 ZINC001291987495 1064601014 /nfs/dbraw/zinc/60/10/14/1064601014.db2.gz BAYVLRVRTRPORL-JOCHJYFZSA-N 1 0 464.618 2.689 20 0 JFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)cc2)C1 ZINC001296323495 1064605929 /nfs/dbraw/zinc/60/59/29/1064605929.db2.gz QPIYKXJWBDTZNO-VAMGGRTRSA-N 1 0 451.633 2.584 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)CC)n2CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001296324798 1064612187 /nfs/dbraw/zinc/61/21/87/1064612187.db2.gz CCUWBDSFLPJRLA-NHCUHLMSSA-N 1 0 496.722 2.592 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H](C)CC)n2CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001296324800 1064612216 /nfs/dbraw/zinc/61/22/16/1064612216.db2.gz CCUWBDSFLPJRLA-RTWAWAEBSA-N 1 0 496.722 2.592 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001296324786 1064612257 /nfs/dbraw/zinc/61/22/57/1064612257.db2.gz CBRMINKQEBCIOA-GBESFXJTSA-N 1 0 494.637 2.560 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H](C)CC)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC001296326144 1064620006 /nfs/dbraw/zinc/62/00/06/1064620006.db2.gz KOQDVUXCVHWUPO-CTNGQTDRSA-N 1 0 496.722 2.733 20 0 JFADRO CC[NH+]1CCC(CNC(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)CC1 ZINC001292006214 1064625410 /nfs/dbraw/zinc/62/54/10/1064625410.db2.gz LLKWDGWAYULIHR-GOSISDBHSA-N 1 0 459.450 2.891 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001296329651 1064627830 /nfs/dbraw/zinc/62/78/30/1064627830.db2.gz KNJOWJAWYXALAI-MRXNPFEDSA-N 1 0 485.029 2.740 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001296330100 1064629174 /nfs/dbraw/zinc/62/91/74/1064629174.db2.gz PAUWEBFAKSBXCV-FQEVSTJZSA-N 1 0 481.066 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292013797 1064641492 /nfs/dbraw/zinc/64/14/92/1064641492.db2.gz MNYDUHJFMWOCID-CVDCTZTESA-N 1 0 495.672 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001292016611 1064650210 /nfs/dbraw/zinc/65/02/10/1064650210.db2.gz HDBMIQKTLBRHMY-SELNLUPBSA-N 1 0 468.646 2.904 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001292018726 1064654699 /nfs/dbraw/zinc/65/46/99/1064654699.db2.gz YIXOGHBBFFMDDC-NKKJXINNSA-N 1 0 497.688 2.656 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292023037 1064667070 /nfs/dbraw/zinc/66/70/70/1064667070.db2.gz NUJNXWFNCNKKJO-ZMSDIMECSA-N 1 0 460.545 2.694 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292023035 1064667121 /nfs/dbraw/zinc/66/71/21/1064667121.db2.gz NUJNXWFNCNKKJO-UXLLHSPISA-N 1 0 460.545 2.694 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292025407 1064676122 /nfs/dbraw/zinc/67/61/22/1064676122.db2.gz IIKHBOJFVYZRBQ-OAQYLSRUSA-N 1 0 490.693 2.563 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCn1cc(Br)cn1 ZINC001292029777 1064683936 /nfs/dbraw/zinc/68/39/36/1064683936.db2.gz GCFMJMQJNZKUFM-CRAIPNDOSA-N 1 0 493.454 2.529 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1C[C@](C)(O)c1ccccc1 ZINC001292030075 1064685953 /nfs/dbraw/zinc/68/59/53/1064685953.db2.gz LHTISLVYFQADCA-HMHJJOSWSA-N 1 0 454.619 2.777 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@@](C)(O)c1ccccc1 ZINC001292030074 1064686012 /nfs/dbraw/zinc/68/60/12/1064686012.db2.gz LHTISLVYFQADCA-DHTSOJEISA-N 1 0 454.619 2.777 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001292036118 1064699182 /nfs/dbraw/zinc/69/91/82/1064699182.db2.gz PRGURSKAIAPZEL-GOSISDBHSA-N 1 0 474.572 2.822 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CC[N@H+]1CC=CCC1 ZINC001292037527 1064703441 /nfs/dbraw/zinc/70/34/41/1064703441.db2.gz YEFKPVPQPKRZFU-NRFANRHFSA-N 1 0 493.656 2.948 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001292052835 1064717475 /nfs/dbraw/zinc/71/74/75/1064717475.db2.gz HANOQFUQEZOFLN-QFIPXVFZSA-N 1 0 487.693 2.908 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1CCc2nccn2C1 ZINC001292060677 1064729951 /nfs/dbraw/zinc/72/99/51/1064729951.db2.gz GKWYWGBWBXYTTF-LJQANCHMSA-N 1 0 470.666 2.966 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001292061299 1064730476 /nfs/dbraw/zinc/73/04/76/1064730476.db2.gz JOSZLUXRKFWLNH-AEFFLSMTSA-N 1 0 465.643 2.592 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001292062347 1064731691 /nfs/dbraw/zinc/73/16/91/1064731691.db2.gz QEZGWBWMLHMXKK-VXKWHMMOSA-N 1 0 487.693 2.908 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1CCC=CO1 ZINC001292062846 1064734318 /nfs/dbraw/zinc/73/43/18/1064734318.db2.gz GRJQHQYCCXHIBE-QHCPKHFHSA-N 1 0 487.693 2.884 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001292062994 1064735221 /nfs/dbraw/zinc/73/52/21/1064735221.db2.gz KGMBYSSXSOKXCK-IEBWSBKVSA-N 1 0 489.665 2.784 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001292063278 1064736381 /nfs/dbraw/zinc/73/63/81/1064736381.db2.gz QFPFMVGCOQLZGO-IBGZPJMESA-N 1 0 487.693 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001292070554 1064749620 /nfs/dbraw/zinc/74/96/20/1064749620.db2.gz OCCVOSLDBYJBLF-PMACEKPBSA-N 1 0 487.693 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292073111 1064751561 /nfs/dbraw/zinc/75/15/61/1064751561.db2.gz CUMHQPNHPXHWPM-NRFANRHFSA-N 1 0 468.650 2.560 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001292076053 1064756888 /nfs/dbraw/zinc/75/68/88/1064756888.db2.gz KTECSGSMQDMUQI-UHFFFAOYSA-N 1 0 495.672 2.777 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080157 1064763650 /nfs/dbraw/zinc/76/36/50/1064763650.db2.gz NTKRURZZJZWCAH-RTWAWAEBSA-N 1 0 457.615 2.501 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCOc1ncccc1F ZINC001292088493 1064772496 /nfs/dbraw/zinc/77/24/96/1064772496.db2.gz FGJNAFRQPGFMAY-LJQANCHMSA-N 1 0 473.597 2.874 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCOc1ncccc1F ZINC001292088492 1064772527 /nfs/dbraw/zinc/77/25/27/1064772527.db2.gz FGJNAFRQPGFMAY-IBGZPJMESA-N 1 0 473.597 2.874 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292089476 1064773456 /nfs/dbraw/zinc/77/34/56/1064773456.db2.gz KPQFDCAIOGSXEU-LEWJYISDSA-N 1 0 471.654 2.587 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292090468 1064775054 /nfs/dbraw/zinc/77/50/54/1064775054.db2.gz OVUMVDTZJLJEDP-RZUBCFFCSA-N 1 0 485.681 2.998 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095138 1064786292 /nfs/dbraw/zinc/78/62/92/1064786292.db2.gz TWTBMGDPRJNGDQ-RTWAWAEBSA-N 1 0 490.693 2.829 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](COC)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001292095189 1064786822 /nfs/dbraw/zinc/78/68/22/1064786822.db2.gz URXWNJHJJXBGMQ-HXUWFJFHSA-N 1 0 476.666 2.704 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001292105227 1064798118 /nfs/dbraw/zinc/79/81/18/1064798118.db2.gz LHCCBMOOMSSDED-OFVILXPXSA-N 1 0 476.666 2.845 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001292105816 1064800581 /nfs/dbraw/zinc/80/05/81/1064800581.db2.gz PJNZXKDSILFMMN-AREMUKBSSA-N 1 0 499.635 2.526 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc2c(c1)OCO2 ZINC001292105872 1064801136 /nfs/dbraw/zinc/80/11/36/1064801136.db2.gz QSCWQCHRWJIKLR-UHFFFAOYSA-N 1 0 456.591 2.894 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292109801 1064808961 /nfs/dbraw/zinc/80/89/61/1064808961.db2.gz AWCOVQPVGMFUMX-QFIPXVFZSA-N 1 0 499.635 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292110493 1064813574 /nfs/dbraw/zinc/81/35/74/1064813574.db2.gz JICKWEGLMDJWMJ-FQEVSTJZSA-N 1 0 481.645 2.501 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292110540 1064814923 /nfs/dbraw/zinc/81/49/23/1064814923.db2.gz KHPNRBWLFZWMOV-JOCHJYFZSA-N 1 0 499.635 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001292110837 1064816782 /nfs/dbraw/zinc/81/67/82/1064816782.db2.gz NOXQBAUZKAXBHP-HXUWFJFHSA-N 1 0 475.682 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001292115117 1064831226 /nfs/dbraw/zinc/83/12/26/1064831226.db2.gz KKIMVOLWGNMKND-SFHVURJKSA-N 1 0 479.670 2.982 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cccc(C2OCCO2)c1 ZINC001292116003 1064835510 /nfs/dbraw/zinc/83/55/10/1064835510.db2.gz OVAIPOTVZNUEHC-UHFFFAOYSA-N 1 0 470.618 2.821 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001292126550 1064876283 /nfs/dbraw/zinc/87/62/83/1064876283.db2.gz LNXJGFIMQJYPBL-UHFFFAOYSA-N 1 0 496.722 2.580 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292126681 1064876916 /nfs/dbraw/zinc/87/69/16/1064876916.db2.gz NJZHSAOVELMGHX-JTHBVZDNSA-N 1 0 489.709 2.618 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1ccc(C)cc1 ZINC001292127085 1064879663 /nfs/dbraw/zinc/87/96/63/1064879663.db2.gz UZALAAKMAFMDPN-NRFANRHFSA-N 1 0 454.619 2.712 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1cccc(N(C)C)c1 ZINC001292127105 1064880311 /nfs/dbraw/zinc/88/03/11/1064880311.db2.gz VULLDMOLYIUCLO-UHFFFAOYSA-N 1 0 497.688 2.859 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001292132359 1064885253 /nfs/dbraw/zinc/88/52/53/1064885253.db2.gz FROFMLRGCTUBBJ-WIYYLYMNSA-N 1 0 496.660 2.540 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCn3nc(C)nc3C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001292134134 1064891934 /nfs/dbraw/zinc/89/19/34/1064891934.db2.gz OSPSJSAKDSRMDL-UHFFFAOYSA-N 1 0 471.654 2.771 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3noc(C)n3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001292143843 1064913392 /nfs/dbraw/zinc/91/33/92/1064913392.db2.gz IMVFJZGCZDGTIW-YLJYHZDGSA-N 1 0 488.637 2.588 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292145272 1064918335 /nfs/dbraw/zinc/91/83/35/1064918335.db2.gz SZDFLSSHMZBEIN-BVSLBCMMSA-N 1 0 476.666 2.701 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC001292150384 1064927661 /nfs/dbraw/zinc/92/76/61/1064927661.db2.gz KAXBTPCZUDNXFF-HXUWFJFHSA-N 1 0 455.559 2.819 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001292150968 1064928744 /nfs/dbraw/zinc/92/87/44/1064928744.db2.gz IAQMKVFZGTVYHX-CTNGQTDRSA-N 1 0 489.665 2.643 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001292154433 1064934671 /nfs/dbraw/zinc/93/46/71/1064934671.db2.gz ZUVGNJRZLLGNBN-LEOXJPRUSA-N 1 0 486.636 2.996 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292154622 1064935680 /nfs/dbraw/zinc/93/56/80/1064935680.db2.gz IHKPVZQKTGITRI-WJJPVSRMSA-N 1 0 476.666 2.557 20 0 JFADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC001292158737 1064939620 /nfs/dbraw/zinc/93/96/20/1064939620.db2.gz FJKFHEPFWBDPJZ-VQTJNVASSA-N 1 0 489.665 2.882 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(c2nc(C)no2)CC1)[NH+]1CCCC1 ZINC001292161155 1064944778 /nfs/dbraw/zinc/94/47/78/1064944778.db2.gz FSWQZPNMFDKMNM-GOSISDBHSA-N 1 0 458.611 2.540 20 0 JFADRO CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292163475 1064949451 /nfs/dbraw/zinc/94/94/51/1064949451.db2.gz NYKFAOZCBJDUIS-UGKGYDQZSA-N 1 0 474.675 2.709 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+]1CCCC1 ZINC001292172761 1064960293 /nfs/dbraw/zinc/96/02/93/1064960293.db2.gz BOBVRPRXZQYEIM-QFBILLFUSA-N 1 0 492.466 2.978 20 0 JFADRO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001292173343 1064961606 /nfs/dbraw/zinc/96/16/06/1064961606.db2.gz NBNHUIHZPTYJQO-MJGOQNOKSA-N 1 0 452.669 2.945 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292184925 1064976098 /nfs/dbraw/zinc/97/60/98/1064976098.db2.gz HOYKBNXYAQHJOQ-QGZVFWFLSA-N 1 0 468.023 2.716 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001292187093 1064979131 /nfs/dbraw/zinc/97/91/31/1064979131.db2.gz ZACYAMAVDJYZTE-QGZVFWFLSA-N 1 0 461.408 2.827 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292187777 1064980572 /nfs/dbraw/zinc/98/05/72/1064980572.db2.gz YJYVMXCDDGPKAM-GOSISDBHSA-N 1 0 497.065 2.563 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292187843 1064980585 /nfs/dbraw/zinc/98/05/85/1064980585.db2.gz ZPGBMOKHTIQSIK-RDJZCZTQSA-N 1 0 455.028 2.737 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001292191522 1064983399 /nfs/dbraw/zinc/98/33/99/1064983399.db2.gz HJGDWFAIGDINHI-MJGOQNOKSA-N 1 0 456.591 2.504 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292191555 1064983444 /nfs/dbraw/zinc/98/34/44/1064983444.db2.gz IDUTYRHSZPLLFW-LJQANCHMSA-N 1 0 491.658 2.850 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292192829 1064985249 /nfs/dbraw/zinc/98/52/49/1064985249.db2.gz NOJHOSQZXUBNHD-VQTJNVASSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292207471 1064995800 /nfs/dbraw/zinc/99/58/00/1064995800.db2.gz LHKYJNHISIPDHG-WMZOPIPTSA-N 1 0 454.545 2.626 20 0 JFADRO CC[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001292213475 1065003404 /nfs/dbraw/zinc/00/34/04/1065003404.db2.gz ZIEACIFOBNWENQ-SFHVURJKSA-N 1 0 453.591 2.584 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218837 1065005747 /nfs/dbraw/zinc/00/57/47/1065005747.db2.gz JNFWYDZNTJWHAN-NJYVYQBISA-N 1 0 492.665 2.982 20 0 JFADRO CC[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+]1CCCC1 ZINC001292222613 1065009323 /nfs/dbraw/zinc/00/93/23/1065009323.db2.gz FBBFSLNCTUXGQP-PZJWPPBQSA-N 1 0 476.647 2.562 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)OC ZINC001292225251 1065012511 /nfs/dbraw/zinc/01/25/11/1065012511.db2.gz QICHHXABLIKTSK-HAGHYFMRSA-N 1 0 480.654 2.930 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001292226982 1065014845 /nfs/dbraw/zinc/01/48/45/1065014845.db2.gz VAJQJHSNYDJFCI-FYYLOGMGSA-N 1 0 468.646 2.966 20 0 JFADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(NC(=O)COC)CC1)[NH+]1CCCC1 ZINC001292229635 1065016876 /nfs/dbraw/zinc/01/68/76/1065016876.db2.gz GUFAORPMMFBMHY-IBGZPJMESA-N 1 0 490.599 2.753 20 0 JFADRO CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292230499 1065017656 /nfs/dbraw/zinc/01/76/56/1065017656.db2.gz NNAFAKBGLWEVIL-GOSISDBHSA-N 1 0 460.573 2.984 20 0 JFADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCCC1 ZINC001292242911 1065025204 /nfs/dbraw/zinc/02/52/04/1065025204.db2.gz OBCREUYBPKRBNR-JOCHJYFZSA-N 1 0 459.683 2.532 20 0 JFADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(O)c1)[NH+]1CCCC1 ZINC001292247979 1065030838 /nfs/dbraw/zinc/03/08/38/1065030838.db2.gz NBIBLNJOETVUDH-IBGZPJMESA-N 1 0 456.591 2.626 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001292253744 1065035957 /nfs/dbraw/zinc/03/59/57/1065035957.db2.gz BQQFAFCLCSRVOS-PZJWPPBQSA-N 1 0 461.582 2.970 20 0 JFADRO CC[C@H](Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292254284 1065036925 /nfs/dbraw/zinc/03/69/25/1065036925.db2.gz AUKKBIRBLJDRTF-ZJSXRUAMSA-N 1 0 459.639 2.871 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292257125 1065039099 /nfs/dbraw/zinc/03/90/99/1065039099.db2.gz VUHBDVGQDZJQMA-SLYNCCJLSA-N 1 0 492.020 2.745 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292261801 1065040945 /nfs/dbraw/zinc/04/09/45/1065040945.db2.gz KKXONSJBNQARQA-VNTMZGSJSA-N 1 0 467.680 2.694 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2ccccc2C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292285640 1065059927 /nfs/dbraw/zinc/05/99/27/1065059927.db2.gz JJAMZXYAZFJKFC-VWLOTQADSA-N 1 0 498.716 2.960 20 0 JFADRO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292289772 1065061577 /nfs/dbraw/zinc/06/15/77/1065061577.db2.gz OLBRBRKYTWNIKT-WIOPSUGQSA-N 1 0 496.700 2.993 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC001292325715 1065086433 /nfs/dbraw/zinc/08/64/33/1065086433.db2.gz JKFXTPOKICGUFT-ZWKOTPCHSA-N 1 0 458.525 2.765 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292355691 1065099862 /nfs/dbraw/zinc/09/98/62/1065099862.db2.gz KTUXFWKAYSJCKB-BKMJKUGQSA-N 1 0 484.645 2.902 20 0 JFADRO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC001292378726 1065122033 /nfs/dbraw/zinc/12/20/33/1065122033.db2.gz RWHLYIGHSLOPGC-IBGZPJMESA-N 1 0 459.612 2.652 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)CCO1 ZINC001292380558 1065125203 /nfs/dbraw/zinc/12/52/03/1065125203.db2.gz WZSSAMFHSGFOPL-YADARESESA-N 1 0 480.654 2.934 20 0 JFADRO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC001292408674 1065142686 /nfs/dbraw/zinc/14/26/86/1065142686.db2.gz VBPPAZAARWEQDL-OYRHEFFESA-N 1 0 459.683 2.991 20 0 JFADRO CCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC001292432161 1065157959 /nfs/dbraw/zinc/15/79/59/1065157959.db2.gz MRTJHTMLWVDMFJ-QGZVFWFLSA-N 1 0 472.556 2.901 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC(N)=O)[NH+](C)C)cc1 ZINC001292456968 1065179040 /nfs/dbraw/zinc/17/90/40/1065179040.db2.gz ICNFSSWVPKEWMD-OXQOHEQNSA-N 1 0 481.601 2.571 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](COC(C)C)C2)[NH+](C)C)cc1 ZINC001292457267 1065179111 /nfs/dbraw/zinc/17/91/11/1065179111.db2.gz JMECXRLVEIAUOW-VJBWXMMDSA-N 1 0 484.645 2.725 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[NH+](C)C)cc1 ZINC001292457984 1065180253 /nfs/dbraw/zinc/18/02/53/1065180253.db2.gz MYBLRCIJFPTDPM-NFBKMPQASA-N 1 0 497.688 2.975 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292458630 1065182258 /nfs/dbraw/zinc/18/22/58/1065182258.db2.gz SNNQUFUMWLLYNU-AQNXPRMDSA-N 1 0 456.635 2.825 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)[NH+](C)C)cc1 ZINC001292459641 1065184850 /nfs/dbraw/zinc/18/48/50/1065184850.db2.gz DHAHIAOITIEZSO-FYYLOGMGSA-N 1 0 454.619 2.752 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001292460530 1065188409 /nfs/dbraw/zinc/18/84/09/1065188409.db2.gz IEZNKLOLHQJHCP-PKTZIBPZSA-N 1 0 468.646 2.952 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463566 1065192837 /nfs/dbraw/zinc/19/28/37/1065192837.db2.gz XJZGXIHGVLFSRH-XUZZJYLKSA-N 1 0 481.689 2.839 20 0 JFADRO O=C(CCN1C(=O)CCNC1=S)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001292464987 1065193443 /nfs/dbraw/zinc/19/34/43/1065193443.db2.gz RSQBWAFJGXJNDQ-UHFFFAOYSA-N 1 0 457.427 2.915 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001292469979 1065195952 /nfs/dbraw/zinc/19/59/52/1065195952.db2.gz CKZXMESHGBKHAT-RBUKOAKNSA-N 1 0 450.461 2.566 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC001292478848 1065202833 /nfs/dbraw/zinc/20/28/33/1065202833.db2.gz TZJCWLCFTCVGGK-UHFFFAOYSA-N 1 0 455.584 2.722 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001292484484 1065206056 /nfs/dbraw/zinc/20/60/56/1065206056.db2.gz JNUXHMZSULQMTG-QAPCUYQASA-N 1 0 452.525 2.962 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001292488552 1065209647 /nfs/dbraw/zinc/20/96/47/1065209647.db2.gz NLFGHQAJUDOFQL-WFXMLNOXSA-N 1 0 454.619 2.707 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292488933 1065210634 /nfs/dbraw/zinc/21/06/34/1065210634.db2.gz UXDNFIUJXFNMTB-DFBJGRDBSA-N 1 0 454.619 2.710 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(NC(=O)COC)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC001292497735 1065217162 /nfs/dbraw/zinc/21/71/62/1065217162.db2.gz JTGLQOPFRSXZIK-GOSISDBHSA-N 1 0 454.619 2.722 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCCNS(C)(=O)=O)cc1 ZINC001292505257 1065222901 /nfs/dbraw/zinc/22/29/01/1065222901.db2.gz BERBKTKLCPSRIC-OAQYLSRUSA-N 1 0 460.648 2.511 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001292507166 1065224704 /nfs/dbraw/zinc/22/47/04/1065224704.db2.gz IVUKNNNTRXGTFO-URXFXBBRSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001292507546 1065225458 /nfs/dbraw/zinc/22/54/58/1065225458.db2.gz JZFFOCBIZDMDFZ-IDISGSTGSA-N 1 0 482.673 2.953 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001292509667 1065227568 /nfs/dbraw/zinc/22/75/68/1065227568.db2.gz UWQFBNOOZCPZDZ-AZUAARDMSA-N 1 0 462.664 2.565 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCC(=O)N[C@@H](C)CC)cc1 ZINC001292513206 1065231957 /nfs/dbraw/zinc/23/19/57/1065231957.db2.gz AGZRBOAYPRXGAY-REWPJTCUSA-N 1 0 495.672 2.555 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2C[C@@H](CC)OC)cc1 ZINC001292513787 1065234417 /nfs/dbraw/zinc/23/44/17/1065234417.db2.gz NKEUQCILOCOIKB-YADHBBJMSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@](C)(O)c2ccco2)cc1 ZINC001292513812 1065235098 /nfs/dbraw/zinc/23/50/98/1065235098.db2.gz OBKCRUHZBADUFK-MHZLTWQESA-N 1 0 494.640 2.999 20 0 JFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001292514505 1065235603 /nfs/dbraw/zinc/23/56/03/1065235603.db2.gz GAWLFQCWQBCEAZ-KBPBESRZSA-N 1 0 455.378 2.551 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(c4cnn(C)c4)C(=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001292516915 1065237986 /nfs/dbraw/zinc/23/79/86/1065237986.db2.gz BEKFQUIFTQJFAW-UHFFFAOYSA-N 1 0 464.618 2.682 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCSCCCO)cc1 ZINC001292518894 1065243546 /nfs/dbraw/zinc/24/35/46/1065243546.db2.gz ZBCHTYQBXITVQN-UHFFFAOYSA-N 1 0 459.660 2.924 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[NH+](C(C)C)C(C)C)cc1 ZINC001292524185 1065249222 /nfs/dbraw/zinc/24/92/22/1065249222.db2.gz CBULHYNZWROEMC-UHFFFAOYSA-N 1 0 462.664 2.708 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524403 1065249527 /nfs/dbraw/zinc/24/95/27/1065249527.db2.gz FKAOTCGPLCLQJP-KNKQGSTJSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524400 1065249599 /nfs/dbraw/zinc/24/95/99/1065249599.db2.gz FKAOTCGPLCLQJP-DXIQSLLYSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001292524946 1065250360 /nfs/dbraw/zinc/25/03/60/1065250360.db2.gz AKODPTAMTVXOPU-GOTSBHOMSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC[N@@H+](CC)CCC(F)(F)F)cc1 ZINC001292525034 1065250749 /nfs/dbraw/zinc/25/07/49/1065250749.db2.gz OMZJLWANBKZACH-IBGZPJMESA-N 1 0 479.551 2.996 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001292526023 1065252090 /nfs/dbraw/zinc/25/20/90/1065252090.db2.gz VFFIUCJKABZLEC-XZOQPEGZSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001292532764 1065256482 /nfs/dbraw/zinc/25/64/82/1065256482.db2.gz LXBNBSRZGOEFAC-YADHBBJMSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)s1 ZINC001292547757 1065267958 /nfs/dbraw/zinc/26/79/58/1065267958.db2.gz DNJSXDYEKQTERJ-UHFFFAOYSA-N 1 0 470.647 2.534 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2cnccn2)n1CC(C)(C)C[NH+](C)C ZINC001292576280 1065286874 /nfs/dbraw/zinc/28/68/74/1065286874.db2.gz XQKDYPJTOOYZKF-UHFFFAOYSA-N 1 0 450.591 2.960 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001292578280 1065290486 /nfs/dbraw/zinc/29/04/86/1065290486.db2.gz GROKDKJPUHVCQU-UHFFFAOYSA-N 1 0 453.635 2.784 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292580774 1065297921 /nfs/dbraw/zinc/29/79/21/1065297921.db2.gz QIJIAHZFVQWYCD-WOJBJXKFSA-N 1 0 461.632 2.527 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589412 1065305335 /nfs/dbraw/zinc/30/53/35/1065305335.db2.gz LLQZGDFGJXOWNI-MOPGFXCFSA-N 1 0 477.613 2.881 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589418 1065305954 /nfs/dbraw/zinc/30/59/54/1065305954.db2.gz LLQZGDFGJXOWNI-RTBURBONSA-N 1 0 477.613 2.881 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292599331 1065319685 /nfs/dbraw/zinc/31/96/85/1065319685.db2.gz SZEGODOTWNMFLK-LJQANCHMSA-N 1 0 452.607 2.878 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](C(=O)OC)C2)n1CC[NH+]1CCSCC1 ZINC001292605607 1065330978 /nfs/dbraw/zinc/33/09/78/1065330978.db2.gz ZSHUAZSGNNJQEG-HXUWFJFHSA-N 1 0 473.643 2.858 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292608043 1065334435 /nfs/dbraw/zinc/33/44/35/1065334435.db2.gz AIPFRFPLOWEPPP-QFIPXVFZSA-N 1 0 497.688 2.504 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001292614171 1065342558 /nfs/dbraw/zinc/34/25/58/1065342558.db2.gz DASVBFJTTKXMTQ-FPOVZHCZSA-N 1 0 469.634 2.706 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292619887 1065356741 /nfs/dbraw/zinc/35/67/41/1065356741.db2.gz RANWDDAPWNIKEC-MZYLBHOOSA-N 1 0 498.672 2.569 20 0 JFADRO CCc1cnc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC[NH+](C)CC2)s1 ZINC001292641651 1065377519 /nfs/dbraw/zinc/37/75/19/1065377519.db2.gz MTTQPSYOQPKLHZ-INIZCTEOSA-N 1 0 498.744 2.663 20 0 JFADRO CCc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)cs1 ZINC001292696601 1065447134 /nfs/dbraw/zinc/44/71/34/1065447134.db2.gz TYFKCCJGMADGEH-GOSISDBHSA-N 1 0 459.664 2.944 20 0 JFADRO CCc1nc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)cs1 ZINC001292717353 1065472606 /nfs/dbraw/zinc/47/26/06/1065472606.db2.gz FYLUVAYIYIGVQX-LJQANCHMSA-N 1 0 472.663 2.558 20 0 JFADRO CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCC(OC)CC2)cs1 ZINC001292721074 1065482215 /nfs/dbraw/zinc/48/22/15/1065482215.db2.gz QVQSEVVXHHZGTQ-UHFFFAOYSA-N 1 0 477.679 2.961 20 0 JFADRO O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC001292725885 1065485613 /nfs/dbraw/zinc/48/56/13/1065485613.db2.gz IYXJXTTVQDEPJQ-UHFFFAOYSA-N 1 0 458.584 2.808 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001292729632 1065492638 /nfs/dbraw/zinc/49/26/38/1065492638.db2.gz WATLBHDCNFKLBY-SJLPKXTDSA-N 1 0 468.693 2.812 20 0 JFADRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(I)ccc2N2CCOCC2)CC1 ZINC001292742178 1065502245 /nfs/dbraw/zinc/50/22/45/1065502245.db2.gz QZJBNYOQFQZHDL-UHFFFAOYSA-N 1 0 457.356 2.684 20 0 JFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001292742111 1065502337 /nfs/dbraw/zinc/50/23/37/1065502337.db2.gz OCOWEASOVPOJFL-JOCHJYFZSA-N 1 0 451.571 2.548 20 0 JFADRO CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001292743951 1065503050 /nfs/dbraw/zinc/50/30/50/1065503050.db2.gz VIWIORAVPZDWKM-PKOBYXMFSA-N 1 0 457.434 2.739 20 0 JFADRO CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001292743949 1065503200 /nfs/dbraw/zinc/50/32/00/1065503200.db2.gz VIWIORAVPZDWKM-IEBWSBKVSA-N 1 0 457.434 2.739 20 0 JFADRO CCc1nc(CN2CCN(c3nnc(CC(C)C)n3CCC[NH+]3CCC(O)CC3)CC2)cs1 ZINC001292756341 1065512385 /nfs/dbraw/zinc/51/23/85/1065512385.db2.gz MLHHCRQQTVTYGA-UHFFFAOYSA-N 1 0 475.707 2.665 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC001292762849 1065519819 /nfs/dbraw/zinc/51/98/19/1065519819.db2.gz WYWYRQUZYONCGA-SFHVURJKSA-N 1 0 454.623 2.727 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001292780385 1065539556 /nfs/dbraw/zinc/53/95/56/1065539556.db2.gz CDLYNABGQZZCJM-UHFFFAOYSA-N 1 0 466.634 2.927 20 0 JFADRO CCc1nnc(Cn2c(Cc3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)s1 ZINC001292794697 1065554419 /nfs/dbraw/zinc/55/44/19/1065554419.db2.gz OYGNEFFRONUPTF-INIZCTEOSA-N 1 0 459.595 2.627 20 0 JFADRO CCc1nnc(Cn2c(CC(C)C)nnc2N2CCC(N3CC[NH+](C(C)C)CC3)CC2)s1 ZINC001292795377 1065555844 /nfs/dbraw/zinc/55/58/44/1065555844.db2.gz DGZHUQPSBPSBKX-UHFFFAOYSA-N 1 0 460.696 2.934 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292803032 1065560824 /nfs/dbraw/zinc/56/08/24/1065560824.db2.gz SJEWMSOUZSSYOX-FGTMMUONSA-N 1 0 478.663 2.573 20 0 JFADRO Cc1cc(C)nc(Nc2ccc(Cl)c(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)n1 ZINC001292811880 1065563214 /nfs/dbraw/zinc/56/32/14/1065563214.db2.gz OXPDKFOSWILRFI-UHFFFAOYSA-N 1 0 456.978 2.871 20 0 JFADRO CCc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292813118 1065563838 /nfs/dbraw/zinc/56/38/38/1065563838.db2.gz DIEOBUSXSIEFBK-VAMGGRTRSA-N 1 0 456.639 2.624 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1ccnc(OC(F)F)c1 ZINC001292815938 1065565766 /nfs/dbraw/zinc/56/57/66/1065565766.db2.gz KIFXYHBWCCQRBM-UHFFFAOYSA-N 1 0 460.533 2.683 20 0 JFADRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccccc1 ZINC001292830055 1065568833 /nfs/dbraw/zinc/56/88/33/1065568833.db2.gz GECKZUWLTRJOKF-GOSISDBHSA-N 1 0 459.612 2.691 20 0 JFADRO CCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001292851157 1065575633 /nfs/dbraw/zinc/57/56/33/1065575633.db2.gz CVXMHALUKHUQSW-OFNKIYASSA-N 1 0 454.619 2.991 20 0 JFADRO CCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001292851153 1065575680 /nfs/dbraw/zinc/57/56/80/1065575680.db2.gz CVXMHALUKHUQSW-NFBKMPQASA-N 1 0 454.619 2.991 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)cc2F)CC1 ZINC001292855298 1065576373 /nfs/dbraw/zinc/57/63/73/1065576373.db2.gz KSXPCNLGNJGZDZ-XMMPIXPASA-N 1 0 453.518 2.663 20 0 JFADRO CCc1nnc(N(CC)Cc2ccc(C(=O)N(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292874202 1065581782 /nfs/dbraw/zinc/58/17/82/1065581782.db2.gz HHRNKQPHSWLOOW-UHFFFAOYSA-N 1 0 455.651 2.595 20 0 JFADRO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292876206 1065582109 /nfs/dbraw/zinc/58/21/09/1065582109.db2.gz OAVHUHTXPRGBAQ-SFHVURJKSA-N 1 0 453.591 2.873 20 0 JFADRO CCc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292888135 1065585352 /nfs/dbraw/zinc/58/53/52/1065585352.db2.gz FPUSKQSEHWQRLA-INIZCTEOSA-N 1 0 485.496 2.689 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)N(C)c1ccccc1 ZINC001292892766 1065591336 /nfs/dbraw/zinc/59/13/36/1065591336.db2.gz HZRKWWNRJMDIDF-HFMPRLQTSA-N 1 0 467.662 2.744 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001292893221 1065593006 /nfs/dbraw/zinc/59/30/06/1065593006.db2.gz MKZGMOZFCNPVTQ-YDHSSHFGSA-N 1 0 472.609 2.826 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(OC)CCC(C)CC1 ZINC001292893226 1065593582 /nfs/dbraw/zinc/59/35/82/1065593582.db2.gz MNVGJFVZPGNXEP-DJVCCWTQSA-N 1 0 460.667 2.815 20 0 JFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cc1OC ZINC001292919130 1065605134 /nfs/dbraw/zinc/60/51/34/1065605134.db2.gz CTPLBUWZXQFSBB-GOSISDBHSA-N 1 0 451.633 2.980 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292921802 1065607103 /nfs/dbraw/zinc/60/71/03/1065607103.db2.gz DDPRAOJZNIJAFP-FQEVSTJZSA-N 1 0 460.667 2.551 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001292921781 1065607148 /nfs/dbraw/zinc/60/71/48/1065607148.db2.gz COFBOSSOUHJOGP-FQEVSTJZSA-N 1 0 458.607 2.592 20 0 JFADRO CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292932627 1065622654 /nfs/dbraw/zinc/62/26/54/1065622654.db2.gz WXSJATYMLIRJMU-UFYCRDLUSA-N 1 0 491.681 2.523 20 0 JFADRO CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292943493 1065628326 /nfs/dbraw/zinc/62/83/26/1065628326.db2.gz OELZNXWKQBSLEG-CTNGQTDRSA-N 1 0 454.619 2.786 20 0 JFADRO CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292943495 1065628449 /nfs/dbraw/zinc/62/84/49/1065628449.db2.gz OELZNXWKQBSLEG-PZJWPPBQSA-N 1 0 454.619 2.786 20 0 JFADRO Cc1nn(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c2nc(C(C)C)cc(C(F)(F)F)c12 ZINC001292959055 1065637067 /nfs/dbraw/zinc/63/70/67/1065637067.db2.gz QJHIOKSNJDJCBZ-OAHLLOKOSA-N 1 0 454.541 2.882 20 0 JFADRO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)ccc2C)c1 ZINC001292959327 1065637827 /nfs/dbraw/zinc/63/78/27/1065637827.db2.gz UTOWFSJJUDMWBN-LJQANCHMSA-N 1 0 458.628 2.718 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 ZINC001292959484 1065637861 /nfs/dbraw/zinc/63/78/61/1065637861.db2.gz YKHGMIMQALUYJH-IBGZPJMESA-N 1 0 456.660 2.712 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCCN(C)S(=O)(=O)CC ZINC001292960738 1065640416 /nfs/dbraw/zinc/64/04/16/1065640416.db2.gz IEZQZZYRGOEMHS-UHFFFAOYSA-N 1 0 454.685 2.605 20 0 JFADRO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001292961556 1065642821 /nfs/dbraw/zinc/64/28/21/1065642821.db2.gz GVHDXNPFCNDWLN-FQEVSTJZSA-N 1 0 470.666 2.733 20 0 JFADRO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292962766 1065645180 /nfs/dbraw/zinc/64/51/80/1065645180.db2.gz IZLTVUMUSJAWKW-RBUKOAKNSA-N 1 0 460.589 2.908 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001292977972 1065658321 /nfs/dbraw/zinc/65/83/21/1065658321.db2.gz DLAYLXQFAXKCNO-GOSISDBHSA-N 1 0 481.567 2.938 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001292978613 1065659867 /nfs/dbraw/zinc/65/98/67/1065659867.db2.gz UAPDDTCWYRVKLV-UHFFFAOYSA-N 1 0 460.667 2.864 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292979538 1065661353 /nfs/dbraw/zinc/66/13/53/1065661353.db2.gz WYAZYSXJKWRBQC-GOSISDBHSA-N 1 0 464.561 2.715 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292980168 1065662998 /nfs/dbraw/zinc/66/29/98/1065662998.db2.gz LSBXZMUCWYKERP-NRFANRHFSA-N 1 0 469.565 2.978 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)C2(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001292984643 1065667900 /nfs/dbraw/zinc/66/79/00/1065667900.db2.gz GVGSVHWJGMROQO-UHFFFAOYSA-N 1 0 451.608 2.805 20 0 JFADRO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001292985868 1065670315 /nfs/dbraw/zinc/67/03/15/1065670315.db2.gz JCSGWDBJDOBXNF-SLSDLSHTSA-N 1 0 459.587 2.562 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001292993418 1065680923 /nfs/dbraw/zinc/68/09/23/1065680923.db2.gz OZOHNFHFWDNXQK-XMMPIXPASA-N 1 0 452.640 2.720 20 0 JFADRO CCc1nnc(N2CC[C@H](OCc3cccc(OC)c3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292995154 1065683705 /nfs/dbraw/zinc/68/37/05/1065683705.db2.gz QJGNYGKQSSWCHZ-QFIPXVFZSA-N 1 0 457.619 2.880 20 0 JFADRO CC[N@@H+]1CCCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC1 ZINC001293013621 1065692519 /nfs/dbraw/zinc/69/25/19/1065692519.db2.gz AGFIAXHEHNWPJB-QFIPXVFZSA-N 1 0 455.603 2.921 20 0 JFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001293030907 1065700934 /nfs/dbraw/zinc/70/09/34/1065700934.db2.gz YFWHDTPGUHPUPH-NRFANRHFSA-N 1 0 454.619 2.701 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001293030707 1065701000 /nfs/dbraw/zinc/70/10/00/1065701000.db2.gz WZGIGHMOYWHHAA-NFBKMPQASA-N 1 0 488.702 2.785 20 0 JFADRO CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293035552 1065704195 /nfs/dbraw/zinc/70/41/95/1065704195.db2.gz NSAGEKOXFWGMCN-PMACEKPBSA-N 1 0 491.681 2.619 20 0 JFADRO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001293035847 1065704880 /nfs/dbraw/zinc/70/48/80/1065704880.db2.gz PUNWUVIDTQYPEJ-LJQANCHMSA-N 1 0 450.628 2.789 20 0 JFADRO CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001293036986 1065706388 /nfs/dbraw/zinc/70/63/88/1065706388.db2.gz RRWAKPIVEFELIH-VQTJNVASSA-N 1 0 480.704 2.989 20 0 JFADRO CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001293039942 1065707741 /nfs/dbraw/zinc/70/77/41/1065707741.db2.gz CIVBAZJGMRPCOQ-FCHUYYIVSA-N 1 0 484.645 2.949 20 0 JFADRO CCc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001293042553 1065708916 /nfs/dbraw/zinc/70/89/16/1065708916.db2.gz XNLYASSHRSPTSI-OAQYLSRUSA-N 1 0 482.677 2.557 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001293075079 1065727044 /nfs/dbraw/zinc/72/70/44/1065727044.db2.gz AKGKTISIEGONOY-LJQANCHMSA-N 1 0 450.628 2.694 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001293081137 1065730269 /nfs/dbraw/zinc/73/02/69/1065730269.db2.gz FHZDNCLZUULHCY-SFHVURJKSA-N 1 0 492.043 2.621 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OC(F)(F)F ZINC001293082997 1065733094 /nfs/dbraw/zinc/73/30/94/1065733094.db2.gz CYORDHIJEPGLJV-QGZVFWFLSA-N 1 0 466.508 2.530 20 0 JFADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293084989 1065735275 /nfs/dbraw/zinc/73/52/75/1065735275.db2.gz AAAXUSAHHGYBIJ-OYRHEFFESA-N 1 0 460.667 2.959 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CCNc1ncc(Cl)cc1Cl ZINC001293086464 1065736120 /nfs/dbraw/zinc/73/61/20/1065736120.db2.gz NHLSLUPAIUBSJL-UHFFFAOYSA-N 1 0 483.448 2.645 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)c3nc(C)no3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001293094290 1065743370 /nfs/dbraw/zinc/74/33/70/1065743370.db2.gz DGSQASGZQOBUGO-HNNXBMFYSA-N 1 0 458.533 2.689 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001293094691 1065743773 /nfs/dbraw/zinc/74/37/73/1065743773.db2.gz NSFUMFYNQDPSNY-SFTDATJTSA-N 1 0 459.683 2.674 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001293094689 1065743848 /nfs/dbraw/zinc/74/38/48/1065743848.db2.gz NSFUMFYNQDPSNY-RTWAWAEBSA-N 1 0 459.683 2.674 20 0 JFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(I)c(Cl)cc1Cl ZINC001293094435 1065744186 /nfs/dbraw/zinc/74/41/86/1065744186.db2.gz SUESTBPFLURCSH-JTQLQIEISA-N 1 0 456.155 2.964 20 0 JFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001293099043 1065749048 /nfs/dbraw/zinc/74/90/48/1065749048.db2.gz OCCNGBWQIAKWOM-JOCHJYFZSA-N 1 0 457.022 2.813 20 0 JFADRO O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001293099044 1065749139 /nfs/dbraw/zinc/74/91/39/1065749139.db2.gz OCCNGBWQIAKWOM-QFIPXVFZSA-N 1 0 457.022 2.813 20 0 JFADRO Cc1ccc(C2(C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)CCOCC2)cc1C ZINC001293098610 1065749231 /nfs/dbraw/zinc/74/92/31/1065749231.db2.gz KHXQCQRAWOSSNO-UHFFFAOYSA-N 1 0 451.615 2.860 20 0 JFADRO CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001293104552 1065752404 /nfs/dbraw/zinc/75/24/04/1065752404.db2.gz ZAWGHCYWMUFGCP-LJQANCHMSA-N 1 0 476.629 2.790 20 0 JFADRO Cc1cc(N2C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)CC2=O)ccc1Br ZINC001293106451 1065753570 /nfs/dbraw/zinc/75/35/70/1065753570.db2.gz CJRYEOSGUBRTSW-SJLPKXTDSA-N 1 0 452.393 2.680 20 0 JFADRO CCc1nnc(N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293109980 1065755499 /nfs/dbraw/zinc/75/54/99/1065755499.db2.gz YTEQOEFJIIWRJN-OAQYLSRUSA-N 1 0 483.709 2.663 20 0 JFADRO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001293110144 1065755994 /nfs/dbraw/zinc/75/59/94/1065755994.db2.gz WZBBUPGHXACQFC-DEOSSOPVSA-N 1 0 457.018 2.869 20 0 JFADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001293113236 1065759132 /nfs/dbraw/zinc/75/91/32/1065759132.db2.gz MPODOYYPDSPZBA-UHFFFAOYSA-N 1 0 485.652 2.713 20 0 JFADRO Cn1ncc(Br)c1CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001293115147 1065760359 /nfs/dbraw/zinc/76/03/59/1065760359.db2.gz KPDIOFBSIPJOHW-UHFFFAOYSA-N 1 0 454.800 2.707 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001293119281 1065766685 /nfs/dbraw/zinc/76/66/85/1065766685.db2.gz IXPRWKOYNHSNTL-HSZRJFAPSA-N 1 0 467.662 2.633 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001293121566 1065773351 /nfs/dbraw/zinc/77/33/51/1065773351.db2.gz RVBBCUKJKCUUQU-FCHUYYIVSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001293121883 1065774535 /nfs/dbraw/zinc/77/45/35/1065774535.db2.gz XEAFDCYXIKLYEW-HSZRJFAPSA-N 1 0 467.662 2.543 20 0 JFADRO CCc1nnc(N2CCN(Cc3cccc(F)c3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293126671 1065777630 /nfs/dbraw/zinc/77/76/30/1065777630.db2.gz BXCZNSCVCDJLME-UHFFFAOYSA-N 1 0 457.642 2.575 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1CCC(F)(F)CC1 ZINC001293130281 1065780908 /nfs/dbraw/zinc/78/09/08/1065780908.db2.gz FFZKUXOYSQFLGW-FQEVSTJZSA-N 1 0 454.610 2.897 20 0 JFADRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCN(C)CC(F)(F)F ZINC001293130644 1065781476 /nfs/dbraw/zinc/78/14/76/1065781476.db2.gz JITHXTPRNAIGOC-KDURUIRLSA-N 1 0 459.605 2.720 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCO[C@H]1C(C)(C)C ZINC001293130523 1065781577 /nfs/dbraw/zinc/78/15/77/1065781577.db2.gz HVUFDGQTPUQYEI-CQOQZXRMSA-N 1 0 476.710 2.913 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001293130570 1065781824 /nfs/dbraw/zinc/78/18/24/1065781824.db2.gz NLYZPBCJNWYXCQ-UHFFFAOYSA-N 1 0 460.648 2.521 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001293131219 1065782536 /nfs/dbraw/zinc/78/25/36/1065782536.db2.gz MSKSTVQCUSEIFZ-UHFFFAOYSA-N 1 0 468.524 2.774 20 0 JFADRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001293131643 1065783959 /nfs/dbraw/zinc/78/39/59/1065783959.db2.gz RGAXIUXOYRCWBD-SZPZYZBQSA-N 1 0 481.689 2.780 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001293131642 1065784098 /nfs/dbraw/zinc/78/40/98/1065784098.db2.gz RGAXIUXOYRCWBD-FGZHOGPDSA-N 1 0 481.689 2.780 20 0 JFADRO CCc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001293161487 1065798559 /nfs/dbraw/zinc/79/85/59/1065798559.db2.gz QFLDLCQPNNAXQT-IBGZPJMESA-N 1 0 450.628 2.835 20 0 JFADRO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293178315 1065802821 /nfs/dbraw/zinc/80/28/21/1065802821.db2.gz SLPYZNJZVMGQFU-VAMGGRTRSA-N 1 0 492.665 2.711 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 ZINC001293182058 1065803854 /nfs/dbraw/zinc/80/38/54/1065803854.db2.gz CYNVSNOXNZCVOF-HKOYGPOVSA-N 1 0 455.562 2.921 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001293186447 1065810883 /nfs/dbraw/zinc/81/08/83/1065810883.db2.gz DQTJSKCLMFJNAG-ZWKOTPCHSA-N 1 0 470.597 2.787 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001293186445 1065810983 /nfs/dbraw/zinc/81/09/83/1065810983.db2.gz DQTJSKCLMFJNAG-QZTJIDSGSA-N 1 0 470.597 2.787 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(CC(C)(C)C)n3CCCC[NH+]3CCOCC3)CC2)n1 ZINC001293188946 1065815202 /nfs/dbraw/zinc/81/52/02/1065815202.db2.gz QJMMUHZQUULDKD-HXUWFJFHSA-N 1 0 488.681 2.808 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCCO4)n3C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC001293208498 1065839463 /nfs/dbraw/zinc/83/94/63/1065839463.db2.gz PASPMMSTBQQMKJ-QZTJIDSGSA-N 1 0 462.668 2.991 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCOCC3)CC2)n1 ZINC001293209421 1065844385 /nfs/dbraw/zinc/84/43/85/1065844385.db2.gz YJYYWJSTGLWMBM-UHFFFAOYSA-N 1 0 476.695 2.718 20 0 JFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)CCC[S@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210951 1065846476 /nfs/dbraw/zinc/84/64/76/1065846476.db2.gz KNJWXTFHJCAZSH-SOKVYYICSA-N 1 0 456.450 2.622 20 0 JFADRO Cc1c(Br)ccc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1N ZINC001293215723 1065852733 /nfs/dbraw/zinc/85/27/33/1065852733.db2.gz UPAVFJUIFWVUFW-KRWDZBQOSA-N 1 0 459.388 2.967 20 0 JFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3csc(Nc4ccccn4)n3)c2)C1 ZINC001293215824 1065853314 /nfs/dbraw/zinc/85/33/14/1065853314.db2.gz WUBWHSZHZWCSCR-GOSISDBHSA-N 1 0 450.568 2.909 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)cn2C)n1CCC1CC[NH+](CC)CC1 ZINC001293217723 1065859756 /nfs/dbraw/zinc/85/97/56/1065859756.db2.gz HVNCSRUEBRHFKM-SFHVURJKSA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+]1CCC(C)CC1 ZINC001293217610 1065859834 /nfs/dbraw/zinc/85/98/34/1065859834.db2.gz HHTWWSQIWZYPBJ-GOSISDBHSA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293219630 1065867099 /nfs/dbraw/zinc/86/70/99/1065867099.db2.gz WWCKNUSKPZBDQG-JOCHJYFZSA-N 1 0 481.689 2.983 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[NH+](CC)CC ZINC001293220222 1065870466 /nfs/dbraw/zinc/87/04/66/1065870466.db2.gz STTITOKYTOFHLD-HXUWFJFHSA-N 1 0 455.607 2.594 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001293221104 1065874128 /nfs/dbraw/zinc/87/41/28/1065874128.db2.gz WSPVODZZOQHUCP-QFBILLFUSA-N 1 0 462.545 2.993 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293227190 1065880376 /nfs/dbraw/zinc/88/03/76/1065880376.db2.gz GPHPMCUJSMSDHO-AZUAARDMSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2Br)n1CCC[NH+]1CCCC1 ZINC001293228142 1065881684 /nfs/dbraw/zinc/88/16/84/1065881684.db2.gz KYCZIXBFPOLRQT-GOSISDBHSA-N 1 0 461.408 2.908 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001293230338 1065887088 /nfs/dbraw/zinc/88/70/88/1065887088.db2.gz KHCBZMUFMSPVQI-FXAWDEMLSA-N 1 0 450.591 2.523 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293238585 1065894370 /nfs/dbraw/zinc/89/43/70/1065894370.db2.gz GPCXKKLYHBWQLQ-SVFBPWRDSA-N 1 0 453.635 2.735 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293239829 1065895658 /nfs/dbraw/zinc/89/56/58/1065895658.db2.gz UGAPRNWGZNWNBY-JAXLGGSGSA-N 1 0 468.646 2.780 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(C[NH+](CC)CC)cc1 ZINC001293239701 1065895700 /nfs/dbraw/zinc/89/57/00/1065895700.db2.gz UAZUUAUBYHWUBT-QHCPKHFHSA-N 1 0 461.614 2.869 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293240704 1065898863 /nfs/dbraw/zinc/89/88/63/1065898863.db2.gz FTHXARDGOQRFRJ-LEWJYISDSA-N 1 0 466.586 2.683 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+](CC)CC ZINC001293244175 1065907798 /nfs/dbraw/zinc/90/77/98/1065907798.db2.gz CFCZDXBZGXEDNG-QYZOEREBSA-N 1 0 477.654 2.795 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293248024 1065914089 /nfs/dbraw/zinc/91/40/89/1065914089.db2.gz VBPVMWHOHCCQIE-IBGZPJMESA-N 1 0 470.618 2.845 20 0 JFADRO CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001293253336 1065917713 /nfs/dbraw/zinc/91/77/13/1065917713.db2.gz LFMOPIAVWCMZEN-HNNXBMFYSA-N 1 0 452.477 2.667 20 0 JFADRO 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2.970 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293321118 1065948222 /nfs/dbraw/zinc/94/82/22/1065948222.db2.gz LRVVKHGESMWJIG-FNAHDJPLSA-N 1 0 496.722 2.890 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293329592 1065951385 /nfs/dbraw/zinc/95/13/85/1065951385.db2.gz IGCQRBKACODTKG-YHINDDMVSA-N 1 0 476.666 2.570 20 0 JFADRO CN(CCC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293350005 1065960203 /nfs/dbraw/zinc/96/02/03/1065960203.db2.gz LGHOFYOIVFVSCM-LJQANCHMSA-N 1 0 450.583 2.619 20 0 JFADRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352634 1065961004 /nfs/dbraw/zinc/96/10/04/1065961004.db2.gz YBFSTDDQJIHYSB-RBUKOAKNSA-N 1 0 452.640 2.909 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1C ZINC001293357927 1065963465 /nfs/dbraw/zinc/96/34/65/1065963465.db2.gz BPWKQUBRYHGYFT-HXUWFJFHSA-N 1 0 465.606 2.868 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001293362648 1065966314 /nfs/dbraw/zinc/96/63/14/1065966314.db2.gz FTEIIZIMYFXRTI-DOTOQJQBSA-N 1 0 478.439 2.967 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363044 1065966606 /nfs/dbraw/zinc/96/66/06/1065966606.db2.gz GNDXOVDKXBNWIV-MOPGFXCFSA-N 1 0 470.684 2.547 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC001293364366 1065969000 /nfs/dbraw/zinc/96/90/00/1065969000.db2.gz FMULGOBRWULZDY-RTWAWAEBSA-N 1 0 468.650 2.988 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293366563 1065971763 /nfs/dbraw/zinc/97/17/63/1065971763.db2.gz WADJQSHEYDCCJT-NRFANRHFSA-N 1 0 456.639 2.638 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369488 1065972966 /nfs/dbraw/zinc/97/29/66/1065972966.db2.gz GWLHZTYVINKLQO-VAMGGRTRSA-N 1 0 489.665 2.939 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1 ZINC001293369352 1065972991 /nfs/dbraw/zinc/97/29/91/1065972991.db2.gz DWNNVCMUHAAGQM-UNMCSNQZSA-N 1 0 490.674 2.952 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001293371833 1065975005 /nfs/dbraw/zinc/97/50/05/1065975005.db2.gz GSCLNCSTMVFJNY-NRFANRHFSA-N 1 0 491.706 2.808 20 0 JFADRO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001293372418 1065975716 /nfs/dbraw/zinc/97/57/16/1065975716.db2.gz QWVZURJBHUGGKF-UHFFFAOYSA-N 1 0 451.658 2.917 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372546 1065975758 /nfs/dbraw/zinc/97/57/58/1065975758.db2.gz OPQCZWAMJROECV-NJDAHSKKSA-N 1 0 492.665 2.776 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001293372700 1065976154 /nfs/dbraw/zinc/97/61/54/1065976154.db2.gz KUUYBERNJJZFKV-LJQANCHMSA-N 1 0 485.599 2.739 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001293373284 1065977179 /nfs/dbraw/zinc/97/71/79/1065977179.db2.gz MXDUUIDEDMVZHM-HXUWFJFHSA-N 1 0 464.609 2.791 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC001293373424 1065977462 /nfs/dbraw/zinc/97/74/62/1065977462.db2.gz PZLULYLXQBKZSH-UYAOXDASSA-N 1 0 452.669 2.528 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293373550 1065977824 /nfs/dbraw/zinc/97/78/24/1065977824.db2.gz PNPBTYDMIGFZOQ-FGZHOGPDSA-N 1 0 489.686 2.960 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293373575 1065978210 /nfs/dbraw/zinc/97/82/10/1065978210.db2.gz QDHVFAFUNVMAIC-RTWAWAEBSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293375097 1065981127 /nfs/dbraw/zinc/98/11/27/1065981127.db2.gz ZYMZNMVIFLEKHO-MZKRTTBSSA-N 1 0 467.680 2.840 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O ZINC001293376588 1065981788 /nfs/dbraw/zinc/98/17/88/1065981788.db2.gz CVHCCLPDTGFHEJ-USXIJHARSA-N 1 0 486.593 2.673 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293378783 1065982932 /nfs/dbraw/zinc/98/29/32/1065982932.db2.gz LUDRTQYDLIFUCY-CMOCDZPBSA-N 1 0 497.706 2.670 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001293379409 1065983789 /nfs/dbraw/zinc/98/37/89/1065983789.db2.gz OUYYNBKUZHUTOE-KNQAVFIVSA-N 1 0 491.658 2.754 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001293380070 1065984639 /nfs/dbraw/zinc/98/46/39/1065984639.db2.gz VRTRJCCBYSEUJJ-FBLLAGFSSA-N 1 0 476.666 2.688 20 0 JFADRO O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001293383611 1065985501 /nfs/dbraw/zinc/98/55/01/1065985501.db2.gz PZIPUACBIILPOI-UHFFFAOYSA-N 1 0 450.539 2.657 20 0 JFADRO CC[C@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001293388047 1065988964 /nfs/dbraw/zinc/98/89/64/1065988964.db2.gz XXVJAXXICWTYNL-WIOPSUGQSA-N 1 0 462.683 2.973 20 0 JFADRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(c4ccccc4)C[C@H](NC(=O)OC(C)(C)C)C3)CC2)C1 ZINC001293435767 1066006052 /nfs/dbraw/zinc/00/60/52/1066006052.db2.gz PXOSNPXSMUFPOB-XLGIIRLISA-N 1 0 456.631 2.850 20 0 JFADRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@]3(c4ccccc4)C[C@H](NC(=O)OC(C)(C)C)C3)CC2)C1 ZINC001293435766 1066006102 /nfs/dbraw/zinc/00/61/02/1066006102.db2.gz PXOSNPXSMUFPOB-MCEYFSPLSA-N 1 0 456.631 2.850 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001293461378 1066015170 /nfs/dbraw/zinc/01/51/70/1066015170.db2.gz FKIRSOLYSJEGJD-IBGZPJMESA-N 1 0 460.648 2.918 20 0 JFADRO CCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001293464022 1066016553 /nfs/dbraw/zinc/01/65/53/1066016553.db2.gz YASJWBRATSUJRH-UHFFFAOYSA-N 1 0 475.659 2.822 20 0 JFADRO CCC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@H+](C)CCCOC)CC1 ZINC001293478725 1066019272 /nfs/dbraw/zinc/01/92/72/1066019272.db2.gz WIZLFWZZFAIJEM-UHFFFAOYSA-N 1 0 467.618 2.787 20 0 JFADRO CC[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001293485618 1066022673 /nfs/dbraw/zinc/02/26/73/1066022673.db2.gz SHWAADXWJWKFII-PMACEKPBSA-N 1 0 492.665 2.934 20 0 JFADRO Cc1ccc(-n2cnnc2SCC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC001293486984 1066024053 /nfs/dbraw/zinc/02/40/53/1066024053.db2.gz YNGACIQWIQZBMY-UHFFFAOYSA-N 1 0 451.596 2.941 20 0 JFADRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cncc(I)c1 ZINC001293487000 1066024101 /nfs/dbraw/zinc/02/41/01/1066024101.db2.gz YXZODTRXHIQMEA-UHFFFAOYSA-N 1 0 451.308 2.573 20 0 JFADRO C[C@H]([NH2+]C1(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CCCC1)c1ccccc1 ZINC001293488205 1066024394 /nfs/dbraw/zinc/02/43/94/1066024394.db2.gz NCJJHSPACQADLN-UWJYYQICSA-N 1 0 454.546 2.579 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CC[N@@H+]1CCOC ZINC001293507714 1066031680 /nfs/dbraw/zinc/03/16/80/1066031680.db2.gz CDUVFZJEZRREFS-IBGZPJMESA-N 1 0 467.549 2.660 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001293508842 1066033026 /nfs/dbraw/zinc/03/30/26/1066033026.db2.gz FTBMBZGQJSBAIJ-PMACEKPBSA-N 1 0 486.690 2.531 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CC[N@@H+]1CCOC ZINC001293510533 1066035952 /nfs/dbraw/zinc/03/59/52/1066035952.db2.gz SGPRYQYLDFEJAU-LJQANCHMSA-N 1 0 476.572 2.582 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC[N@@H+]1CCOC ZINC001293517146 1066040292 /nfs/dbraw/zinc/04/02/92/1066040292.db2.gz HMMYZHXOZXYVAJ-SFHVURJKSA-N 1 0 461.014 2.887 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@@H+]1CCOC ZINC001293517796 1066040647 /nfs/dbraw/zinc/04/06/47/1066040647.db2.gz JESHCJRVGMBUHG-FQEVSTJZSA-N 1 0 460.598 2.826 20 0 JFADRO 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CC[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[N@H+](C)C(C)C)C[C@@H](C)O1 ZINC001293542246 1066062361 /nfs/dbraw/zinc/06/23/61/1066062361.db2.gz ZFYKBZVVKWODAH-CTNGQTDRSA-N 1 0 492.690 2.929 20 0 JFADRO C[C@H](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)NS(=O)(=O)c1cccnc1Cl ZINC001293543251 1066063306 /nfs/dbraw/zinc/06/33/06/1066063306.db2.gz XPVGPTRKZOTOJK-KURKYZTESA-N 1 0 457.040 2.905 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001293548875 1066064858 /nfs/dbraw/zinc/06/48/58/1066064858.db2.gz BIQGXYHJANTSPQ-DYESRHJHSA-N 1 0 464.408 2.698 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ncnn2C(C)(C)C)CC[N@@H+]1CCOC ZINC001293550496 1066066177 /nfs/dbraw/zinc/06/61/77/1066066177.db2.gz XWOFYGHNMHQCQG-GOSISDBHSA-N 1 0 456.595 2.788 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@H+](C)CCOC)CCO1 ZINC001293553404 1066068288 /nfs/dbraw/zinc/06/82/88/1066068288.db2.gz DTKLBAPUQHVKNS-QGZVFWFLSA-N 1 0 482.423 2.910 20 0 JFADRO 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CC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001293568675 1066080893 /nfs/dbraw/zinc/08/08/93/1066080893.db2.gz QZMJKJPEYLVNES-MOPGFXCFSA-N 1 0 481.567 2.771 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2snnc2C)CC[N@@H+]1CCOC ZINC001293568151 1066080975 /nfs/dbraw/zinc/08/09/75/1066080975.db2.gz NMNIMKWOUICDSM-KRWDZBQOSA-N 1 0 457.604 2.709 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccn3C)n2CCOCC[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293571108 1066082983 /nfs/dbraw/zinc/08/29/83/1066082983.db2.gz KIWKMXDQGUSYCI-PMACEKPBSA-N 1 0 489.665 2.991 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001293572219 1066083783 /nfs/dbraw/zinc/08/37/83/1066083783.db2.gz RIECKVOHQHWDOB-RCZVLFRGSA-N 1 0 468.577 2.934 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC001293572709 1066084463 /nfs/dbraw/zinc/08/44/63/1066084463.db2.gz SWUHHMCXFONAAY-QFIPXVFZSA-N 1 0 465.602 2.837 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)c(OC)c2)CC[N@@H+]1CCOC ZINC001293574590 1066085390 /nfs/dbraw/zinc/08/53/90/1066085390.db2.gz FYVJVOITISSTTP-QFIPXVFZSA-N 1 0 467.618 2.785 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293574614 1066085461 /nfs/dbraw/zinc/08/54/61/1066085461.db2.gz GSGKLBJWNOMICQ-KURKYZTESA-N 1 0 458.611 2.815 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC001293579976 1066089767 /nfs/dbraw/zinc/08/97/67/1066089767.db2.gz SNOPFGRCRCPEHK-JOCHJYFZSA-N 1 0 477.613 2.537 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](CC(C)C)[NH+](C)C)CCO1 ZINC001293581888 1066090693 /nfs/dbraw/zinc/09/06/93/1066090693.db2.gz BGSSUBMUSHQGGU-RBUKOAKNSA-N 1 0 467.618 2.784 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001293585519 1066094088 /nfs/dbraw/zinc/09/40/88/1066094088.db2.gz QTZWWILZBNEDOV-SJBKTWHCSA-N 1 0 470.618 2.552 20 0 JFADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001293585327 1066094123 /nfs/dbraw/zinc/09/41/23/1066094123.db2.gz ARMXCHDGYCBMOU-UHFFFAOYSA-N 1 0 459.837 2.857 20 0 JFADRO C[NH+](C)C1(CNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)CCOCC1 ZINC001293591207 1066097630 /nfs/dbraw/zinc/09/76/30/1066097630.db2.gz PSZZOHVAYTYCHI-UHFFFAOYSA-N 1 0 451.976 2.981 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)CCCOC)CCO1 ZINC001293593989 1066100573 /nfs/dbraw/zinc/10/05/73/1066100573.db2.gz GMZGOQCJJWPCAF-SFTDATJTSA-N 1 0 494.681 2.976 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@@H+]1CCOC ZINC001293595464 1066104163 /nfs/dbraw/zinc/10/41/63/1066104163.db2.gz SCIPZVWURIZNLI-VXKWHMMOSA-N 1 0 456.635 2.638 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC001293595654 1066104687 /nfs/dbraw/zinc/10/46/87/1066104687.db2.gz PLAKOPABGAUESP-RBBKRZOGSA-N 1 0 470.618 2.748 20 0 JFADRO 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CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CC[NH+](CC)CC2)CCS1 ZINC001293601185 1066117487 /nfs/dbraw/zinc/11/74/87/1066117487.db2.gz UOFMFJFPTWXQBB-MOPGFXCFSA-N 1 0 455.694 2.634 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CC[NH+](CC)CC2)CCS1 ZINC001293601187 1066117539 /nfs/dbraw/zinc/11/75/39/1066117539.db2.gz UOFMFJFPTWXQBB-RBUKOAKNSA-N 1 0 455.694 2.634 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC[N@@H+]1CCOC ZINC001293602513 1066118995 /nfs/dbraw/zinc/11/89/95/1066118995.db2.gz XNPUWQCUJKXBAN-WIYYLYMNSA-N 1 0 459.591 2.763 20 0 JFADRO CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC001293603333 1066119987 /nfs/dbraw/zinc/11/99/87/1066119987.db2.gz XIQWNHMULIIRQG-NRFANRHFSA-N 1 0 456.635 2.755 20 0 JFADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Br ZINC001293605782 1066121314 /nfs/dbraw/zinc/12/13/14/1066121314.db2.gz CPQLFFQHVCWKAY-HNNXBMFYSA-N 1 0 458.422 2.647 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)C[C@@H]1N1CCOCC1 ZINC001293608551 1066123786 /nfs/dbraw/zinc/12/37/86/1066123786.db2.gz MYSNMGJQLGGWMU-GCJKJVERSA-N 1 0 463.573 2.857 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCCCO)C[C@@H]1N1CCOCC1 ZINC001293608548 1066123852 /nfs/dbraw/zinc/12/38/52/1066123852.db2.gz MYSNMGJQLGGWMU-AVRDEDQJSA-N 1 0 463.573 2.857 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1N1CCOCC1 ZINC001293612274 1066128118 /nfs/dbraw/zinc/12/81/18/1066128118.db2.gz LOGWSKSKJUTYRR-FUPPJEDESA-N 1 0 455.651 2.541 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001293613451 1066130551 /nfs/dbraw/zinc/13/05/51/1066130551.db2.gz RYIXKDAEOTWSNV-RCZVLFRGSA-N 1 0 457.619 2.530 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293616916 1066133791 /nfs/dbraw/zinc/13/37/91/1066133791.db2.gz PVCORXINZUWBEA-NVQXNPDNSA-N 1 0 482.629 2.928 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCc2nccnc2C)CC[N@@H+]1CCOC ZINC001293619359 1066135454 /nfs/dbraw/zinc/13/54/54/1066135454.db2.gz BFTVVRQIGNEYJQ-FQEVSTJZSA-N 1 0 455.632 2.819 20 0 JFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CNC(=O)c2ccc(F)cc2)CC1 ZINC001293622498 1066139070 /nfs/dbraw/zinc/13/90/70/1066139070.db2.gz SBGOWYOGRFZOPS-UHFFFAOYSA-N 1 0 452.452 2.643 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001293640836 1066157301 /nfs/dbraw/zinc/15/73/01/1066157301.db2.gz UQTVMRQKSNTLRY-BWKNWUBXSA-N 1 0 473.618 2.518 20 0 JFADRO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001293643147 1066158210 /nfs/dbraw/zinc/15/82/10/1066158210.db2.gz AXTMVXOIOSJJMD-ROUUACIJSA-N 1 0 483.535 2.967 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293643793 1066159154 /nfs/dbraw/zinc/15/91/54/1066159154.db2.gz HIBWPWGERZNEPI-LEWJYISDSA-N 1 0 474.625 2.885 20 0 JFADRO CC[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001293645679 1066161184 /nfs/dbraw/zinc/16/11/84/1066161184.db2.gz XNFOZKOJNWLIGK-PZJWPPBQSA-N 1 0 488.608 2.554 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NCc1coc(-c2ccccc2)n1 ZINC001293645587 1066161222 /nfs/dbraw/zinc/16/12/22/1066161222.db2.gz DRKHPGUCLHVWQA-UHFFFAOYSA-N 1 0 456.568 2.810 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001293652698 1066164999 /nfs/dbraw/zinc/16/49/99/1066164999.db2.gz JZGULNBBWQQBQX-ZCNNSNEGSA-N 1 0 460.623 2.926 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2)CC[N@@H+]1CCOC ZINC001293654228 1066167087 /nfs/dbraw/zinc/16/70/87/1066167087.db2.gz SYIVSUHSQYNXDG-PZJWPPBQSA-N 1 0 459.591 2.742 20 0 JFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001293682887 1066173699 /nfs/dbraw/zinc/17/36/99/1066173699.db2.gz UJKNZMIJVKTSAK-ROUUACIJSA-N 1 0 453.505 2.671 20 0 JFADRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001293682888 1066173710 /nfs/dbraw/zinc/17/37/10/1066173710.db2.gz UJKNZMIJVKTSAK-ZWKOTPCHSA-N 1 0 453.505 2.671 20 0 JFADRO CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293683465 1066174005 /nfs/dbraw/zinc/17/40/05/1066174005.db2.gz QIDATRZUYROAPC-IZRJCCQOSA-N 1 0 468.602 2.671 20 0 JFADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2cccc(NC(=O)NC3CC3)c2)CC1 ZINC001293688216 1066174417 /nfs/dbraw/zinc/17/44/17/1066174417.db2.gz CGRGDGJNGQMDJZ-UHFFFAOYSA-N 1 0 451.571 2.873 20 0 JFADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CC2)c(C)c1 ZINC001293688634 1066174577 /nfs/dbraw/zinc/17/45/77/1066174577.db2.gz GLBOOULRLAJVOC-RBBKRZOGSA-N 1 0 459.656 2.959 20 0 JFADRO CC(=O)N[C@@H](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001293707508 1066179520 /nfs/dbraw/zinc/17/95/20/1066179520.db2.gz IGBOANNUYQRFQC-FQEVSTJZSA-N 1 0 452.393 2.587 20 0 JFADRO CC/C=C/Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001293724313 1066184175 /nfs/dbraw/zinc/18/41/75/1066184175.db2.gz DBEAFYCKNZHUOR-ZZXKWVIFSA-N 1 0 456.566 2.707 20 0 JFADRO CC/C=C\Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001293726206 1066185155 /nfs/dbraw/zinc/18/51/55/1066185155.db2.gz PPYZIWZLOWRAGN-TYMZIRIGSA-N 1 0 460.667 2.891 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293743716 1066211153 /nfs/dbraw/zinc/21/11/53/1066211153.db2.gz UCXXFZVNAGQRKL-SBUREZEXSA-N 1 0 461.010 2.550 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293743714 1066211169 /nfs/dbraw/zinc/21/11/69/1066211169.db2.gz UCXXFZVNAGQRKL-GAJHUEQPSA-N 1 0 461.010 2.550 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001293746017 1066215600 /nfs/dbraw/zinc/21/56/00/1066215600.db2.gz XRBHZOSIQJVHGP-OFVILXPXSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001293746015 1066215641 /nfs/dbraw/zinc/21/56/41/1066215641.db2.gz XRBHZOSIQJVHGP-BWKNWUBXSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001293746071 1066216094 /nfs/dbraw/zinc/21/60/94/1066216094.db2.gz YSGWMXBQLNNHCY-IEBWSBKVSA-N 1 0 458.607 2.798 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293785262 1066284337 /nfs/dbraw/zinc/28/43/37/1066284337.db2.gz MMXGROMBVLVSOU-XDHUDOTRSA-N 1 0 493.027 2.937 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293786084 1066286734 /nfs/dbraw/zinc/28/67/34/1066286734.db2.gz DVFBUCRAEFTXDR-FCHUYYIVSA-N 1 0 483.661 2.830 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001293787519 1066292645 /nfs/dbraw/zinc/29/26/45/1066292645.db2.gz COPUETIKIFWAJL-ACRUOGEOSA-N 1 0 473.666 2.626 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001293809710 1066320568 /nfs/dbraw/zinc/32/05/68/1066320568.db2.gz PVAAQWZSGYSOLL-DFBJGRDBSA-N 1 0 473.618 2.672 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293817570 1066324872 /nfs/dbraw/zinc/32/48/72/1066324872.db2.gz ISCIPWINULAEFB-PXDATVDWSA-N 1 0 455.651 2.804 20 0 JFADRO CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001293818642 1066325618 /nfs/dbraw/zinc/32/56/18/1066325618.db2.gz LTESBGDYHNRQPC-BKSPAHHJSA-N 1 0 454.619 2.881 20 0 JFADRO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293818873 1066326299 /nfs/dbraw/zinc/32/62/99/1066326299.db2.gz ASPTXHOAKTXYCX-SWHJIRTISA-N 1 0 460.667 2.866 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293822512 1066330101 /nfs/dbraw/zinc/33/01/01/1066330101.db2.gz VALQIDBXOKXZLE-BLFHIAQRSA-N 1 0 483.661 2.579 20 0 JFADRO CCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001293835238 1066339802 /nfs/dbraw/zinc/33/98/02/1066339802.db2.gz LDBYYFQAJKCAFY-VWLOTQADSA-N 1 0 454.619 2.664 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001293853720 1066360260 /nfs/dbraw/zinc/36/02/60/1066360260.db2.gz WJVRREYYCOJUCD-LJQANCHMSA-N 1 0 482.633 2.845 20 0 JFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)[C@@H]1c1cccs1 ZINC001293863531 1066374520 /nfs/dbraw/zinc/37/45/20/1066374520.db2.gz DFEHIWOMRVATCQ-ZYRMUBPZSA-N 1 0 459.587 2.591 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293877658 1066387225 /nfs/dbraw/zinc/38/72/25/1066387225.db2.gz QNGVLOTYIANVNF-FQEVSTJZSA-N 1 0 480.665 2.819 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293911598 1066397963 /nfs/dbraw/zinc/39/79/63/1066397963.db2.gz UQBJCAWXPFJQJQ-LJQANCHMSA-N 1 0 490.722 2.889 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001293943809 1066431420 /nfs/dbraw/zinc/43/14/20/1066431420.db2.gz DMPKSLCWKOVWEN-HBMCJLEFSA-N 1 0 487.693 2.872 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCC2)C1 ZINC001293943770 1066432047 /nfs/dbraw/zinc/43/20/47/1066432047.db2.gz HAMSXBIJUAQUPX-RTWAWAEBSA-N 1 0 487.693 2.796 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001293943810 1066432101 /nfs/dbraw/zinc/43/21/01/1066432101.db2.gz DMPKSLCWKOVWEN-PCCBWWKXSA-N 1 0 487.693 2.872 20 0 JFADRO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC001293959292 1066457938 /nfs/dbraw/zinc/45/79/38/1066457938.db2.gz OQXQIRPKDDUNOX-HLAWJBBLSA-N 1 0 490.674 2.683 20 0 JFADRO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC001293959294 1066457971 /nfs/dbraw/zinc/45/79/71/1066457971.db2.gz OQXQIRPKDDUNOX-SESVDKBCSA-N 1 0 490.674 2.683 20 0 JFADRO CCC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001293981539 1066485057 /nfs/dbraw/zinc/48/50/57/1066485057.db2.gz HGHPMRYIZGOJBZ-PKTZIBPZSA-N 1 0 455.651 2.684 20 0 JFADRO C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC001294000051 1066501921 /nfs/dbraw/zinc/50/19/21/1066501921.db2.gz RABKFRHICRRHPP-HXUWFJFHSA-N 1 0 454.590 2.609 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(n2)CCCC3)CC[N@@H+]1CCOC ZINC001294054329 1066525899 /nfs/dbraw/zinc/52/58/99/1066525899.db2.gz GPQNHMHZHXCCMF-QFIPXVFZSA-N 1 0 483.661 2.676 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)SC)CC[N@@H+]1CCOC ZINC001294054687 1066527158 /nfs/dbraw/zinc/52/71/58/1066527158.db2.gz LTVJNMLRPRZKQH-SFHVURJKSA-N 1 0 452.669 2.593 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC(F)(F)F)CC[N@@H+]1CCOC ZINC001294054820 1066527465 /nfs/dbraw/zinc/52/74/65/1066527465.db2.gz OJXZADOEPFJIAT-KRWDZBQOSA-N 1 0 460.545 2.794 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)CC[N@@H+]1CCOC ZINC001294056133 1066529974 /nfs/dbraw/zinc/52/99/74/1066529974.db2.gz YQECDPJEKGDEAU-HXUWFJFHSA-N 1 0 485.633 2.679 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC2)CC[N@@H+]1CCOC ZINC001294066817 1066536844 /nfs/dbraw/zinc/53/68/44/1066536844.db2.gz FDYQYWOWEHBJPL-HXUWFJFHSA-N 1 0 461.632 2.696 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294066833 1066536876 /nfs/dbraw/zinc/53/68/76/1066536876.db2.gz FFRMPNHIQLALKG-SQJMNOBHSA-N 1 0 473.618 2.696 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC[N@@H+]1CCOC ZINC001294066798 1066536955 /nfs/dbraw/zinc/53/69/55/1066536955.db2.gz JSFDLQZVJKWLLH-NRFANRHFSA-N 1 0 467.618 2.981 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CC[N@@H+]1CCOC ZINC001294066914 1066537184 /nfs/dbraw/zinc/53/71/84/1066537184.db2.gz HEPHNPQJZXAOTP-IBGZPJMESA-N 1 0 458.998 2.712 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CC[N@@H+]1CCOC ZINC001294073089 1066542147 /nfs/dbraw/zinc/54/21/47/1066542147.db2.gz JQWOJRDOPQOUHY-NRFANRHFSA-N 1 0 464.618 2.787 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001294077379 1066546484 /nfs/dbraw/zinc/54/64/84/1066546484.db2.gz OISBZPQWZCUOHF-GOSISDBHSA-N 1 0 456.620 2.794 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001294077465 1066547008 /nfs/dbraw/zinc/54/70/08/1066547008.db2.gz PJLJSXCQPKJVDV-IBGZPJMESA-N 1 0 469.565 2.868 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CC[N@@H+]1CCOC ZINC001294078316 1066547898 /nfs/dbraw/zinc/54/78/98/1066547898.db2.gz YJKDNYUXVBXIHB-NRFANRHFSA-N 1 0 453.591 2.564 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@@H+]1CCOC ZINC001294078594 1066548314 /nfs/dbraw/zinc/54/83/14/1066548314.db2.gz BKCZSBXOLXZFKD-LEWJYISDSA-N 1 0 471.650 2.619 20 0 JFADRO CCC[C@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294080187 1066548754 /nfs/dbraw/zinc/54/87/54/1066548754.db2.gz COKZGOSHHSHSRN-HKUYNNGSSA-N 1 0 458.573 2.977 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CC[N@@H+]1CCOC ZINC001294082498 1066551839 /nfs/dbraw/zinc/55/18/39/1066551839.db2.gz KSFGXINHVVHRIU-SFHVURJKSA-N 1 0 456.620 2.794 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC[N@@H+]1CCOC ZINC001294082633 1066552216 /nfs/dbraw/zinc/55/22/16/1066552216.db2.gz MKETYTMIHKCBHL-IPMKNSEASA-N 1 0 468.593 2.992 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294084149 1066553647 /nfs/dbraw/zinc/55/36/47/1066553647.db2.gz ZACUMUHIYILXBP-VXKWHMMOSA-N 1 0 472.634 2.687 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001294085085 1066555172 /nfs/dbraw/zinc/55/51/72/1066555172.db2.gz DFTKWNOQWUNBKT-HKBOAZHASA-N 1 0 492.665 2.932 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001294085579 1066556058 /nfs/dbraw/zinc/55/60/58/1066556058.db2.gz UWHRUTPNJAUENE-FGZHOGPDSA-N 1 0 454.619 2.717 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC001294086962 1066558771 /nfs/dbraw/zinc/55/87/71/1066558771.db2.gz PEOZVTUACZJXEZ-PWRODBHTSA-N 1 0 467.680 2.840 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC[N@@H+]1CCOC ZINC001294087837 1066560084 /nfs/dbraw/zinc/56/00/84/1066560084.db2.gz XYNBOVXTOJMORS-CJFMBICVSA-N 1 0 460.667 2.815 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)CC[N@@H+]1CCOC ZINC001294089495 1066560620 /nfs/dbraw/zinc/56/06/20/1066560620.db2.gz BLFAFOBCGYRIOB-CJAUYULYSA-N 1 0 490.599 2.563 20 0 JFADRO Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001294091883 1066562641 /nfs/dbraw/zinc/56/26/41/1066562641.db2.gz YZDWAOPDIHCPTA-NRFANRHFSA-N 1 0 450.700 2.926 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294092055 1066563078 /nfs/dbraw/zinc/56/30/78/1066563078.db2.gz SVSBUKKJVBJAPL-GGAORHGYSA-N 1 0 486.636 2.956 20 0 JFADRO C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c23)C1 ZINC001164390647 718809547 /nfs/dbraw/zinc/80/95/47/718809547.db2.gz BDDRFOQDHJDXCU-KRWDZBQOSA-N 1 0 468.671 2.860 20 0 JFADRO F[C@]1(N2CC[C@H]3[NH2+]CCO[C@@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164390426 718823193 /nfs/dbraw/zinc/82/31/93/718823193.db2.gz OMYSSCQDAAIMOQ-LZJOCLMNSA-N 1 0 452.361 2.984 20 0 JFADRO F[C@@]1(N2CCN3CC[NH2+]C[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164398675 718835810 /nfs/dbraw/zinc/83/58/10/718835810.db2.gz JJIGKPGUGOTOBM-HRAATJIYSA-N 1 0 451.377 2.511 20 0 JFADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH2+]C[C@]2(CO)C1 ZINC001164402962 718852440 /nfs/dbraw/zinc/85/24/40/718852440.db2.gz HBDJIHLIZBELPM-BFUOFWGJSA-N 1 0 473.307 2.703 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164419469 718913018 /nfs/dbraw/zinc/91/30/18/718913018.db2.gz ARRNJBZTYZFZRC-OAQYLSRUSA-N 1 0 482.915 2.617 20 0 JFADRO c1sc2nc(CN3CCOCC3)nc(N3CCCO[C@]4(C[NH2+]CCOC4)C3)c2c1-c1ccccc1 ZINC001164423845 718916306 /nfs/dbraw/zinc/91/63/06/718916306.db2.gz KCUMZMAXEFBBQW-AREMUKBSSA-N 1 0 495.649 2.776 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164434089 718968960 /nfs/dbraw/zinc/96/89/60/718968960.db2.gz NVXOCXWDJAPUMG-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164434091 718969209 /nfs/dbraw/zinc/96/92/09/718969209.db2.gz NVXOCXWDJAPUMG-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164619399 719007129 /nfs/dbraw/zinc/00/71/29/719007129.db2.gz WBINWFVUQIPFMM-VBKZILBWSA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164617787 719007371 /nfs/dbraw/zinc/00/73/71/719007371.db2.gz PSOXPUJYRPAETE-VBKZILBWSA-N 1 0 457.953 2.890 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164617376 719010669 /nfs/dbraw/zinc/01/06/69/719010669.db2.gz NSNJXLPKGMNWFV-CWTRNNRKSA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164620866 719011643 /nfs/dbraw/zinc/01/16/43/719011643.db2.gz ZSPKMEDYNTWZNK-OXJNMPFZSA-N 1 0 491.988 2.833 20 0 JFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618266 719016749 /nfs/dbraw/zinc/01/67/49/719016749.db2.gz RSUQTNNATOUCPC-NJAFHUGGSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)nc4c3cc(C(=O)OC)n4C)CC2)CC1 ZINC001164617901 719030955 /nfs/dbraw/zinc/03/09/55/719030955.db2.gz QZAHMDMPORYHKW-UHFFFAOYSA-N 1 0 463.966 2.652 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)NC(C)(C)CC)cn3)CC2)CC1 ZINC001164617600 719032797 /nfs/dbraw/zinc/03/27/97/719032797.db2.gz MNSBTKAMRPRVHS-UHFFFAOYSA-N 1 0 466.648 2.792 20 0 JFADRO CCOC(=O)c1ccnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)c1C(=O)OCC ZINC001164616463 719035076 /nfs/dbraw/zinc/03/50/76/719035076.db2.gz CREIKUPZCCJGMT-UHFFFAOYSA-N 1 0 461.559 2.679 20 0 JFADRO CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164635952 719143780 /nfs/dbraw/zinc/14/37/80/719143780.db2.gz XSEVHCNBKTZTAN-WNCULLNHSA-N 1 0 461.610 2.587 20 0 JFADRO O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)C1 ZINC001164651303 719322243 /nfs/dbraw/zinc/32/22/43/719322243.db2.gz GRHLASYMSWSDOO-RUZDIDTESA-N 1 0 467.545 2.737 20 0 JFADRO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)n1 ZINC001164665430 719357520 /nfs/dbraw/zinc/35/75/20/719357520.db2.gz XCIDWJJWNXDXHP-RUZDIDTESA-N 1 0 451.619 2.657 20 0 JFADRO C[N@@H+]1CCO[C@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@@H]21 ZINC001164667852 719439675 /nfs/dbraw/zinc/43/96/75/719439675.db2.gz HWNVXOOPPLUORQ-DQEYMECFSA-N 1 0 478.618 2.992 20 0 JFADRO O=S(=O)(c1ccccc1)N(c1ccc(CN2CCOCC2)cn1)[C@H]1CCC12CC[NH2+]CC2 ZINC001164685848 719591986 /nfs/dbraw/zinc/59/19/86/719591986.db2.gz MTDXWJUWROYYRM-QFIPXVFZSA-N 1 0 456.612 2.641 20 0 JFADRO CC[C@@H]1C(=O)Nc2cnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681643 719620644 /nfs/dbraw/zinc/62/06/44/719620644.db2.gz KCPYGOYOBDBRED-HXUWFJFHSA-N 1 0 452.607 2.628 20 0 JFADRO CC[C@H]1C(=O)N(C)c2cnc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681250 719622157 /nfs/dbraw/zinc/62/21/57/719622157.db2.gz FFFBTMGBWXYCPD-FQEVSTJZSA-N 1 0 466.634 2.652 20 0 JFADRO Cc1sc2nc(CN3CCOCC3)nc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679509 719638348 /nfs/dbraw/zinc/63/83/48/719638348.db2.gz DJFUAARODGTKPL-UHFFFAOYSA-N 1 0 469.659 2.812 20 0 JFADRO COC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc1OC ZINC001164681706 719659732 /nfs/dbraw/zinc/65/97/32/719659732.db2.gz QHAUKPYIXMNFHH-IBGZPJMESA-N 1 0 480.609 2.970 20 0 JFADRO COC(=O)c1cccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681708 719660523 /nfs/dbraw/zinc/66/05/23/719660523.db2.gz QIBCQPMRPNYUHV-IBGZPJMESA-N 1 0 450.583 2.962 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cn4cncn4)cn3)CC2)c2ccccc21 ZINC001164680383 719677120 /nfs/dbraw/zinc/67/71/20/719677120.db2.gz DKALJXLHCARAID-JOCHJYFZSA-N 1 0 473.625 2.815 20 0 JFADRO COCCOC(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681742 719681661 /nfs/dbraw/zinc/68/16/61/719681661.db2.gz ABVUGDXPKBBDJD-QFIPXVFZSA-N 1 0 494.636 2.978 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3c(Cl)nccc3C(N)=O)CC2)c2ccccc21 ZINC001164685801 719681722 /nfs/dbraw/zinc/68/17/22/719681722.db2.gz MIISLCDRXFCMRT-QGZVFWFLSA-N 1 0 470.017 2.927 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C(N)=O)nc(C4CC4)n3)CC2)c2ccccc21 ZINC001164686706 719683944 /nfs/dbraw/zinc/68/39/44/719683944.db2.gz PJFJMGISDNMLLN-LJQANCHMSA-N 1 0 476.625 2.546 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C(=O)NCc3ccccc3)cc(Cl)n1)CC2 ZINC001164682259 719704850 /nfs/dbraw/zinc/70/48/50/719704850.db2.gz CSWDIIQYEBCMKC-UHFFFAOYSA-N 1 0 455.990 2.846 20 0 JFADRO COC(=O)C1CCN(c2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n2)CC1 ZINC001164697663 719895133 /nfs/dbraw/zinc/89/51/33/719895133.db2.gz MTVBGIBOBMYRJI-UHFFFAOYSA-N 1 0 471.627 2.799 20 0 JFADRO O=C([C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21)N1CCCCO1 ZINC001164707528 719914099 /nfs/dbraw/zinc/91/40/99/719914099.db2.gz SRDZWWZNOSPOPX-TZRRMPRUSA-N 1 0 462.594 2.893 20 0 JFADRO O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21)N1CCCCO1 ZINC001164704228 719925547 /nfs/dbraw/zinc/92/55/47/719925547.db2.gz QEZFUBGTSBGLMC-NSISKUIASA-N 1 0 482.959 2.909 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cnccn3)C2)nc1 ZINC001164714636 720056347 /nfs/dbraw/zinc/05/63/47/720056347.db2.gz QONVPZVIIPJFLL-FMRHZRETSA-N 1 0 450.587 2.832 20 0 JFADRO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)[C@H]2CCCO[C@H]12 ZINC001164710726 720062032 /nfs/dbraw/zinc/06/20/32/720062032.db2.gz GFZKCIBPDWVBQH-MVWVFHAYSA-N 1 0 460.619 2.653 20 0 JFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164718665 720113554 /nfs/dbraw/zinc/11/35/54/720113554.db2.gz ULAACADJWPEBEI-IBGZPJMESA-N 1 0 455.559 2.564 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(Cl)nc(N3CCOCC3)nc1Cl)C2 ZINC001164812545 720129275 /nfs/dbraw/zinc/12/92/75/720129275.db2.gz PHVJDLONOMEZJJ-HRAATJIYSA-N 1 0 456.418 2.805 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CCN(c4ccccc4)CC3)nn1)C2 ZINC001164820343 720170342 /nfs/dbraw/zinc/17/03/42/720170342.db2.gz ZZEFLJQAIIDXDN-YIXXDRMTSA-N 1 0 462.642 2.988 20 0 JFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164815571 720173725 /nfs/dbraw/zinc/17/37/25/720173725.db2.gz IIHMWHLWWNVFMC-WMZHIEFXSA-N 1 0 450.649 2.733 20 0 JFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164719632 720176412 /nfs/dbraw/zinc/17/64/12/720176412.db2.gz XHOCBKJHTQCXSH-KRWDZBQOSA-N 1 0 462.982 2.565 20 0 JFADRO CCOC(=O)c1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc2ccccc21 ZINC001164717072 720180686 /nfs/dbraw/zinc/18/06/86/720180686.db2.gz KIUJALIQVHNAII-QFIPXVFZSA-N 1 0 464.570 2.756 20 0 JFADRO CCOc1cc2ncnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1OCC ZINC001164719909 720182678 /nfs/dbraw/zinc/18/26/78/720182678.db2.gz YNAPBHBCBJNMEH-OAQYLSRUSA-N 1 0 481.601 2.772 20 0 JFADRO Cn1nnc2c1CCN(c1ncnc3c1ccn3Cc1cccc(F)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719178 720184690 /nfs/dbraw/zinc/18/46/90/720184690.db2.gz TXTMZPFSQZLTIQ-HSZRJFAPSA-N 1 0 490.587 2.963 20 0 JFADRO CCOC(=O)c1cc2c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)[nH]c(C)c(C)c-2n1 ZINC001164718398 720188028 /nfs/dbraw/zinc/18/80/28/720188028.db2.gz POFICOTXOUYELJ-NRFANRHFSA-N 1 0 481.601 2.701 20 0 JFADRO Cn1nnc2c1CCN(c1nccc(Oc3cccc(F)c3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713742 720192919 /nfs/dbraw/zinc/19/29/19/720192919.db2.gz CUVBFVCPBARGER-HXUWFJFHSA-N 1 0 453.522 2.753 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718169 720193043 /nfs/dbraw/zinc/19/30/43/720193043.db2.gz YIEOFFQLAUWTNE-AWEZNQCLSA-N 1 0 476.359 2.759 20 0 JFADRO Cn1nnc2c1CCN(c1ncccc1C(=O)N1CCc3ccccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164717760 720196055 /nfs/dbraw/zinc/19/60/55/720196055.db2.gz WUUDKEAYLHJDPN-DEOSSOPVSA-N 1 0 487.608 2.629 20 0 JFADRO Cc1nc2sc3c(c2c(N2CCc4c(nnn4C)[C@H]2COCC[NH+]2CCCC2)n1)CCC3 ZINC001164715653 720196217 /nfs/dbraw/zinc/19/62/17/720196217.db2.gz LZMIAMGILRTFAR-GOSISDBHSA-N 1 0 453.616 2.833 20 0 JFADRO Cc1ccc(-c2nc3c(ncnc3N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)o2)cc1 ZINC001164716134 720198018 /nfs/dbraw/zinc/19/80/18/720198018.db2.gz PCWDIRHHZNLXRG-FQEVSTJZSA-N 1 0 474.569 2.938 20 0 JFADRO Cc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(-c2ccc(Cl)nc2)n1 ZINC001164716648 720202847 /nfs/dbraw/zinc/20/28/47/720202847.db2.gz QVLLEXBDDPRYSN-IBGZPJMESA-N 1 0 468.993 2.845 20 0 JFADRO COc1cc2nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)ccc2c(OC)c1 ZINC001164713250 720203908 /nfs/dbraw/zinc/20/39/08/720203908.db2.gz AEDQWZPOAFGNTK-NRFANRHFSA-N 1 0 452.559 2.597 20 0 JFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164813558 720227235 /nfs/dbraw/zinc/22/72/35/720227235.db2.gz PEGWODVBDKXGES-UHFFFAOYSA-N 1 0 469.920 2.874 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2C(=O)NCc2ccccc2)CC1 ZINC001164818961 720297751 /nfs/dbraw/zinc/29/77/51/720297751.db2.gz CDFQSLVWUBOURE-DNQXCXABSA-N 1 0 461.610 2.923 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C(=O)NCc2ccccc2)CC1 ZINC001164818963 720298299 /nfs/dbraw/zinc/29/82/99/720298299.db2.gz CDFQSLVWUBOURE-ZEQRLZLVSA-N 1 0 461.610 2.923 20 0 JFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823232 720301719 /nfs/dbraw/zinc/30/17/19/720301719.db2.gz PQEPCNDBKYTRET-HOTGVXAUSA-N 1 0 456.969 2.652 20 0 JFADRO COC(=O)c1cc(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)cnc1Cl ZINC001164822659 720309654 /nfs/dbraw/zinc/30/96/54/720309654.db2.gz NYHGRCDGVSXZOB-ROUUACIJSA-N 1 0 470.948 2.978 20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819667 720315718 /nfs/dbraw/zinc/31/57/18/720315718.db2.gz FQTUHSVTMKCFFH-SJORKVTESA-N 1 0 470.948 2.978 20 0 JFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2c1 ZINC001164833956 720319214 /nfs/dbraw/zinc/31/92/14/720319214.db2.gz YHAXYSWHSUMRMA-YADHBBJMSA-N 1 0 451.571 2.718 20 0 JFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829776 720319643 /nfs/dbraw/zinc/31/96/43/720319643.db2.gz NQAYPPATKZTORA-VQTJNVASSA-N 1 0 471.989 2.981 20 0 JFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164829502 720330133 /nfs/dbraw/zinc/33/01/33/720330133.db2.gz MUYQXKATJVPIAQ-ZEQRLZLVSA-N 1 0 478.641 2.927 20 0 JFADRO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164828942 720331823 /nfs/dbraw/zinc/33/18/23/720331823.db2.gz KRIZWERHWYILJU-GVOZXERRSA-N 1 0 451.571 2.661 20 0 JFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164831361 720334010 /nfs/dbraw/zinc/33/40/10/720334010.db2.gz RMHSEYVJLFYQGR-ROUUACIJSA-N 1 0 470.948 2.978 20 0 JFADRO Cc1cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc(NC(=O)c2ccccc2)n1 ZINC001164828740 720348483 /nfs/dbraw/zinc/34/84/83/720348483.db2.gz POTHYKIEFMCFDG-FCHUYYIVSA-N 1 0 462.598 2.949 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001164830261 720356207 /nfs/dbraw/zinc/35/62/07/720356207.db2.gz VPTFHLHIVRWDJU-IAGOWNOFSA-N 1 0 483.444 2.532 20 0 JFADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724331 720362484 /nfs/dbraw/zinc/36/24/84/720362484.db2.gz JROPQNDERSRKPI-FGZHOGPDSA-N 1 0 460.563 2.917 20 0 JFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncccc2C(=O)NCCSCc2ccco2)C1 ZINC001164726142 720519341 /nfs/dbraw/zinc/51/93/41/720519341.db2.gz AYFMPLLCCLHYLS-SFHVURJKSA-N 1 0 454.600 2.732 20 0 JFADRO Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1 ZINC001164733083 720551871 /nfs/dbraw/zinc/55/18/71/720551871.db2.gz JHJDEUWNTUYMPT-UHFFFAOYSA-N 1 0 491.621 2.832 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164836344 720563827 /nfs/dbraw/zinc/56/38/27/720563827.db2.gz JPMXXGMUZZSMBD-RLFYNMQTSA-N 1 0 457.966 2.972 20 0 JFADRO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)CC1 ZINC001164837308 720568320 /nfs/dbraw/zinc/56/83/20/720568320.db2.gz LPSDLIHAQCRGJY-YTFSRNRJSA-N 1 0 481.645 2.830 20 0 JFADRO CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)cc2C1 ZINC001164837772 720606409 /nfs/dbraw/zinc/60/64/09/720606409.db2.gz JIDXZKQPWMKOHN-KCZVDYSFSA-N 1 0 453.591 2.566 20 0 JFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)C1 ZINC001164838785 720607646 /nfs/dbraw/zinc/60/76/46/720607646.db2.gz LWDPDHZLBBSPSR-SSGKUCQKSA-N 1 0 481.645 2.830 20 0 JFADRO O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164745080 720647484 /nfs/dbraw/zinc/64/74/84/720647484.db2.gz UIEONOFOVKDLGE-PMACEKPBSA-N 1 0 464.957 2.797 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(N3CCOCC3)nc3c1CCN3)CC2 ZINC001164845427 720679859 /nfs/dbraw/zinc/67/98/59/720679859.db2.gz ZOCNYFFWIBCLHM-NRFANRHFSA-N 1 0 464.614 2.541 20 0 JFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743878 720688426 /nfs/dbraw/zinc/68/84/26/720688426.db2.gz YNUUADSMEHUSIY-GJZGRUSLSA-N 1 0 454.918 2.592 20 0 JFADRO FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164748200 720807439 /nfs/dbraw/zinc/80/74/39/720807439.db2.gz QAPDVADEJINJKW-NWDGAFQWSA-N 1 0 453.906 2.503 20 0 JFADRO COc1cc2nc(C)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2cc1OC ZINC001164741627 720829518 /nfs/dbraw/zinc/82/95/18/720829518.db2.gz NZSLCEOEXDXXHF-WOIUINJBSA-N 1 0 463.586 2.926 20 0 JFADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740595 720835266 /nfs/dbraw/zinc/83/52/66/720835266.db2.gz DAONOHLJMYETNM-QNWVGRARSA-N 1 0 487.587 2.985 20 0 JFADRO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164740593 720835502 /nfs/dbraw/zinc/83/55/02/720835502.db2.gz DAONOHLJMYETNM-MQSCRBSSSA-N 1 0 487.587 2.985 20 0 JFADRO COC(=O)c1cc2c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH]c(Cl)cc-2n1 ZINC001164744735 720839459 /nfs/dbraw/zinc/83/94/59/720839459.db2.gz LNGUDOORFIBQEM-RZQQEMMASA-N 1 0 469.977 2.974 20 0 JFADRO COC(=O)c1c(Cl)cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1OC ZINC001164742438 720842415 /nfs/dbraw/zinc/84/24/15/720842415.db2.gz GLRBXIGKAAPGBV-JFIYKMOQSA-N 1 0 460.966 2.501 20 0 JFADRO FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747545 720847395 /nfs/dbraw/zinc/84/73/95/720847395.db2.gz RFDJSXZITCLODV-YESZJQIVSA-N 1 0 453.925 2.568 20 0 JFADRO FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743567 720849461 /nfs/dbraw/zinc/84/94/61/720849461.db2.gz JFRLZQYMNBMLSS-GVDBMIGSSA-N 1 0 453.925 2.568 20 0 JFADRO c1ncn(C[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164752571 720853299 /nfs/dbraw/zinc/85/32/99/720853299.db2.gz SVWYJQHLQCWTKV-YZUZCNPQSA-N 1 0 456.598 2.998 20 0 JFADRO NC(=S)c1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c2sccc21 ZINC001164747621 720860906 /nfs/dbraw/zinc/86/09/06/720860906.db2.gz ILAZZOVJTFWGFT-GPMSIDNRSA-N 1 0 453.641 2.901 20 0 JFADRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC[C@@H]2C1 ZINC001164863693 720873483 /nfs/dbraw/zinc/87/34/83/720873483.db2.gz UACLURYRPSNAGS-IAGOWNOFSA-N 1 0 453.921 2.910 20 0 JFADRO COC(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C(=O)OC ZINC001164755281 720875163 /nfs/dbraw/zinc/87/51/63/720875163.db2.gz VRTIJUYBVAICDA-JIPXPUAJSA-N 1 0 494.592 2.805 20 0 JFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164754576 720876305 /nfs/dbraw/zinc/87/63/05/720876305.db2.gz SBGZXPKJRXSEQY-FNZWTVRRSA-N 1 0 476.581 2.846 20 0 JFADRO CCOC(=O)c1cnc(OC)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164752843 720886032 /nfs/dbraw/zinc/88/60/32/720886032.db2.gz GBVAJPDDMMDGEF-QFQXNSOFSA-N 1 0 481.597 2.812 20 0 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JFADRO Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164982376 722092698 /nfs/dbraw/zinc/09/26/98/722092698.db2.gz QAFNJXHZCMRILJ-VDKIKQQVSA-N 1 0 472.593 2.540 20 0 JFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982855 722105628 /nfs/dbraw/zinc/10/56/28/722105628.db2.gz PNCOLPXCWSSEOS-RTBURBONSA-N 1 0 494.974 2.634 20 0 JFADRO c1ccc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982504 722115203 /nfs/dbraw/zinc/11/52/03/722115203.db2.gz WUFFTLFVMBLEJR-QPPBQGQZSA-N 1 0 460.582 2.589 20 0 JFADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982508 722115869 /nfs/dbraw/zinc/11/58/69/722115869.db2.gz WUFFTLFVMBLEJR-XUZZJYLKSA-N 1 0 460.582 2.589 20 0 JFADRO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC(C)=O ZINC001164981147 722132501 /nfs/dbraw/zinc/13/25/01/722132501.db2.gz ORFVQPLJKBPFJL-CJFMBICVSA-N 1 0 491.548 2.603 20 0 JFADRO 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COC(=O)c1ccc2nc(Cl)c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2c1 ZINC001165000258 722251116 /nfs/dbraw/zinc/25/11/16/722251116.db2.gz NDVBMQQVSSQDTE-UHFFFAOYSA-N 1 0 458.950 2.755 20 0 JFADRO CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001873 722255258 /nfs/dbraw/zinc/25/52/58/722255258.db2.gz HTZFRALOTISLDA-UHFFFAOYSA-N 1 0 465.602 2.701 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cnc3c(Cl)ncnc3c1)CCC2 ZINC001165002277 722255610 /nfs/dbraw/zinc/25/56/10/722255610.db2.gz MVRLLOANJFZWHY-UHFFFAOYSA-N 1 0 451.909 2.908 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CCC2 ZINC001165005001 722257443 /nfs/dbraw/zinc/25/74/43/722257443.db2.gz ZNGVWHVNOAENAX-UHFFFAOYSA-N 1 0 477.613 2.665 20 0 JFADRO CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC1CC[NH+](C)CC1 ZINC001264056556 1059514061 /nfs/dbraw/zinc/51/40/61/1059514061.db2.gz SVINPZANBKNXLS-UHFFFAOYSA-N 1 0 453.605 2.698 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC[N@H+](C)C[C@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109362 1059520312 /nfs/dbraw/zinc/52/03/12/1059520312.db2.gz OPSPPYTWCWSNGR-VXKWHMMOSA-N 1 0 459.616 2.515 20 0 JFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC001264111819 1059521563 /nfs/dbraw/zinc/52/15/63/1059521563.db2.gz AIJHCBHKUSISFC-UHFFFAOYSA-N 1 0 456.612 2.858 20 0 JFADRO COC1CC[NH+](C(C)(C)CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000593922869 1059593108 /nfs/dbraw/zinc/59/31/08/1059593108.db2.gz OBWNMIVLZAHABK-NRFANRHFSA-N 1 0 453.649 2.694 20 0 JFADRO COc1cc(OC)cc(N2C[C@@H](C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2=O)c1 ZINC001264462531 1059595299 /nfs/dbraw/zinc/59/52/99/1059595299.db2.gz HZGPTJOZDLMSJN-FQEVSTJZSA-N 1 0 451.567 2.880 20 0 JFADRO Cc1oc(C(=O)Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)cc1S(C)(=O)=O ZINC001264775851 1059672798 /nfs/dbraw/zinc/67/27/98/1059672798.db2.gz FUNOGIFRURUJOT-UHFFFAOYSA-N 1 0 454.552 2.961 20 0 JFADRO COCCOCc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001264832115 1059699881 /nfs/dbraw/zinc/69/98/81/1059699881.db2.gz WDJJNSMCQUGTSE-HSZRJFAPSA-N 1 0 452.599 2.919 20 0 JFADRO Cc1c(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)nnn1Cc1ccc(F)cc1F ZINC001264934779 1059732224 /nfs/dbraw/zinc/73/22/24/1059732224.db2.gz YVRYINWUCYTANW-QFIPXVFZSA-N 1 0 454.525 2.632 20 0 JFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001264936310 1059732684 /nfs/dbraw/zinc/73/26/84/1059732684.db2.gz KUHXVJONDWCUIC-CPJSRVTESA-N 1 0 458.603 2.631 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3ccc(Br)cc3=O)cc2F)CC1 ZINC001264950059 1059736338 /nfs/dbraw/zinc/73/63/38/1059736338.db2.gz AZPBQTWUJOTFEJ-UHFFFAOYSA-N 1 0 451.340 2.919 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001265006317 1059749494 /nfs/dbraw/zinc/74/94/94/1059749494.db2.gz DAPNGTYFPMVIEG-FQEVSTJZSA-N 1 0 450.649 2.755 20 0 JFADRO CO[C@H]1CCC[C@H]1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001265133830 1059776673 /nfs/dbraw/zinc/77/66/73/1059776673.db2.gz 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2.878 20 0 JFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001265436010 1059859582 /nfs/dbraw/zinc/85/95/82/1059859582.db2.gz BDLLNEHNASTIGX-CVDCTZTESA-N 1 0 456.543 2.516 20 0 JFADRO Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001265482142 1059869793 /nfs/dbraw/zinc/86/97/93/1059869793.db2.gz HNRYYCPZTZWZGR-SFHVURJKSA-N 1 0 454.575 2.645 20 0 JFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001265524956 1059879112 /nfs/dbraw/zinc/87/91/12/1059879112.db2.gz LGDPMCVUJVLLJO-DEOSSOPVSA-N 1 0 456.562 2.988 20 0 JFADRO CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001265847267 1059935541 /nfs/dbraw/zinc/93/55/41/1059935541.db2.gz KMKADQMKSBKHFU-XXBNENTESA-N 1 0 453.624 2.800 20 0 JFADRO Brc1ccc(OCc2nnc(N3CCOCC3)n2CC[NH+]2CCCCC2)cc1 ZINC001286267186 1060027125 /nfs/dbraw/zinc/02/71/25/1060027125.db2.gz MGIPIEJSICVNJO-UHFFFAOYSA-N 1 0 450.381 2.942 20 0 JFADRO 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CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001286874629 1061290020 /nfs/dbraw/zinc/29/00/20/1061290020.db2.gz AHSISPPEWRXVAU-MOPGFXCFSA-N 1 0 462.602 2.922 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286874633 1061290233 /nfs/dbraw/zinc/29/02/33/1061290233.db2.gz AHTPODJCUOGHPX-PMACEKPBSA-N 1 0 464.618 2.646 20 0 JFADRO Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CC[NH+](CCOC(C)C)CC2)c(=O)n1C ZINC001289670769 1061290461 /nfs/dbraw/zinc/29/04/61/1061290461.db2.gz XCGUYBLBBQNDSB-UHFFFAOYSA-N 1 0 450.587 2.548 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286878835 1061299433 /nfs/dbraw/zinc/29/94/33/1061299433.db2.gz XPBJNQYEDTYFQB-UHFFFAOYSA-N 1 0 451.575 2.856 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286883046 1061312769 /nfs/dbraw/zinc/31/27/69/1061312769.db2.gz HTSCJDQCOIQYBQ-HXOBKFHXSA-N 1 0 459.664 2.813 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)CC2)cc1 ZINC001289701194 1061313877 /nfs/dbraw/zinc/31/38/77/1061313877.db2.gz PQNOXKHJQXRYLG-UHFFFAOYSA-N 1 0 495.672 2.582 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](C)[NH+](C)C)CC2)cc1 ZINC001289701045 1061314003 /nfs/dbraw/zinc/31/40/03/1061314003.db2.gz OPKASAIFLZVUEL-SIKLNZKXSA-N 1 0 454.619 2.573 20 0 JFADRO CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001286883975 1061316659 /nfs/dbraw/zinc/31/66/59/1061316659.db2.gz AKNUSTBCMOSCEJ-SFHVURJKSA-N 1 0 487.674 2.591 20 0 JFADRO CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001286883973 1061316873 /nfs/dbraw/zinc/31/68/73/1061316873.db2.gz AKNUSTBCMOSCEJ-GOSISDBHSA-N 1 0 487.674 2.591 20 0 JFADRO Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001289706920 1061317593 /nfs/dbraw/zinc/31/75/93/1061317593.db2.gz ZHIZXLKZTRFUOZ-UGKGYDQZSA-N 1 0 472.609 2.809 20 0 JFADRO Cc1ccc(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001289713446 1061320719 /nfs/dbraw/zinc/32/07/19/1061320719.db2.gz KWPHAVUAMMIIRJ-NRFANRHFSA-N 1 0 476.647 2.562 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H](C)C1 ZINC001286884977 1061322027 /nfs/dbraw/zinc/32/20/27/1061322027.db2.gz SLISJZGQEUZBHI-YLJYHZDGSA-N 1 0 459.664 2.811 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC001286885229 1061323038 /nfs/dbraw/zinc/32/30/38/1061323038.db2.gz YVDHJCXTXWDIMD-UZUQRXQVSA-N 1 0 460.623 2.502 20 0 JFADRO CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC001286885709 1061324794 /nfs/dbraw/zinc/32/47/94/1061324794.db2.gz NBYJUAUXLAGPMI-SFHVURJKSA-N 1 0 487.674 2.591 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3C[C@H](CC(C)C)[NH+](C)C)CC2=O)cc1 ZINC001289716823 1061324894 /nfs/dbraw/zinc/32/48/94/1061324894.db2.gz RCHMNCNAGNXJKR-NRFANRHFSA-N 1 0 462.602 2.873 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886143 1061327097 /nfs/dbraw/zinc/32/70/97/1061327097.db2.gz AXONABBZLCUCNO-MQSCRBSSSA-N 1 0 473.710 2.686 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286886261 1061328091 /nfs/dbraw/zinc/32/80/91/1061328091.db2.gz BQJPBPQBCXUOEM-TYPHKJRUSA-N 1 0 487.718 2.929 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cc(Cl)ccn3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289723029 1061331711 /nfs/dbraw/zinc/33/17/11/1061331711.db2.gz PGLLUOCHHUQDQZ-DEOSSOPVSA-N 1 0 484.004 2.899 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC(CC(=O)N(C)C)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289732399 1061342104 /nfs/dbraw/zinc/34/21/04/1061342104.db2.gz DRAYANFRSSKFMJ-LJQANCHMSA-N 1 0 469.634 2.792 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC([C@H]4CCOC4)CC3)n2CCOCC[NH+](C)C)cc1C ZINC001289732467 1061342472 /nfs/dbraw/zinc/34/24/72/1061342472.db2.gz GAAXAVJTPPHKIY-QFIPXVFZSA-N 1 0 484.645 2.978 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC(Nc4cccnn4)CC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289735729 1061347721 /nfs/dbraw/zinc/34/77/21/1061347721.db2.gz RAJDFTFAJQLTPJ-LJQANCHMSA-N 1 0 477.617 2.968 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001289738559 1061350934 /nfs/dbraw/zinc/35/09/34/1061350934.db2.gz AKLWLNBCKPWJPB-NRFANRHFSA-N 1 0 470.618 2.873 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001286890381 1061353432 /nfs/dbraw/zinc/35/34/32/1061353432.db2.gz ZKTPFGVZOBHAKE-NRFANRHFSA-N 1 0 489.665 2.893 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCOCCCO)cc1C ZINC001289740291 1061354609 /nfs/dbraw/zinc/35/46/09/1061354609.db2.gz MRIUAFPCDWPRCR-UHFFFAOYSA-N 1 0 472.634 2.857 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCS(C)(=O)=O)cc1C ZINC001289741231 1061356559 /nfs/dbraw/zinc/35/65/59/1061356559.db2.gz TZNSMSLJZDBZFC-UHFFFAOYSA-N 1 0 490.674 2.893 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2CC[NH+]2CCCCCC2)cc1C ZINC001289746262 1061362950 /nfs/dbraw/zinc/36/29/50/1061362950.db2.gz DRTRVOGZXGKXLH-UHFFFAOYSA-N 1 0 458.632 2.592 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289746490 1061363571 /nfs/dbraw/zinc/36/35/71/1061363571.db2.gz IMUTWYLGDIRYOA-FQEVSTJZSA-N 1 0 472.659 2.836 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)nc1 ZINC001289748287 1061368575 /nfs/dbraw/zinc/36/85/75/1061368575.db2.gz PFVRIHCFYWRZPM-OAQYLSRUSA-N 1 0 496.660 2.851 20 0 JFADRO CC(=O)Nc1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001286893688 1061369692 /nfs/dbraw/zinc/36/96/92/1061369692.db2.gz STAGQHKVCMGQQI-UHFFFAOYSA-N 1 0 467.618 2.568 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001289750503 1061371647 /nfs/dbraw/zinc/37/16/47/1061371647.db2.gz ILIRQCOWFRWMPX-UHFFFAOYSA-N 1 0 469.634 2.922 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC001286895534 1061375441 /nfs/dbraw/zinc/37/54/41/1061375441.db2.gz LTZRDDBODZVLST-UHFFFAOYSA-N 1 0 463.590 2.693 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895682 1061376331 /nfs/dbraw/zinc/37/63/31/1061376331.db2.gz YOGBNEQFVULYNB-NLFFAJNJSA-N 1 0 495.672 2.862 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001289755498 1061378022 /nfs/dbraw/zinc/37/80/22/1061378022.db2.gz CZGXROPDAIFLSN-LJQANCHMSA-N 1 0 460.586 2.850 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001289756008 1061378974 /nfs/dbraw/zinc/37/89/74/1061378974.db2.gz ICWRRPTYRHGWMW-NRFANRHFSA-N 1 0 481.645 2.904 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001289757755 1061379603 /nfs/dbraw/zinc/37/96/03/1061379603.db2.gz USNWBBKKINZUEC-HSZRJFAPSA-N 1 0 483.661 2.787 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001289757883 1061379852 /nfs/dbraw/zinc/37/98/52/1061379852.db2.gz WMCKMYDJBNGGDE-JPYJTQIMSA-N 1 0 458.632 2.603 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001286896567 1061379906 /nfs/dbraw/zinc/37/99/06/1061379906.db2.gz GUXNHXCLODMQHV-UHFFFAOYSA-N 1 0 487.624 2.571 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286896545 1061380105 /nfs/dbraw/zinc/38/01/05/1061380105.db2.gz FTVBNFZPIHRXAI-KPQWGBOZSA-N 1 0 473.666 2.518 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001286897523 1061382600 /nfs/dbraw/zinc/38/26/00/1061382600.db2.gz RJPKEFDLROCUAY-UHFFFAOYSA-N 1 0 475.682 2.812 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286897974 1061383955 /nfs/dbraw/zinc/38/39/55/1061383955.db2.gz UPKVAQCTIYQXLF-ONZKCSKKSA-N 1 0 496.660 2.929 20 0 JFADRO O=C(CS(=O)(=O)Cc1cccc(Br)c1)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001289763702 1061385357 /nfs/dbraw/zinc/38/53/57/1061385357.db2.gz WDVGOIKZMRKEJI-UHFFFAOYSA-N 1 0 452.374 2.544 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286898374 1061386280 /nfs/dbraw/zinc/38/62/80/1061386280.db2.gz YFCFHEUYZZNJLF-VNXZQDSDSA-N 1 0 499.635 2.840 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286900202 1061391276 /nfs/dbraw/zinc/39/12/76/1061391276.db2.gz AVSJHAJCPPLJBT-UJKMTWAASA-N 1 0 473.666 2.623 20 0 JFADRO Cc1ccc(OC2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H](C3CC3)[NH+](C)C)CC2)cc1 ZINC001289769769 1061391663 /nfs/dbraw/zinc/39/16/63/1061391663.db2.gz UMBRDOBWVXOZNE-AVRDEDQJSA-N 1 0 490.674 2.585 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286900474 1061392285 /nfs/dbraw/zinc/39/22/85/1061392285.db2.gz IBRXDMOJGGHUBE-NSPGOJQLSA-N 1 0 476.666 2.903 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001289772161 1061392975 /nfs/dbraw/zinc/39/29/75/1061392975.db2.gz FNKVRJZBRZWBBF-RBUKOAKNSA-N 1 0 461.632 2.519 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286900770 1061393336 /nfs/dbraw/zinc/39/33/36/1061393336.db2.gz LBVJTVAIGJBQTN-PDYGVTHMSA-N 1 0 456.639 2.683 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001286900905 1061393413 /nfs/dbraw/zinc/39/34/13/1061393413.db2.gz MDUUZTDEENPIOE-KMFTYDHNSA-N 1 0 454.623 2.741 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286903415 1061402648 /nfs/dbraw/zinc/40/26/48/1061402648.db2.gz BIJKBNCLAZZWEV-QUCCMNQESA-N 1 0 482.633 2.541 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)Cc3cnccn3)n2CC[NH+]2CCSCC2)cc1C ZINC001289782900 1061406602 /nfs/dbraw/zinc/40/66/02/1061406602.db2.gz OAFUVNBSENXCCY-UHFFFAOYSA-N 1 0 453.616 2.949 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286904558 1061410821 /nfs/dbraw/zinc/41/08/21/1061410821.db2.gz UOYBVGLILRNVGB-RPCJCACASA-N 1 0 490.052 2.845 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001286904624 1061412102 /nfs/dbraw/zinc/41/21/02/1061412102.db2.gz SLSLETIRHFYUGT-DDRJZQQSSA-N 1 0 484.645 2.654 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CCN3CCOCC3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001289787830 1061414559 /nfs/dbraw/zinc/41/45/59/1061414559.db2.gz QXODWHHEEPXBHH-VWLOTQADSA-N 1 0 488.702 2.680 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001286905635 1061420411 /nfs/dbraw/zinc/42/04/11/1061420411.db2.gz VARBAZLXEBZVSV-HSZRJFAPSA-N 1 0 481.645 2.984 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001289792757 1061426681 /nfs/dbraw/zinc/42/66/81/1061426681.db2.gz WESKAKRCVXVQPU-AZUAARDMSA-N 1 0 452.559 2.728 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001286906563 1061427788 /nfs/dbraw/zinc/42/77/88/1061427788.db2.gz DWQDHLWLENVBBX-BWKNWUBXSA-N 1 0 476.666 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001289796409 1061429675 /nfs/dbraw/zinc/42/96/75/1061429675.db2.gz ACUQALDUWGJDAJ-DLBZAZTESA-N 1 0 468.524 2.620 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001289802708 1061438893 /nfs/dbraw/zinc/43/88/93/1061438893.db2.gz NLQABYXXTKWRRZ-NHCUHLMSSA-N 1 0 454.619 2.989 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(=O)NC(C)C)cc1C ZINC001289805241 1061441842 /nfs/dbraw/zinc/44/18/42/1061441842.db2.gz IYALRYSEPSFJRG-QHCPKHFHSA-N 1 0 497.688 2.603 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286908479 1061445472 /nfs/dbraw/zinc/44/54/72/1061445472.db2.gz PHNAQVDZACKURY-ICSRJNTNSA-N 1 0 488.608 2.773 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286908474 1061445547 /nfs/dbraw/zinc/44/55/47/1061445547.db2.gz PHALZYPQJQVNAW-KRWDZBQOSA-N 1 0 480.455 2.739 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001286908602 1061446267 /nfs/dbraw/zinc/44/62/67/1061446267.db2.gz JMEVWWHFMXGJQN-QFIPXVFZSA-N 1 0 479.629 2.767 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286910057 1061455180 /nfs/dbraw/zinc/45/51/80/1061455180.db2.gz LAEHUFQCXVUKIE-LJQANCHMSA-N 1 0 480.617 2.818 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001289810606 1061456935 /nfs/dbraw/zinc/45/69/35/1061456935.db2.gz VOJAYAQPPKARND-GCJKJVERSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286910489 1061457285 /nfs/dbraw/zinc/45/72/85/1061457285.db2.gz CPYARFSCVXAYGG-OAQYLSRUSA-N 1 0 497.669 2.727 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001289812027 1061461711 /nfs/dbraw/zinc/46/17/11/1061461711.db2.gz LJIDXKILMSOGTK-CJFMBICVSA-N 1 0 454.619 2.858 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001286913371 1061474253 /nfs/dbraw/zinc/47/42/53/1061474253.db2.gz PRCLPWAWEILFQG-XMMPIXPASA-N 1 0 478.645 2.767 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286913776 1061477224 /nfs/dbraw/zinc/47/72/24/1061477224.db2.gz YVTKIOBQKAJYJT-QAPCUYQASA-N 1 0 479.423 2.675 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(=O)NCc2ccco2)cc1 ZINC001289820450 1061481654 /nfs/dbraw/zinc/48/16/54/1061481654.db2.gz FTSJWQWYOANJMB-UHFFFAOYSA-N 1 0 466.586 2.995 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](c2ccco2)[NH+](C)C)cc1C ZINC001289824123 1061488516 /nfs/dbraw/zinc/48/85/16/1061488516.db2.gz DZEKEQURGNGGSL-HXUWFJFHSA-N 1 0 452.559 2.648 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC001289824924 1061493340 /nfs/dbraw/zinc/49/33/40/1061493340.db2.gz SCKBTGKTWVEPQK-HSZRJFAPSA-N 1 0 497.688 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289825201 1061495033 /nfs/dbraw/zinc/49/50/33/1061495033.db2.gz XDJNCUGLFNRAEU-OYRHEFFESA-N 1 0 484.645 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC001289827789 1061503272 /nfs/dbraw/zinc/50/32/72/1061503272.db2.gz KVZHDWGLMKCHAL-FQEVSTJZSA-N 1 0 454.600 2.856 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001286917651 1061503884 /nfs/dbraw/zinc/50/38/84/1061503884.db2.gz QZCDFQPBXSCUKQ-UHFFFAOYSA-N 1 0 497.692 2.676 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC001286918251 1061505318 /nfs/dbraw/zinc/50/53/18/1061505318.db2.gz BIIKKKWVVKVMBT-DEOSSOPVSA-N 1 0 468.646 2.587 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001286918474 1061506279 /nfs/dbraw/zinc/50/62/79/1061506279.db2.gz GLJIJZPMZGSGKX-DEOSSOPVSA-N 1 0 461.614 2.980 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001286919593 1061510323 /nfs/dbraw/zinc/51/03/23/1061510323.db2.gz MKXGWNROTBWPFJ-UHFFFAOYSA-N 1 0 464.618 2.672 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001286919688 1061511213 /nfs/dbraw/zinc/51/12/13/1061511213.db2.gz KUVJGGPITREPAV-UHFFFAOYSA-N 1 0 452.603 2.841 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001286919793 1061511648 /nfs/dbraw/zinc/51/16/48/1061511648.db2.gz WKDZNUQCYOXOLJ-QFIPXVFZSA-N 1 0 466.634 2.598 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286921259 1061516325 /nfs/dbraw/zinc/51/63/25/1061516325.db2.gz BNAAERPJXBZHRW-GOSISDBHSA-N 1 0 458.582 2.833 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001286921668 1061518171 /nfs/dbraw/zinc/51/81/71/1061518171.db2.gz IQMLTNFUGYSENQ-LADGPHEKSA-N 1 0 495.672 2.914 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001286924134 1061529325 /nfs/dbraw/zinc/52/93/25/1061529325.db2.gz WIMRPRJXJJIHTM-NRFANRHFSA-N 1 0 477.613 2.681 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924320 1061529848 /nfs/dbraw/zinc/52/98/48/1061529848.db2.gz XVRFCLTUVFOYRI-UPVQGACJSA-N 1 0 468.646 2.963 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286924886 1061532534 /nfs/dbraw/zinc/53/25/34/1061532534.db2.gz AODYQHGBIGHGQM-JOCHJYFZSA-N 1 0 480.661 2.988 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(CC(C)(C)C)n2CC[N@H+]2CC=CCC2)cc1 ZINC001289856306 1061534005 /nfs/dbraw/zinc/53/40/05/1061534005.db2.gz POCZZMBSFFIEKS-UHFFFAOYSA-N 1 0 474.675 2.852 20 0 JFADRO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001289860487 1061541042 /nfs/dbraw/zinc/54/10/42/1061541042.db2.gz AIKTVMATRNNSGD-FQEVSTJZSA-N 1 0 472.659 2.658 20 0 JFADRO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001289860488 1061541078 /nfs/dbraw/zinc/54/10/78/1061541078.db2.gz AIKTVMATRNNSGD-HXUWFJFHSA-N 1 0 472.659 2.658 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001286926768 1061541694 /nfs/dbraw/zinc/54/16/94/1061541694.db2.gz HACBISVCHSFOIT-HFMPRLQTSA-N 1 0 467.662 2.984 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001289862520 1061545247 /nfs/dbraw/zinc/54/52/47/1061545247.db2.gz IKNQSRZWTZOHQA-RTWAWAEBSA-N 1 0 486.686 2.783 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286928136 1061547354 /nfs/dbraw/zinc/54/73/54/1061547354.db2.gz VZNYURSMXNSGPL-IBGZPJMESA-N 1 0 496.660 2.788 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001286928633 1061549373 /nfs/dbraw/zinc/54/93/73/1061549373.db2.gz ZEESFLMCPFUEAZ-UHFFFAOYSA-N 1 0 483.661 2.657 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001289867780 1061549439 /nfs/dbraw/zinc/54/94/39/1061549439.db2.gz MAMUGRQPVRWYJI-DEOSSOPVSA-N 1 0 486.686 2.816 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@H]([NH+]4CCCCC4)C3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001289870242 1061553236 /nfs/dbraw/zinc/55/32/36/1061553236.db2.gz QAHXMULQXGAIOU-FQEVSTJZSA-N 1 0 492.715 2.835 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001289875309 1061557686 /nfs/dbraw/zinc/55/76/86/1061557686.db2.gz IFIHMKWHVWXRGB-FQEVSTJZSA-N 1 0 492.715 2.835 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001286932148 1061560354 /nfs/dbraw/zinc/56/03/54/1061560354.db2.gz NJBCMQOIAJILOW-UHFFFAOYSA-N 1 0 488.080 2.977 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286933942 1061566849 /nfs/dbraw/zinc/56/68/49/1061566849.db2.gz BXAHOAOKBBLPEN-HXUWFJFHSA-N 1 0 470.666 2.757 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286934284 1061568889 /nfs/dbraw/zinc/56/88/89/1061568889.db2.gz FTTCEGPFJNEZOX-UHFFFAOYSA-N 1 0 453.635 2.738 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2cccc(O)c2)CC[N@@H+]1CCOC ZINC001294094612 1061572741 /nfs/dbraw/zinc/57/27/41/1061572741.db2.gz KNMHNSLWGLNSDU-QFIPXVFZSA-N 1 0 450.587 2.955 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(COc3ccc(C)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001286936151 1061576679 /nfs/dbraw/zinc/57/66/79/1061576679.db2.gz WCBOXZJZROGPGE-UHFFFAOYSA-N 1 0 497.688 2.544 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286936076 1061576854 /nfs/dbraw/zinc/57/68/54/1061576854.db2.gz VCAPNDRPJXHTMO-DEOSSOPVSA-N 1 0 490.649 2.786 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC[N@@H+]1CCOC ZINC001294097821 1061576875 /nfs/dbraw/zinc/57/68/75/1061576875.db2.gz CYOBVHNQUNCSTL-YPAWHYETSA-N 1 0 473.666 2.916 20 0 JFADRO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001289891007 1061577115 /nfs/dbraw/zinc/57/71/15/1061577115.db2.gz ZXONLMWARBQXNZ-OAQYLSRUSA-N 1 0 454.619 2.877 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286936290 1061577084 /nfs/dbraw/zinc/57/70/84/1061577084.db2.gz YSYKYQLKKNDCOP-FCHUYYIVSA-N 1 0 458.582 2.924 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)ccc3C)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001286936314 1061577655 /nfs/dbraw/zinc/57/76/55/1061577655.db2.gz ZIQZJGNOKHXZOB-UHFFFAOYSA-N 1 0 498.672 2.937 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2CC(C)(C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC001286937206 1061579612 /nfs/dbraw/zinc/57/96/12/1061579612.db2.gz NWMJILCPGMXVBU-QFIPXVFZSA-N 1 0 454.619 2.580 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC001286938275 1061581103 /nfs/dbraw/zinc/58/11/03/1061581103.db2.gz YNHKDSIAKKLDJE-QFIPXVFZSA-N 1 0 454.619 2.561 20 0 JFADRO Cc1cccc(C)c1NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001289897140 1061583600 /nfs/dbraw/zinc/58/36/00/1061583600.db2.gz YMNSLKHETMMNAN-HXUWFJFHSA-N 1 0 467.618 2.736 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@@H](C)[NH+](C)C)CCO1 ZINC001286942377 1061594280 /nfs/dbraw/zinc/59/42/80/1061594280.db2.gz UVQFLSJRMIQVDJ-CJNGLKHVSA-N 1 0 455.390 2.543 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001289908205 1061596120 /nfs/dbraw/zinc/59/61/20/1061596120.db2.gz FAGUBMDVMHPUCF-RTWAWAEBSA-N 1 0 476.629 2.559 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC001289909555 1061599614 /nfs/dbraw/zinc/59/96/14/1061599614.db2.gz QMVGNZQEGHSRRX-CMKODMSKSA-N 1 0 462.664 2.886 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001286944998 1061614931 /nfs/dbraw/zinc/61/49/31/1061614931.db2.gz CYROXDZBJHUCSM-GCJKJVERSA-N 1 0 491.036 2.584 20 0 JFADRO Cc1cccc(-c2nnc(N(C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)n2CCS(C)(=O)=O)n1 ZINC001289926422 1061617467 /nfs/dbraw/zinc/61/74/67/1061617467.db2.gz WOWXFMZPHWXCSW-OAQYLSRUSA-N 1 0 468.627 2.651 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001289928647 1061618640 /nfs/dbraw/zinc/61/86/40/1061618640.db2.gz JHMHTXGLYDASOV-XMMPIXPASA-N 1 0 454.550 2.760 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286945236 1061621210 /nfs/dbraw/zinc/62/12/10/1061621210.db2.gz WIOULZVGEYGQOW-SIKLNZKXSA-N 1 0 469.634 2.502 20 0 JFADRO CCCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001294140202 1061627251 /nfs/dbraw/zinc/62/72/51/1061627251.db2.gz ZEFFHKWOLREWIV-UXHICEINSA-N 1 0 480.654 2.934 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946638 1061636152 /nfs/dbraw/zinc/63/61/52/1061636152.db2.gz RFKXGHXAFKBHAF-ZJSXRUAMSA-N 1 0 498.672 2.937 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946632 1061636281 /nfs/dbraw/zinc/63/62/81/1061636281.db2.gz RFKXGHXAFKBHAF-URXFXBBRSA-N 1 0 498.672 2.937 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001289947387 1061637023 /nfs/dbraw/zinc/63/70/23/1061637023.db2.gz GAZPQNBNBBKKOE-MRXNPFEDSA-N 1 0 465.524 2.638 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001289947783 1061638007 /nfs/dbraw/zinc/63/80/07/1061638007.db2.gz KZAIERTXVVPWCK-HZPDHXFCSA-N 1 0 465.524 2.636 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001286946763 1061638907 /nfs/dbraw/zinc/63/89/07/1061638907.db2.gz KJJWZBVRCRKEII-AZUAARDMSA-N 1 0 490.599 2.610 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286947295 1061642028 /nfs/dbraw/zinc/64/20/28/1061642028.db2.gz SXENEOQBAZCBGY-AUSIDOKSSA-N 1 0 482.654 2.792 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948069 1061650623 /nfs/dbraw/zinc/65/06/23/1061650623.db2.gz OSIJJQBJDVOJGE-AUSIDOKSSA-N 1 0 490.599 2.609 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC001286948149 1061654242 /nfs/dbraw/zinc/65/42/42/1061654242.db2.gz ZNFCCVYCIVFWJD-GNMGOMLTSA-N 1 0 482.673 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001286948175 1061655107 /nfs/dbraw/zinc/65/51/07/1061655107.db2.gz ZVRPGOXJNVTYFX-TZBSWOFLSA-N 1 0 482.673 2.773 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001286948174 1061655166 /nfs/dbraw/zinc/65/51/66/1061655166.db2.gz ZVRPGOXJNVTYFX-OTNCWRBYSA-N 1 0 482.673 2.773 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)C3=NO[C@@]4(C3)CCCN(C(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001289958125 1061657312 /nfs/dbraw/zinc/65/73/12/1061657312.db2.gz PBEGDDXRPUEADK-XMMPIXPASA-N 1 0 457.575 2.923 20 0 JFADRO CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001286949086 1061666820 /nfs/dbraw/zinc/66/68/20/1061666820.db2.gz BOXGKOCYCASPJO-UHFFFAOYSA-N 1 0 467.662 2.775 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001289961478 1061668759 /nfs/dbraw/zinc/66/87/59/1061668759.db2.gz SKVWUQKJXACJHN-AVRWGWEMSA-N 1 0 469.634 2.630 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc(CC)n2CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001294173750 1061680828 /nfs/dbraw/zinc/68/08/28/1061680828.db2.gz KDFTZFQZMNMKFS-UHFFFAOYSA-N 1 0 460.667 2.960 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCN(C(=O)C(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001289973768 1061686376 /nfs/dbraw/zinc/68/63/76/1061686376.db2.gz WUJUONGWTLSQEX-QFIPXVFZSA-N 1 0 483.661 2.580 20 0 JFADRO CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001286951835 1061692403 /nfs/dbraw/zinc/69/24/03/1061692403.db2.gz FRPHMRZJNNLDAZ-NHCUHLMSSA-N 1 0 485.652 2.529 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC001294189301 1061698272 /nfs/dbraw/zinc/69/82/72/1061698272.db2.gz KEHVSETUZFYXPF-GOSISDBHSA-N 1 0 458.356 2.907 20 0 JFADRO CCCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([NH+](C)C)CCOCC1 ZINC001294190044 1061700268 /nfs/dbraw/zinc/70/02/68/1061700268.db2.gz ZYFDEETZIUINCV-UHFFFAOYSA-N 1 0 463.652 2.585 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(c4cccc(F)c4)C(=O)C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289981024 1061702975 /nfs/dbraw/zinc/70/29/75/1061702975.db2.gz NRFBDWTZLLIJKQ-UHFFFAOYSA-N 1 0 451.550 2.981 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001286954145 1061703655 /nfs/dbraw/zinc/70/36/55/1061703655.db2.gz CFGJPVKFUUZWLA-SFTDATJTSA-N 1 0 489.665 2.941 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(c4ccc(Cl)cn4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289981653 1061704555 /nfs/dbraw/zinc/70/45/55/1061704555.db2.gz ZBNKGMBSHGRGIG-UHFFFAOYSA-N 1 0 471.009 2.602 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC[C@@H]2COCCO2)n1 ZINC001289985073 1061708677 /nfs/dbraw/zinc/70/86/77/1061708677.db2.gz FYGOEZHNRFSHJC-LJQANCHMSA-N 1 0 498.550 2.545 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001294208459 1061711286 /nfs/dbraw/zinc/71/12/86/1061711286.db2.gz DIWJJIOJXGGWHZ-JOCHJYFZSA-N 1 0 454.619 2.878 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001294209029 1061712060 /nfs/dbraw/zinc/71/20/60/1061712060.db2.gz MQGIIRIBCUHCQZ-YPAWHYETSA-N 1 0 481.707 2.944 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)CC1 ZINC001294209614 1061712486 /nfs/dbraw/zinc/71/24/86/1061712486.db2.gz WUBKTYPRGIPWLC-NRFANRHFSA-N 1 0 481.707 2.945 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@](C)(c4ccccc4)C3)n2CCOCC[NH+](C)C)n1 ZINC001289987865 1061712879 /nfs/dbraw/zinc/71/28/79/1061712879.db2.gz DQTLWCPWHMIXMH-VWLOTQADSA-N 1 0 450.587 2.979 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OC)CC1 ZINC001294209670 1061713176 /nfs/dbraw/zinc/71/31/76/1061713176.db2.gz YEWHDSYZONQQHY-FQEVSTJZSA-N 1 0 455.607 2.629 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001294210553 1061715009 /nfs/dbraw/zinc/71/50/09/1061715009.db2.gz LWVGQMIHNNYISX-NLFFAJNJSA-N 1 0 460.667 2.900 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 ZINC001294214347 1061722549 /nfs/dbraw/zinc/72/25/49/1061722549.db2.gz HVMNRAJRYINSOR-VWLOTQADSA-N 1 0 456.635 2.987 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 ZINC001294214298 1061722658 /nfs/dbraw/zinc/72/26/58/1061722658.db2.gz GNAJBGMOPLDVAK-MRXNPFEDSA-N 1 0 454.666 2.635 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)CC1 ZINC001294215422 1061724633 /nfs/dbraw/zinc/72/46/33/1061724633.db2.gz UPFDURSVMIIXRD-UHFFFAOYSA-N 1 0 466.590 2.956 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@H]1C ZINC001294217033 1061726410 /nfs/dbraw/zinc/72/64/10/1061726410.db2.gz OPVAYFDWTAUFKU-GOSISDBHSA-N 1 0 480.704 2.869 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001294217246 1061727388 /nfs/dbraw/zinc/72/73/88/1061727388.db2.gz FNMSZBSALJGTBI-UXHICEINSA-N 1 0 470.618 2.942 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294217296 1061727814 /nfs/dbraw/zinc/72/78/14/1061727814.db2.gz QEUOZDQIUFIOTO-CQSZACIVSA-N 1 0 482.452 2.715 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294217416 1061727914 /nfs/dbraw/zinc/72/79/14/1061727914.db2.gz HABHAYBUPLPLJU-BWKNWUBXSA-N 1 0 497.688 2.674 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001294217247 1061728000 /nfs/dbraw/zinc/72/80/00/1061728000.db2.gz FNMSZBSALJGTBI-VQTJNVASSA-N 1 0 470.618 2.942 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001286959533 1061729702 /nfs/dbraw/zinc/72/97/02/1061729702.db2.gz XWOOWORRPGFNTO-HSZRJFAPSA-N 1 0 489.045 2.869 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294219076 1061730499 /nfs/dbraw/zinc/73/04/99/1061730499.db2.gz VXLSWGSSSHYVBI-SFTDATJTSA-N 1 0 470.618 2.942 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001294221986 1061732532 /nfs/dbraw/zinc/73/25/32/1061732532.db2.gz ZEQRYDYSTGOMKD-UHFFFAOYSA-N 1 0 454.623 2.696 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294223510 1061733727 /nfs/dbraw/zinc/73/37/27/1061733727.db2.gz GQNKTOYLABWKSO-LJQANCHMSA-N 1 0 494.644 2.635 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224415 1061735277 /nfs/dbraw/zinc/73/52/77/1061735277.db2.gz SZJMKUDMTDFWLW-TZIWHRDSSA-N 1 0 472.638 2.649 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225587 1061736676 /nfs/dbraw/zinc/73/66/76/1061736676.db2.gz GEMZZINDWWTNCB-OALUTQOASA-N 1 0 450.628 2.865 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294225747 1061737295 /nfs/dbraw/zinc/73/72/95/1061737295.db2.gz HLZJOYWAUVXZDZ-QFIPXVFZSA-N 1 0 488.702 2.856 20 0 JFADRO Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001290016906 1061740084 /nfs/dbraw/zinc/74/00/84/1061740084.db2.gz OSHMNMQQNHHFEP-OAQYLSRUSA-N 1 0 497.669 2.547 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294230097 1061747092 /nfs/dbraw/zinc/74/70/92/1061747092.db2.gz VLTDPWGXMNRONU-QKLQHJQFSA-N 1 0 463.545 2.818 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294230055 1061747237 /nfs/dbraw/zinc/74/72/37/1061747237.db2.gz UNCDFKSYLRHLIN-QHCPKHFHSA-N 1 0 479.622 2.743 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001294230426 1061747799 /nfs/dbraw/zinc/74/77/99/1061747799.db2.gz WGBKLNBGNIXUOV-OAQYLSRUSA-N 1 0 487.693 2.607 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001294230692 1061747918 /nfs/dbraw/zinc/74/79/18/1061747918.db2.gz ZRXRUYDWWBAGSG-IMSXRSKXSA-N 1 0 459.639 2.644 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001294233662 1061749198 /nfs/dbraw/zinc/74/91/98/1061749198.db2.gz WZVVANFNXMRKNV-SKPFHBQLSA-N 1 0 465.639 2.508 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001294233843 1061749327 /nfs/dbraw/zinc/74/93/27/1061749327.db2.gz ZNUUEJLLRKUYKV-KEVRVKNQSA-N 1 0 465.639 2.507 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC001290033618 1061749963 /nfs/dbraw/zinc/74/99/63/1061749963.db2.gz LCIFKXFTEHVRLS-UHFFFAOYSA-N 1 0 495.672 2.838 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(F)(F)C3)CC2)c1 ZINC001290034700 1061751201 /nfs/dbraw/zinc/75/12/01/1061751201.db2.gz XCVHIOIMOIMKAD-ICSRJNTNSA-N 1 0 496.628 2.954 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286973169 1061758850 /nfs/dbraw/zinc/75/88/50/1061758850.db2.gz ZYQDFZXGTHTRKD-QFIPXVFZSA-N 1 0 484.693 2.915 20 0 JFADRO CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294260443 1061762391 /nfs/dbraw/zinc/76/23/91/1061762391.db2.gz IRCYTWXNTQKKDM-LJQANCHMSA-N 1 0 486.617 2.514 20 0 JFADRO C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973929 1061765101 /nfs/dbraw/zinc/76/51/01/1061765101.db2.gz YKEOVNRVVAILFU-IRLDBZIGSA-N 1 0 489.709 2.677 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(C2CCC2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001286975026 1061772774 /nfs/dbraw/zinc/77/27/74/1061772774.db2.gz AGUWHBGRVOTILI-NHCUHLMSSA-N 1 0 488.702 2.621 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290058063 1061777798 /nfs/dbraw/zinc/77/77/98/1061777798.db2.gz BZSQMNRZZIZXOX-UXHICEINSA-N 1 0 454.619 2.988 20 0 JFADRO CCCCn1cc(Cn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)c(C)n1 ZINC001294296892 1061784286 /nfs/dbraw/zinc/78/42/86/1061784286.db2.gz CTJVSLWYQJSZQZ-IBGZPJMESA-N 1 0 454.623 2.794 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001286976595 1061785132 /nfs/dbraw/zinc/78/51/32/1061785132.db2.gz PCLGPHISMQUQIR-ZFMNYDKASA-N 1 0 469.696 2.940 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCNC(=O)C(C)(C)C)c1 ZINC001290063221 1061788005 /nfs/dbraw/zinc/78/80/05/1061788005.db2.gz MBRMEPHRYJWSHA-UHFFFAOYSA-N 1 0 498.672 2.876 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294304899 1061792271 /nfs/dbraw/zinc/79/22/71/1061792271.db2.gz CAAQPEBJOFUDES-QFIPXVFZSA-N 1 0 473.666 2.616 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294306523 1061793460 /nfs/dbraw/zinc/79/34/60/1061793460.db2.gz BFTWAZVUHXTVQA-RBUKOAKNSA-N 1 0 470.618 2.929 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001290069302 1061793784 /nfs/dbraw/zinc/79/37/84/1061793784.db2.gz FAFUUBAXQVJCAI-OAQYLSRUSA-N 1 0 492.690 2.614 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 ZINC001294306588 1061794081 /nfs/dbraw/zinc/79/40/81/1061794081.db2.gz CDPYNQKGOMYHIE-INIZCTEOSA-N 1 0 464.412 2.627 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001294306738 1061794127 /nfs/dbraw/zinc/79/41/27/1061794127.db2.gz COZGMCXFYLETMX-SBHAEUEKSA-N 1 0 494.662 2.714 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294308166 1061795468 /nfs/dbraw/zinc/79/54/68/1061795468.db2.gz HYOIKCNAPGIMFC-IBGZPJMESA-N 1 0 481.692 2.517 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001294308427 1061795931 /nfs/dbraw/zinc/79/59/31/1061795931.db2.gz KPSWJBGCYMFQNN-GOTSBHOMSA-N 1 0 453.635 2.590 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286978373 1061797828 /nfs/dbraw/zinc/79/78/28/1061797828.db2.gz JFAQPHZMUVLDQF-WHSLLNHNSA-N 1 0 469.652 2.779 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294309178 1061798312 /nfs/dbraw/zinc/79/83/12/1061798312.db2.gz SFGDXSDLFKXMHE-HXUWFJFHSA-N 1 0 491.658 2.852 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294309169 1061798521 /nfs/dbraw/zinc/79/85/21/1061798521.db2.gz ZXXMNDOADQDIEV-ICSRJNTNSA-N 1 0 461.655 2.518 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC001290071611 1061798610 /nfs/dbraw/zinc/79/86/10/1061798610.db2.gz QABNEQGBRZUFIP-QFIPXVFZSA-N 1 0 498.672 2.707 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001294309361 1061799230 /nfs/dbraw/zinc/79/92/30/1061799230.db2.gz VXIGVHDTWFSVFQ-NJYVYQBISA-N 1 0 496.722 2.674 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294310746 1061801751 /nfs/dbraw/zinc/80/17/51/1061801751.db2.gz JAUOAZZRUOINSC-SFTDATJTSA-N 1 0 491.706 2.704 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290075509 1061804446 /nfs/dbraw/zinc/80/44/46/1061804446.db2.gz YERGWOPBAXMWBR-JOCHJYFZSA-N 1 0 492.615 2.909 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294313763 1061806145 /nfs/dbraw/zinc/80/61/45/1061806145.db2.gz DVEYFNLHPRDODU-YADHBBJMSA-N 1 0 474.675 2.932 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294315660 1061808367 /nfs/dbraw/zinc/80/83/67/1061808367.db2.gz CKWOWZNAHCNKKY-GGAORHGYSA-N 1 0 484.645 2.771 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294316600 1061811350 /nfs/dbraw/zinc/81/13/50/1061811350.db2.gz HOWLAPWMKXPALI-SFTDATJTSA-N 1 0 457.623 2.794 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294317468 1061814121 /nfs/dbraw/zinc/81/41/21/1061814121.db2.gz KXSDTXRIDLVCTB-MOPGFXCFSA-N 1 0 487.674 2.591 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCCC1 ZINC001286980606 1061814598 /nfs/dbraw/zinc/81/45/98/1061814598.db2.gz KWTBTRHKVXIUHV-MSOLQXFVSA-N 1 0 458.632 2.790 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001294317699 1061814878 /nfs/dbraw/zinc/81/48/78/1061814878.db2.gz XVXCHYUHDWBNGF-YSFYHYPLSA-N 1 0 496.722 2.890 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294317756 1061814965 /nfs/dbraw/zinc/81/49/65/1061814965.db2.gz YNSKHCYPSPRNGY-JOCHJYFZSA-N 1 0 468.650 2.770 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294317954 1061816710 /nfs/dbraw/zinc/81/67/10/1061816710.db2.gz ZDDYTJUVYKQQJC-RCCFBDPRSA-N 1 0 493.596 2.602 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294318606 1061818578 /nfs/dbraw/zinc/81/85/78/1061818578.db2.gz URKOWOXRWJTDDI-FCHUYYIVSA-N 1 0 491.706 2.808 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294319421 1061822638 /nfs/dbraw/zinc/82/26/38/1061822638.db2.gz ZIUZISXVZREZMK-OTPAQWSUSA-N 1 0 476.666 2.640 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294319704 1061822677 /nfs/dbraw/zinc/82/26/77/1061822677.db2.gz CRLNPKFBZIQPPI-NYUJMHJJSA-N 1 0 484.645 2.542 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001290093421 1061824225 /nfs/dbraw/zinc/82/42/25/1061824225.db2.gz OZYFTGCUKSBWJR-FQEVSTJZSA-N 1 0 475.659 2.768 20 0 JFADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C ZINC001290092967 1061824399 /nfs/dbraw/zinc/82/43/99/1061824399.db2.gz CKICYKLXVSITQB-FPOVZHCZSA-N 1 0 492.690 2.705 20 0 JFADRO Cc1ccccc1[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290095443 1061828090 /nfs/dbraw/zinc/82/80/90/1061828090.db2.gz NPHHDYYAEWKUTA-RTWAWAEBSA-N 1 0 454.619 2.753 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294325094 1061832820 /nfs/dbraw/zinc/83/28/20/1061832820.db2.gz JDHINGUNHXVERT-BHDDXSALSA-N 1 0 498.676 2.613 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[NH+]1CCCCC1)S(C)(=O)=O ZINC001286983457 1061835594 /nfs/dbraw/zinc/83/55/94/1061835594.db2.gz VZYRYURCUKEWNM-RBUKOAKNSA-N 1 0 491.658 2.850 20 0 JFADRO Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001290110313 1061838051 /nfs/dbraw/zinc/83/80/51/1061838051.db2.gz VDKLWDCQRNBLQM-QFIPXVFZSA-N 1 0 463.673 2.704 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294327486 1061842837 /nfs/dbraw/zinc/84/28/37/1061842837.db2.gz VNQYRFUFOOKAOO-QZNHQXDQSA-N 1 0 498.676 2.613 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001294327804 1061843825 /nfs/dbraw/zinc/84/38/25/1061843825.db2.gz XIZFMXGBIBSDNT-VAMGGRTRSA-N 1 0 454.623 2.741 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCCS(C)(=O)=O ZINC001290117993 1061846130 /nfs/dbraw/zinc/84/61/30/1061846130.db2.gz HCMWPQZYOACNFL-UHFFFAOYSA-N 1 0 488.702 2.683 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294329292 1061848421 /nfs/dbraw/zinc/84/84/21/1061848421.db2.gz LGYTVBHJZCRAPT-BDTNDASRSA-N 1 0 490.693 2.539 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001294330855 1061850861 /nfs/dbraw/zinc/85/08/61/1061850861.db2.gz BKUMZECXEAFBBG-BHDDXSALSA-N 1 0 487.693 2.767 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001290123600 1061853404 /nfs/dbraw/zinc/85/34/04/1061853404.db2.gz BUECFJSOOHONJH-OAQYLSRUSA-N 1 0 472.659 2.623 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001290128295 1061860191 /nfs/dbraw/zinc/86/01/91/1061860191.db2.gz CYGFYHZAVVHWCG-UHFFFAOYSA-N 1 0 469.678 2.973 20 0 JFADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCCC2)CCO1 ZINC001290143017 1061878155 /nfs/dbraw/zinc/87/81/55/1061878155.db2.gz BIJQVMARLYDQCA-IRLDBZIGSA-N 1 0 490.674 2.651 20 0 JFADRO Cc1ccccc1[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCCC2)CCO1 ZINC001290143019 1061878247 /nfs/dbraw/zinc/87/82/47/1061878247.db2.gz BIJQVMARLYDQCA-RBBKRZOGSA-N 1 0 490.674 2.651 20 0 JFADRO COc1ccc([C@@H](CNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)[NH+]2CCCCC2)cc1 ZINC001290143837 1061879085 /nfs/dbraw/zinc/87/90/85/1061879085.db2.gz ZFMYVKJCBGUDIF-HSZRJFAPSA-N 1 0 453.587 2.908 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001294341157 1061887754 /nfs/dbraw/zinc/88/77/54/1061887754.db2.gz DASBYUBPSUNPQU-IRLDBZIGSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294341584 1061889347 /nfs/dbraw/zinc/88/93/47/1061889347.db2.gz ICDPHSMCXPDJID-PZJWPPBQSA-N 1 0 470.666 2.932 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290164562 1061904114 /nfs/dbraw/zinc/90/41/14/1061904114.db2.gz CVZILJKLXPHFQR-JOCHJYFZSA-N 1 0 476.691 2.672 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001290165270 1061907260 /nfs/dbraw/zinc/90/72/60/1061907260.db2.gz OBDSAUKGMHNLQE-OAQYLSRUSA-N 1 0 468.646 2.768 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001290165592 1061907931 /nfs/dbraw/zinc/90/79/31/1061907931.db2.gz SLRHLKOUSXRCQX-UHFFFAOYSA-N 1 0 488.702 2.960 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001290167362 1061911044 /nfs/dbraw/zinc/91/10/44/1061911044.db2.gz PXGBHQGBBIGRQN-NRFANRHFSA-N 1 0 488.702 2.769 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294349007 1061912793 /nfs/dbraw/zinc/91/27/93/1061912793.db2.gz MTTGHSUOIHWVMQ-LEWJYISDSA-N 1 0 487.693 2.654 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001290172850 1061916541 /nfs/dbraw/zinc/91/65/41/1061916541.db2.gz DEJQROXFQZJBIK-QFIPXVFZSA-N 1 0 488.702 2.914 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290173098 1061917941 /nfs/dbraw/zinc/91/79/41/1061917941.db2.gz JATYPVNEPZCQIX-QFIPXVFZSA-N 1 0 488.702 2.769 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294356891 1061923604 /nfs/dbraw/zinc/92/36/04/1061923604.db2.gz DVIVHLATHRHCRZ-UHFFFAOYSA-N 1 0 483.661 2.507 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1CCCNS(C)(=O)=O ZINC001287005603 1061924759 /nfs/dbraw/zinc/92/47/59/1061924759.db2.gz UZGWBTDADBXNCN-LJQANCHMSA-N 1 0 454.685 2.607 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001294357939 1061927934 /nfs/dbraw/zinc/92/79/34/1061927934.db2.gz RVTFTYUIKXAYAD-UHFFFAOYSA-N 1 0 487.693 2.655 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001294358318 1061928993 /nfs/dbraw/zinc/92/89/93/1061928993.db2.gz VVMSVOOKGNXOOS-UHFFFAOYSA-N 1 0 461.699 2.635 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cccc(Br)n1 ZINC001287007019 1061929263 /nfs/dbraw/zinc/92/92/63/1061929263.db2.gz HQZQDFUILXSOJX-UHFFFAOYSA-N 1 0 490.450 2.526 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001287007373 1061930441 /nfs/dbraw/zinc/93/04/41/1061930441.db2.gz UNBNPTXJUJIETR-NRFANRHFSA-N 1 0 474.675 2.569 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001294359352 1061931138 /nfs/dbraw/zinc/93/11/38/1061931138.db2.gz OVAJCBMDGKSXLQ-FQEVSTJZSA-N 1 0 462.683 2.968 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001294359693 1061931674 /nfs/dbraw/zinc/93/16/74/1061931674.db2.gz RRENVUHZVGMSPR-GCJKJVERSA-N 1 0 470.618 2.873 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287007506 1061931697 /nfs/dbraw/zinc/93/16/97/1061931697.db2.gz PHHNQUXACAZOSQ-NRFANRHFSA-N 1 0 472.609 2.524 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001294359690 1061931746 /nfs/dbraw/zinc/93/17/46/1061931746.db2.gz RRENVUHZVGMSPR-AVRDEDQJSA-N 1 0 470.618 2.873 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001287009047 1061936320 /nfs/dbraw/zinc/93/63/20/1061936320.db2.gz KSLHKLJAFBUDRD-UHFFFAOYSA-N 1 0 481.689 2.890 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)F)CC1 ZINC001290196831 1061937599 /nfs/dbraw/zinc/93/75/99/1061937599.db2.gz OBENDVJJDDIUOW-UHFFFAOYSA-N 1 0 462.545 2.774 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCCO[C@@H]1CCOC1 ZINC001287009752 1061939392 /nfs/dbraw/zinc/93/93/92/1061939392.db2.gz WFUGULMNMCYMMG-YADHBBJMSA-N 1 0 457.619 2.627 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccccc1C[NH+]1CCCCC1 ZINC001287010030 1061939985 /nfs/dbraw/zinc/93/99/85/1061939985.db2.gz FONLFYOKRLQNHX-UHFFFAOYSA-N 1 0 474.675 2.691 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001294372456 1061941639 /nfs/dbraw/zinc/94/16/39/1061941639.db2.gz JEEFALFAUQAVAN-LJQANCHMSA-N 1 0 470.618 2.895 20 0 JFADRO 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COc1ccc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC001290204955 1061948970 /nfs/dbraw/zinc/94/89/70/1061948970.db2.gz FHXTXZQGABTBEN-UHFFFAOYSA-N 1 0 458.540 2.573 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001290216850 1061961298 /nfs/dbraw/zinc/96/12/98/1061961298.db2.gz CHDXNDJLCKRCDY-FQEVSTJZSA-N 1 0 474.675 2.780 20 0 JFADRO Cc1cccnc1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001290217580 1061962488 /nfs/dbraw/zinc/96/24/88/1061962488.db2.gz JLQZQJNGODRPPA-UHFFFAOYSA-N 1 0 453.616 2.594 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001287022402 1061963036 /nfs/dbraw/zinc/96/30/36/1061963036.db2.gz WIWTVYDWVYCYTG-AREMUKBSSA-N 1 0 468.646 2.573 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001290217843 1061963261 /nfs/dbraw/zinc/96/32/61/1061963261.db2.gz MNPAYHBQTVEGJF-UHFFFAOYSA-N 1 0 497.669 2.890 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287025352 1061969009 /nfs/dbraw/zinc/96/90/09/1061969009.db2.gz JQPOAXUZKXYBPN-PXDATVDWSA-N 1 0 459.610 2.951 20 0 JFADRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 ZINC001294407822 1061973898 /nfs/dbraw/zinc/97/38/98/1061973898.db2.gz XLZVGSMMLWYXBM-UHFFFAOYSA-N 1 0 458.024 2.697 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001287027752 1061974370 /nfs/dbraw/zinc/97/43/70/1061974370.db2.gz CFZGIKOYTFNLJD-YKSBVNFPSA-N 1 0 481.707 2.509 20 0 JFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001294413982 1061979076 /nfs/dbraw/zinc/97/90/76/1061979076.db2.gz GIYGWWJBKKEDEX-XQBPLPMBSA-N 1 0 458.603 2.969 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001287030163 1061980022 /nfs/dbraw/zinc/98/00/22/1061980022.db2.gz KMTNWBHQNODSFV-UHFFFAOYSA-N 1 0 466.634 2.753 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC001294414882 1061980740 /nfs/dbraw/zinc/98/07/40/1061980740.db2.gz QHKDFHYMFKBTLI-WOJBJXKFSA-N 1 0 451.633 2.726 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001287030904 1061982260 /nfs/dbraw/zinc/98/22/60/1061982260.db2.gz VUWYDHKWEZGWHS-FQEVSTJZSA-N 1 0 482.673 2.964 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287031398 1061983957 /nfs/dbraw/zinc/98/39/57/1061983957.db2.gz FVFOLVHLLVVRKD-GOSISDBHSA-N 1 0 454.685 2.601 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001287032035 1061985669 /nfs/dbraw/zinc/98/56/69/1061985669.db2.gz XUJHBJDFYPAEMW-FCHUYYIVSA-N 1 0 468.646 2.573 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001287032036 1061985779 /nfs/dbraw/zinc/98/57/79/1061985779.db2.gz XUJHBJDFYPAEMW-FGZHOGPDSA-N 1 0 468.646 2.573 20 0 JFADRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(Oc2ccccc2I)CC1 ZINC001294427551 1061987181 /nfs/dbraw/zinc/98/71/81/1061987181.db2.gz LFIHFXDXWIOGLI-HNNXBMFYSA-N 1 0 458.340 2.629 20 0 JFADRO CC(C)[NH+]1CCC(NC(=O)c2cc(I)ccc2N2CCOCC2)CC1 ZINC001290259562 1061993020 /nfs/dbraw/zinc/99/30/20/1061993020.db2.gz LKZWOPMGSZJMSB-UHFFFAOYSA-N 1 0 457.356 2.730 20 0 JFADRO C[NH+]1CCN(CCCNC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)CC1 ZINC001290270764 1061999664 /nfs/dbraw/zinc/99/96/64/1061999664.db2.gz GBKJKKBWMFDMEJ-UHFFFAOYSA-N 1 0 457.415 2.936 20 0 JFADRO Cc1cnn([C@@H]2CCCN(c3nnc(CN4CCCC4=O)n3C[C@H](CC(C)C)[NH+](C)C)C2)c1 ZINC001290272575 1062002870 /nfs/dbraw/zinc/00/28/70/1062002870.db2.gz QUUOUPZROMJVLE-RTWAWAEBSA-N 1 0 456.639 2.723 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001287036951 1062003281 /nfs/dbraw/zinc/00/32/81/1062003281.db2.gz ZRENIIKLUABTDS-FQEVSTJZSA-N 1 0 466.696 2.745 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C1 ZINC001294456762 1062003890 /nfs/dbraw/zinc/00/38/90/1062003890.db2.gz JROBJMCMBGUZDU-MSOLQXFVSA-N 1 0 494.482 2.925 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456830 1062004812 /nfs/dbraw/zinc/00/48/12/1062004812.db2.gz KBFFDQCACRUCRV-ROUUACIJSA-N 1 0 466.627 2.552 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001290274063 1062005359 /nfs/dbraw/zinc/00/53/59/1062005359.db2.gz UBUQBYJGDDBYRI-HSZRJFAPSA-N 1 0 484.693 2.841 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001287039710 1062006361 /nfs/dbraw/zinc/00/63/61/1062006361.db2.gz MGXSFXZZIFKOMK-UHFFFAOYSA-N 1 0 484.649 2.788 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287039733 1062006462 /nfs/dbraw/zinc/00/64/62/1062006462.db2.gz NACCBZJYSADFOS-SFHVURJKSA-N 1 0 458.573 2.977 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCCCO)CC1 ZINC001287039497 1062006599 /nfs/dbraw/zinc/00/65/99/1062006599.db2.gz HQYVHEICLWYTEF-UHFFFAOYSA-N 1 0 483.455 2.993 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)N2CCOCC2)CC1 ZINC001287040073 1062006862 /nfs/dbraw/zinc/00/68/62/1062006862.db2.gz TUTGLKABQNWGDT-UHFFFAOYSA-N 1 0 472.609 2.891 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459629 1062007011 /nfs/dbraw/zinc/00/70/11/1062007011.db2.gz VEKDZZJMYPAXAN-ZWKOTPCHSA-N 1 0 456.570 2.902 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 ZINC001294459670 1062007147 /nfs/dbraw/zinc/00/71/47/1062007147.db2.gz VQTCFLYPKUITTJ-AXHZCLLHSA-N 1 0 461.582 2.877 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)C2CC2)CC1 ZINC001287041120 1062008035 /nfs/dbraw/zinc/00/80/35/1062008035.db2.gz FJNJGKPVQBAIHN-DEOSSOPVSA-N 1 0 474.675 2.989 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 ZINC001287040957 1062008234 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CCC[NH+]1CCC(Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001294657963 1062202691 /nfs/dbraw/zinc/20/26/91/1062202691.db2.gz PAXSQUVYZDTWLR-PMACEKPBSA-N 1 0 453.653 2.655 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290435052 1062202756 /nfs/dbraw/zinc/20/27/56/1062202756.db2.gz FRRYBAZMLVVNLY-LJQANCHMSA-N 1 0 461.680 2.665 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)C1 ZINC001294658019 1062203186 /nfs/dbraw/zinc/20/31/86/1062203186.db2.gz NOHKCOVHJHMEAA-HSALFYBXSA-N 1 0 478.638 2.544 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CCC(C)(C)O)cs1 ZINC001290435542 1062205100 /nfs/dbraw/zinc/20/51/00/1062205100.db2.gz TYZATZDLXLVIKV-RTBURBONSA-N 1 0 475.707 2.790 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658971 1062205894 /nfs/dbraw/zinc/20/58/94/1062205894.db2.gz SWIYESCORGQANO-GOSISDBHSA-N 1 0 452.669 2.576 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[NH+]2CCOCC2)C1 ZINC001287072674 1062208031 /nfs/dbraw/zinc/20/80/31/1062208031.db2.gz NPPZYNCKLFAVPR-WOJBJXKFSA-N 1 0 478.638 2.736 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001287072774 1062208607 /nfs/dbraw/zinc/20/86/07/1062208607.db2.gz RJAKONSOVXFMHL-MOPGFXCFSA-N 1 0 473.622 2.614 20 0 JFADRO Cc1nc(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCCC[NH+]2CCOCC2)cs1 ZINC001290440702 1062210564 /nfs/dbraw/zinc/21/05/64/1062210564.db2.gz GEWFKZKWLPXNCZ-KRWDZBQOSA-N 1 0 474.553 2.514 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001294661539 1062212396 /nfs/dbraw/zinc/21/23/96/1062212396.db2.gz QHGYRWBPTFDUQU-HXUWFJFHSA-N 1 0 475.037 2.549 20 0 JFADRO CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(c1nnc(C(C)(C)C)n1CCC[NH+]1CCC(O)CC1)C2 ZINC001287073975 1062216119 /nfs/dbraw/zinc/21/61/19/1062216119.db2.gz RJPUIXUVMNLLEA-XDHUDOTRSA-N 1 0 462.639 2.526 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OCC)nnc2N2CCS(=O)CC2)C1 ZINC001294666079 1062218825 /nfs/dbraw/zinc/21/88/25/1062218825.db2.gz ABCPAUFWTKAEAZ-LJQANCHMSA-N 1 0 461.632 2.556 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666342 1062219179 /nfs/dbraw/zinc/21/91/79/1062219179.db2.gz CPYPXXSZTBSUNO-NRFANRHFSA-N 1 0 454.619 2.989 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666343 1062219286 /nfs/dbraw/zinc/21/92/86/1062219286.db2.gz CPYPXXSZTBSUNO-OAQYLSRUSA-N 1 0 454.619 2.989 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C)c(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001294667292 1062221297 /nfs/dbraw/zinc/22/12/97/1062221297.db2.gz WSMCQKQEBXEZCC-NLFFAJNJSA-N 1 0 454.619 2.908 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001294667325 1062221588 /nfs/dbraw/zinc/22/15/88/1062221588.db2.gz XOSFFMBOSNCUTQ-FQEVSTJZSA-N 1 0 471.602 2.987 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001294667933 1062223515 /nfs/dbraw/zinc/22/35/15/1062223515.db2.gz CWLODQKQRRETAB-FQEVSTJZSA-N 1 0 466.696 2.603 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@]2(OCC)CCOC2)C1 ZINC001294668806 1062223849 /nfs/dbraw/zinc/22/38/49/1062223849.db2.gz DEJPMMDXGPPYHE-CPJSRVTESA-N 1 0 492.665 2.719 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001294669804 1062226173 /nfs/dbraw/zinc/22/61/73/1062226173.db2.gz MZCHOYYQIPFZPI-UHFFFAOYSA-N 1 0 453.635 2.647 20 0 JFADRO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)cs1 ZINC001290448754 1062226606 /nfs/dbraw/zinc/22/66/06/1062226606.db2.gz RCCZTEYGYBEHSS-GNZRSQJKSA-N 1 0 495.719 2.597 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C)C(=O)[C@@H]2C)C1 ZINC001294670303 1062227250 /nfs/dbraw/zinc/22/72/50/1062227250.db2.gz RGJSOQRNZGRDEW-SFTDATJTSA-N 1 0 454.619 2.873 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670376 1062228710 /nfs/dbraw/zinc/22/87/10/1062228710.db2.gz QZAGNPFDPHWZEG-WAOWUJCRSA-N 1 0 476.647 2.706 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001294671501 1062229859 /nfs/dbraw/zinc/22/98/59/1062229859.db2.gz XOBAXIILSXFGRG-XUVXKRRUSA-N 1 0 469.696 2.800 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCO2)CC1 ZINC001294677829 1062238848 /nfs/dbraw/zinc/23/88/48/1062238848.db2.gz PDFGCNRNADELCM-OAQYLSRUSA-N 1 0 490.674 2.685 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001294682934 1062241934 /nfs/dbraw/zinc/24/19/34/1062241934.db2.gz BVPRHXDOBPGMKN-LJQANCHMSA-N 1 0 477.654 2.797 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001294683221 1062242432 /nfs/dbraw/zinc/24/24/32/1062242432.db2.gz FVHJBKLVAWRXJX-KRWDZBQOSA-N 1 0 463.533 2.585 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001294684117 1062243971 /nfs/dbraw/zinc/24/39/71/1062243971.db2.gz SGVRWYHPSPKSDZ-QGZVFWFLSA-N 1 0 498.600 2.536 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001294688242 1062248623 /nfs/dbraw/zinc/24/86/23/1062248623.db2.gz UUAOVKUVLMWHKX-NRFANRHFSA-N 1 0 495.594 2.838 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294692960 1062252402 /nfs/dbraw/zinc/25/24/02/1062252402.db2.gz FFVGVMODISIPOI-SFHVURJKSA-N 1 0 461.408 2.908 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294695560 1062256711 /nfs/dbraw/zinc/25/67/11/1062256711.db2.gz OBTVGGMEHFAZCT-NRFANRHFSA-N 1 0 498.676 2.737 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294697596 1062259412 /nfs/dbraw/zinc/25/94/12/1062259412.db2.gz UVDQZOJAROBPNK-WMZOPIPTSA-N 1 0 492.466 2.978 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCNC(=O)C1 ZINC001294698388 1062260719 /nfs/dbraw/zinc/26/07/19/1062260719.db2.gz IHTPLDRSVBJEMH-KRWDZBQOSA-N 1 0 491.434 2.917 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N(C)CCN1CCOCC1 ZINC001294698211 1062260886 /nfs/dbraw/zinc/26/08/86/1062260886.db2.gz IWZDQIIWWBJFHR-OAQYLSRUSA-N 1 0 456.635 2.987 20 0 JFADRO Cc1nc(CN2CCN(c3nnc([C@H]4CCCOC4)n3CCC[N@@H+](C)C(C)C)CC2)cs1 ZINC001290470158 1062261443 /nfs/dbraw/zinc/26/14/43/1062261443.db2.gz XVIAMTZIPZJIFC-FQEVSTJZSA-N 1 0 461.680 2.990 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698841 1062262481 /nfs/dbraw/zinc/26/24/81/1062262481.db2.gz ZOTFLGZVUGYOLK-YLJYHZDGSA-N 1 0 466.627 2.928 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001294699548 1062264187 /nfs/dbraw/zinc/26/41/87/1062264187.db2.gz QGGIBXZBRMUGMZ-JOCHJYFZSA-N 1 0 464.618 2.939 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001294700215 1062264711 /nfs/dbraw/zinc/26/47/11/1062264711.db2.gz VOBJQBMTCGOVPQ-RBBKRZOGSA-N 1 0 489.690 2.712 20 0 JFADRO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)s1 ZINC001290475146 1062266657 /nfs/dbraw/zinc/26/66/57/1062266657.db2.gz WZJPQJLELGZZKN-QHCPKHFHSA-N 1 0 469.615 2.615 20 0 JFADRO Cc1ncc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC001290488535 1062274682 /nfs/dbraw/zinc/27/46/82/1062274682.db2.gz DKDWRYCXYNKEQF-QGZVFWFLSA-N 1 0 453.616 2.940 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001294708886 1062275506 /nfs/dbraw/zinc/27/55/06/1062275506.db2.gz SMQYPJUZHFMSKO-RBBKRZOGSA-N 1 0 496.722 2.687 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294708891 1062276243 /nfs/dbraw/zinc/27/62/43/1062276243.db2.gz SNDWKTKNRNPWNU-YADARESESA-N 1 0 459.639 2.556 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCOCC(F)F ZINC001287089600 1062277552 /nfs/dbraw/zinc/27/75/52/1062277552.db2.gz OTEBWQRMKIHXFL-NLWGTHIKSA-N 1 0 471.593 2.637 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCOCC(F)F ZINC001287089601 1062277698 /nfs/dbraw/zinc/27/76/98/1062277698.db2.gz OTEBWQRMKIHXFL-QWFCFKBJSA-N 1 0 471.593 2.637 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001294710107 1062278373 /nfs/dbraw/zinc/27/83/73/1062278373.db2.gz OAXHFYFGVKFDLO-SVFBPWRDSA-N 1 0 462.664 2.786 20 0 JFADRO CCCN1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[NH+]2CCCCC2)CC1=O ZINC001294711277 1062279502 /nfs/dbraw/zinc/27/95/02/1062279502.db2.gz IMJDQQYVSJUUFE-UHFFFAOYSA-N 1 0 495.672 2.899 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294712574 1062282622 /nfs/dbraw/zinc/28/26/22/1062282622.db2.gz UFSAEQRMWBIFBV-JOCHJYFZSA-N 1 0 453.635 2.833 20 0 JFADRO Cc1nccc(N2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001290496316 1062284964 /nfs/dbraw/zinc/28/49/64/1062284964.db2.gz JEBONDJMNAYOAV-MSOLQXFVSA-N 1 0 468.581 2.932 20 0 JFADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287091943 1062286409 /nfs/dbraw/zinc/28/64/09/1062286409.db2.gz PRICUMNJPBQOSW-KRWDZBQOSA-N 1 0 477.654 2.843 20 0 JFADRO CC(C)(C)OC(=O)NC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287091944 1062286537 /nfs/dbraw/zinc/28/65/37/1062286537.db2.gz PRICUMNJPBQOSW-QGZVFWFLSA-N 1 0 477.654 2.843 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001294718522 1062290115 /nfs/dbraw/zinc/29/01/15/1062290115.db2.gz AOEBAVPKDIURKY-GJZUVCINSA-N 1 0 490.693 2.888 20 0 JFADRO CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCCC1 ZINC001287093609 1062292324 /nfs/dbraw/zinc/29/23/24/1062292324.db2.gz LKMICTHWLUWTGF-IAGOWNOFSA-N 1 0 472.556 2.899 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001294719508 1062293210 /nfs/dbraw/zinc/29/32/10/1062293210.db2.gz GOWYXGYBHYMHFL-LVXARBLLSA-N 1 0 490.693 2.889 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001294719510 1062293248 /nfs/dbraw/zinc/29/32/48/1062293248.db2.gz GOWYXGYBHYMHFL-RLWLMLJZSA-N 1 0 490.693 2.889 20 0 JFADRO CC(C)(Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC001287094780 1062297175 /nfs/dbraw/zinc/29/71/75/1062297175.db2.gz QBEIDEWZBFUJLV-LJQANCHMSA-N 1 0 461.655 2.534 20 0 JFADRO Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001290503492 1062299423 /nfs/dbraw/zinc/29/94/23/1062299423.db2.gz IEXBHQWJUWJFEY-UHFFFAOYSA-N 1 0 456.639 2.856 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001287097960 1062303782 /nfs/dbraw/zinc/30/37/82/1062303782.db2.gz AEAMJYMOFVFLAZ-UHFFFAOYSA-N 1 0 470.437 2.841 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294724773 1062306395 /nfs/dbraw/zinc/30/63/95/1062306395.db2.gz VWENRCGSAFHHOM-QFIPXVFZSA-N 1 0 471.650 2.859 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1=O ZINC001294731548 1062312435 /nfs/dbraw/zinc/31/24/35/1062312435.db2.gz VRSCCWBGJRUUBM-BGYRXZFFSA-N 1 0 454.623 2.552 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1=O ZINC001294732081 1062312894 /nfs/dbraw/zinc/31/28/94/1062312894.db2.gz ALUISFKVNXFCKG-JOCHJYFZSA-N 1 0 460.667 2.989 20 0 JFADRO CCCN1CCCN(c2nnc(C3CCC3)n2Cc2ccccc2OCC[NH+](C)C)CC1=O ZINC001294734201 1062317495 /nfs/dbraw/zinc/31/74/95/1062317495.db2.gz SZFOPXKVICMJDM-UHFFFAOYSA-N 1 0 454.619 2.983 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)c1cccc(OC)c1 ZINC001290520865 1062320333 /nfs/dbraw/zinc/32/03/33/1062320333.db2.gz QBGKSXVDCSDUNT-GOSISDBHSA-N 1 0 457.955 2.948 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001294735507 1062321005 /nfs/dbraw/zinc/32/10/05/1062321005.db2.gz UZKLUJGAQYDQCY-WOJBJXKFSA-N 1 0 474.675 2.878 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001287109377 1062322567 /nfs/dbraw/zinc/32/25/67/1062322567.db2.gz KMVMWPBCHOCDBG-QFIPXVFZSA-N 1 0 470.666 2.884 20 0 JFADRO CCCN1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1=O ZINC001294740193 1062323348 /nfs/dbraw/zinc/32/33/48/1062323348.db2.gz MLXZFOJKKSEVAM-VWLOTQADSA-N 1 0 486.686 2.786 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287111062 1062326172 /nfs/dbraw/zinc/32/61/72/1062326172.db2.gz ZCNRUOGPBFLVOR-QFIPXVFZSA-N 1 0 470.618 2.826 20 0 JFADRO CCCN1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C2CC2)[NH+](C)C)CC1=O ZINC001294741123 1062326689 /nfs/dbraw/zinc/32/66/89/1062326689.db2.gz VRNVQOIKKFKEGR-JOCHJYFZSA-N 1 0 454.619 2.954 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001287112458 1062329299 /nfs/dbraw/zinc/32/92/99/1062329299.db2.gz QITBHPPODGMALA-HSZRJFAPSA-N 1 0 482.673 2.885 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294743293 1062331379 /nfs/dbraw/zinc/33/13/79/1062331379.db2.gz MSLQRWKVWLSAJW-FGZHOGPDSA-N 1 0 476.666 2.715 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001287113041 1062331959 /nfs/dbraw/zinc/33/19/59/1062331959.db2.gz BAWDJQFDIJZKFF-LJQANCHMSA-N 1 0 490.649 2.911 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(Br)C1 ZINC001294744021 1062334752 /nfs/dbraw/zinc/33/47/52/1062334752.db2.gz JWCGHXMCAYWAAQ-CVEARBPZSA-N 1 0 489.484 2.642 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294744452 1062335915 /nfs/dbraw/zinc/33/59/15/1062335915.db2.gz UMUJAGLOGVPZGE-NRFANRHFSA-N 1 0 461.655 2.518 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290537521 1062337780 /nfs/dbraw/zinc/33/77/80/1062337780.db2.gz DHOVIOHCDDNNDO-UHFFFAOYSA-N 1 0 456.639 2.623 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294749250 1062340087 /nfs/dbraw/zinc/34/00/87/1062340087.db2.gz HXUPFBYMOHDBEZ-NRFANRHFSA-N 1 0 474.675 2.988 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001294752746 1062341485 /nfs/dbraw/zinc/34/14/85/1062341485.db2.gz AKIIVUZHGGOZLF-KRWDZBQOSA-N 1 0 453.513 2.901 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001287115540 1062342255 /nfs/dbraw/zinc/34/22/55/1062342255.db2.gz CLZNAQCNSWEPSM-UHFFFAOYSA-N 1 0 491.640 2.557 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCN1CCOCC1 ZINC001294754127 1062343598 /nfs/dbraw/zinc/34/35/98/1062343598.db2.gz BPNMSHJHPQYWGM-IBGZPJMESA-N 1 0 462.589 2.790 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001294754731 1062344371 /nfs/dbraw/zinc/34/43/71/1062344371.db2.gz IETMLAIORKXADM-IRXDYDNUSA-N 1 0 467.586 2.645 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC001294755569 1062345299 /nfs/dbraw/zinc/34/52/99/1062345299.db2.gz PDULJOSYMHFJNL-MHORFTMASA-N 1 0 459.607 2.782 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294756022 1062346164 /nfs/dbraw/zinc/34/61/64/1062346164.db2.gz WHGFFHFDZKDWKF-UUOWRZLLSA-N 1 0 459.639 2.556 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001287116577 1062347163 /nfs/dbraw/zinc/34/71/63/1062347163.db2.gz UZDYRHFQYXKRPU-VXKWHMMOSA-N 1 0 499.635 2.697 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294757437 1062347906 /nfs/dbraw/zinc/34/79/06/1062347906.db2.gz LRIZJXLVSWLVEJ-RBUKOAKNSA-N 1 0 451.662 2.818 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294757888 1062348221 /nfs/dbraw/zinc/34/82/21/1062348221.db2.gz QHJXRBMUKGBKDF-PMACEKPBSA-N 1 0 462.639 2.835 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001290547438 1062348184 /nfs/dbraw/zinc/34/81/84/1062348184.db2.gz MILKLINXUHRVLC-HTAPYJJXSA-N 1 0 464.618 2.736 20 0 JFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(I)ccc3F)cn2)CC1 ZINC001290547614 1062348644 /nfs/dbraw/zinc/34/86/44/1062348644.db2.gz CEASMPXGCLKKFO-UHFFFAOYSA-N 1 0 454.287 2.507 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294758039 1062348734 /nfs/dbraw/zinc/34/87/34/1062348734.db2.gz RJVJSXSEUMLUSV-YADHBBJMSA-N 1 0 453.635 2.879 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C(N)=O)c1 ZINC001294758268 1062348782 /nfs/dbraw/zinc/34/87/82/1062348782.db2.gz UUTJIVOTEZLVQC-QFIPXVFZSA-N 1 0 464.618 2.749 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[NH+]2CCCC2)c2ccccc2c1=O ZINC001294763185 1062351309 /nfs/dbraw/zinc/35/13/09/1062351309.db2.gz CEAFZKHMYIRNOR-UHFFFAOYSA-N 1 0 494.644 2.512 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCS(C)(=O)=O ZINC001294763572 1062352247 /nfs/dbraw/zinc/35/22/47/1062352247.db2.gz FNEKINFDZRAIGN-IPMKNSEASA-N 1 0 455.669 2.552 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294765885 1062356964 /nfs/dbraw/zinc/35/69/64/1062356964.db2.gz ZAZLFBHSCGRAQG-MTQWCTHYSA-N 1 0 467.680 2.694 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001294765886 1062357112 /nfs/dbraw/zinc/35/71/12/1062357112.db2.gz ZAZLFBHSCGRAQG-VNTMZGSJSA-N 1 0 467.680 2.694 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC[C@H](OC)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294766602 1062359632 /nfs/dbraw/zinc/35/96/32/1062359632.db2.gz DBZFJQVSPLRFFM-ROUUACIJSA-N 1 0 453.591 2.630 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001290562255 1062363206 /nfs/dbraw/zinc/36/32/06/1062363206.db2.gz CYTUBKACHAILCH-HXUWFJFHSA-N 1 0 480.661 2.522 20 0 JFADRO Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC001290562327 1062363348 /nfs/dbraw/zinc/36/33/48/1062363348.db2.gz DQVNCTIZLVRXKD-UHFFFAOYSA-N 1 0 464.618 2.607 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001287121127 1062366782 /nfs/dbraw/zinc/36/67/82/1062366782.db2.gz WEGWTOTULHCPNS-JOCHJYFZSA-N 1 0 480.592 2.918 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001290565961 1062368436 /nfs/dbraw/zinc/36/84/36/1062368436.db2.gz WZBQXANLKSIPIK-FQEVSTJZSA-N 1 0 486.709 2.508 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001287121889 1062369367 /nfs/dbraw/zinc/36/93/67/1062369367.db2.gz JLMFTQYEEBTCKA-NHCUHLMSSA-N 1 0 489.709 2.507 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001287121914 1062370158 /nfs/dbraw/zinc/37/01/58/1062370158.db2.gz KDSDXUPYPKVCCY-JTHBVZDNSA-N 1 0 495.672 2.806 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001287122780 1062374633 /nfs/dbraw/zinc/37/46/33/1062374633.db2.gz CGKFMALMFJYGOG-NRFANRHFSA-N 1 0 489.709 2.550 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001287122831 1062375049 /nfs/dbraw/zinc/37/50/49/1062375049.db2.gz XOYHJWBYOQURDN-SFTDATJTSA-N 1 0 462.683 2.801 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001294777919 1062378224 /nfs/dbraw/zinc/37/82/24/1062378224.db2.gz RCDWKSOSMQULPY-UHFFFAOYSA-N 1 0 461.614 2.982 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001287124858 1062384158 /nfs/dbraw/zinc/38/41/58/1062384158.db2.gz WDNUZLATQPEOEZ-IEBWSBKVSA-N 1 0 460.648 2.887 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001287125063 1062385188 /nfs/dbraw/zinc/38/51/88/1062385188.db2.gz ZLFNJXRKMRTTNT-HXUWFJFHSA-N 1 0 472.609 2.794 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001294780910 1062385319 /nfs/dbraw/zinc/38/53/19/1062385319.db2.gz OSSUQGSZKDMSNK-NFBKMPQASA-N 1 0 495.672 2.606 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294790549 1062401347 /nfs/dbraw/zinc/40/13/47/1062401347.db2.gz RCULLYDGRPQITP-LEWJYISDSA-N 1 0 472.634 2.946 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294790587 1062403273 /nfs/dbraw/zinc/40/32/73/1062403273.db2.gz IUTBHCFLPXUJKF-NRFANRHFSA-N 1 0 454.619 2.799 20 0 JFADRO CC(C)C(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001287131549 1062424564 /nfs/dbraw/zinc/42/45/64/1062424564.db2.gz VFRIDZNNMHLWTJ-UHFFFAOYSA-N 1 0 451.619 2.974 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001294799480 1062440639 /nfs/dbraw/zinc/44/06/39/1062440639.db2.gz GEXWJMPUIPDZGJ-YPAWHYETSA-N 1 0 454.619 2.828 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001294802805 1062448429 /nfs/dbraw/zinc/44/84/29/1062448429.db2.gz IGBDQNYRUAGONS-GOSISDBHSA-N 1 0 461.680 2.964 20 0 JFADRO CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001287134916 1062454463 /nfs/dbraw/zinc/45/44/63/1062454463.db2.gz XNYKCOOTWZSOQC-UHFFFAOYSA-N 1 0 495.672 2.635 20 0 JFADRO Cc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC001290613139 1062460861 /nfs/dbraw/zinc/46/08/61/1062460861.db2.gz JVKUCUGKOBOLCX-UHFFFAOYSA-N 1 0 454.596 2.792 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001290617690 1062471502 /nfs/dbraw/zinc/47/15/02/1062471502.db2.gz PCFDHFMFKYSSCX-PXNSSMCTSA-N 1 0 486.665 2.973 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290624606 1062490357 /nfs/dbraw/zinc/49/03/57/1062490357.db2.gz CVECDNFYLQFZOI-XZOQPEGZSA-N 1 0 484.693 2.955 20 0 JFADRO CC(C)C(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C)[C@@H]1C ZINC001287139489 1062490338 /nfs/dbraw/zinc/49/03/38/1062490338.db2.gz NYZGZXVJSFVVIL-VXKWHMMOSA-N 1 0 467.662 2.650 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001294814539 1062492422 /nfs/dbraw/zinc/49/24/22/1062492422.db2.gz YEFNYHQKHFVUCF-SIKLNZKXSA-N 1 0 470.666 2.614 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC001290625160 1062493337 /nfs/dbraw/zinc/49/33/37/1062493337.db2.gz IFHANPIKAMYVFW-CJAUYULYSA-N 1 0 470.666 2.742 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC001294815225 1062494353 /nfs/dbraw/zinc/49/43/53/1062494353.db2.gz JPMCQMHPCKVUQF-QHCPKHFHSA-N 1 0 454.619 2.620 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)n1 ZINC001290625875 1062497336 /nfs/dbraw/zinc/49/73/36/1062497336.db2.gz QPTSNVDZUSDOGT-QFIPXVFZSA-N 1 0 491.706 2.521 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001294822099 1062505348 /nfs/dbraw/zinc/50/53/48/1062505348.db2.gz JIJJRWIUMPWSOK-UHFFFAOYSA-N 1 0 468.646 2.843 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290632096 1062508903 /nfs/dbraw/zinc/50/89/03/1062508903.db2.gz VJTGJPDWUJYXKW-NRFANRHFSA-N 1 0 470.666 2.565 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC[N@H+](C)C(C)C)CC1 ZINC001294827729 1062513483 /nfs/dbraw/zinc/51/34/83/1062513483.db2.gz FMAWOMZAFIGJDX-JOCHJYFZSA-N 1 0 470.618 2.873 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001290635991 1062517188 /nfs/dbraw/zinc/51/71/88/1062517188.db2.gz RAPHLSWITDLXAV-KNQAVFIVSA-N 1 0 470.666 2.613 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001287150194 1062519707 /nfs/dbraw/zinc/51/97/07/1062519707.db2.gz NDPPBZQRTCRSPW-GJZUVCINSA-N 1 0 470.662 2.838 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001294832549 1062520240 /nfs/dbraw/zinc/52/02/40/1062520240.db2.gz MCLRKEDDNRXFII-SFTDATJTSA-N 1 0 497.688 2.894 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001294832546 1062520281 /nfs/dbraw/zinc/52/02/81/1062520281.db2.gz MCLRKEDDNRXFII-NHCUHLMSSA-N 1 0 497.688 2.894 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001290640122 1062526114 /nfs/dbraw/zinc/52/61/14/1062526114.db2.gz IRHBLWQFPAPCEN-IBGZPJMESA-N 1 0 470.588 2.943 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001287153087 1062529480 /nfs/dbraw/zinc/52/94/80/1062529480.db2.gz MBSWJROGYCZVAU-IQGLISFBSA-N 1 0 472.609 2.528 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCc2nc(C)no2)n1 ZINC001290641622 1062530496 /nfs/dbraw/zinc/53/04/96/1062530496.db2.gz YPTGXUXKKGYGQN-UHFFFAOYSA-N 1 0 455.611 2.775 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC001290642099 1062532121 /nfs/dbraw/zinc/53/21/21/1062532121.db2.gz VNDJWQQVRRFWCR-SIKLNZKXSA-N 1 0 470.666 2.565 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC(=O)Nc2ccc(F)cc2)n1 ZINC001290642396 1062532507 /nfs/dbraw/zinc/53/25/07/1062532507.db2.gz ZFXBNNWBIQYTHE-UHFFFAOYSA-N 1 0 468.581 2.838 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCCOC[C@H]2CCOC2)n1 ZINC001290642263 1062532631 /nfs/dbraw/zinc/53/26/31/1062532631.db2.gz YDAMBBDKYGUFDS-OAQYLSRUSA-N 1 0 459.639 2.503 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H](C)C[NH+]2CCCCC2)n1 ZINC001290645672 1062535957 /nfs/dbraw/zinc/53/59/57/1062535957.db2.gz KVWSOPGFACYBIB-NFBKMPQASA-N 1 0 484.693 2.955 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287155259 1062537891 /nfs/dbraw/zinc/53/78/91/1062537891.db2.gz GMKILFVQXHUUCD-JOCHJYFZSA-N 1 0 468.646 2.997 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001287155310 1062538536 /nfs/dbraw/zinc/53/85/36/1062538536.db2.gz CFYMVEMNLMTXSL-WMZHIEFXSA-N 1 0 461.010 2.657 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCOCC1)[NH+]1CCOCC1 ZINC001287155647 1062540230 /nfs/dbraw/zinc/54/02/30/1062540230.db2.gz DTHFEZKSMAHEOD-LJQANCHMSA-N 1 0 451.518 2.740 20 0 JFADRO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1)NC(=O)OC(C)(C)C ZINC001287155909 1062541840 /nfs/dbraw/zinc/54/18/40/1062541840.db2.gz GDIOWISYCVYVOB-LJQANCHMSA-N 1 0 491.681 2.984 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156909 1062545383 /nfs/dbraw/zinc/54/53/83/1062545383.db2.gz RLXYXGLIIIBQFO-IRLDBZIGSA-N 1 0 489.690 2.568 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156922 1062545816 /nfs/dbraw/zinc/54/58/16/1062545816.db2.gz RVEYFBMEJANXBH-CTNGQTDRSA-N 1 0 460.648 2.864 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156923 1062545857 /nfs/dbraw/zinc/54/58/57/1062545857.db2.gz RVEYFBMEJANXBH-FPOVZHCZSA-N 1 0 460.648 2.864 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001287157369 1062547401 /nfs/dbraw/zinc/54/74/01/1062547401.db2.gz WJSRUNIEIQMWML-ICSRJNTNSA-N 1 0 483.583 2.713 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001290650135 1062549189 /nfs/dbraw/zinc/54/91/89/1062549189.db2.gz XMSRIVPJCZAKQN-YADHBBJMSA-N 1 0 473.666 2.628 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001290650242 1062549735 /nfs/dbraw/zinc/54/97/35/1062549735.db2.gz ZHANGYNKZFVYLI-SIKLNZKXSA-N 1 0 459.639 2.502 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287158259 1062550457 /nfs/dbraw/zinc/55/04/57/1062550457.db2.gz RQMONNSMFKHKJC-QFBILLFUSA-N 1 0 492.466 2.868 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001290653500 1062551791 /nfs/dbraw/zinc/55/17/91/1062551791.db2.gz RHTVRLLIOGYGNZ-VQIMIIECSA-N 1 0 482.599 2.800 20 0 JFADRO CCCNC(=O)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001294852374 1062554349 /nfs/dbraw/zinc/55/43/49/1062554349.db2.gz XOKFVQXEHYHEQU-UHFFFAOYSA-N 1 0 494.644 2.683 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1)[NH+]1CCCC1 ZINC001287159327 1062555508 /nfs/dbraw/zinc/55/55/08/1062555508.db2.gz YSNZMHRNFRKRON-QFIPXVFZSA-N 1 0 483.642 2.895 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cnccn4)n3CCC[NH+](C(C)C)C(C)C)CCO2)n1 ZINC001290660316 1062566121 /nfs/dbraw/zinc/56/61/21/1062566121.db2.gz LSSWQTZQYJCPHM-JOCHJYFZSA-N 1 0 481.649 2.963 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)CCO2)n1 ZINC001290660734 1062567479 /nfs/dbraw/zinc/56/74/79/1062567479.db2.gz OCMHRCDWTYHGIY-FGZHOGPDSA-N 1 0 473.666 2.531 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(CCc4ccccc4)n3C[C@@H](C)[NH+](C)C)CCO2)n1 ZINC001290661095 1062568875 /nfs/dbraw/zinc/56/88/75/1062568875.db2.gz SZBQQYANBBGYMZ-FYYLOGMGSA-N 1 0 451.619 2.732 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001290661391 1062570510 /nfs/dbraw/zinc/57/05/10/1062570510.db2.gz WWDBDCRFIHGKCI-PKOBYXMFSA-N 1 0 458.998 2.662 20 0 JFADRO CCCNC(=O)CCn1c(Cc2ccsc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001294863049 1062570755 /nfs/dbraw/zinc/57/07/55/1062570755.db2.gz INAMRNWVNUDVSP-GOSISDBHSA-N 1 0 460.648 2.536 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287164622 1062574559 /nfs/dbraw/zinc/57/45/59/1062574559.db2.gz LIDUBWHJQBHILU-VAMGGRTRSA-N 1 0 453.653 2.654 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001287164828 1062575085 /nfs/dbraw/zinc/57/50/85/1062575085.db2.gz YLGROJNGZRDELA-MJGOQNOKSA-N 1 0 469.556 2.703 20 0 JFADRO CC(C)c1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)n1 ZINC001287167558 1062580274 /nfs/dbraw/zinc/58/02/74/1062580274.db2.gz UBVLNPQMNRFPDZ-MRXNPFEDSA-N 1 0 481.692 2.581 20 0 JFADRO CCCNC(=O)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294873633 1062583461 /nfs/dbraw/zinc/58/34/61/1062583461.db2.gz YHOSLDKCGKQNDK-OALUTQOASA-N 1 0 477.654 2.797 20 0 JFADRO CC(C)c1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cs1 ZINC001287170643 1062586506 /nfs/dbraw/zinc/58/65/06/1062586506.db2.gz SEIIXPYCYQVNBO-INIZCTEOSA-N 1 0 483.708 2.631 20 0 JFADRO CC(C)c1nc([C@@H]2CN(c3nnc(C(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CCO2)no1 ZINC001287171088 1062588070 /nfs/dbraw/zinc/58/80/70/1062588070.db2.gz WOTHOVOJUXLWAK-SFHVURJKSA-N 1 0 461.611 2.721 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+](C)C2CCCC2)cn1 ZINC001287173178 1062594996 /nfs/dbraw/zinc/59/49/96/1062594996.db2.gz HULYDZNAXIMWPQ-LJQANCHMSA-N 1 0 475.663 2.604 20 0 JFADRO CCCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CC[NH+](C(C)C)CC1 ZINC001294882683 1062596093 /nfs/dbraw/zinc/59/60/93/1062596093.db2.gz FGUOICMFDCUCIA-UHFFFAOYSA-N 1 0 467.387 2.903 20 0 JFADRO CCCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001294883641 1062597237 /nfs/dbraw/zinc/59/72/37/1062597237.db2.gz LFMRIMKMJUZNQW-LJQANCHMSA-N 1 0 486.617 2.562 20 0 JFADRO CCCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001294885032 1062599970 /nfs/dbraw/zinc/59/99/70/1062599970.db2.gz YWPHIMUNLZLXEU-GOSISDBHSA-N 1 0 461.408 2.908 20 0 JFADRO CC(C)c1nnc([C@@H]2CN(c3nnc(Cc4ccccn4)n3CC(C)(C)C[NH+](C)C)CCO2)o1 ZINC001287176278 1062600060 /nfs/dbraw/zinc/60/00/60/1062600060.db2.gz QXPUATNUJSMQSE-IBGZPJMESA-N 1 0 468.606 2.936 20 0 JFADRO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001287179397 1062603408 /nfs/dbraw/zinc/60/34/08/1062603408.db2.gz QTBSUSRQFDWDEF-JOCHJYFZSA-N 1 0 474.675 2.926 20 0 JFADRO CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCN(C)CC(F)(F)F ZINC001287179321 1062603428 /nfs/dbraw/zinc/60/34/28/1062603428.db2.gz PDYIJUZURZMACE-UHFFFAOYSA-N 1 0 456.561 2.693 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001294888586 1062610770 /nfs/dbraw/zinc/61/07/70/1062610770.db2.gz OCWWABRZTKLSTH-LJQANCHMSA-N 1 0 470.618 2.801 20 0 JFADRO Cc1nnc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCC([NH2+]C(C)C)CC2)s1 ZINC001290693055 1062616807 /nfs/dbraw/zinc/61/68/07/1062616807.db2.gz WCVDDJJHTIDYRU-UHFFFAOYSA-N 1 0 474.660 2.639 20 0 JFADRO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC001290693244 1062618275 /nfs/dbraw/zinc/61/82/75/1062618275.db2.gz YAVHJTOWADEFAP-SJLPKXTDSA-N 1 0 460.652 2.715 20 0 JFADRO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001287196980 1062629540 /nfs/dbraw/zinc/62/95/40/1062629540.db2.gz PIUWSPDRIZRMJJ-PMACEKPBSA-N 1 0 471.581 2.610 20 0 JFADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001287200877 1062640537 /nfs/dbraw/zinc/64/05/37/1062640537.db2.gz JAWJOBICAGYCSU-UHFFFAOYSA-N 1 0 453.635 2.544 20 0 JFADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001287201312 1062641508 /nfs/dbraw/zinc/64/15/08/1062641508.db2.gz DMTVFOCZOWUFRL-QHCPKHFHSA-N 1 0 462.683 2.840 20 0 JFADRO CCCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001294904854 1062642903 /nfs/dbraw/zinc/64/29/03/1062642903.db2.gz UMZOOUBKWUKCFQ-OAQYLSRUSA-N 1 0 456.591 2.627 20 0 JFADRO CCCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](CC)C1 ZINC001294910105 1062655083 /nfs/dbraw/zinc/65/50/83/1062655083.db2.gz FLHQLZMUNAHUJL-JOCHJYFZSA-N 1 0 467.662 2.795 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001287209517 1062658230 /nfs/dbraw/zinc/65/82/30/1062658230.db2.gz WCFOITINODCNKI-IBGZPJMESA-N 1 0 454.685 2.774 20 0 JFADRO Cc1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCC(=O)Nc1ccccc1 ZINC001290737476 1062658848 /nfs/dbraw/zinc/65/88/48/1062658848.db2.gz LJXUDLGZNGFLAK-WMZHIEFXSA-N 1 0 450.591 2.868 20 0 JFADRO CCCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001294910740 1062659343 /nfs/dbraw/zinc/65/93/43/1062659343.db2.gz QVZNJNILUHHKBU-UHFFFAOYSA-N 1 0 470.666 2.758 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001287212748 1062668135 /nfs/dbraw/zinc/66/81/35/1062668135.db2.gz SJBHTZULZOXYIM-QFIPXVFZSA-N 1 0 474.675 2.811 20 0 JFADRO CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001294912820 1062668169 /nfs/dbraw/zinc/66/81/69/1062668169.db2.gz MWMWMFVYPJFVQO-LJQANCHMSA-N 1 0 491.036 2.585 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001287213212 1062670451 /nfs/dbraw/zinc/67/04/51/1062670451.db2.gz ZASLVQKYJAMPJS-OALUTQOASA-N 1 0 457.627 2.588 20 0 JFADRO CCCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001294914865 1062672587 /nfs/dbraw/zinc/67/25/87/1062672587.db2.gz XPVXFAUSFAMZGN-FUHWJXTLSA-N 1 0 491.434 2.819 20 0 JFADRO CC(C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001287213738 1062672781 /nfs/dbraw/zinc/67/27/81/1062672781.db2.gz JRDGFLHNCOBESR-UHFFFAOYSA-N 1 0 456.639 2.686 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290759622 1062673012 /nfs/dbraw/zinc/67/30/12/1062673012.db2.gz JMHQJKICDFVOEJ-PMACEKPBSA-N 1 0 460.667 2.949 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287214372 1062678482 /nfs/dbraw/zinc/67/84/82/1062678482.db2.gz LWFRZSDJWIRTSX-UHFFFAOYSA-N 1 0 460.648 2.661 20 0 JFADRO Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001290763041 1062678443 /nfs/dbraw/zinc/67/84/43/1062678443.db2.gz OXMMCIVHYODWPY-LJQANCHMSA-N 1 0 452.525 2.980 20 0 JFADRO Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001290763007 1062678504 /nfs/dbraw/zinc/67/85/04/1062678504.db2.gz OEKRRGCULJOOBN-SFHVURJKSA-N 1 0 458.567 2.735 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001287214668 1062680695 /nfs/dbraw/zinc/68/06/95/1062680695.db2.gz PBHFMDTVWFQFDP-IRLDBZIGSA-N 1 0 453.635 2.669 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001287215488 1062685112 /nfs/dbraw/zinc/68/51/12/1062685112.db2.gz FSNFQTHSBYLGDU-GOSISDBHSA-N 1 0 450.628 2.958 20 0 JFADRO CCCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001294923415 1062691375 /nfs/dbraw/zinc/69/13/75/1062691375.db2.gz IWEUHOUHCSONAY-NRFANRHFSA-N 1 0 486.661 2.994 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001294924646 1062694352 /nfs/dbraw/zinc/69/43/52/1062694352.db2.gz KBXPDIBVYUGQFQ-QZTJIDSGSA-N 1 0 470.618 2.892 20 0 JFADRO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290792485 1062697631 /nfs/dbraw/zinc/69/76/31/1062697631.db2.gz JBYMQYVWUUFQID-GOSISDBHSA-N 1 0 456.488 2.923 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001287218778 1062700591 /nfs/dbraw/zinc/70/05/91/1062700591.db2.gz AYABRYFQRWIDDG-IBGZPJMESA-N 1 0 459.664 2.510 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCCNC(C)=O)cc1OC ZINC001294928122 1062702339 /nfs/dbraw/zinc/70/23/39/1062702339.db2.gz XDHQUBPRDHFTKN-WIYYLYMNSA-N 1 0 470.618 2.942 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCC[NH+]1CCCCC1 ZINC001287220394 1062703852 /nfs/dbraw/zinc/70/38/52/1062703852.db2.gz VNSZVTSSTKAWBX-UHFFFAOYSA-N 1 0 459.683 2.802 20 0 JFADRO CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCNc1ccccn1 ZINC001287223573 1062710124 /nfs/dbraw/zinc/71/01/24/1062710124.db2.gz NLORSWGJJBUDAT-QFIPXVFZSA-N 1 0 470.666 2.530 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001287223730 1062710788 /nfs/dbraw/zinc/71/07/88/1062710788.db2.gz OMLISRQANNYGLL-WOJBJXKFSA-N 1 0 468.650 2.935 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+]2CCCCC2)cc1OC ZINC001294934178 1062711088 /nfs/dbraw/zinc/71/10/88/1062711088.db2.gz HCRVTJHRRVSONU-HXUWFJFHSA-N 1 0 470.618 2.930 20 0 JFADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819213 1062714656 /nfs/dbraw/zinc/71/46/56/1062714656.db2.gz CWUZEUNSESDFMM-XXBNENTESA-N 1 0 456.537 2.813 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCCC2)cc1OC ZINC001294938507 1062717612 /nfs/dbraw/zinc/71/76/12/1062717612.db2.gz GOSYPLLSIONERU-IBGZPJMESA-N 1 0 456.591 2.540 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC001294939419 1062719309 /nfs/dbraw/zinc/71/93/09/1062719309.db2.gz RNMROPKFKYJEHD-IBGZPJMESA-N 1 0 470.618 2.753 20 0 JFADRO Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001290827535 1062720287 /nfs/dbraw/zinc/72/02/87/1062720287.db2.gz FUKMIVVHKZUJNT-HSZRJFAPSA-N 1 0 467.662 2.507 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290828224 1062722358 /nfs/dbraw/zinc/72/23/58/1062722358.db2.gz JNSBVQDUTCEYPD-GMAHTHKFSA-N 1 0 454.619 2.590 20 0 JFADRO Cc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290828222 1062722471 /nfs/dbraw/zinc/72/24/71/1062722471.db2.gz JNSBVQDUTCEYPD-GGAORHGYSA-N 1 0 454.619 2.590 20 0 JFADRO Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290829095 1062723022 /nfs/dbraw/zinc/72/30/22/1062723022.db2.gz QVEYQHBACGURCX-DNQXCXABSA-N 1 0 468.646 2.866 20 0 JFADRO Cc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001290832005 1062724113 /nfs/dbraw/zinc/72/41/13/1062724113.db2.gz JWAZXLXGMTVKSY-XZOQPEGZSA-N 1 0 468.646 2.723 20 0 JFADRO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001290833021 1062725489 /nfs/dbraw/zinc/72/54/89/1062725489.db2.gz IAWHBDRIBOJXIO-VQTJNVASSA-N 1 0 453.509 2.749 20 0 JFADRO Cc1nnc(N2CCCN(C(=O)Cc3cccc(F)c3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001290841993 1062731257 /nfs/dbraw/zinc/73/12/57/1062731257.db2.gz IRBUYWWDWDNYOF-HXUWFJFHSA-N 1 0 472.609 2.508 20 0 JFADRO CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001287246679 1062732441 /nfs/dbraw/zinc/73/24/41/1062732441.db2.gz OBMWCZLIHLFNFN-PMACEKPBSA-N 1 0 482.695 2.500 20 0 JFADRO CC(C)[C@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001287246684 1062732552 /nfs/dbraw/zinc/73/25/52/1062732552.db2.gz OBMWCZLIHLFNFN-WOJBJXKFSA-N 1 0 482.695 2.500 20 0 JFADRO Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1cccc(COC(C)(C)C)c1 ZINC001290852208 1062736922 /nfs/dbraw/zinc/73/69/22/1062736922.db2.gz JERZRTGZMTWJAP-UHFFFAOYSA-N 1 0 454.619 2.694 20 0 JFADRO CC(C)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001287265816 1062742308 /nfs/dbraw/zinc/74/23/08/1062742308.db2.gz WIOGBMVMWAYRIX-OAQYLSRUSA-N 1 0 496.722 2.605 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001290867646 1062750276 /nfs/dbraw/zinc/75/02/76/1062750276.db2.gz QGRCQTVMIKAUIN-DNVJHFABSA-N 1 0 473.710 2.725 20 0 JFADRO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cn1 ZINC001294969384 1062751597 /nfs/dbraw/zinc/75/15/97/1062751597.db2.gz UYZBXZXRPSCTDE-MOPGFXCFSA-N 1 0 455.607 2.552 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001290869117 1062752035 /nfs/dbraw/zinc/75/20/35/1062752035.db2.gz CLYUWCOWGDYGOS-XERBYJISSA-N 1 0 473.710 2.916 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001290869116 1062752237 /nfs/dbraw/zinc/75/22/37/1062752237.db2.gz CLYUWCOWGDYGOS-MHIUNMELSA-N 1 0 473.710 2.916 20 0 JFADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[N@H+](CC)[C@H](C)C2)cn1 ZINC001294969644 1062752268 /nfs/dbraw/zinc/75/22/68/1062752268.db2.gz XVCGFDPDAUQGSN-HXUWFJFHSA-N 1 0 452.607 2.902 20 0 JFADRO CCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cn1 ZINC001294969643 1062752412 /nfs/dbraw/zinc/75/24/12/1062752412.db2.gz XVCGFDPDAUQGSN-FQEVSTJZSA-N 1 0 452.607 2.902 20 0 JFADRO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001294973378 1062756999 /nfs/dbraw/zinc/75/69/99/1062756999.db2.gz GBLRUILVKFRXAJ-UHFFFAOYSA-N 1 0 457.596 2.992 20 0 JFADRO Cc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001290871782 1062757463 /nfs/dbraw/zinc/75/74/63/1062757463.db2.gz JICGNZHVDAKOLO-GHTZIAJQSA-N 1 0 458.607 2.698 20 0 JFADRO Cc1nnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290872044 1062758468 /nfs/dbraw/zinc/75/84/68/1062758468.db2.gz PXVVLBCUIQEUGV-OALUTQOASA-N 1 0 465.568 2.870 20 0 JFADRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001294974122 1062758600 /nfs/dbraw/zinc/75/86/00/1062758600.db2.gz PROLINXOAGUUFF-GOSISDBHSA-N 1 0 459.612 2.883 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001287287277 1062761303 /nfs/dbraw/zinc/76/13/03/1062761303.db2.gz LUWDCHFMYMCBJQ-NRFANRHFSA-N 1 0 470.666 2.901 20 0 JFADRO Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCc1ccc(N(C)C)cc1 ZINC001290876527 1062761612 /nfs/dbraw/zinc/76/16/12/1062761612.db2.gz OCPGRHMEPCQYOI-UHFFFAOYSA-N 1 0 454.541 2.986 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290877317 1062762704 /nfs/dbraw/zinc/76/27/04/1062762704.db2.gz UDYUHTPCVJXQMP-OAQYLSRUSA-N 1 0 482.551 2.765 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001290879793 1062764104 /nfs/dbraw/zinc/76/41/04/1062764104.db2.gz ZIOFDYRTRXWQAI-UHFFFAOYSA-N 1 0 474.675 2.893 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3ccccc3Br)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290887567 1062766873 /nfs/dbraw/zinc/76/68/73/1062766873.db2.gz FYSCZKBQYOTWGG-FXAWDEMLSA-N 1 0 464.408 2.774 20 0 JFADRO Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290898287 1062771714 /nfs/dbraw/zinc/77/17/14/1062771714.db2.gz VOSUCGGFFUQLJT-PZJWPPBQSA-N 1 0 469.634 2.901 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294986148 1062773215 /nfs/dbraw/zinc/77/32/15/1062773215.db2.gz CXHIVOZNUXXNJO-FQEVSTJZSA-N 1 0 485.633 2.822 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2CC3(C2)C[C@H](NC(=O)OC(C)(C)C)CCS3)CC1 ZINC001294993348 1062780761 /nfs/dbraw/zinc/78/07/61/1062780761.db2.gz NJGJLDBCUJTIJN-FRIYVGAWSA-N 1 0 455.665 2.907 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001295001414 1062786693 /nfs/dbraw/zinc/78/66/93/1062786693.db2.gz ABCZALMTAQVMTP-PMACEKPBSA-N 1 0 455.669 2.696 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001295001782 1062787704 /nfs/dbraw/zinc/78/77/04/1062787704.db2.gz GUQJAYWMCSBAJZ-PWRODBHTSA-N 1 0 467.680 2.698 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001295001781 1062787772 /nfs/dbraw/zinc/78/77/72/1062787772.db2.gz GUQJAYWMCSBAJZ-PCCBWWKXSA-N 1 0 467.680 2.698 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001287319060 1062790828 /nfs/dbraw/zinc/79/08/28/1062790828.db2.gz HAFSSBZDUXHXHL-AQNXPRMDSA-N 1 0 455.607 2.907 20 0 JFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)CCCOc3ccc4c(c3)CCC(=O)N4)cc2)CC1 ZINC001290916448 1062791188 /nfs/dbraw/zinc/79/11/88/1062791188.db2.gz PBSNOUSFQGCQKH-UHFFFAOYSA-N 1 0 450.583 2.794 20 0 JFADRO Cc1noc(C)c1CCn1c(CC(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001290917698 1062793020 /nfs/dbraw/zinc/79/30/20/1062793020.db2.gz IFSZBQICDHCVSP-QFIPXVFZSA-N 1 0 473.666 2.555 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+](C)C ZINC001287319677 1062792984 /nfs/dbraw/zinc/79/29/84/1062792984.db2.gz NDOKXWVMRUABFP-UXHICEINSA-N 1 0 491.681 2.936 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001287320901 1062795547 /nfs/dbraw/zinc/79/55/47/1062795547.db2.gz YMFYOASTQFPPTJ-GGAORHGYSA-N 1 0 484.645 2.775 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001287321011 1062796828 /nfs/dbraw/zinc/79/68/28/1062796828.db2.gz ZJOMFTIKLCQTAE-HXUWFJFHSA-N 1 0 470.618 2.898 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290921463 1062797173 /nfs/dbraw/zinc/79/71/73/1062797173.db2.gz CTCQNAAFJDIHGQ-UHFFFAOYSA-N 1 0 451.575 2.887 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOCC1)[NH+](C)C ZINC001287321360 1062797504 /nfs/dbraw/zinc/79/75/04/1062797504.db2.gz FXXKCWVSZZVFMP-IBGZPJMESA-N 1 0 450.031 2.738 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001287321411 1062798078 /nfs/dbraw/zinc/79/80/78/1062798078.db2.gz GQXILDDEDHNNBC-WMQCIHAUSA-N 1 0 496.653 2.582 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001287322484 1062800407 /nfs/dbraw/zinc/80/04/07/1062800407.db2.gz PUJFJRWAQSDJFD-KSZLIROESA-N 1 0 452.625 2.799 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccco1)[NH+](C)C ZINC001287322490 1062800434 /nfs/dbraw/zinc/80/04/34/1062800434.db2.gz PUJFJRWAQSDJFD-KZNAEPCWSA-N 1 0 452.625 2.799 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001295013680 1062801609 /nfs/dbraw/zinc/80/16/09/1062801609.db2.gz DDGVLSMBXFFAQJ-LJQANCHMSA-N 1 0 454.685 2.822 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295013679 1062801634 /nfs/dbraw/zinc/80/16/34/1062801634.db2.gz DDGVLSMBXFFAQJ-IBGZPJMESA-N 1 0 454.685 2.822 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H](C)CC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014119 1062802130 /nfs/dbraw/zinc/80/21/30/1062802130.db2.gz IVDWDOVMZNFYDF-MOPGFXCFSA-N 1 0 454.685 2.822 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328628 1062802687 /nfs/dbraw/zinc/80/26/87/1062802687.db2.gz JMBQWDIBEOKYLD-CJFMBICVSA-N 1 0 467.618 2.736 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328694 1062803390 /nfs/dbraw/zinc/80/33/90/1062803390.db2.gz KPENHPHVOQNZCQ-RXVVDRJESA-N 1 0 485.608 2.827 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328796 1062803867 /nfs/dbraw/zinc/80/38/67/1062803867.db2.gz MLFRWVGMJJYYIN-RTWAWAEBSA-N 1 0 467.618 2.688 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1)[NH+](C)C ZINC001287329149 1062804633 /nfs/dbraw/zinc/80/46/33/1062804633.db2.gz BMBRQGOPZSLYNN-VQTJNVASSA-N 1 0 460.602 2.752 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC(C)C)C1)[NH+](C)C ZINC001287329348 1062805740 /nfs/dbraw/zinc/80/57/40/1062805740.db2.gz CYACCGGREMHMBK-RTBURBONSA-N 1 0 476.622 2.612 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287329192 1062805882 /nfs/dbraw/zinc/80/58/82/1062805882.db2.gz RVBNJQOAEHNJAG-SFHVURJKSA-N 1 0 466.627 2.532 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001287329895 1062806752 /nfs/dbraw/zinc/80/67/52/1062806752.db2.gz ZJQRGQKTFDBSRD-QFIPXVFZSA-N 1 0 476.629 2.742 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)[NH+](C)C ZINC001287330966 1062807709 /nfs/dbraw/zinc/80/77/09/1062807709.db2.gz OBTHFGOLGIFBIP-VXKWHMMOSA-N 1 0 487.693 2.871 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001287331387 1062808585 /nfs/dbraw/zinc/80/85/85/1062808585.db2.gz GJOZIXHZALRPSU-GMAHTHKFSA-N 1 0 486.636 2.812 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC001287331383 1062808629 /nfs/dbraw/zinc/80/86/29/1062808629.db2.gz GJOZIXHZALRPSU-FYYLOGMGSA-N 1 0 486.636 2.812 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC001287331389 1062808681 /nfs/dbraw/zinc/80/86/81/1062808681.db2.gz GJOZIXHZALRPSU-JTHBVZDNSA-N 1 0 486.636 2.812 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295015486 1062809274 /nfs/dbraw/zinc/80/92/74/1062809274.db2.gz VJIMFFRPOOQLAR-FQEVSTJZSA-N 1 0 496.722 2.592 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccnc3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001295015729 1062810720 /nfs/dbraw/zinc/81/07/20/1062810720.db2.gz ZWLAJXBILQQGGG-JOCHJYFZSA-N 1 0 489.690 2.903 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC001295015876 1062811055 /nfs/dbraw/zinc/81/10/55/1062811055.db2.gz XLNAVLJDLNGWCV-UHFFFAOYSA-N 1 0 484.736 2.636 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCn1cccn1)[NH+](C)C ZINC001287334440 1062812193 /nfs/dbraw/zinc/81/21/93/1062812193.db2.gz XCIBDWHNRKLIGR-IBGZPJMESA-N 1 0 477.617 2.501 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001287335037 1062813382 /nfs/dbraw/zinc/81/33/82/1062813382.db2.gz YQFKMFTWYPLQHQ-YRPNKDGESA-N 1 0 489.665 2.509 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001287335040 1062813538 /nfs/dbraw/zinc/81/35/38/1062813538.db2.gz YQFKMFTWYPLQHQ-ZGXWSNOMSA-N 1 0 489.665 2.509 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001287335703 1062814048 /nfs/dbraw/zinc/81/40/48/1062814048.db2.gz WLANFIITJBFOSV-PMACEKPBSA-N 1 0 491.658 2.564 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001295017363 1062814687 /nfs/dbraw/zinc/81/46/87/1062814687.db2.gz LGZXJUWYRXUKAO-UHFFFAOYSA-N 1 0 462.664 2.773 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)[NH+](C)C ZINC001287338455 1062815717 /nfs/dbraw/zinc/81/57/17/1062815717.db2.gz HZUKVRXVGPDVRT-GGAORHGYSA-N 1 0 473.710 2.730 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C2)n1 ZINC001290943789 1062817231 /nfs/dbraw/zinc/81/72/31/1062817231.db2.gz LTDHTKFQULABBW-SFHVURJKSA-N 1 0 458.611 2.614 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339346 1062817235 /nfs/dbraw/zinc/81/72/35/1062817235.db2.gz UMNUXMWACZYOEB-RBUKOAKNSA-N 1 0 456.701 2.660 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001295018335 1062817996 /nfs/dbraw/zinc/81/79/96/1062817996.db2.gz WLJQFRHVWVVLAH-NRFANRHFSA-N 1 0 491.706 2.846 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287341522 1062819244 /nfs/dbraw/zinc/81/92/44/1062819244.db2.gz OGLAAZAEXYPNDQ-RBBKRZOGSA-N 1 0 470.618 2.774 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)C2)n1 ZINC001290944804 1062819811 /nfs/dbraw/zinc/81/98/11/1062819811.db2.gz YPVOYKTXZGRDHG-AZUAARDMSA-N 1 0 484.580 2.934 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC001290944924 1062819863 /nfs/dbraw/zinc/81/98/63/1062819863.db2.gz CDMAXABVEVPLGX-KRWDZBQOSA-N 1 0 458.611 2.614 20 0 JFADRO COc1cc(I)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001295020122 1062820195 /nfs/dbraw/zinc/82/01/95/1062820195.db2.gz PLBRLWQARQKYGG-DLBZAZTESA-N 1 0 458.340 2.798 20 0 JFADRO COc1cc(I)ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001295020125 1062820253 /nfs/dbraw/zinc/82/02/53/1062820253.db2.gz PLBRLWQARQKYGG-IRXDYDNUSA-N 1 0 458.340 2.798 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCCC3)CC2)n1 ZINC001290944925 1062820300 /nfs/dbraw/zinc/82/03/00/1062820300.db2.gz CDMAXABVEVPLGX-QGZVFWFLSA-N 1 0 458.611 2.614 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287351901 1062823875 /nfs/dbraw/zinc/82/38/75/1062823875.db2.gz KUEGXYGTJGGLAN-FCHUYYIVSA-N 1 0 474.675 2.611 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccsc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001295022271 1062825495 /nfs/dbraw/zinc/82/54/95/1062825495.db2.gz QMUKUATXVLBZLN-UHFFFAOYSA-N 1 0 480.704 2.713 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001295022401 1062826253 /nfs/dbraw/zinc/82/62/53/1062826253.db2.gz SRTNXJWJCRWOFC-HSZRJFAPSA-N 1 0 498.763 2.746 20 0 JFADRO Cc1noc(CCCn2c(CC(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC001290954898 1062830006 /nfs/dbraw/zinc/83/00/06/1062830006.db2.gz DJSXXEUYIABYMX-NRFANRHFSA-N 1 0 453.591 2.656 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001287364984 1062830080 /nfs/dbraw/zinc/83/00/80/1062830080.db2.gz FYQZWWBUFHGHAD-QFIPXVFZSA-N 1 0 470.662 2.918 20 0 JFADRO COc1cc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)sc1S(N)(=O)=O ZINC001290961360 1062837868 /nfs/dbraw/zinc/83/78/68/1062837868.db2.gz NQWHLDSWTLDSST-GASCZTMLSA-N 1 0 451.614 2.812 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001287398472 1062843786 /nfs/dbraw/zinc/84/37/86/1062843786.db2.gz RXLVPPRKMCNXBK-LAUBAEHRSA-N 1 0 461.573 2.975 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001287403582 1062846678 /nfs/dbraw/zinc/84/66/78/1062846678.db2.gz OBTJWRHKXXWLPK-HXOBKFHXSA-N 1 0 473.647 2.656 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001295045792 1062847821 /nfs/dbraw/zinc/84/78/21/1062847821.db2.gz CIKIIUSLZDMTBU-GOSISDBHSA-N 1 0 450.628 2.781 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CC1([S@@](C)=O)CC1 ZINC001287410695 1062850369 /nfs/dbraw/zinc/85/03/69/1062850369.db2.gz IUBYUQKBAGWAJZ-WJOKGBTCSA-N 1 0 451.681 2.717 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(C(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)CC2)n1 ZINC001290973235 1062851852 /nfs/dbraw/zinc/85/18/52/1062851852.db2.gz VILJDHZTCQPIFV-LJQANCHMSA-N 1 0 462.668 2.515 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287413485 1062852226 /nfs/dbraw/zinc/85/22/26/1062852226.db2.gz LUNVKWQSTOJSHY-NRFANRHFSA-N 1 0 480.654 2.684 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCCCC1 ZINC001290975637 1062852982 /nfs/dbraw/zinc/85/29/82/1062852982.db2.gz AYOXSODIKAUSDY-INIZCTEOSA-N 1 0 461.408 2.860 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCN(C)CC(F)(F)F ZINC001287417855 1062855685 /nfs/dbraw/zinc/85/56/85/1062855685.db2.gz FMZRZJSSTYDTTA-LJQANCHMSA-N 1 0 459.605 2.575 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C1CC1)[NH+](C)C ZINC001290976288 1062856381 /nfs/dbraw/zinc/85/63/81/1062856381.db2.gz PPPXSPGRSCFPKN-UGSOOPFHSA-N 1 0 479.398 2.854 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001290976961 1062859130 /nfs/dbraw/zinc/85/91/30/1062859130.db2.gz WNBPOHUITAVBIX-INIZCTEOSA-N 1 0 471.968 2.932 20 0 JFADRO CC(C)Cc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287425315 1062863064 /nfs/dbraw/zinc/86/30/64/1062863064.db2.gz GTYKLGKXLWMYNA-UHFFFAOYSA-N 1 0 478.041 2.815 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001295057470 1062864082 /nfs/dbraw/zinc/86/40/82/1062864082.db2.gz BSVCGGLICSZWEX-QAPCUYQASA-N 1 0 461.408 2.859 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001295057463 1062864146 /nfs/dbraw/zinc/86/41/46/1062864146.db2.gz BSVCGGLICSZWEX-CRAIPNDOSA-N 1 0 461.408 2.859 20 0 JFADRO CC(C)Cc1nnc(N2CCC(Oc3ncccc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287426302 1062864397 /nfs/dbraw/zinc/86/43/97/1062864397.db2.gz VFSMSMMHRAIOSJ-IBGZPJMESA-N 1 0 460.598 2.905 20 0 JFADRO CC(C)Cc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001287427089 1062865604 /nfs/dbraw/zinc/86/56/04/1062865604.db2.gz FYKPABKYFLWZKJ-LJQANCHMSA-N 1 0 459.639 2.509 20 0 JFADRO CC(C)Cc1nnc(N2CCc3nc(C(F)(F)F)ncc3C2)n1CCCC[NH+]1CCOCC1 ZINC001287434342 1062870124 /nfs/dbraw/zinc/87/01/24/1062870124.db2.gz JCEPWLVOGAGOQT-UHFFFAOYSA-N 1 0 467.540 2.961 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001287442101 1062874729 /nfs/dbraw/zinc/87/47/29/1062874729.db2.gz CMWIBHMOEQGEPQ-LEWJYISDSA-N 1 0 468.712 2.705 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287442295 1062875259 /nfs/dbraw/zinc/87/52/59/1062875259.db2.gz GUBZLGPZBQCUOL-FCHUYYIVSA-N 1 0 480.723 2.849 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccccc1OCC[NH+](C)C ZINC001290989162 1062878686 /nfs/dbraw/zinc/87/86/86/1062878686.db2.gz HJGYSRZURYGJIO-XKCSPQBFSA-N 1 0 498.672 2.852 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990183 1062882134 /nfs/dbraw/zinc/88/21/34/1062882134.db2.gz RFJBODQSAIOUHO-OTWHNJEPSA-N 1 0 471.654 2.643 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001287449065 1062885632 /nfs/dbraw/zinc/88/56/32/1062885632.db2.gz ZCBCHOHGMCJWOU-FCHUYYIVSA-N 1 0 480.723 2.993 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001295067919 1062887155 /nfs/dbraw/zinc/88/71/55/1062887155.db2.gz QRNNDCYLKSOGDR-LJQANCHMSA-N 1 0 465.602 2.654 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001287453529 1062888271 /nfs/dbraw/zinc/88/82/71/1062888271.db2.gz FZJHZRJUVUBCMC-DEOSSOPVSA-N 1 0 475.037 2.549 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290998283 1062891479 /nfs/dbraw/zinc/89/14/79/1062891479.db2.gz OSJCCQJZMXIKNN-OTWHNJEPSA-N 1 0 464.680 2.909 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001290998694 1062892395 /nfs/dbraw/zinc/89/23/95/1062892395.db2.gz PPVUPEAVSZLGIH-AQNXPRMDSA-N 1 0 489.690 2.567 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCN(C)CC(F)(F)F ZINC001287456585 1062893424 /nfs/dbraw/zinc/89/34/24/1062893424.db2.gz FLDYGOLATZACKQ-IBGZPJMESA-N 1 0 460.589 2.909 20 0 JFADRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001290999204 1062893816 /nfs/dbraw/zinc/89/38/16/1062893816.db2.gz JLIMMZHMFJMWAJ-SXGZJXTBSA-N 1 0 451.413 2.595 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)C(=O)C3)nnc2C(C)(C)C)C1 ZINC001290999985 1062894382 /nfs/dbraw/zinc/89/43/82/1062894382.db2.gz MAIPZMFOGDCJPT-OALUTQOASA-N 1 0 470.666 2.919 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291000036 1062895337 /nfs/dbraw/zinc/89/53/37/1062895337.db2.gz MGMNSSBZXYSTCM-SVFBPWRDSA-N 1 0 496.722 2.746 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291000294 1062895429 /nfs/dbraw/zinc/89/54/29/1062895429.db2.gz VOFGOQNYCBPZQJ-FIRLOTFOSA-N 1 0 496.722 2.649 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1 ZINC001291002501 1062899793 /nfs/dbraw/zinc/89/97/93/1062899793.db2.gz VMINUOSMSZRGNO-UXGLMHHASA-N 1 0 490.693 2.744 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287461705 1062900495 /nfs/dbraw/zinc/90/04/95/1062900495.db2.gz AVEWXEAFTCNNPT-UHFFFAOYSA-N 1 0 460.667 2.816 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001287462288 1062901675 /nfs/dbraw/zinc/90/16/75/1062901675.db2.gz MHMWCMDUMJQUHF-HSZRJFAPSA-N 1 0 484.645 2.501 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001287462289 1062901786 /nfs/dbraw/zinc/90/17/86/1062901786.db2.gz MHMWCMDUMJQUHF-QHCPKHFHSA-N 1 0 484.645 2.501 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCc1ccc(F)c(F)c1 ZINC001287462880 1062902994 /nfs/dbraw/zinc/90/29/94/1062902994.db2.gz UDZGBHUBVPNJJD-NRFANRHFSA-N 1 0 460.573 2.740 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287462909 1062904652 /nfs/dbraw/zinc/90/46/52/1062904652.db2.gz VAYXGTBREFGMHD-SQJMNOBHSA-N 1 0 489.064 2.781 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001287463425 1062905497 /nfs/dbraw/zinc/90/54/97/1062905497.db2.gz ZSTPUTUBXAOLKB-HXUWFJFHSA-N 1 0 454.619 2.877 20 0 JFADRO CC(C)NC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001291009060 1062905631 /nfs/dbraw/zinc/90/56/31/1062905631.db2.gz ZSANTHQHTRDRIF-SZPZYZBQSA-N 1 0 467.662 2.650 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009430 1062907269 /nfs/dbraw/zinc/90/72/69/1062907269.db2.gz FYMXJKSJISQMIF-QHAWAJNXSA-N 1 0 496.722 2.796 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009707 1062907659 /nfs/dbraw/zinc/90/76/59/1062907659.db2.gz JPJBIXLFTLWBKU-YZIHRLCOSA-N 1 0 490.693 2.949 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001287464429 1062908479 /nfs/dbraw/zinc/90/84/79/1062908479.db2.gz BFAWOEZIYNFERR-HXUWFJFHSA-N 1 0 461.699 2.634 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(CNC(=O)c3cccs3)nnc2N2CCS(=O)CC2)C1 ZINC001291011777 1062913123 /nfs/dbraw/zinc/91/31/23/1062913123.db2.gz PNHAWTCYSGGFDB-OALUTQOASA-N 1 0 492.715 2.596 20 0 JFADRO COC(=O)C1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)(C(=O)OC)CC1 ZINC001295081242 1062913285 /nfs/dbraw/zinc/91/32/85/1062913285.db2.gz BFJUCBVMCTXZQN-DKTYTTGXSA-N 1 0 452.498 2.535 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291011857 1062913651 /nfs/dbraw/zinc/91/36/51/1062913651.db2.gz QPWSHMUNVCEIID-RTBURBONSA-N 1 0 469.634 2.520 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001295083329 1062914402 /nfs/dbraw/zinc/91/44/02/1062914402.db2.gz ABIPBHVYUKNSPO-UHFFFAOYSA-N 1 0 472.634 2.902 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3cccc(F)c3)C(=O)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287468391 1062914799 /nfs/dbraw/zinc/91/47/99/1062914799.db2.gz DBKSUZRVEYROBC-UHFFFAOYSA-N 1 0 472.609 2.704 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291012185 1062915519 /nfs/dbraw/zinc/91/55/19/1062915519.db2.gz VKGNAFKPPSBBFI-BGYRXZFFSA-N 1 0 466.696 2.775 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001287469809 1062917282 /nfs/dbraw/zinc/91/72/82/1062917282.db2.gz VMTSOLYFOKQXRX-MHECFPHRSA-N 1 0 462.589 2.705 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001291012707 1062918065 /nfs/dbraw/zinc/91/80/65/1062918065.db2.gz DBUNVAOHHIBJCK-YRPNKDGESA-N 1 0 489.665 2.701 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291013140 1062918758 /nfs/dbraw/zinc/91/87/58/1062918758.db2.gz JPASYQQZQVQULV-LNRXMEIDSA-N 1 0 481.707 2.944 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001291013087 1062918826 /nfs/dbraw/zinc/91/88/26/1062918826.db2.gz IQWJLXVJRFZKRI-GUDVDZBRSA-N 1 0 485.599 2.672 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287471665 1062920341 /nfs/dbraw/zinc/92/03/41/1062920341.db2.gz NHCRFGBRQYVNIY-QFIPXVFZSA-N 1 0 494.619 2.739 20 0 JFADRO CCN(C)C(=O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001295085314 1062921657 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1062924869 /nfs/dbraw/zinc/92/48/69/1062924869.db2.gz NDSNKSMISZUPFB-HSALFYBXSA-N 1 0 493.649 2.988 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291014950 1062925223 /nfs/dbraw/zinc/92/52/23/1062925223.db2.gz KTWDBONTRAAKEX-XPNTWCBSSA-N 1 0 489.686 2.891 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015209 1062925988 /nfs/dbraw/zinc/92/59/88/1062925988.db2.gz NVSRDMXNRBMTMY-RTBURBONSA-N 1 0 479.622 2.599 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001287476268 1062928219 /nfs/dbraw/zinc/92/82/19/1062928219.db2.gz GTHHMNAVTLNPBA-ZEQRLZLVSA-N 1 0 487.737 2.835 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001287476261 1062928245 /nfs/dbraw/zinc/92/82/45/1062928245.db2.gz GTHHMNAVTLNPBA-DNQXCXABSA-N 1 0 487.737 2.835 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001287476403 1062929419 /nfs/dbraw/zinc/92/94/19/1062929419.db2.gz HXRSLZALKDZZDN-UHFFFAOYSA-N 1 0 455.651 2.825 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001287482427 1062938979 /nfs/dbraw/zinc/93/89/79/1062938979.db2.gz TZCOGYNJZZQTEI-DEOSSOPVSA-N 1 0 497.688 2.737 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001295126337 1062940967 /nfs/dbraw/zinc/94/09/67/1062940967.db2.gz FJOIWSROMKXVDE-OAQYLSRUSA-N 1 0 462.664 2.667 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCC[C@H](NC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001295126454 1062941851 /nfs/dbraw/zinc/94/18/51/1062941851.db2.gz HHPKYYFMKYPJHP-RPLLCQBOSA-N 1 0 498.672 2.924 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2nccs2)c1 ZINC001295126373 1062941939 /nfs/dbraw/zinc/94/19/39/1062941939.db2.gz DZLKYNABPNCMDD-IBGZPJMESA-N 1 0 474.656 2.773 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)c1 ZINC001295126640 1062942707 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1062977857 /nfs/dbraw/zinc/97/78/57/1062977857.db2.gz RUXXDKCXUDGTQT-XMGTWHOFSA-N 1 0 490.674 2.539 20 0 JFADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287548304 1062980811 /nfs/dbraw/zinc/98/08/11/1062980811.db2.gz NJQYRQLVMJBODX-BKMJKUGQSA-N 1 0 470.662 3.000 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001291051391 1062981398 /nfs/dbraw/zinc/98/13/98/1062981398.db2.gz DXAMZPUEMDHDFS-KURKYZTESA-N 1 0 485.599 2.813 20 0 JFADRO CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295166093 1062990335 /nfs/dbraw/zinc/99/03/35/1062990335.db2.gz DGUSHSKLFREICM-MJGOQNOKSA-N 1 0 482.050 2.961 20 0 JFADRO CC(C)CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287580152 1062993076 /nfs/dbraw/zinc/99/30/76/1062993076.db2.gz MGRAIXIXTKBNRX-JOCHJYFZSA-N 1 0 455.636 2.840 20 0 JFADRO CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001287583453 1062995146 /nfs/dbraw/zinc/99/51/46/1062995146.db2.gz RYNVTVDBUWMCOM-YADHBBJMSA-N 1 0 454.619 2.717 20 0 JFADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1)C[NH+]1CCCCC1 ZINC001291060935 1062996258 /nfs/dbraw/zinc/99/62/58/1062996258.db2.gz TWPGZBRXAKAGJT-OEXSPLCWSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001291061290 1062997101 /nfs/dbraw/zinc/99/71/01/1062997101.db2.gz GECIOHHLXRKEST-MORLXBONSA-N 1 0 458.607 2.618 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CC(=O)NC1CCCCC1 ZINC001291061630 1062997712 /nfs/dbraw/zinc/99/77/12/1062997712.db2.gz SUYTYLQGPPHJKF-UHFFFAOYSA-N 1 0 473.666 2.566 20 0 JFADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291061669 1062998175 /nfs/dbraw/zinc/99/81/75/1062998175.db2.gz UQIFDZIFQIUTHE-HHEBOYGLSA-N 1 0 496.722 2.650 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001291061727 1062998330 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1063015550 /nfs/dbraw/zinc/01/55/50/1063015550.db2.gz KNCSAXQAJNOPOT-IFMALSPDSA-N 1 0 459.683 2.803 20 0 JFADRO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[N@@H+]2C3)CCN1C(=O)OC(C)(C)C ZINC001295197044 1063018330 /nfs/dbraw/zinc/01/83/30/1063018330.db2.gz ADRVWCSYKRKADK-PSWRPDDJSA-N 1 0 470.614 2.737 20 0 JFADRO C[C@@H]1CCC[C@H](N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001291073974 1063022181 /nfs/dbraw/zinc/02/21/81/1063022181.db2.gz JDHNELVODYMERW-BAGYTPMASA-N 1 0 496.722 2.890 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1CCC[NH+]1CCCC1 ZINC001291076017 1063023928 /nfs/dbraw/zinc/02/39/28/1063023928.db2.gz JCFPRAVTJONHFF-YADHBBJMSA-N 1 0 459.683 2.704 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1CCC[NH+]1CCCC1 ZINC001291076016 1063023955 /nfs/dbraw/zinc/02/39/55/1063023955.db2.gz JCFPRAVTJONHFF-VXKWHMMOSA-N 1 0 459.683 2.704 20 0 JFADRO CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295216746 1063032086 /nfs/dbraw/zinc/03/20/86/1063032086.db2.gz HPZOHWWWGFFLET-OPAMFIHVSA-N 1 0 499.653 2.598 20 0 JFADRO CCN(c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C1CC1)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295218284 1063035564 /nfs/dbraw/zinc/03/55/64/1063035564.db2.gz PVBRVUSPVJPFPP-UZLBHIALSA-N 1 0 467.586 2.501 20 0 JFADRO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCCCC1)[C@@H](C)C1CCC1 ZINC001295218930 1063036532 /nfs/dbraw/zinc/03/65/32/1063036532.db2.gz QDDTUIBNFAVSGB-PZJWPPBQSA-N 1 0 496.722 2.890 20 0 JFADRO CCN(c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1)C1CCCCC1 ZINC001295220224 1063039744 /nfs/dbraw/zinc/03/97/44/1063039744.db2.gz VJORHETVJUDLOQ-CPJSRVTESA-N 1 0 492.665 2.812 20 0 JFADRO CC(C)CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)[NH+](C)C)C(C)C ZINC001287706828 1063044079 /nfs/dbraw/zinc/04/40/79/1063044079.db2.gz MGSGYJCLJXTMAN-UXHICEINSA-N 1 0 498.719 2.846 20 0 JFADRO CCN(c1nnc(Cc2ccccc2C)n1CC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295226248 1063046292 /nfs/dbraw/zinc/04/62/92/1063046292.db2.gz UCWVQLGFOFQCQL-UGKGYDQZSA-N 1 0 459.660 2.923 20 0 JFADRO CC(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001287717199 1063048494 /nfs/dbraw/zinc/04/84/94/1063048494.db2.gz SKBTUDKVCGJJTN-LJQANCHMSA-N 1 0 462.545 2.945 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291090256 1063049484 /nfs/dbraw/zinc/04/94/84/1063049484.db2.gz SMAGJTYQYPSWQI-FUHIMQAGSA-N 1 0 466.627 2.957 20 0 JFADRO CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295229552 1063052195 /nfs/dbraw/zinc/05/21/95/1063052195.db2.gz YRMWXCGYBSDZIC-YADHBBJMSA-N 1 0 474.675 2.645 20 0 JFADRO CC(C)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001287730069 1063052707 /nfs/dbraw/zinc/05/27/07/1063052707.db2.gz ZZSAQFYMKTZOQY-UHFFFAOYSA-N 1 0 496.704 2.929 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001287733291 1063055650 /nfs/dbraw/zinc/05/56/50/1063055650.db2.gz FZBXXZXLJJWUBR-QFIPXVFZSA-N 1 0 487.693 2.577 20 0 JFADRO C[C@H]1CCCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001291095787 1063055874 /nfs/dbraw/zinc/05/58/74/1063055874.db2.gz SMPZPKUSIJZJGK-YBJWPOLQSA-N 1 0 462.639 2.742 20 0 JFADRO C[C@H]1CCCCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001291095913 1063056218 /nfs/dbraw/zinc/05/62/18/1063056218.db2.gz VGDYNBSSABVBCT-SFHVURJKSA-N 1 0 460.648 2.743 20 0 JFADRO CCN(c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295241017 1063060753 /nfs/dbraw/zinc/06/07/53/1063060753.db2.gz WYLWQERXIHELNP-NRFANRHFSA-N 1 0 459.660 2.951 20 0 JFADRO CCN(c1nnc(CCc2ccccc2)n1CC1([NH+](C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295241018 1063060958 /nfs/dbraw/zinc/06/09/58/1063060958.db2.gz WYLWQERXIHELNP-OAQYLSRUSA-N 1 0 459.660 2.951 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C ZINC001291097774 1063061040 /nfs/dbraw/zinc/06/10/40/1063061040.db2.gz BNLHFAHSPMIPCO-IBGZPJMESA-N 1 0 456.639 2.817 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnn(C)c1 ZINC001291097882 1063061189 /nfs/dbraw/zinc/06/11/89/1063061189.db2.gz DJAYOXIZGHAOOH-IBGZPJMESA-N 1 0 485.658 2.983 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)C1 ZINC001287738483 1063061558 /nfs/dbraw/zinc/06/15/58/1063061558.db2.gz OMDRHZCGUYNKEB-NHCUHLMSSA-N 1 0 468.650 2.844 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2ccccc2Br)nnc1N1CCNC(=O)C1 ZINC001291098492 1063062190 /nfs/dbraw/zinc/06/21/90/1063062190.db2.gz OWSVJHISCZAISE-INIZCTEOSA-N 1 0 461.408 2.908 20 0 JFADRO C[C@@H]1CCCC[N@H+]1CCCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C ZINC001291098458 1063062507 /nfs/dbraw/zinc/06/25/07/1063062507.db2.gz OGVQTSROPZBXTN-MOPGFXCFSA-N 1 0 454.685 2.700 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001287738559 1063062397 /nfs/dbraw/zinc/06/23/97/1063062397.db2.gz PDHSOXZIADQBGC-WOJBJXKFSA-N 1 0 467.680 2.554 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001291099232 1063064608 /nfs/dbraw/zinc/06/46/08/1063064608.db2.gz DGBCHFMPDBFOHR-MJGOQNOKSA-N 1 0 451.662 2.818 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(F)cc3C2)C1 ZINC001287740484 1063065695 /nfs/dbraw/zinc/06/56/95/1063065695.db2.gz WBIXTIWHATVDPZ-OALUTQOASA-N 1 0 492.665 2.958 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001291099401 1063066154 /nfs/dbraw/zinc/06/61/54/1063066154.db2.gz GPOORTHJSLRJIE-LJQANCHMSA-N 1 0 492.665 2.791 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001291099598 1063066887 /nfs/dbraw/zinc/06/68/87/1063066887.db2.gz KEPUWQUQEOHVNY-RBUKOAKNSA-N 1 0 458.582 2.962 20 0 JFADRO CCN(c1nnc(COc2cccc(C)c2)n1C[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295251236 1063070654 /nfs/dbraw/zinc/07/06/54/1063070654.db2.gz XWMUPKVYRALPEC-AUSIDOKSSA-N 1 0 493.699 2.616 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291101096 1063071222 /nfs/dbraw/zinc/07/12/22/1063071222.db2.gz NAWHAGFOHGPFBL-IBGZPJMESA-N 1 0 477.617 2.905 20 0 JFADRO CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1=O ZINC001287748693 1063072728 /nfs/dbraw/zinc/07/27/28/1063072728.db2.gz BQCQTPXVQZCSCN-BKMJKUGQSA-N 1 0 490.693 2.745 20 0 JFADRO CCN(c1nnc(COc2ccc(F)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295256676 1063073064 /nfs/dbraw/zinc/07/30/64/1063073064.db2.gz ORIHTFWFWOHIBQ-UYAOXDASSA-N 1 0 479.622 2.742 20 0 JFADRO CC(C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291101732 1063073640 /nfs/dbraw/zinc/07/36/40/1063073640.db2.gz ACAHGUCMSIQIHH-FQEVSTJZSA-N 1 0 459.683 2.703 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncccc2N(C)C)CC1 ZINC001287749849 1063074408 /nfs/dbraw/zinc/07/44/08/1063074408.db2.gz JJVYFFNIRTWHOU-VWLOTQADSA-N 1 0 471.650 2.606 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001291102164 1063075236 /nfs/dbraw/zinc/07/52/36/1063075236.db2.gz INKVEDPQXJWRSY-IFMALSPDSA-N 1 0 489.686 2.690 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102296 1063076972 /nfs/dbraw/zinc/07/69/72/1063076972.db2.gz KSSJIWNBCAMXEB-BRWVUGGUSA-N 1 0 476.638 2.880 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102298 1063077141 /nfs/dbraw/zinc/07/71/41/1063077141.db2.gz KSSJIWNBCAMXEB-IXDOHACOSA-N 1 0 476.638 2.880 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001287751516 1063077613 /nfs/dbraw/zinc/07/76/13/1063077613.db2.gz XNIWCKNIEDAWRH-ULQDDVLXSA-N 1 0 480.601 2.960 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001291102525 1063078098 /nfs/dbraw/zinc/07/80/98/1063078098.db2.gz OQPQDLIMSCKOPH-KURKYZTESA-N 1 0 485.599 2.813 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001291102636 1063078393 /nfs/dbraw/zinc/07/83/93/1063078393.db2.gz QFOOQKRYXLMICJ-GOSISDBHSA-N 1 0 462.602 2.981 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC001287751786 1063078807 /nfs/dbraw/zinc/07/88/07/1063078807.db2.gz ZEYNSMYAOIQFOY-CUWPLCDZSA-N 1 0 478.638 2.924 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001287751653 1063078989 /nfs/dbraw/zinc/07/89/89/1063078989.db2.gz YCRPHENRZOLGSR-KOSHJBKYSA-N 1 0 458.582 2.814 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103287 1063080023 /nfs/dbraw/zinc/08/00/23/1063080023.db2.gz BFNOQAFAMKUDBC-VAMGGRTRSA-N 1 0 470.618 2.813 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC001291103951 1063082032 /nfs/dbraw/zinc/08/20/32/1063082032.db2.gz MSHUWHUFBUDUAC-XUVXKRRUSA-N 1 0 489.665 2.738 20 0 JFADRO CCN(C1CCN(c2nnc(C(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC001295266046 1063082521 /nfs/dbraw/zinc/08/25/21/1063082521.db2.gz CVIPJBQCORFVCR-IBGZPJMESA-N 1 0 454.685 2.774 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291104188 1063083053 /nfs/dbraw/zinc/08/30/53/1063083053.db2.gz QNTSSGJMUWFGQP-NJYVYQBISA-N 1 0 487.693 2.766 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001287758451 1063084107 /nfs/dbraw/zinc/08/41/07/1063084107.db2.gz BZRULEBXXHSLHB-LJQANCHMSA-N 1 0 475.037 2.750 20 0 JFADRO C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105250 1063086712 /nfs/dbraw/zinc/08/67/12/1063086712.db2.gz GXKHKZXWVDGHHP-HZPDHXFCSA-N 1 0 455.028 2.595 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CCC(=O)N(C)C)CC1 ZINC001287761293 1063086582 /nfs/dbraw/zinc/08/65/82/1063086582.db2.gz SUWHOIRUBOANLB-UHFFFAOYSA-N 1 0 463.424 2.964 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105621 1063088049 /nfs/dbraw/zinc/08/80/49/1063088049.db2.gz LJASHYAFHAQZJI-WTGUMLROSA-N 1 0 489.665 2.795 20 0 JFADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105507 1063088092 /nfs/dbraw/zinc/08/80/92/1063088092.db2.gz JYJHFOMVXHXERG-QYZOEREBSA-N 1 0 460.648 2.571 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105747 1063088774 /nfs/dbraw/zinc/08/87/74/1063088774.db2.gz NEUZOOWOISTUAZ-SQNIBIBYSA-N 1 0 466.627 2.784 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001287762586 1063088990 /nfs/dbraw/zinc/08/89/90/1063088990.db2.gz UJICQYROZDBFOA-UHFFFAOYSA-N 1 0 458.611 2.816 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001287763078 1063090042 /nfs/dbraw/zinc/09/00/42/1063090042.db2.gz YQOFNOAPJDCJKI-UHFFFAOYSA-N 1 0 489.621 2.699 20 0 JFADRO C[C@@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105986 1063090084 /nfs/dbraw/zinc/09/00/84/1063090084.db2.gz QIKRQIOMRMRZFA-MSOLQXFVSA-N 1 0 474.631 2.797 20 0 JFADRO C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCNS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105987 1063090223 /nfs/dbraw/zinc/09/02/23/1063090223.db2.gz QIKRQIOMRMRZFA-QZTJIDSGSA-N 1 0 474.631 2.797 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106025 1063090579 /nfs/dbraw/zinc/09/05/79/1063090579.db2.gz QREMFRBREHIZAH-YADHBBJMSA-N 1 0 459.683 2.656 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291106024 1063090918 /nfs/dbraw/zinc/09/09/18/1063090918.db2.gz QREMFRBREHIZAH-VXKWHMMOSA-N 1 0 459.683 2.656 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@](C)(O)C(C)C)CC1 ZINC001287767481 1063091411 /nfs/dbraw/zinc/09/14/11/1063091411.db2.gz FUOKLPUXDOOAIZ-RUZDIDTESA-N 1 0 470.666 2.637 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106095 1063091504 /nfs/dbraw/zinc/09/15/04/1063091504.db2.gz RLKWZWQDKDBGPF-OVYGPGRDSA-N 1 0 480.601 2.643 20 0 JFADRO CCN(C1CCN(c2nnc(C3CC3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1)S(C)(=O)=O ZINC001295269403 1063091660 /nfs/dbraw/zinc/09/16/60/1063091660.db2.gz IHWNVHWXMQHQMN-OAQYLSRUSA-N 1 0 460.648 2.709 20 0 JFADRO CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2([NH+](C)C)CCSC2)[C@H](C)C1=O ZINC001287767519 1063092032 /nfs/dbraw/zinc/09/20/32/1063092032.db2.gz HEEGPIFYJNMDIT-SELNLUPBSA-N 1 0 464.680 2.650 20 0 JFADRO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1)S(C)(=O)=O ZINC001295269650 1063092539 /nfs/dbraw/zinc/09/25/39/1063092539.db2.gz MOUZGJCAXYEXMC-PMACEKPBSA-N 1 0 491.706 2.654 20 0 JFADRO C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCN1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106691 1063094868 /nfs/dbraw/zinc/09/48/68/1063094868.db2.gz ZLMLZLFRUFBRIO-QZTJIDSGSA-N 1 0 494.482 2.925 20 0 JFADRO CCN(C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001295270066 1063095095 /nfs/dbraw/zinc/09/50/95/1063095095.db2.gz TWYMUHFCOOIRFX-UHFFFAOYSA-N 1 0 489.690 2.712 20 0 JFADRO CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)[C@@H](C)C1=O ZINC001287769333 1063096444 /nfs/dbraw/zinc/09/64/44/1063096444.db2.gz SQHSSPDZGHXACR-FQEVSTJZSA-N 1 0 486.636 2.812 20 0 JFADRO CCN(C1CCN(c2nnc(CC3CC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1)S(C)(=O)=O ZINC001295272430 1063097161 /nfs/dbraw/zinc/09/71/61/1063097161.db2.gz BIDMWHREWBQGBR-IBGZPJMESA-N 1 0 480.704 2.845 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N(C)CCn3cccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001291108914 1063102051 /nfs/dbraw/zinc/10/20/51/1063102051.db2.gz CMOZMGNQMUJELL-DPLHUUCSSA-N 1 0 459.639 2.772 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291108701 1063102080 /nfs/dbraw/zinc/10/20/80/1063102080.db2.gz ZELJJQNLEFNUII-NHCUHLMSSA-N 1 0 453.635 2.689 20 0 JFADRO C[C@H](Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291109961 1063106339 /nfs/dbraw/zinc/10/63/39/1063106339.db2.gz UXRZIRYDLHSQPH-AQNXPRMDSA-N 1 0 468.712 2.804 20 0 JFADRO C[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291109811 1063106386 /nfs/dbraw/zinc/10/63/86/1063106386.db2.gz RRDZOSNSHRLVEF-ANQUJSFKSA-N 1 0 486.593 2.529 20 0 JFADRO C[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291110078 1063107583 /nfs/dbraw/zinc/10/75/83/1063107583.db2.gz XBXUBQYOVUVYOX-UFYCRDLUSA-N 1 0 489.665 2.797 20 0 JFADRO C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001291112160 1063113555 /nfs/dbraw/zinc/11/35/55/1063113555.db2.gz GGKPXSZTVPMHEL-GOSISDBHSA-N 1 0 461.632 2.696 20 0 JFADRO CCN(C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295274148 1063114909 /nfs/dbraw/zinc/11/49/09/1063114909.db2.gz VMHUKYTWJQMNQJ-CTNGQTDRSA-N 1 0 496.722 2.543 20 0 JFADRO C[C@H]1CCCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[NH+]2CCCC2)C1 ZINC001291113008 1063116956 /nfs/dbraw/zinc/11/69/56/1063116956.db2.gz VTGVHSYICSTLMA-IBGZPJMESA-N 1 0 460.648 2.918 20 0 JFADRO CCN(CC(C)C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001295276494 1063118705 /nfs/dbraw/zinc/11/87/05/1063118705.db2.gz SMGBKFPBVJSNON-SFHVURJKSA-N 1 0 463.652 2.682 20 0 JFADRO C[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001291117661 1063122340 /nfs/dbraw/zinc/12/23/40/1063122340.db2.gz HYFTWNSUQAFAOJ-CEMLEFRQSA-N 1 0 490.674 2.540 20 0 JFADRO C[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001291117662 1063122382 /nfs/dbraw/zinc/12/23/82/1063122382.db2.gz HYFTWNSUQAFAOJ-FCEUIQTBSA-N 1 0 490.674 2.540 20 0 JFADRO CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001295283670 1063126790 /nfs/dbraw/zinc/12/67/90/1063126790.db2.gz MLLCPAUFPPYSPP-RBBKRZOGSA-N 1 0 453.635 2.922 20 0 JFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001295284168 1063128007 /nfs/dbraw/zinc/12/80/07/1063128007.db2.gz ORDXBRVQYQIAIT-NMIHRBCNSA-N 1 0 456.587 2.673 20 0 JFADRO C[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001291122013 1063134294 /nfs/dbraw/zinc/13/42/94/1063134294.db2.gz IKIARBVEGZAJIB-RTBURBONSA-N 1 0 460.648 2.743 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291123540 1063138446 /nfs/dbraw/zinc/13/84/46/1063138446.db2.gz MJLPPTIRNWXFEV-VXKWHMMOSA-N 1 0 497.692 2.824 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291123836 1063140563 /nfs/dbraw/zinc/14/05/63/1063140563.db2.gz RLBXSODYSKXKJC-NRFANRHFSA-N 1 0 483.661 2.961 20 0 JFADRO C[C@H]1CCC[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCOCC2)C1 ZINC001291124694 1063144522 /nfs/dbraw/zinc/14/45/22/1063144522.db2.gz IPBLYZIHLCOFSK-PZJWPPBQSA-N 1 0 467.680 2.555 20 0 JFADRO C[C@@H]1CCC[N@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC(C)(C)C)C1 ZINC001291125093 1063146695 /nfs/dbraw/zinc/14/66/95/1063146695.db2.gz OQQNJLCHGNAJDQ-UXHICEINSA-N 1 0 469.696 2.944 20 0 JFADRO C[C@H]1CCC[N@H+](CCCCn2c(-c3ccc[nH]3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291125512 1063147980 /nfs/dbraw/zinc/14/79/80/1063147980.db2.gz VVAHDUTWLVKCQX-IBGZPJMESA-N 1 0 477.679 2.646 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2ccc(F)cc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291125897 1063151092 /nfs/dbraw/zinc/15/10/92/1063151092.db2.gz CUHFXNOOELVJBN-SQNIBIBYSA-N 1 0 466.627 2.957 20 0 JFADRO C[C@H]1CCC[N@H+](CCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CO)CC2)C1 ZINC001291125944 1063152175 /nfs/dbraw/zinc/15/21/75/1063152175.db2.gz DKVNMHLSEQZZBY-HNNXBMFYSA-N 1 0 451.413 2.976 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)C[C@H]2CCCO2)C1 ZINC001291126221 1063153444 /nfs/dbraw/zinc/15/34/44/1063153444.db2.gz IKLDTISFPNAKSL-TZIWHRDSSA-N 1 0 490.674 2.543 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001291126439 1063155527 /nfs/dbraw/zinc/15/55/27/1063155527.db2.gz MKHMPUUDBAFABN-LJQANCHMSA-N 1 0 490.674 2.543 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291126661 1063156785 /nfs/dbraw/zinc/15/67/85/1063156785.db2.gz QDYSEAGXUNBAHR-VAMGGRTRSA-N 1 0 462.664 2.860 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291127859 1063161674 /nfs/dbraw/zinc/16/16/74/1063161674.db2.gz NHBZKANYINTTFZ-UXHICEINSA-N 1 0 485.658 2.732 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128341 1063163061 /nfs/dbraw/zinc/16/30/61/1063163061.db2.gz VMIMQDDWGZROQF-UXHICEINSA-N 1 0 470.666 2.788 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001291128676 1063165415 /nfs/dbraw/zinc/16/54/15/1063165415.db2.gz AQSKQNKHWDWGMS-HSALFYBXSA-N 1 0 462.639 2.960 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128769 1063166201 /nfs/dbraw/zinc/16/62/01/1063166201.db2.gz CHGKCHCYGNSZJC-RZUBCFFCSA-N 1 0 460.667 2.891 20 0 JFADRO CCN(CC)C(=O)CCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001295307060 1063172165 /nfs/dbraw/zinc/17/21/65/1063172165.db2.gz FCXVOEWYXNYQIS-FPOVZHCZSA-N 1 0 473.666 2.518 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001291129946 1063175703 /nfs/dbraw/zinc/17/57/03/1063175703.db2.gz XNURJKDXWMCSOB-RBUKOAKNSA-N 1 0 491.681 2.825 20 0 JFADRO C[C@@H]1CCC[N@H+](CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001291131108 1063177611 /nfs/dbraw/zinc/17/76/11/1063177611.db2.gz VKPKMHQNLLHXDF-HSALFYBXSA-N 1 0 478.638 2.591 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001291135422 1063187788 /nfs/dbraw/zinc/18/77/88/1063187788.db2.gz BDWLAOBXOODMPJ-FXAWDEMLSA-N 1 0 461.010 2.961 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291135510 1063187831 /nfs/dbraw/zinc/18/78/31/1063187831.db2.gz CWSJXBRCPGUUGA-MOPGFXCFSA-N 1 0 498.632 2.855 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001291136220 1063191037 /nfs/dbraw/zinc/19/10/37/1063191037.db2.gz SQLVFFCDAJMACH-ROUUACIJSA-N 1 0 471.631 2.689 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(Br)s2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291137376 1063195510 /nfs/dbraw/zinc/19/55/10/1063195510.db2.gz PQXASWMOAZKFCK-CHWSQXEVSA-N 1 0 455.426 2.954 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291137602 1063196947 /nfs/dbraw/zinc/19/69/47/1063196947.db2.gz TZOAOUAGVGDHEQ-MSOLQXFVSA-N 1 0 456.595 2.665 20 0 JFADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291139231 1063203048 /nfs/dbraw/zinc/20/30/48/1063203048.db2.gz YGENQECMAPHXOG-SBHAEUEKSA-N 1 0 475.659 2.828 20 0 JFADRO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC001291140520 1063209338 /nfs/dbraw/zinc/20/93/38/1063209338.db2.gz ACRBIKJAXPAQGP-MOPGFXCFSA-N 1 0 460.648 2.571 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140672 1063210912 /nfs/dbraw/zinc/21/09/12/1063210912.db2.gz BYOBPLQQQBPZSL-VQTJNVASSA-N 1 0 491.681 2.982 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140960 1063212434 /nfs/dbraw/zinc/21/24/34/1063212434.db2.gz HANNVJOSHSELOE-GMAHTHKFSA-N 1 0 484.645 2.821 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC001291141155 1063213666 /nfs/dbraw/zinc/21/36/66/1063213666.db2.gz JJKTUUAXXJDJSU-OAQYLSRUSA-N 1 0 454.619 2.633 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142579 1063220061 /nfs/dbraw/zinc/22/00/61/1063220061.db2.gz HDLPKWYSXVKNBD-GUDVDZBRSA-N 1 0 486.583 2.797 20 0 JFADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142969 1063220741 /nfs/dbraw/zinc/22/07/41/1063220741.db2.gz ONCNNSNQPMIGNH-QZTJIDSGSA-N 1 0 481.567 2.909 20 0 JFADRO C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291143962 1063223840 /nfs/dbraw/zinc/22/38/40/1063223840.db2.gz GQGGTANYUDUNNQ-IBGZPJMESA-N 1 0 480.704 2.523 20 0 JFADRO C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291143894 1063223964 /nfs/dbraw/zinc/22/39/64/1063223964.db2.gz FCKSOXVGQNBKTM-PMACEKPBSA-N 1 0 492.665 2.599 20 0 JFADRO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144036 1063224276 /nfs/dbraw/zinc/22/42/76/1063224276.db2.gz IAIJZJXAOGNLRB-MOPGFXCFSA-N 1 0 458.573 2.977 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144334 1063224901 /nfs/dbraw/zinc/22/49/01/1063224901.db2.gz NBCKMUGIJDUWQH-CEXWTWQISA-N 1 0 458.573 2.975 20 0 JFADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291144719 1063226950 /nfs/dbraw/zinc/22/69/50/1063226950.db2.gz TWWAKGWXPIFWQK-RTBURBONSA-N 1 0 458.582 2.784 20 0 JFADRO C[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291144717 1063227070 /nfs/dbraw/zinc/22/70/70/1063227070.db2.gz TWWAKGWXPIFWQK-OALUTQOASA-N 1 0 458.582 2.784 20 0 JFADRO C[C@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC001291144716 1063227093 /nfs/dbraw/zinc/22/70/93/1063227093.db2.gz TWWAKGWXPIFWQK-MOPGFXCFSA-N 1 0 458.582 2.784 20 0 JFADRO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291145012 1063228129 /nfs/dbraw/zinc/22/81/29/1063228129.db2.gz ZDMNXQKGWVLDCG-IBGZPJMESA-N 1 0 485.599 2.595 20 0 JFADRO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1)[NH+]1CCC(C)CC1 ZINC001291145015 1063228174 /nfs/dbraw/zinc/22/81/74/1063228174.db2.gz ZELNWJXEKCFEAL-NHCUHLMSSA-N 1 0 482.695 2.502 20 0 JFADRO CC1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001291150854 1063239660 /nfs/dbraw/zinc/23/96/60/1063239660.db2.gz KCXCEYFGXWLJNK-UHFFFAOYSA-N 1 0 490.674 2.544 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295334682 1063242349 /nfs/dbraw/zinc/24/23/49/1063242349.db2.gz SHBANJABNVDECJ-HSZRJFAPSA-N 1 0 473.710 2.732 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001295334857 1063243835 /nfs/dbraw/zinc/24/38/35/1063243835.db2.gz UWGGCZXGKIQZMV-XMMPIXPASA-N 1 0 499.679 2.873 20 0 JFADRO C[C@H]1CCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291159175 1063245095 /nfs/dbraw/zinc/24/50/95/1063245095.db2.gz JPXUJMMMHMQWFZ-NRFANRHFSA-N 1 0 498.653 2.502 20 0 JFADRO C[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291159388 1063245601 /nfs/dbraw/zinc/24/56/01/1063245601.db2.gz NQXJENSRRWVLJO-KRWDZBQOSA-N 1 0 488.518 2.514 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001295335140 1063247152 /nfs/dbraw/zinc/24/71/52/1063247152.db2.gz MFIMNSBZMXRUMW-RUZDIDTESA-N 1 0 481.689 2.879 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C)n2C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001295335141 1063247360 /nfs/dbraw/zinc/24/73/60/1063247360.db2.gz MFIMNSBZMXRUMW-VWLOTQADSA-N 1 0 481.689 2.879 20 0 JFADRO C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291164064 1063247748 /nfs/dbraw/zinc/24/77/48/1063247748.db2.gz QCFXWDLDBMOACD-RBBKRZOGSA-N 1 0 475.659 2.708 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291164063 1063247883 /nfs/dbraw/zinc/24/78/83/1063247883.db2.gz QCFXWDLDBMOACD-IRLDBZIGSA-N 1 0 475.659 2.708 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295335045 1063248507 /nfs/dbraw/zinc/24/85/07/1063248507.db2.gz XAFDFKYQISYRAF-QFIPXVFZSA-N 1 0 499.679 2.873 20 0 JFADRO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001291165186 1063249572 /nfs/dbraw/zinc/24/95/72/1063249572.db2.gz HEDFXIPZFZBOLM-WYEJZRMESA-N 1 0 476.666 2.942 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295335997 1063255776 /nfs/dbraw/zinc/25/57/76/1063255776.db2.gz LENRAMOFWMXXCD-UHFFFAOYSA-N 1 0 484.693 2.539 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC001291167425 1063256079 /nfs/dbraw/zinc/25/60/79/1063256079.db2.gz PKJJWBOVQHOQAY-FSSWDIPSSA-N 1 0 496.722 2.750 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001295336178 1063256506 /nfs/dbraw/zinc/25/65/06/1063256506.db2.gz NPLNGMCASHNMKH-QHCPKHFHSA-N 1 0 496.635 2.706 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295336356 1063257954 /nfs/dbraw/zinc/25/79/54/1063257954.db2.gz PIKUGLLMMQQNMQ-NRFANRHFSA-N 1 0 484.693 2.774 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295336807 1063260103 /nfs/dbraw/zinc/26/01/03/1063260103.db2.gz WMRGYFIHXTZPDK-HSZRJFAPSA-N 1 0 498.720 2.642 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001291174644 1063263031 /nfs/dbraw/zinc/26/30/31/1063263031.db2.gz RZGKWZXSMIBQBG-ROUUACIJSA-N 1 0 460.648 2.740 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC001295338423 1063265940 /nfs/dbraw/zinc/26/59/40/1063265940.db2.gz ONHYQYLBVSMJOU-JOCHJYFZSA-N 1 0 473.710 2.874 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CCOc1ncccc1F ZINC001291179598 1063268814 /nfs/dbraw/zinc/26/88/14/1063268814.db2.gz HPFNZNYLWZLNOD-HXUWFJFHSA-N 1 0 487.624 2.978 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cccc(CO)c1 ZINC001291179943 1063270163 /nfs/dbraw/zinc/27/01/63/1063270163.db2.gz QHMMUSFCBVYPQG-QHCPKHFHSA-N 1 0 468.646 2.905 20 0 JFADRO CC1CC[NH+](CCCCn2c(CC3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001291180734 1063273085 /nfs/dbraw/zinc/27/30/85/1063273085.db2.gz LHOAJRZXKMYOHV-UHFFFAOYSA-N 1 0 480.723 2.995 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001291180594 1063273182 /nfs/dbraw/zinc/27/31/82/1063273182.db2.gz HERRYCAQTRVZJZ-VSKRKVRLSA-N 1 0 496.722 2.748 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001291181155 1063274238 /nfs/dbraw/zinc/27/42/38/1063274238.db2.gz ZFYMRHGZEMFSEN-PMACEKPBSA-N 1 0 467.680 2.696 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C)C(=O)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181818 1063276271 /nfs/dbraw/zinc/27/62/71/1063276271.db2.gz TUOVPHIXGSXKFA-LJQANCHMSA-N 1 0 458.582 2.958 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291182521 1063277787 /nfs/dbraw/zinc/27/77/87/1063277787.db2.gz PTLLYUWKLSJXQW-PMACEKPBSA-N 1 0 453.653 2.655 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001291183037 1063278987 /nfs/dbraw/zinc/27/89/87/1063278987.db2.gz DGGYHYOYHOPTKK-QFIPXVFZSA-N 1 0 487.693 2.511 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001291183239 1063280439 /nfs/dbraw/zinc/28/04/39/1063280439.db2.gz LABMIQDNZXXMJE-LJQANCHMSA-N 1 0 490.674 2.749 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccc(Br)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001291183842 1063281536 /nfs/dbraw/zinc/28/15/36/1063281536.db2.gz GYMXSGPBPJTDPQ-UHFFFAOYSA-N 1 0 461.408 2.718 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291184011 1063282047 /nfs/dbraw/zinc/28/20/47/1063282047.db2.gz MHUKXQRCXBNWNH-RTBURBONSA-N 1 0 460.648 2.744 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001291184717 1063284114 /nfs/dbraw/zinc/28/41/14/1063284114.db2.gz IGFLNUSOMMBCJH-HXUWFJFHSA-N 1 0 466.051 2.878 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295345776 1063285174 /nfs/dbraw/zinc/28/51/74/1063285174.db2.gz LGXFEJSMAPSRGR-OAQYLSRUSA-N 1 0 470.666 2.988 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295345949 1063286123 /nfs/dbraw/zinc/28/61/23/1063286123.db2.gz NYCZAUHKHQFCEY-UHFFFAOYSA-N 1 0 454.623 2.800 20 0 JFADRO CC1CC[NH+](CCn2c(COc3ccc(Br)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001291185737 1063286247 /nfs/dbraw/zinc/28/62/47/1063286247.db2.gz OJBIEXBDOMKLOD-KRWDZBQOSA-N 1 0 491.434 2.663 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295346334 1063286792 /nfs/dbraw/zinc/28/67/92/1063286792.db2.gz VKUAVUJQHPGUIX-UXHICEINSA-N 1 0 456.639 2.977 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001291185790 1063286974 /nfs/dbraw/zinc/28/69/74/1063286974.db2.gz QBLGHMRXKWIUPZ-QFIPXVFZSA-N 1 0 453.635 2.737 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001291185929 1063287630 /nfs/dbraw/zinc/28/76/30/1063287630.db2.gz UNSZMCFCFQBKAV-QHCPKHFHSA-N 1 0 467.662 2.984 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291186153 1063288847 /nfs/dbraw/zinc/28/88/47/1063288847.db2.gz AOSXLHIEXOCIOQ-CALCHBBNSA-N 1 0 490.052 2.973 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291186551 1063291222 /nfs/dbraw/zinc/29/12/22/1063291222.db2.gz GNIVSNGHVZYRIP-OKILXGFUSA-N 1 0 497.463 2.593 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccc(Br)s3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001291186552 1063291390 /nfs/dbraw/zinc/29/13/90/1063291390.db2.gz GNIVSNGHVZYRIP-ZIAGYGMSSA-N 1 0 497.463 2.593 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001295349886 1063294088 /nfs/dbraw/zinc/29/40/88/1063294088.db2.gz YDRMMOVOCMLWPK-UHFFFAOYSA-N 1 0 499.660 2.648 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)C[C@H](C)O1 ZINC001291187261 1063294761 /nfs/dbraw/zinc/29/47/61/1063294761.db2.gz RJXASNRCLKMMMS-FGTMMUONSA-N 1 0 458.582 2.639 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187352 1063294966 /nfs/dbraw/zinc/29/49/66/1063294966.db2.gz SVACXBWNHSOFHH-CEXWTWQISA-N 1 0 488.608 2.771 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295351251 1063297658 /nfs/dbraw/zinc/29/76/58/1063297658.db2.gz OSYMOIUAYQAPKE-CTNGQTDRSA-N 1 0 473.622 2.999 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCC(CNS(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001291188379 1063303357 /nfs/dbraw/zinc/30/33/57/1063303357.db2.gz JAVALPGNZYAKLX-RTBURBONSA-N 1 0 498.738 2.520 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001295353975 1063305312 /nfs/dbraw/zinc/30/53/12/1063305312.db2.gz IZANDNVVPQEQMK-QFIPXVFZSA-N 1 0 499.708 2.988 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291188954 1063306923 /nfs/dbraw/zinc/30/69/23/1063306923.db2.gz SVOKDQWLVNPJAS-IRXDYDNUSA-N 1 0 460.648 2.520 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295356028 1063310944 /nfs/dbraw/zinc/31/09/44/1063310944.db2.gz YQLYUZMRPOPFHS-QFIPXVFZSA-N 1 0 485.681 2.598 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295356145 1063311548 /nfs/dbraw/zinc/31/15/48/1063311548.db2.gz ZHLGUTOYSPPZSI-LJQANCHMSA-N 1 0 466.634 2.884 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001295358268 1063314565 /nfs/dbraw/zinc/31/45/65/1063314565.db2.gz IBEUTXXWJGKLLM-MISYRCLQSA-N 1 0 470.574 2.992 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001295358788 1063315905 /nfs/dbraw/zinc/31/59/05/1063315905.db2.gz NSGPHTHVWKSUFS-GOSISDBHSA-N 1 0 490.052 2.762 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001295358930 1063316860 /nfs/dbraw/zinc/31/68/60/1063316860.db2.gz QUOOVQRRXHJHGV-MRXNPFEDSA-N 1 0 453.595 2.642 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001295361228 1063322650 /nfs/dbraw/zinc/32/26/50/1063322650.db2.gz JDFFKRSSWQEARG-NVXWUHKLSA-N 1 0 450.534 2.979 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1CC1([NH+](C)C)CCCCC1 ZINC001291193800 1063324260 /nfs/dbraw/zinc/32/42/60/1063324260.db2.gz JPZVQRQVRWGANC-HXUWFJFHSA-N 1 0 454.619 2.831 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295363409 1063324435 /nfs/dbraw/zinc/32/44/35/1063324435.db2.gz VXDABHIQIRINHG-WMLDXEAASA-N 1 0 493.454 2.806 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001291194148 1063325700 /nfs/dbraw/zinc/32/57/00/1063325700.db2.gz QOPGELDXZJIGTH-LPHOPBHVSA-N 1 0 456.522 2.559 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCSCC1 ZINC001291194046 1063325821 /nfs/dbraw/zinc/32/58/21/1063325821.db2.gz NZIITCJUKUGXPP-LJQANCHMSA-N 1 0 486.686 2.870 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001291194167 1063326297 /nfs/dbraw/zinc/32/62/97/1063326297.db2.gz RIXTZWNVGXASSU-FQEVSTJZSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncccn2)CC1 ZINC001295365611 1063328198 /nfs/dbraw/zinc/32/81/98/1063328198.db2.gz LBWJOEUFECWGFE-KRWDZBQOSA-N 1 0 455.998 2.840 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295365825 1063328793 /nfs/dbraw/zinc/32/87/93/1063328793.db2.gz MNSNEKQWKCKOFT-KRWDZBQOSA-N 1 0 458.014 2.784 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001295366292 1063330277 /nfs/dbraw/zinc/33/02/77/1063330277.db2.gz RWMPOJFRRYRQMR-WOJBJXKFSA-N 1 0 467.622 2.904 20 0 JFADRO C[C@@H]1CN(c2ccccc2F)CCN1c1nnc(Cc2ccccn2)n1CCOCC[NH+](C)C ZINC001291194897 1063330826 /nfs/dbraw/zinc/33/08/26/1063330826.db2.gz GWRBONWFHDWVLH-HXUWFJFHSA-N 1 0 467.593 2.696 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001295367471 1063331652 /nfs/dbraw/zinc/33/16/52/1063331652.db2.gz XVBIGKWDRQMECN-KRWDZBQOSA-N 1 0 499.081 2.809 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001295367464 1063332582 /nfs/dbraw/zinc/33/25/82/1063332582.db2.gz UKLHKNDSTPKCGG-WIYYLYMNSA-N 1 0 492.690 2.787 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001291195108 1063333264 /nfs/dbraw/zinc/33/32/64/1063333264.db2.gz KJVQCBBWHZGDCU-SFHVURJKSA-N 1 0 485.599 2.709 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295369296 1063334179 /nfs/dbraw/zinc/33/41/79/1063334179.db2.gz CMABGKFYJBIAAH-JPYJTQIMSA-N 1 0 461.632 2.699 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001295369789 1063334704 /nfs/dbraw/zinc/33/47/04/1063334704.db2.gz KEGQEUAKFMGACC-MSOLQXFVSA-N 1 0 453.595 2.645 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001295370292 1063335903 /nfs/dbraw/zinc/33/59/03/1063335903.db2.gz MMRDLLQPBPITSM-NRFANRHFSA-N 1 0 478.645 2.775 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373941 1063342486 /nfs/dbraw/zinc/34/24/86/1063342486.db2.gz UILVLVWWHKADFI-VXKWHMMOSA-N 1 0 496.704 2.948 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373936 1063342574 /nfs/dbraw/zinc/34/25/74/1063342574.db2.gz UILVLVWWHKADFI-FCHUYYIVSA-N 1 0 496.704 2.948 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CCOC)CC1 ZINC001295374272 1063343070 /nfs/dbraw/zinc/34/30/70/1063343070.db2.gz WEFLLGAETWMEBC-HXUWFJFHSA-N 1 0 453.635 2.936 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](COC)C1 ZINC001295376724 1063345629 /nfs/dbraw/zinc/34/56/29/1063345629.db2.gz PITFQXHXSVLSIW-NJYVYQBISA-N 1 0 494.681 2.975 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001295378713 1063349243 /nfs/dbraw/zinc/34/92/43/1063349243.db2.gz JAYPHZVKWIFUDX-VIZSFHNOSA-N 1 0 458.626 2.895 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001295378808 1063349908 /nfs/dbraw/zinc/34/99/08/1063349908.db2.gz KFEDIIRCZKHKQM-SIKLNZKXSA-N 1 0 492.665 2.743 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295379550 1063351909 /nfs/dbraw/zinc/35/19/09/1063351909.db2.gz MXZIPFAJMOQTFE-QRVBRYPASA-N 1 0 450.628 2.958 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001295379876 1063351940 /nfs/dbraw/zinc/35/19/40/1063351940.db2.gz NHOQZEWUIYSBOX-IEBWSBKVSA-N 1 0 458.607 2.813 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@]2(CCOC2)O1 ZINC001291199362 1063352428 /nfs/dbraw/zinc/35/24/28/1063352428.db2.gz LXXGNABXHDZJQF-UQBPGWFLSA-N 1 0 457.619 2.949 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001295380325 1063353067 /nfs/dbraw/zinc/35/30/67/1063353067.db2.gz PKZIDUMLIKBCPA-HMFYCAOWSA-N 1 0 455.669 2.552 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380437 1063353197 /nfs/dbraw/zinc/35/31/97/1063353197.db2.gz QDCBJDFKTFVRMA-LAUBAEHRSA-N 1 0 477.631 2.534 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC001291199471 1063353557 /nfs/dbraw/zinc/35/35/57/1063353557.db2.gz OBIPDCYMEUIIIC-HDICACEKSA-N 1 0 461.010 2.961 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295382210 1063354861 /nfs/dbraw/zinc/35/48/61/1063354861.db2.gz ZGHPKEGILLSYAO-CVEARBPZSA-N 1 0 455.575 2.501 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001295382116 1063354938 /nfs/dbraw/zinc/35/49/38/1063354938.db2.gz YDEFFFQOFOWSBS-KRWDZBQOSA-N 1 0 488.036 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001295383455 1063356688 /nfs/dbraw/zinc/35/66/88/1063356688.db2.gz BNKXCGUVRXQZPT-OAQYLSRUSA-N 1 0 487.693 2.750 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC001291201647 1063357281 /nfs/dbraw/zinc/35/72/81/1063357281.db2.gz YTTHGUHXDAQOFO-WIYYLYMNSA-N 1 0 469.634 2.874 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](Oc2ccccn2)C1 ZINC001295384043 1063358385 /nfs/dbraw/zinc/35/83/85/1063358385.db2.gz DSDRGYBKJNQSBV-SFTDATJTSA-N 1 0 452.607 2.923 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295384367 1063359660 /nfs/dbraw/zinc/35/96/60/1063359660.db2.gz GRBGLSLWJAMLQO-PKOBYXMFSA-N 1 0 450.628 2.691 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291203848 1063360242 /nfs/dbraw/zinc/36/02/42/1063360242.db2.gz LQKWKKPOHZZLQA-GOSISDBHSA-N 1 0 460.648 2.602 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001295386149 1063362421 /nfs/dbraw/zinc/36/24/21/1063362421.db2.gz RDLGOODFVBQSFF-OAQYLSRUSA-N 1 0 466.634 2.902 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001295387287 1063364062 /nfs/dbraw/zinc/36/40/62/1063364062.db2.gz ZSUMSQBSORCJFS-VQTJNVASSA-N 1 0 456.591 2.845 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291205448 1063364126 /nfs/dbraw/zinc/36/41/26/1063364126.db2.gz JANXAEGNXJAAAN-LJQANCHMSA-N 1 0 460.648 2.691 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001291205764 1063365396 /nfs/dbraw/zinc/36/53/96/1063365396.db2.gz NOHDCULRIQQBLI-RTBURBONSA-N 1 0 492.690 2.749 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001291206090 1063367123 /nfs/dbraw/zinc/36/71/23/1063367123.db2.gz RYZFQMKFLDAQKS-SBHAEUEKSA-N 1 0 490.674 2.729 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCOC2(CCOCC2)C1 ZINC001295389870 1063368226 /nfs/dbraw/zinc/36/82/26/1063368226.db2.gz HPBJAIWQQFHBCG-FQEVSTJZSA-N 1 0 473.618 2.982 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001295390133 1063368822 /nfs/dbraw/zinc/36/88/22/1063368822.db2.gz PUHBWXJLGBMMLJ-HXUWFJFHSA-N 1 0 457.623 2.909 20 0 JFADRO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001291206522 1063369415 /nfs/dbraw/zinc/36/94/15/1063369415.db2.gz XWVFWKTXJPALDQ-FHWLQOOXSA-N 1 0 454.685 2.881 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001295390805 1063371418 /nfs/dbraw/zinc/37/14/18/1063371418.db2.gz AYRNRJCCKDYIES-NVXWUHKLSA-N 1 0 460.545 2.755 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccco1 ZINC001295390976 1063372138 /nfs/dbraw/zinc/37/21/38/1063372138.db2.gz CKSZABZSPSVVRG-KRWDZBQOSA-N 1 0 457.579 2.598 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccnn2C)CC1 ZINC001295390998 1063372874 /nfs/dbraw/zinc/37/28/74/1063372874.db2.gz CTQTXRZGPIHDSD-CBQOVEMMSA-N 1 0 459.639 2.850 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(c2ccnn2C)CC1 ZINC001295390999 1063372892 /nfs/dbraw/zinc/37/28/92/1063372892.db2.gz CTQTXRZGPIHDSD-VCOUNFBDSA-N 1 0 459.639 2.850 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccco1 ZINC001295391032 1063372950 /nfs/dbraw/zinc/37/29/50/1063372950.db2.gz DFDRSDAFRSTZNH-IBGZPJMESA-N 1 0 487.649 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295391267 1063374900 /nfs/dbraw/zinc/37/49/00/1063374900.db2.gz VUBUYQZDNQKIDT-NLFFAJNJSA-N 1 0 493.697 2.679 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295391265 1063375005 /nfs/dbraw/zinc/37/50/05/1063375005.db2.gz VUBUYQZDNQKIDT-NBGIEHNGSA-N 1 0 493.697 2.679 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001295392552 1063376994 /nfs/dbraw/zinc/37/69/94/1063376994.db2.gz YJFUMSPRANKJPG-LEWJYISDSA-N 1 0 480.661 2.940 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295392393 1063377133 /nfs/dbraw/zinc/37/71/33/1063377133.db2.gz KNNSWYZHAYCTNT-HXUWFJFHSA-N 1 0 473.622 2.540 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001295392554 1063377268 /nfs/dbraw/zinc/37/72/68/1063377268.db2.gz YJFUMSPRANKJPG-RTWAWAEBSA-N 1 0 480.661 2.940 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001295392985 1063377789 /nfs/dbraw/zinc/37/77/89/1063377789.db2.gz NUTXPWVGDZRJQK-SNGUERLCSA-N 1 0 475.609 2.969 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1)c1ccco1 ZINC001295393021 1063378535 /nfs/dbraw/zinc/37/85/35/1063378535.db2.gz OEZLJFHVZPYAAR-OAQYLSRUSA-N 1 0 499.660 2.931 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCOc1ccccc1 ZINC001291208309 1063378776 /nfs/dbraw/zinc/37/87/76/1063378776.db2.gz VVOQBOQPVKUZKA-WOJBJXKFSA-N 1 0 490.674 2.668 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398012 1063385050 /nfs/dbraw/zinc/38/50/50/1063385050.db2.gz AGWAZIFGIMJRTJ-RTBURBONSA-N 1 0 454.604 2.800 20 0 JFADRO C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291209860 1063385241 /nfs/dbraw/zinc/38/52/41/1063385241.db2.gz SHLDRGZQPQNZKK-FUHIMQAGSA-N 1 0 477.451 2.815 20 0 JFADRO C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291209862 1063385446 /nfs/dbraw/zinc/38/54/46/1063385446.db2.gz SHLDRGZQPQNZKK-MBOZVWFJSA-N 1 0 477.451 2.815 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1)c1ccsc1 ZINC001295398036 1063385573 /nfs/dbraw/zinc/38/55/73/1063385573.db2.gz AXAAZJUKMFOQJJ-QFIPXVFZSA-N 1 0 496.685 2.695 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1)c1ccsc1 ZINC001295399418 1063386193 /nfs/dbraw/zinc/38/61/93/1063386193.db2.gz HWMCQDYGZKFXOC-HXUWFJFHSA-N 1 0 470.647 2.915 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001295403999 1063389521 /nfs/dbraw/zinc/38/95/21/1063389521.db2.gz HOPCIGJKJOWLPV-FQEVSTJZSA-N 1 0 462.664 2.740 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 ZINC001295403997 1063389605 /nfs/dbraw/zinc/38/96/05/1063389605.db2.gz BKMPJBPZBXVJQV-DNRQZRRGSA-N 1 0 454.619 2.957 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210827 1063390126 /nfs/dbraw/zinc/39/01/26/1063390126.db2.gz JJFRTWFPXLUEIH-RDJZCZTQSA-N 1 0 483.480 2.835 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001295405040 1063392509 /nfs/dbraw/zinc/39/25/09/1063392509.db2.gz OJDPOGROIKHURC-RTBURBONSA-N 1 0 461.636 2.736 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)C1)c1ccsc1 ZINC001295405777 1063395087 /nfs/dbraw/zinc/39/50/87/1063395087.db2.gz IGQWOYYGXSCTPC-HXUWFJFHSA-N 1 0 453.616 2.687 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 ZINC001295406394 1063396581 /nfs/dbraw/zinc/39/65/81/1063396581.db2.gz KKIJPEUPNIEGBA-HSZRJFAPSA-N 1 0 476.629 2.808 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001295406817 1063396998 /nfs/dbraw/zinc/39/69/98/1063396998.db2.gz MSGKNQZMPLZLJX-RTWAWAEBSA-N 1 0 456.591 2.754 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001295406819 1063397036 /nfs/dbraw/zinc/39/70/36/1063397036.db2.gz MSGKNQZMPLZLJX-SFTDATJTSA-N 1 0 456.591 2.754 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407058 1063397659 /nfs/dbraw/zinc/39/76/59/1063397659.db2.gz PBCQIEDHCBPEDO-ICSRJNTNSA-N 1 0 459.595 2.657 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccco1 ZINC001295407706 1063399946 /nfs/dbraw/zinc/39/99/46/1063399946.db2.gz XOXVYFWFBBMZDI-LEWJYISDSA-N 1 0 458.607 2.953 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001291214460 1063415477 /nfs/dbraw/zinc/41/54/77/1063415477.db2.gz XEFXOTGLGWVWBV-PNCHPQGNSA-N 1 0 492.715 2.725 20 0 JFADRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001295417527 1063421327 /nfs/dbraw/zinc/42/13/27/1063421327.db2.gz BQEJXKBRYXZPQT-IBGZPJMESA-N 1 0 459.490 2.549 20 0 JFADRO COc1cc(-c2cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c3ccccc3n2)cc(OC)c1OC ZINC001295417773 1063421412 /nfs/dbraw/zinc/42/14/12/1063421412.db2.gz JFGSGTUMWVPKAX-RUZDIDTESA-N 1 0 453.539 2.970 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291215771 1063430605 /nfs/dbraw/zinc/43/06/05/1063430605.db2.gz VNKJIZCNAQXBSU-RBUKOAKNSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001291219821 1063447540 /nfs/dbraw/zinc/44/75/40/1063447540.db2.gz RZEJTUMSIJMQES-FOIQADDNSA-N 1 0 472.943 2.738 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001291219823 1063448320 /nfs/dbraw/zinc/44/83/20/1063448320.db2.gz RZEJTUMSIJMQES-QRWLVFNGSA-N 1 0 472.943 2.738 20 0 JFADRO C[C@@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001291222113 1063457246 /nfs/dbraw/zinc/45/72/46/1063457246.db2.gz IRILKZNCWPBFAD-KBPBESRZSA-N 1 0 479.398 2.996 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001295462249 1063461779 /nfs/dbraw/zinc/46/17/79/1063461779.db2.gz BQTVLXLGGDSFKR-HSZRJFAPSA-N 1 0 460.648 2.794 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(OC3CCOCC3)c2)CC1 ZINC001295463024 1063462781 /nfs/dbraw/zinc/46/27/81/1063462781.db2.gz HNXKWMCEDBIECA-UHFFFAOYSA-N 1 0 499.660 2.728 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295463044 1063463778 /nfs/dbraw/zinc/46/37/78/1063463778.db2.gz IHXMHGXHQWOGFJ-IRXDYDNUSA-N 1 0 472.725 2.731 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295463042 1063463807 /nfs/dbraw/zinc/46/38/07/1063463807.db2.gz IHXMHGXHQWOGFJ-DLBZAZTESA-N 1 0 472.725 2.731 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2nc(C)cc2C)CC1 ZINC001295463959 1063464665 /nfs/dbraw/zinc/46/46/65/1063464665.db2.gz VCTVQHLECARFIM-UHFFFAOYSA-N 1 0 456.639 2.728 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCC2)CC1 ZINC001295463963 1063464740 /nfs/dbraw/zinc/46/47/40/1063464740.db2.gz VHCVRODNFZDIDX-UHFFFAOYSA-N 1 0 482.633 2.639 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)NC)CC1 ZINC001295465100 1063469107 /nfs/dbraw/zinc/46/91/07/1063469107.db2.gz PKMGKASCISPZRK-UHFFFAOYSA-N 1 0 473.018 2.597 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001295465521 1063470350 /nfs/dbraw/zinc/47/03/50/1063470350.db2.gz YIIXQABVXDVTCH-UHFFFAOYSA-N 1 0 463.586 2.807 20 0 JFADRO C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291226209 1063472877 /nfs/dbraw/zinc/47/28/77/1063472877.db2.gz FAPGSXTWSFKVJQ-HLIPFELVSA-N 1 0 477.451 2.815 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCS(C)(=O)=O)CC1 ZINC001295470283 1063474728 /nfs/dbraw/zinc/47/47/28/1063474728.db2.gz ATMIGEVHLURODP-UHFFFAOYSA-N 1 0 458.632 2.792 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291229026 1063480507 /nfs/dbraw/zinc/48/05/07/1063480507.db2.gz BHEGZHPTIQJXRG-NEWSRXKRSA-N 1 0 470.540 2.796 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 ZINC001295475263 1063484611 /nfs/dbraw/zinc/48/46/11/1063484611.db2.gz QKBVJWKRYWVBBG-RUZDIDTESA-N 1 0 473.618 2.982 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnnn2C)CC1 ZINC001295475415 1063485778 /nfs/dbraw/zinc/48/57/78/1063485778.db2.gz VETVUQRGDOAEQB-UHFFFAOYSA-N 1 0 452.607 2.961 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC001295479245 1063487617 /nfs/dbraw/zinc/48/76/17/1063487617.db2.gz CKODHGUZZBSMOC-UHFFFAOYSA-N 1 0 496.635 2.939 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(N(C)C)c2)CC1 ZINC001295479630 1063488239 /nfs/dbraw/zinc/48/82/39/1063488239.db2.gz HGFQKEUVZYTNQV-UHFFFAOYSA-N 1 0 455.651 2.680 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cccc(C)c2)CC1 ZINC001295480027 1063489642 /nfs/dbraw/zinc/48/96/42/1063489642.db2.gz KIUDTKIJEWOERD-MHZLTWQESA-N 1 0 498.672 2.666 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(C)(C)O)CC1 ZINC001295481867 1063494906 /nfs/dbraw/zinc/49/49/06/1063494906.db2.gz BMBYQGXFJJSYKS-UHFFFAOYSA-N 1 0 479.629 2.645 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[C@@H]2CCOC2)CC1 ZINC001295482151 1063496838 /nfs/dbraw/zinc/49/68/38/1063496838.db2.gz DUPBLNMXQOGMNV-OAQYLSRUSA-N 1 0 454.619 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2occc2C)CC1 ZINC001295482304 1063499003 /nfs/dbraw/zinc/49/90/03/1063499003.db2.gz JBXOJZHHAGNPMS-UHFFFAOYSA-N 1 0 466.586 2.894 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001295482385 1063500982 /nfs/dbraw/zinc/50/09/82/1063500982.db2.gz MAJVHEOVFZCGCH-UHFFFAOYSA-N 1 0 497.575 2.615 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2csc(C)c2)CC1 ZINC001295482442 1063501451 /nfs/dbraw/zinc/50/14/51/1063501451.db2.gz OHUBVKFIFYQOAH-UHFFFAOYSA-N 1 0 453.616 2.749 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237738 1063504045 /nfs/dbraw/zinc/50/40/45/1063504045.db2.gz CJQITTLOAWRVEK-ZHALLVOQSA-N 1 0 456.595 2.569 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2C[C@@H]2C)CC1 ZINC001295482718 1063504973 /nfs/dbraw/zinc/50/49/73/1063504973.db2.gz YJEONSHAEINALY-RBUKOAKNSA-N 1 0 470.618 2.609 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291238118 1063505225 /nfs/dbraw/zinc/50/52/25/1063505225.db2.gz JWHRFSOEQWTPNX-GOSISDBHSA-N 1 0 470.622 2.913 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(F)cc2C)CC1 ZINC001295483096 1063507250 /nfs/dbraw/zinc/50/72/50/1063507250.db2.gz BTUKUXOQZJWFMB-QFIPXVFZSA-N 1 0 486.636 2.853 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](SC)C(C)(C)C)CC1 ZINC001295483461 1063507947 /nfs/dbraw/zinc/50/79/47/1063507947.db2.gz FLXUWZAQLMBCQU-LJQANCHMSA-N 1 0 474.679 2.503 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001295484323 1063509797 /nfs/dbraw/zinc/50/97/97/1063509797.db2.gz MDTMMYVXLWQTAQ-OAQYLSRUSA-N 1 0 498.672 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Cl)s2)CC1 ZINC001295484345 1063510671 /nfs/dbraw/zinc/51/06/71/1063510671.db2.gz MWPCBZTXVQBYLW-UHFFFAOYSA-N 1 0 491.065 2.627 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241790 1063513788 /nfs/dbraw/zinc/51/37/88/1063513788.db2.gz SPDDECAXAMUECV-NEWSRXKRSA-N 1 0 479.551 2.605 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccnc2)C(C)C)CC1 ZINC001295485525 1063514243 /nfs/dbraw/zinc/51/42/43/1063514243.db2.gz XQTKZEIOPPRQFZ-HSZRJFAPSA-N 1 0 493.660 2.504 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+](C)C2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291242045 1063514790 /nfs/dbraw/zinc/51/47/90/1063514790.db2.gz WHVKMHJLFRFJQO-MJGOQNOKSA-N 1 0 475.638 2.549 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001295487342 1063516219 /nfs/dbraw/zinc/51/62/19/1063516219.db2.gz JZJTXLMLQKKYCV-OAQYLSRUSA-N 1 0 488.702 2.769 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001295490495 1063516788 /nfs/dbraw/zinc/51/67/88/1063516788.db2.gz TUZBCDTVCMOLNM-UHFFFAOYSA-N 1 0 474.675 2.932 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(C)CCOCC2)CC1 ZINC001295490903 1063519486 /nfs/dbraw/zinc/51/94/86/1063519486.db2.gz IPJOLZOOPIYRNL-UHFFFAOYSA-N 1 0 498.672 2.973 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncccc2C)CC1 ZINC001295491061 1063521136 /nfs/dbraw/zinc/52/11/36/1063521136.db2.gz OPLULSIFMBPACZ-UHFFFAOYSA-N 1 0 495.603 2.738 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295491067 1063521346 /nfs/dbraw/zinc/52/13/46/1063521346.db2.gz OWIZIGQDGFFGDK-HSZRJFAPSA-N 1 0 498.672 2.683 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2Cc2ccc(Cl)s2)CC1 ZINC001295491252 1063521609 /nfs/dbraw/zinc/52/16/09/1063521609.db2.gz QZWFAYDSKIJUCS-UHFFFAOYSA-N 1 0 451.040 2.984 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(F)c2)CC1 ZINC001295491540 1063522341 /nfs/dbraw/zinc/52/23/41/1063522341.db2.gz TWXBLYAGGRQADS-UHFFFAOYSA-N 1 0 485.633 2.812 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)cc1 ZINC001295492242 1063525498 /nfs/dbraw/zinc/52/54/98/1063525498.db2.gz ACMRHDZKJRMOAX-HSZRJFAPSA-N 1 0 464.618 2.674 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291249358 1063525880 /nfs/dbraw/zinc/52/58/80/1063525880.db2.gz DIFYPJGFEWCVAJ-OALUTQOASA-N 1 0 467.680 2.696 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)cc1 ZINC001295493042 1063526835 /nfs/dbraw/zinc/52/68/35/1063526835.db2.gz FUGPPYRODFIDJB-UHFFFAOYSA-N 1 0 478.645 2.873 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001295494072 1063528256 /nfs/dbraw/zinc/52/82/56/1063528256.db2.gz YAFBEVOKIVYRCM-UHFFFAOYSA-N 1 0 485.658 2.681 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C)[C@@H](O)C2)c1 ZINC001295493928 1063528355 /nfs/dbraw/zinc/52/83/55/1063528355.db2.gz WOYOEOCNVQYDKE-KNQAVFIVSA-N 1 0 454.619 2.611 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001295494611 1063529956 /nfs/dbraw/zinc/52/99/56/1063529956.db2.gz RDPYBGYRRQAKIN-OAQYLSRUSA-N 1 0 468.627 2.854 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001295494662 1063530019 /nfs/dbraw/zinc/53/00/19/1063530019.db2.gz RZFVOLIMRARGPB-NZQKXSOJSA-N 1 0 495.672 2.812 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC001295499762 1063532894 /nfs/dbraw/zinc/53/28/94/1063532894.db2.gz FCFIEZQWVOJGIZ-HSZRJFAPSA-N 1 0 482.654 2.777 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COC)C1 ZINC001295500394 1063533875 /nfs/dbraw/zinc/53/38/75/1063533875.db2.gz LWHUMLNGFUJKRL-FQEVSTJZSA-N 1 0 454.619 2.877 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N(C)C[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001295500649 1063534378 /nfs/dbraw/zinc/53/43/78/1063534378.db2.gz QBIMPMASTKPIJX-JIPXPUAJSA-N 1 0 498.672 2.876 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001295500849 1063534401 /nfs/dbraw/zinc/53/44/01/1063534401.db2.gz SJVLRSCHPMHVPD-CNNODRBYSA-N 1 0 475.659 2.684 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccc(C(F)(F)F)n2)C1 ZINC001295502170 1063536048 /nfs/dbraw/zinc/53/60/48/1063536048.db2.gz BDFBRYLBOSFJLU-KRWDZBQOSA-N 1 0 494.566 2.734 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(F)c2)C1 ZINC001295502295 1063536603 /nfs/dbraw/zinc/53/66/03/1063536603.db2.gz DBYSBWKNPLFLBX-IBGZPJMESA-N 1 0 458.582 2.900 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(C)C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001295502628 1063537099 /nfs/dbraw/zinc/53/70/99/1063537099.db2.gz FYNFLCMXBQGYMG-LJQANCHMSA-N 1 0 462.664 2.868 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@](C)(O)c2ccccc2)C1 ZINC001295503017 1063537929 /nfs/dbraw/zinc/53/79/29/1063537929.db2.gz IZUGDZZYSYAKHU-HFZDXXHNSA-N 1 0 468.646 2.980 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295503830 1063539520 /nfs/dbraw/zinc/53/95/20/1063539520.db2.gz PJLQEFZIVXHQHK-QFIPXVFZSA-N 1 0 453.635 2.923 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295504542 1063540418 /nfs/dbraw/zinc/54/04/18/1063540418.db2.gz UCBKGAWCYGTTDQ-IDISGSTGSA-N 1 0 498.672 2.876 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 ZINC001295505233 1063540767 /nfs/dbraw/zinc/54/07/67/1063540767.db2.gz ZIVUXTAJGZNULW-CABCVRRESA-N 1 0 468.590 2.645 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2COCCO2)C1 ZINC001295505414 1063541378 /nfs/dbraw/zinc/54/13/78/1063541378.db2.gz DKMYHNKRDINEDM-AZUAARDMSA-N 1 0 459.591 2.546 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2COCCO2)C1 ZINC001295505415 1063541641 /nfs/dbraw/zinc/54/16/41/1063541641.db2.gz DKMYHNKRDINEDM-UYAOXDASSA-N 1 0 459.591 2.546 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001295511057 1063545567 /nfs/dbraw/zinc/54/55/67/1063545567.db2.gz AOEAAXHVNJOIBF-FQEVSTJZSA-N 1 0 450.591 2.853 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001295511808 1063546896 /nfs/dbraw/zinc/54/68/96/1063546896.db2.gz NOKKBTNUJGVKTN-HXUWFJFHSA-N 1 0 468.627 2.982 20 0 JFADRO C[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291256222 1063547698 /nfs/dbraw/zinc/54/76/98/1063547698.db2.gz RJWUNNDHXNAUSI-QWFCFKBJSA-N 1 0 478.638 2.684 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001295513156 1063547931 /nfs/dbraw/zinc/54/79/31/1063547931.db2.gz YWCNFIQWOWOOBD-HXUWFJFHSA-N 1 0 497.669 2.807 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 ZINC001295515414 1063549081 /nfs/dbraw/zinc/54/90/81/1063549081.db2.gz ANXZKBLJMWYCIE-ROUUACIJSA-N 1 0 479.622 2.544 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001295515495 1063549528 /nfs/dbraw/zinc/54/95/28/1063549528.db2.gz BBPLFOQVBJSXDN-QFIPXVFZSA-N 1 0 453.635 2.691 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(C)(C)OC)C1 ZINC001295515707 1063549547 /nfs/dbraw/zinc/54/95/47/1063549547.db2.gz FIRKTBDAIAHJJP-GOSISDBHSA-N 1 0 477.679 2.831 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001295516011 1063550065 /nfs/dbraw/zinc/55/00/65/1063550065.db2.gz DVEGLNOEPRZXRD-HGJUEJDCSA-N 1 0 467.680 2.552 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001295516101 1063551598 /nfs/dbraw/zinc/55/15/98/1063551598.db2.gz IYGIBANLPQETJC-ROUUACIJSA-N 1 0 495.550 2.782 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001295516412 1063552437 /nfs/dbraw/zinc/55/24/37/1063552437.db2.gz ICMJQMIVNJFEQT-UXHICEINSA-N 1 0 463.623 2.611 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001295516591 1063553035 /nfs/dbraw/zinc/55/30/35/1063553035.db2.gz JDBFNSPTXAOIDT-FYYLOGMGSA-N 1 0 468.646 2.895 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 ZINC001295517657 1063553961 /nfs/dbraw/zinc/55/39/61/1063553961.db2.gz MFMHDJRBBQAJEJ-RTBURBONSA-N 1 0 451.662 2.653 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(F)c(F)c2)C1 ZINC001295520826 1063557594 /nfs/dbraw/zinc/55/75/94/1063557594.db2.gz VVSBWGAKMAINEV-OXJNMPFZSA-N 1 0 462.545 2.755 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001295521288 1063558066 /nfs/dbraw/zinc/55/80/66/1063558066.db2.gz AXEVJNBIPPUOQB-OAQYLSRUSA-N 1 0 456.639 2.901 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001295523012 1063559743 /nfs/dbraw/zinc/55/97/43/1063559743.db2.gz OOORGAQOMUPZPC-OAQYLSRUSA-N 1 0 481.645 2.735 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001295523170 1063560063 /nfs/dbraw/zinc/56/00/63/1063560063.db2.gz PRDDSCVQBGAJQC-UHFFFAOYSA-N 1 0 481.645 2.645 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291264515 1063563458 /nfs/dbraw/zinc/56/34/58/1063563458.db2.gz DMLLSGKASKXAOC-IBGZPJMESA-N 1 0 474.675 2.788 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295525463 1063564241 /nfs/dbraw/zinc/56/42/41/1063564241.db2.gz XIBYJPCUZBMEJE-AZUAARDMSA-N 1 0 473.597 2.845 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 ZINC001295528753 1063566351 /nfs/dbraw/zinc/56/63/51/1063566351.db2.gz URESSCMEBFWSGN-UHFFFAOYSA-N 1 0 470.590 2.773 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295529190 1063566805 /nfs/dbraw/zinc/56/68/05/1063566805.db2.gz CMQCHPCFFRFZOF-XMMPIXPASA-N 1 0 456.591 2.553 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001295530905 1063567728 /nfs/dbraw/zinc/56/77/28/1063567728.db2.gz QJGLVKHFCJTBNY-UHFFFAOYSA-N 1 0 467.662 2.812 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001295532085 1063568825 /nfs/dbraw/zinc/56/88/25/1063568825.db2.gz BENOOSGRMZBPIF-VWLOTQADSA-N 1 0 464.618 2.825 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001295532872 1063569596 /nfs/dbraw/zinc/56/95/96/1063569596.db2.gz MKXLMDZVUULASO-GOSISDBHSA-N 1 0 458.611 2.913 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001295533107 1063569697 /nfs/dbraw/zinc/56/96/97/1063569697.db2.gz QABDJMZYYAXJJS-FQEVSTJZSA-N 1 0 451.623 2.911 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001295533445 1063569977 /nfs/dbraw/zinc/56/99/77/1063569977.db2.gz VGRSGORIPHWIBK-UHFFFAOYSA-N 1 0 476.629 2.667 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295533453 1063570000 /nfs/dbraw/zinc/57/00/00/1063570000.db2.gz VIGVMUZEGGBGCQ-SFHVURJKSA-N 1 0 460.627 2.856 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001295533410 1063570020 /nfs/dbraw/zinc/57/00/20/1063570020.db2.gz UHVXUUIGPSVNAU-LJQANCHMSA-N 1 0 477.679 2.831 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001295533368 1063570106 /nfs/dbraw/zinc/57/01/06/1063570106.db2.gz SQTJINPGFYHYGV-HXUWFJFHSA-N 1 0 479.633 2.778 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@](C)(CC)C1 ZINC001295533861 1063570587 /nfs/dbraw/zinc/57/05/87/1063570587.db2.gz GKYVCTNYYLUYKE-VWLOTQADSA-N 1 0 467.618 2.929 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295535454 1063572375 /nfs/dbraw/zinc/57/23/75/1063572375.db2.gz VCKVRKAZLSMZFM-OAQYLSRUSA-N 1 0 468.650 2.963 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCSCC2)CCN1C(=O)OC(C)(C)C ZINC001291268500 1063573341 /nfs/dbraw/zinc/57/33/41/1063573341.db2.gz YDWUBACFOZHLTP-IBGZPJMESA-N 1 0 487.674 2.758 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001295540517 1063575036 /nfs/dbraw/zinc/57/50/36/1063575036.db2.gz YNSXCUKERCITBP-LJQANCHMSA-N 1 0 453.591 2.638 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295539846 1063575061 /nfs/dbraw/zinc/57/50/61/1063575061.db2.gz STYVOPHYLORNHK-UHFFFAOYSA-N 1 0 466.634 2.553 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C)C1 ZINC001295541303 1063576248 /nfs/dbraw/zinc/57/62/48/1063576248.db2.gz JBVNFIYVLVSWLE-OALUTQOASA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295541658 1063576748 /nfs/dbraw/zinc/57/67/48/1063576748.db2.gz NDNKKJUGHFHQNB-JOCHJYFZSA-N 1 0 454.619 2.866 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001295543400 1063578200 /nfs/dbraw/zinc/57/82/00/1063578200.db2.gz HLABCYFZBNRVMI-IBGZPJMESA-N 1 0 465.602 2.519 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295543551 1063578536 /nfs/dbraw/zinc/57/85/36/1063578536.db2.gz JDVCLWSXOBUXTL-SLFFLAALSA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Br)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001295543416 1063578551 /nfs/dbraw/zinc/57/85/51/1063578551.db2.gz HYIHAPYZANLODM-KRWDZBQOSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001295546059 1063581285 /nfs/dbraw/zinc/58/12/85/1063581285.db2.gz WSMWLHWJLQUVIR-FQEVSTJZSA-N 1 0 479.629 2.827 20 0 JFADRO CC[NH+](CC)CCOCCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1C(C)(C)C ZINC001295550428 1063583206 /nfs/dbraw/zinc/58/32/06/1063583206.db2.gz GNWJGGBWFUIWSF-UHFFFAOYSA-N 1 0 463.671 2.662 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ncccc2F)CC1 ZINC001295550628 1063583640 /nfs/dbraw/zinc/58/36/40/1063583640.db2.gz KLIWJWYVSIOCGN-QGZVFWFLSA-N 1 0 461.586 2.729 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001295550642 1063583766 /nfs/dbraw/zinc/58/37/66/1063583766.db2.gz KWNQPIFPSMWXOT-HXUWFJFHSA-N 1 0 486.636 2.958 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2C1 ZINC001295550617 1063583795 /nfs/dbraw/zinc/58/37/95/1063583795.db2.gz KBGBOSHUCYGEJG-QGZVFWFLSA-N 1 0 458.607 2.727 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC001295551741 1063584700 /nfs/dbraw/zinc/58/47/00/1063584700.db2.gz VBKHJNGGHBCJRH-ZHALLVOQSA-N 1 0 466.627 2.752 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC=CCC1 ZINC001295551719 1063584719 /nfs/dbraw/zinc/58/47/19/1063584719.db2.gz UZDOIQUTBHNAFJ-HXUWFJFHSA-N 1 0 478.638 2.711 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001295554147 1063588000 /nfs/dbraw/zinc/58/80/00/1063588000.db2.gz RRVVLNWLHBHLIA-GPMSIDNRSA-N 1 0 480.009 2.698 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001295554320 1063588402 /nfs/dbraw/zinc/58/84/02/1063588402.db2.gz UZCTZDONKMMSCG-LJQANCHMSA-N 1 0 495.628 2.595 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC001295554404 1063588446 /nfs/dbraw/zinc/58/84/46/1063588446.db2.gz WOFBEIGOSBAVRY-IAGOWNOFSA-N 1 0 486.024 2.861 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295555042 1063589400 /nfs/dbraw/zinc/58/94/00/1063589400.db2.gz OVUVXRYZQLPHBP-GOSISDBHSA-N 1 0 465.606 2.527 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001295558998 1063590892 /nfs/dbraw/zinc/59/08/92/1063590892.db2.gz CBVPNNGWQFQFFO-QGZVFWFLSA-N 1 0 455.636 2.553 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001295558982 1063590909 /nfs/dbraw/zinc/59/09/09/1063590909.db2.gz BJFWTFWTQFVJKJ-ZHALLVOQSA-N 1 0 459.570 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295559064 1063591282 /nfs/dbraw/zinc/59/12/82/1063591282.db2.gz AYYAJZDNYRLNOD-MJGOQNOKSA-N 1 0 460.627 2.902 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001295559065 1063591457 /nfs/dbraw/zinc/59/14/57/1063591457.db2.gz BBPZSZWGLVZJMS-DNVJHFABSA-N 1 0 498.720 2.831 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](OC)C1 ZINC001295559472 1063592500 /nfs/dbraw/zinc/59/25/00/1063592500.db2.gz IDCMCHJMAFIAHB-QZTJIDSGSA-N 1 0 463.652 2.584 20 0 JFADRO CCn1nc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001295560711 1063593944 /nfs/dbraw/zinc/59/39/44/1063593944.db2.gz YBPASQNESHMBTO-OPYAIIAOSA-N 1 0 467.618 2.612 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001295562887 1063595872 /nfs/dbraw/zinc/59/58/72/1063595872.db2.gz IKIWRPCNJBBFTL-QGZVFWFLSA-N 1 0 481.567 2.889 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001295564251 1063597420 /nfs/dbraw/zinc/59/74/20/1063597420.db2.gz SIVOQGMTNYGUEY-PLMTUMEDSA-N 1 0 497.612 2.767 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001295564229 1063597454 /nfs/dbraw/zinc/59/74/54/1063597454.db2.gz SDJKCJWGZGDCNM-FGZHOGPDSA-N 1 0 488.702 2.854 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1F ZINC001295564631 1063597963 /nfs/dbraw/zinc/59/79/63/1063597963.db2.gz UVFLNUOTJHBFHN-OPYAIIAOSA-N 1 0 496.653 2.678 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001295565478 1063598887 /nfs/dbraw/zinc/59/88/87/1063598887.db2.gz JSIRZCLBNTVSLH-OAQYLSRUSA-N 1 0 459.683 2.801 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001295566204 1063600066 /nfs/dbraw/zinc/60/00/66/1063600066.db2.gz RYJNYBZZNZJQDA-SFHLNBCPSA-N 1 0 472.638 2.648 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001295566898 1063601093 /nfs/dbraw/zinc/60/10/93/1063601093.db2.gz WXOIPOYLFQLCMW-UYAOXDASSA-N 1 0 490.674 2.602 20 0 JFADRO C[C@H]1OCC[C@]12CN(c1nnc(COc3ccc(Cl)cc3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291280165 1063601758 /nfs/dbraw/zinc/60/17/58/1063601758.db2.gz BBNPFGYBLOMUGM-IECBHUPTSA-N 1 0 494.036 2.861 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001291280297 1063602484 /nfs/dbraw/zinc/60/24/84/1063602484.db2.gz DCYHWJPPUJACEU-QUCCMNQESA-N 1 0 464.010 2.973 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001295569657 1063604187 /nfs/dbraw/zinc/60/41/87/1063604187.db2.gz VBCAJJXSTXMKDH-TZIWHRDSSA-N 1 0 487.674 2.650 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295570323 1063605929 /nfs/dbraw/zinc/60/59/29/1063605929.db2.gz NHNAVIYKZTXSQN-AQNXPRMDSA-N 1 0 491.681 2.870 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295572921 1063610792 /nfs/dbraw/zinc/61/07/92/1063610792.db2.gz PMFNIJHMDYCLMI-DNRQZRRGSA-N 1 0 476.666 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nnc1C(C)(C)C ZINC001295572969 1063610815 /nfs/dbraw/zinc/61/08/15/1063610815.db2.gz QXOKHIAOGBICDL-GOSISDBHSA-N 1 0 480.654 2.956 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCSCC1 ZINC001295577989 1063616339 /nfs/dbraw/zinc/61/63/39/1063616339.db2.gz AJEOGYAFCJMOPY-SFHVURJKSA-N 1 0 450.559 2.583 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001295583502 1063627218 /nfs/dbraw/zinc/62/72/18/1063627218.db2.gz HVJSPOIWSWTRON-SIKLNZKXSA-N 1 0 481.645 2.689 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(Cn2nc(C)cc2C)n1CC[NH+]1CCCC1 ZINC001295583459 1063627274 /nfs/dbraw/zinc/62/72/74/1063627274.db2.gz CVYHOUYGBSWGJM-UHFFFAOYSA-N 1 0 478.645 2.964 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291287460 1063639743 /nfs/dbraw/zinc/63/97/43/1063639743.db2.gz BVSUHHVXYKZYQR-ZCNNSNEGSA-N 1 0 488.608 2.760 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287604 1063640457 /nfs/dbraw/zinc/64/04/57/1063640457.db2.gz FJUOICSKIRWKPX-QRVBRYPASA-N 1 0 480.617 2.535 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C[C@H](C)O1 ZINC001291287725 1063642420 /nfs/dbraw/zinc/64/24/20/1063642420.db2.gz GZUJXXQQFLZFBC-KDURUIRLSA-N 1 0 491.036 2.588 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C(=O)N2CCCC2)n1CCOCC(F)F ZINC001291287773 1063643071 /nfs/dbraw/zinc/64/30/71/1063643071.db2.gz HOTHTPVUPMDJMG-SFHVURJKSA-N 1 0 462.545 2.507 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001295598920 1063643042 /nfs/dbraw/zinc/64/30/42/1063643042.db2.gz FHHGRZXDHAGWAJ-UGKGYDQZSA-N 1 0 470.618 2.765 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2F)C[C@H](C)O1 ZINC001291287936 1063644198 /nfs/dbraw/zinc/64/41/98/1063644198.db2.gz KIJLFMKWVSMWIY-BGYRXZFFSA-N 1 0 488.608 2.668 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(CC(C)(C)C)n1CC1(C(N)=O)CCOCC1 ZINC001291287979 1063644768 /nfs/dbraw/zinc/64/47/68/1063644768.db2.gz LDFKTNQGRAJWNS-FQEVSTJZSA-N 1 0 468.646 2.860 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288007 1063646051 /nfs/dbraw/zinc/64/60/51/1063646051.db2.gz LTAOZGFXXIQCGZ-MHORFTMASA-N 1 0 484.692 2.647 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@]3(CC=CCC3)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288152 1063646706 /nfs/dbraw/zinc/64/67/06/1063646706.db2.gz NTGWHTNDJQXWIL-YOEKFXIASA-N 1 0 494.706 2.714 20 0 JFADRO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccs1 ZINC001291288258 1063647800 /nfs/dbraw/zinc/64/78/00/1063647800.db2.gz PFVAZRAWJLOYKD-GUDVDZBRSA-N 1 0 475.663 2.710 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C2CCC2)n1CC(=O)NCC(F)(F)F ZINC001291288797 1063652505 /nfs/dbraw/zinc/65/25/05/1063652505.db2.gz YMAAHLDIYJLLHE-MRXNPFEDSA-N 1 0 450.509 2.935 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291288958 1063653146 /nfs/dbraw/zinc/65/31/46/1063653146.db2.gz BGFYJOVJZGQZMX-VSKRKVRLSA-N 1 0 483.661 2.828 20 0 JFADRO C[C@H](CN(C)c1nnc(-c2cnn(C)c2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1nccs1 ZINC001291289014 1063653953 /nfs/dbraw/zinc/65/39/53/1063653953.db2.gz CFOAQIVOROKYEK-KZNAEPCWSA-N 1 0 458.636 2.874 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291289072 1063653976 /nfs/dbraw/zinc/65/39/76/1063653976.db2.gz DERPTRWKKMNRSX-GBESFXJTSA-N 1 0 473.622 2.876 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291289626 1063657893 /nfs/dbraw/zinc/65/78/93/1063657893.db2.gz MZMVRDCDWWXPDJ-WOJBJXKFSA-N 1 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460.667 2.815 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2F)C[C@H](C)O1 ZINC001291290742 1063665054 /nfs/dbraw/zinc/66/50/54/1063665054.db2.gz FIWLSMPFFCWRDS-KDURUIRLSA-N 1 0 455.582 2.996 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291291487 1063670917 /nfs/dbraw/zinc/67/09/17/1063670917.db2.gz QAUNBLKYIAOWJS-RTBURBONSA-N 1 0 459.639 2.962 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2c[nH]c3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291291513 1063671053 /nfs/dbraw/zinc/67/10/53/1063671053.db2.gz QOTDXMYQXBXBQQ-KZNAEPCWSA-N 1 0 453.591 2.626 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3noc4c3COCC4)nnc2N(C)CCC(F)F)C[C@H](C)O1 ZINC001291291982 1063673607 /nfs/dbraw/zinc/67/36/07/1063673607.db2.gz XDLQAFZAAFWFCN-GASCZTMLSA-N 1 0 454.522 2.597 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)C[C@H](C)O1 ZINC001291292135 1063673976 /nfs/dbraw/zinc/67/39/76/1063673976.db2.gz ZEQHKLOBIDERSD-BGYRXZFFSA-N 1 0 475.682 2.750 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291292411 1063675804 /nfs/dbraw/zinc/67/58/04/1063675804.db2.gz DBNXBXHMWJXXMH-OALUTQOASA-N 1 0 475.037 2.690 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cscn2)C[C@@H](C)O1 ZINC001291292618 1063676956 /nfs/dbraw/zinc/67/69/56/1063676956.db2.gz HALNRDGARPBRQP-IAGOWNOFSA-N 1 0 489.671 2.862 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cscn2)C[C@H](C)O1 ZINC001291292617 1063676979 /nfs/dbraw/zinc/67/69/79/1063676979.db2.gz HALNRDGARPBRQP-CALCHBBNSA-N 1 0 489.671 2.862 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCO1 ZINC001291292850 1063679138 /nfs/dbraw/zinc/67/91/38/1063679138.db2.gz KIDPTJMVEPNULY-HXUWFJFHSA-N 1 0 477.698 2.998 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC001291293043 1063680924 /nfs/dbraw/zinc/68/09/24/1063680924.db2.gz NWAONSIMIYMBLW-WOJBJXKFSA-N 1 0 495.594 2.838 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CCc3ccccc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001291293116 1063681968 /nfs/dbraw/zinc/68/19/68/1063681968.db2.gz PHMZFJVUIVLFLC-NHCUHLMSSA-N 1 0 470.662 2.914 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CN3CCCC3=O)nnc2N(C)CCc2cccs2)C[C@H](C)O1 ZINC001291293480 1063685235 /nfs/dbraw/zinc/68/52/35/1063685235.db2.gz VQFGHQJOCYREFN-KDURUIRLSA-N 1 0 460.648 2.640 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)CCCO1 ZINC001291293853 1063686702 /nfs/dbraw/zinc/68/67/02/1063686702.db2.gz AMJLIRBLUYWFQA-MRXNPFEDSA-N 1 0 454.570 2.570 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(N3CCC(C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291294203 1063688477 /nfs/dbraw/zinc/68/84/77/1063688477.db2.gz GJDUSMKLWJDZDF-BGYRXZFFSA-N 1 0 460.667 2.914 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCCOCC2)CCCO1 ZINC001291294214 1063688650 /nfs/dbraw/zinc/68/86/50/1063688650.db2.gz GOUZUTWWCFZMRN-NJYVYQBISA-N 1 0 492.665 2.776 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291294611 1063690445 /nfs/dbraw/zinc/69/04/45/1063690445.db2.gz MSXHAWNQEVEYMK-UKPGDCENSA-N 1 0 490.693 2.788 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294719 1063691434 /nfs/dbraw/zinc/69/14/34/1063691434.db2.gz OICQNXKVIGSUCR-VQIMIIECSA-N 1 0 464.408 2.780 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294764 1063691522 /nfs/dbraw/zinc/69/15/22/1063691522.db2.gz PEJPPPNSPCFCIT-KBPBESRZSA-N 1 0 483.361 2.762 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294717 1063691559 /nfs/dbraw/zinc/69/15/59/1063691559.db2.gz OICQNXKVIGSUCR-LPHOPBHVSA-N 1 0 464.408 2.780 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F ZINC001291295082 1063693268 /nfs/dbraw/zinc/69/32/68/1063693268.db2.gz ULPXQASAWPHIHL-HUUCEWRRSA-N 1 0 485.486 2.515 20 0 JFADRO C[C@H]1C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291295293 1063694404 /nfs/dbraw/zinc/69/44/04/1063694404.db2.gz XDZLLBUOPNQLBL-SQXWHWBNSA-N 1 0 490.693 2.788 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccccc2F)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001295656665 1063699462 /nfs/dbraw/zinc/69/94/62/1063699462.db2.gz IOBGZWPVCMTGFT-UHFFFAOYSA-N 1 0 454.598 2.870 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001295658927 1063700609 /nfs/dbraw/zinc/70/06/09/1063700609.db2.gz XRNWDINGYBKHHO-PMACEKPBSA-N 1 0 451.633 2.504 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001291301491 1063709491 /nfs/dbraw/zinc/70/94/91/1063709491.db2.gz DMKXYJUOWQLHCP-XLIONFOSSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291301945 1063710764 /nfs/dbraw/zinc/71/07/64/1063710764.db2.gz NESDNGCAEMQVFX-CABCVRRESA-N 1 0 470.437 2.841 20 0 JFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC001295695815 1063724132 /nfs/dbraw/zinc/72/41/32/1063724132.db2.gz JWIMOIAABNIDTR-UHFFFAOYSA-N 1 0 450.992 2.778 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001295713669 1063731838 /nfs/dbraw/zinc/73/18/38/1063731838.db2.gz GZZCQMWPTLQBBY-DHIUTWEWSA-N 1 0 484.645 2.713 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(C(=O)NC(C)C)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001295715874 1063733350 /nfs/dbraw/zinc/73/33/50/1063733350.db2.gz YMOQRQZUESCBON-GMAHTHKFSA-N 1 0 483.661 2.632 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)C(C)C ZINC001295723231 1063738654 /nfs/dbraw/zinc/73/86/54/1063738654.db2.gz SRRMOMLRPVLAHJ-IBGZPJMESA-N 1 0 477.679 2.892 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCC2)C1)CC(F)(F)F ZINC001295748258 1063753523 /nfs/dbraw/zinc/75/35/23/1063753523.db2.gz KHRONAZSOHRLDA-GOSISDBHSA-N 1 0 485.599 2.709 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(-c2cnn(C)c2)n1C[C@H](C)[NH+](C)C ZINC001295748555 1063754053 /nfs/dbraw/zinc/75/40/53/1063754053.db2.gz MEOLNAMKTPANAU-IBGZPJMESA-N 1 0 451.623 2.767 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001295759527 1063763633 /nfs/dbraw/zinc/76/36/33/1063763633.db2.gz DICKZQIURPNCGF-RBUKOAKNSA-N 1 0 485.599 2.816 20 0 JFADRO C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291322893 1063768427 /nfs/dbraw/zinc/76/84/27/1063768427.db2.gz BVAQSJDMRNVIEK-SBUREZEXSA-N 1 0 464.010 2.971 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C1)CC(F)(F)F ZINC001295763753 1063769409 /nfs/dbraw/zinc/76/94/09/1063769409.db2.gz PKWAAZSSLIFJJW-GOSISDBHSA-N 1 0 496.582 2.556 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001295764963 1063771989 /nfs/dbraw/zinc/77/19/89/1063771989.db2.gz XUFLSDLHHGJARX-JKSUJKDBSA-N 1 0 485.555 2.666 20 0 JFADRO 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CCN1C(=O)[C@H]2CN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)CCN2C1=O ZINC001295892126 1063944080 /nfs/dbraw/zinc/94/40/80/1063944080.db2.gz FIWXMGITCVNIJI-HXUWFJFHSA-N 1 0 459.639 2.602 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)CCN2C1=O ZINC001295892609 1063944697 /nfs/dbraw/zinc/94/46/97/1063944697.db2.gz GWUBRFIYKXPUSW-SFTDATJTSA-N 1 0 467.618 2.561 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCCCC3)CCN2C1=O ZINC001295892637 1063945079 /nfs/dbraw/zinc/94/50/79/1063945079.db2.gz HHSAYJKOMJZXII-GOSISDBHSA-N 1 0 459.639 2.604 20 0 JFADRO CCn1cc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896759 1063950168 /nfs/dbraw/zinc/95/01/68/1063950168.db2.gz KDQVSEHMATWWCN-OFNKIYASSA-N 1 0 494.644 2.731 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291396317 1063951499 /nfs/dbraw/zinc/95/14/99/1063951499.db2.gz WLYOJHBGRQCCJV-UPUUWEMXSA-N 1 0 460.667 2.975 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(-c4cc(OC)cc(OC)c4)n3C[C@H](C)[NH+](C)C)CCO2)cn1 ZINC001295903340 1063958370 /nfs/dbraw/zinc/95/83/70/1063958370.db2.gz SAHGTTGASBOUIP-HTAPYJJXSA-N 1 0 469.590 2.707 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291399325 1063958393 /nfs/dbraw/zinc/95/83/93/1063958393.db2.gz JPOOMOFLBPZRIP-NBGIEHNGSA-N 1 0 466.634 2.507 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291400059 1063959835 /nfs/dbraw/zinc/95/98/35/1063959835.db2.gz SRXNHUYDHDZRBJ-FNZWTVRRSA-N 1 0 486.636 2.550 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCSCC1 ZINC001291402090 1063964523 /nfs/dbraw/zinc/96/45/23/1063964523.db2.gz SJHWMPAQQJKLAS-OFVILXPXSA-N 1 0 472.703 2.993 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001291403111 1063967377 /nfs/dbraw/zinc/96/73/77/1063967377.db2.gz GTBGQAJBUHNNAN-HMHJJOSWSA-N 1 0 473.666 2.626 20 0 JFADRO 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20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001295978757 1064026469 /nfs/dbraw/zinc/02/64/69/1064026469.db2.gz LAPPRNJWDGJCRV-BCQCSXDESA-N 1 0 498.672 2.976 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001295978767 1064026538 /nfs/dbraw/zinc/02/65/38/1064026538.db2.gz LAPPRNJWDGJCRV-VHSZZVNMSA-N 1 0 498.672 2.976 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029422 /nfs/dbraw/zinc/02/94/22/1064029422.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 1 0 497.688 2.604 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@H]1C ZINC001295980707 1064031009 /nfs/dbraw/zinc/03/10/09/1064031009.db2.gz PRZBTTOQBBNWPV-CEXWTWQISA-N 1 0 487.674 2.840 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c[nH]c3cc(C)ccc23)C[C@@H]1C ZINC001295980709 1064031040 /nfs/dbraw/zinc/03/10/40/1064031040.db2.gz 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CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001291482675 1064038608 /nfs/dbraw/zinc/03/86/08/1064038608.db2.gz UHWIDTAOJWSADX-IFMALSPDSA-N 1 0 460.667 2.867 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(Cl)s2)C[C@@H]1C ZINC001295983535 1064039502 /nfs/dbraw/zinc/03/95/02/1064039502.db2.gz WTQIUMDBCUNFGW-SOUVJXGZSA-N 1 0 475.084 2.765 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001295984241 1064041791 /nfs/dbraw/zinc/04/17/91/1064041791.db2.gz YITHLWMBGBKEHH-FGTMMUONSA-N 1 0 480.704 2.886 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295984432 1064041826 /nfs/dbraw/zinc/04/18/26/1064041826.db2.gz MRONBGSVJFPIOP-JKSUJKDBSA-N 1 0 457.529 2.794 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291484778 1064041849 /nfs/dbraw/zinc/04/18/49/1064041849.db2.gz FBCUVBVNKUNNKW-HFJWLAOPSA-N 1 0 486.636 2.839 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295984555 1064042471 /nfs/dbraw/zinc/04/24/71/1064042471.db2.gz ZUNHNORDWFWMRD-ULQDDVLXSA-N 1 0 485.054 2.540 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001295987339 1064043445 /nfs/dbraw/zinc/04/34/45/1064043445.db2.gz ZWIONJSETILBRB-BJLQDIEVSA-N 1 0 459.591 2.687 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@@H]2COCCO2)C[C@@H]1C ZINC001295987340 1064043508 /nfs/dbraw/zinc/04/35/08/1064043508.db2.gz ZWIONJSETILBRB-CMKODMSKSA-N 1 0 459.591 2.687 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@H]1C ZINC001295989548 1064044528 /nfs/dbraw/zinc/04/45/28/1064044528.db2.gz BNQMJPDCIGJTSF-RTBURBONSA-N 1 0 463.586 2.698 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295990173 1064044983 /nfs/dbraw/zinc/04/49/83/1064044983.db2.gz FGZJOXPOJXMEQL-DLBZAZTESA-N 1 0 489.671 2.607 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291493628 1064046574 /nfs/dbraw/zinc/04/65/74/1064046574.db2.gz NPULEXKAEWGADB-UUOWRZLLSA-N 1 0 459.639 2.728 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291494367 1064047363 /nfs/dbraw/zinc/04/73/63/1064047363.db2.gz YVENHODGMMXHBW-XSSDXNQZSA-N 1 0 457.579 2.502 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001295992907 1064047901 /nfs/dbraw/zinc/04/79/01/1064047901.db2.gz BKEIWXIGQWKEQT-BURNTYAHSA-N 1 0 492.665 2.727 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001295993522 1064048975 /nfs/dbraw/zinc/04/89/75/1064048975.db2.gz IJRYMAOWPSTXNQ-DLBZAZTESA-N 1 0 456.595 2.949 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001295993487 1064048999 /nfs/dbraw/zinc/04/89/99/1064048999.db2.gz HVJCVUMMHRLLTK-UXHICEINSA-N 1 0 464.618 2.822 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001295993554 1064049240 /nfs/dbraw/zinc/04/92/40/1064049240.db2.gz DBLDQAIIUXXABW-ACRUOGEOSA-N 1 0 465.639 2.651 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2(OCCOC)CCOCC2)C[C@@H]1C ZINC001295993558 1064049404 /nfs/dbraw/zinc/04/94/04/1064049404.db2.gz DBLDQAIIUXXABW-PCCBWWKXSA-N 1 0 465.639 2.651 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001295994439 1064050109 /nfs/dbraw/zinc/05/01/09/1064050109.db2.gz GOVPGYPKQJILGR-MOPGFXCFSA-N 1 0 462.664 2.764 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@H]1C ZINC001295995186 1064051048 /nfs/dbraw/zinc/05/10/48/1064051048.db2.gz XPZYOUDDWQOGLR-CVEARBPZSA-N 1 0 474.411 2.703 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@@H]1C ZINC001295995770 1064051481 /nfs/dbraw/zinc/05/14/81/1064051481.db2.gz JKKFMJSHAIOOOT-OALUTQOASA-N 1 0 456.639 2.532 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996169 1064052233 /nfs/dbraw/zinc/05/22/33/1064052233.db2.gz MPDXMUYSAGJQJW-SJORKVTESA-N 1 0 469.590 2.672 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996818 1064052678 /nfs/dbraw/zinc/05/26/78/1064052678.db2.gz NSOGWSCBTBSAHP-QZTJIDSGSA-N 1 0 481.601 2.923 20 0 JFADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001295997517 1064053689 /nfs/dbraw/zinc/05/36/89/1064053689.db2.gz RIFJCNWDGROQFZ-FWKCKQQBSA-N 1 0 494.750 2.857 20 0 JFADRO CCN1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295997519 1064054242 /nfs/dbraw/zinc/05/42/42/1064054242.db2.gz RIFJCNWDGROQFZ-MFKCLSPESA-N 1 0 494.750 2.857 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291503471 1064054527 /nfs/dbraw/zinc/05/45/27/1064054527.db2.gz ZDKPKKFLMOCUPA-IBGZPJMESA-N 1 0 454.619 2.682 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(C)C(C)=O)CC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291505229 1064056535 /nfs/dbraw/zinc/05/65/35/1064056535.db2.gz FSZLYPWCYAAWKJ-FQEVSTJZSA-N 1 0 482.677 2.824 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001296001197 1064057022 /nfs/dbraw/zinc/05/70/22/1064057022.db2.gz GIDYNTAKJWDSMI-PMACEKPBSA-N 1 0 453.635 2.831 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001296003665 1064059383 /nfs/dbraw/zinc/05/93/83/1064059383.db2.gz VHXROIAJGRGEDF-ZWKOTPCHSA-N 1 0 451.575 2.643 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001291508765 1064060197 /nfs/dbraw/zinc/06/01/97/1064060197.db2.gz QXBIIORMCBRWKN-FQEVSTJZSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(=O)NC1CCCCC1 ZINC001291509643 1064060942 /nfs/dbraw/zinc/06/09/42/1064060942.db2.gz HPJLKJYYZNCLKH-RBBKRZOGSA-N 1 0 459.683 2.845 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296007632 1064061149 /nfs/dbraw/zinc/06/11/49/1064061149.db2.gz FILVQVXZZJCZOS-MOPGFXCFSA-N 1 0 466.634 2.598 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC1(C(N)=O)CCCC1 ZINC001291509862 1064061241 /nfs/dbraw/zinc/06/12/41/1064061241.db2.gz KNDVKIFMADRHBO-HXUWFJFHSA-N 1 0 459.683 2.832 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001291510950 1064062666 /nfs/dbraw/zinc/06/26/66/1064062666.db2.gz HHGLTVAATMPBOK-UWJYYQICSA-N 1 0 460.598 2.965 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296009601 1064065351 /nfs/dbraw/zinc/06/53/51/1064065351.db2.gz HDSIVMFPBWTKHX-UXHICEINSA-N 1 0 475.659 2.909 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001296009661 1064065727 /nfs/dbraw/zinc/06/57/27/1064065727.db2.gz ICJXELNFSJVYDW-OALUTQOASA-N 1 0 467.622 2.780 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001291514018 1064066660 /nfs/dbraw/zinc/06/66/60/1064066660.db2.gz LBBHBAMNDYTNAT-MAUKXSAKSA-N 1 0 454.666 2.674 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@H]1C ZINC001296009802 1064066991 /nfs/dbraw/zinc/06/69/91/1064066991.db2.gz IGSKEPOUGHRQFL-QZTJIDSGSA-N 1 0 458.582 2.961 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001296009810 1064067015 /nfs/dbraw/zinc/06/70/15/1064067015.db2.gz IHENTXCBQOWWQC-GJZGRUSLSA-N 1 0 474.660 2.591 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296010012 1064067308 /nfs/dbraw/zinc/06/73/08/1064067308.db2.gz JQVQLAADWZVIHE-VQTJNVASSA-N 1 0 474.654 2.973 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001291514428 1064067562 /nfs/dbraw/zinc/06/75/62/1064067562.db2.gz SNBQGVRARBNONI-IEBWSBKVSA-N 1 0 454.685 2.820 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001291514429 1064067613 /nfs/dbraw/zinc/06/76/13/1064067613.db2.gz SNBQGVRARBNONI-MJGOQNOKSA-N 1 0 454.685 2.820 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296010831 1064069648 /nfs/dbraw/zinc/06/96/48/1064069648.db2.gz MJNHCLWDAFNKMR-RTBURBONSA-N 1 0 468.577 2.971 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001296010878 1064070050 /nfs/dbraw/zinc/07/00/50/1064070050.db2.gz MZXMNDBUIYLGBC-VQTJNVASSA-N 1 0 496.660 2.898 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296010867 1064070210 /nfs/dbraw/zinc/07/02/10/1064070210.db2.gz MYOKQDXRPVEYKO-RTBURBONSA-N 1 0 499.626 2.984 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCCCC[NH+]1CCCCC1 ZINC001291521521 1064073544 /nfs/dbraw/zinc/07/35/44/1064073544.db2.gz OJAHGLJCQUKFPT-IBGZPJMESA-N 1 0 459.639 2.968 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296013610 1064074595 /nfs/dbraw/zinc/07/45/95/1064074595.db2.gz OIAVSHUQTYOLNI-MXBUBSDBSA-N 1 0 476.666 2.760 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001296014526 1064075985 /nfs/dbraw/zinc/07/59/85/1064075985.db2.gz YCIVHOHWYKHTTD-ZWKOTPCHSA-N 1 0 473.622 2.671 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@@H]1C ZINC001296015210 1064076744 /nfs/dbraw/zinc/07/67/44/1064076744.db2.gz ZVBQFGKTCVSMJK-FCHUYYIVSA-N 1 0 478.645 2.765 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc(C(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)Oc2ccccc21 ZINC001296016918 1064078222 /nfs/dbraw/zinc/07/82/22/1064078222.db2.gz VWJZHKLLRVUOCO-SFTDATJTSA-N 1 0 456.635 2.972 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296017261 1064078724 /nfs/dbraw/zinc/07/87/24/1064078724.db2.gz XDNDXMMQPORKAC-MOPGFXCFSA-N 1 0 491.658 2.609 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2CCS(=O)(=O)CC2)C[C@H]1C ZINC001296017264 1064078837 /nfs/dbraw/zinc/07/88/37/1064078837.db2.gz XDNDXMMQPORKAC-RTBURBONSA-N 1 0 491.658 2.609 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)C(C)C)Oc2ccccc21 ZINC001296017481 1064079658 /nfs/dbraw/zinc/07/96/58/1064079658.db2.gz GJRKPHRXTLDTBT-PMACEKPBSA-N 1 0 469.634 2.683 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296017992 1064080201 /nfs/dbraw/zinc/08/02/01/1064080201.db2.gz KMDLBIBJAJWCAY-QGZVFWFLSA-N 1 0 473.588 2.611 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001291539033 1064080252 /nfs/dbraw/zinc/08/02/52/1064080252.db2.gz YZGCSIIWHQTARS-MSOLQXFVSA-N 1 0 480.704 2.677 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001296019388 1064081082 /nfs/dbraw/zinc/08/10/82/1064081082.db2.gz XEHXEFVRHRGFBI-HXUWFJFHSA-N 1 0 481.645 2.936 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001291539691 1064081656 /nfs/dbraw/zinc/08/16/56/1064081656.db2.gz HYEYQYFUUHIHBE-QUCCMNQESA-N 1 0 452.669 2.670 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001296021432 1064081980 /nfs/dbraw/zinc/08/19/80/1064081980.db2.gz HHEHXDXFCHHDQL-QUCCMNQESA-N 1 0 454.685 2.883 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001296021231 1064081988 /nfs/dbraw/zinc/08/19/88/1064081988.db2.gz GXKUJUZAHDDVSM-OAHLLOKOSA-N 1 0 478.439 2.825 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296024571 1064084342 /nfs/dbraw/zinc/08/43/42/1064084342.db2.gz BYTQNTQBYZPKGL-NRFANRHFSA-N 1 0 475.659 2.947 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296024578 1064084450 /nfs/dbraw/zinc/08/44/50/1064084450.db2.gz CAXIXOLAPWTDDU-SFTDATJTSA-N 1 0 467.680 2.698 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cn3nc(C)cc3C)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296026646 1064086599 /nfs/dbraw/zinc/08/65/99/1064086599.db2.gz GTFRMGYJSLXAMH-UHFFFAOYSA-N 1 0 470.666 2.566 20 0 JFADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296028344 1064087258 /nfs/dbraw/zinc/08/72/58/1064087258.db2.gz YKQQDDCKBPHWPZ-SJLPKXTDSA-N 1 0 472.556 2.679 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001296030462 1064087619 /nfs/dbraw/zinc/08/76/19/1064087619.db2.gz DEOALLYGMCZJTA-QFIPXVFZSA-N 1 0 461.582 2.970 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3cccc(C)c3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001296030476 1064088025 /nfs/dbraw/zinc/08/80/25/1064088025.db2.gz DQVUQXQLNGIPMG-UHFFFAOYSA-N 1 0 469.634 2.749 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001296031026 1064088712 /nfs/dbraw/zinc/08/87/12/1064088712.db2.gz OYQZJWLFURJFEQ-GOSISDBHSA-N 1 0 470.593 2.997 20 0 JFADRO 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CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001291628337 1064171127 /nfs/dbraw/zinc/17/11/27/1064171127.db2.gz BAQBJWOMJABECM-OOMBGRCJSA-N 1 0 471.694 2.870 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097890 1064171229 /nfs/dbraw/zinc/17/12/29/1064171229.db2.gz TXVBKGHJGIZTIN-MOPGFXCFSA-N 1 0 474.610 2.938 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001296098364 1064171256 /nfs/dbraw/zinc/17/12/56/1064171256.db2.gz XKHOTUBTGAMCOI-HOYKHHGWSA-N 1 0 458.582 2.833 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296098690 1064172188 /nfs/dbraw/zinc/17/21/88/1064172188.db2.gz ZPHYWGDQFTYAQI-SFHVURJKSA-N 1 0 469.556 2.908 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[N@H+](CC)C1CC1 ZINC001291630264 1064175914 /nfs/dbraw/zinc/17/59/14/1064175914.db2.gz RYXCZEIZIAZPTM-RTWAWAEBSA-N 1 0 459.683 2.799 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2CCC[N@H+](C)C(C)C)CC1=O ZINC001296102069 1064177581 /nfs/dbraw/zinc/17/75/81/1064177581.db2.gz CGGPSMFINYDRIL-UHFFFAOYSA-N 1 0 480.455 2.835 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+](CC)CC)CC1=O ZINC001296102446 1064177958 /nfs/dbraw/zinc/17/79/58/1064177958.db2.gz HFBPITSZXXBKJE-HNNXBMFYSA-N 1 0 466.428 2.825 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001291631514 1064178748 /nfs/dbraw/zinc/17/87/48/1064178748.db2.gz WBUPZAXMFXNHDP-FCHUYYIVSA-N 1 0 459.683 2.801 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[NH+]2CCSCC2)CC1=O ZINC001296102867 1064179451 /nfs/dbraw/zinc/17/94/51/1064179451.db2.gz MKGHWDSTUDTRQX-UHFFFAOYSA-N 1 0 480.585 2.654 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001296106139 1064184546 /nfs/dbraw/zinc/18/45/46/1064184546.db2.gz PEWFVKJVXSJFNA-WOJBJXKFSA-N 1 0 470.618 2.512 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001291638881 1064186018 /nfs/dbraw/zinc/18/60/18/1064186018.db2.gz KBQHOIVRDRZMOU-TZIWHRDSSA-N 1 0 466.696 2.775 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001291638995 1064186566 /nfs/dbraw/zinc/18/65/66/1064186566.db2.gz LBXOGSZIGLOETM-SIKLNZKXSA-N 1 0 475.659 2.543 20 0 JFADRO CCN1CCCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC[N@H+](C)C(C)C)CC1=O ZINC001296108771 1064187202 /nfs/dbraw/zinc/18/72/02/1064187202.db2.gz NQZNRBINHWLASO-UHFFFAOYSA-N 1 0 464.618 2.920 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639559 1064187572 /nfs/dbraw/zinc/18/75/72/1064187572.db2.gz NLSJTUFCMBPNKG-KNQAVFIVSA-N 1 0 459.614 2.605 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639700 1064187902 /nfs/dbraw/zinc/18/79/02/1064187902.db2.gz ODBMEQCSPRYSQD-NZQKXSOJSA-N 1 0 455.651 2.775 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639704 1064188032 /nfs/dbraw/zinc/18/80/32/1064188032.db2.gz ODBMEQCSPRYSQD-REWPJTCUSA-N 1 0 455.651 2.775 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001291641082 1064190498 /nfs/dbraw/zinc/19/04/98/1064190498.db2.gz WUANVPQBDAITPS-OAQYLSRUSA-N 1 0 498.672 2.856 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCc1cnn(C)n1 ZINC001291641700 1064191344 /nfs/dbraw/zinc/19/13/44/1064191344.db2.gz DLLYULMSZMTXOP-NJYVYQBISA-N 1 0 457.671 2.548 20 0 JFADRO CCN1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001296111896 1064192663 /nfs/dbraw/zinc/19/26/63/1064192663.db2.gz GLAYVTYOGWSAJD-HSZRJFAPSA-N 1 0 461.614 2.934 20 0 JFADRO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001296114532 1064195805 /nfs/dbraw/zinc/19/58/05/1064195805.db2.gz YQSFJCHPHKPDIE-VWNXMTODSA-N 1 0 453.558 2.624 20 0 JFADRO CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296116488 1064196820 /nfs/dbraw/zinc/19/68/20/1064196820.db2.gz FIPQAGXDAWFOOZ-LJQANCHMSA-N 1 0 470.666 2.709 20 0 JFADRO CCN1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCCC2)CC1=O ZINC001296118725 1064201420 /nfs/dbraw/zinc/20/14/20/1064201420.db2.gz ICSFBKAFQYHWNN-BGYRXZFFSA-N 1 0 489.665 2.593 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)CC1 ZINC001296118957 1064202694 /nfs/dbraw/zinc/20/26/94/1064202694.db2.gz MJCXOKHXZJZSQJ-DEOSSOPVSA-N 1 0 485.652 2.799 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650039 1064203112 /nfs/dbraw/zinc/20/31/12/1064203112.db2.gz PBOIBFMIPPVKNF-QUCCMNQESA-N 1 0 460.648 2.765 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291649898 1064203136 /nfs/dbraw/zinc/20/31/36/1064203136.db2.gz JRJXNWIGUWIMOG-BDTNDASRSA-N 1 0 475.682 2.875 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650040 1064203488 /nfs/dbraw/zinc/20/34/88/1064203488.db2.gz PBOIBFMIPPVKNF-UYAOXDASSA-N 1 0 460.648 2.765 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001296119794 1064205970 /nfs/dbraw/zinc/20/59/70/1064205970.db2.gz XBNWEQLPMWXDRK-UHFFFAOYSA-N 1 0 496.704 2.699 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296119852 1064206329 /nfs/dbraw/zinc/20/63/29/1064206329.db2.gz BQUJEYTZECZUPF-QZTJIDSGSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119868 1064206678 /nfs/dbraw/zinc/20/66/78/1064206678.db2.gz BULMQOZRZHGUJV-WCIQWLHISA-N 1 0 472.625 2.756 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119869 1064206733 /nfs/dbraw/zinc/20/67/33/1064206733.db2.gz BULMQOZRZHGUJV-YRPNKDGESA-N 1 0 472.625 2.756 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120221 1064208534 /nfs/dbraw/zinc/20/85/34/1064208534.db2.gz GIHCMCAUEWDJKE-DYXWJJEUSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120223 1064208615 /nfs/dbraw/zinc/20/86/15/1064208615.db2.gz GIHCMCAUEWDJKE-SBHAEUEKSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120553 1064210075 /nfs/dbraw/zinc/21/00/75/1064210075.db2.gz JLEBYOQEMYQGTA-FCHUYYIVSA-N 1 0 467.662 2.917 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291666812 1064211598 /nfs/dbraw/zinc/21/15/98/1064211598.db2.gz FAPFJKCQQMMGJF-DWRORGKVSA-N 1 0 461.611 2.949 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296121194 1064211714 /nfs/dbraw/zinc/21/17/14/1064211714.db2.gz NBSKBDSOPWGFOO-QUVATAORSA-N 1 0 497.688 2.863 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCC(C)CC2)CC1=O ZINC001296121175 1064212243 /nfs/dbraw/zinc/21/22/43/1064212243.db2.gz ZJSYXEQZIGGUNJ-UHFFFAOYSA-N 1 0 458.582 2.787 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121508 1064212781 /nfs/dbraw/zinc/21/27/81/1064212781.db2.gz PFBIWHKLAMHZKM-SFHVURJKSA-N 1 0 457.026 2.994 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001296121613 1064213176 /nfs/dbraw/zinc/21/31/76/1064213176.db2.gz QQJRJLDHZNTIRJ-NRFANRHFSA-N 1 0 455.651 2.763 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296121817 1064213783 /nfs/dbraw/zinc/21/37/83/1064213783.db2.gz QZKHCZKBFCCQOI-VSKRKVRLSA-N 1 0 483.661 2.787 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001291672345 1064214080 /nfs/dbraw/zinc/21/40/80/1064214080.db2.gz QCEZFUGHMUQADB-NHCUHLMSSA-N 1 0 493.697 2.549 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122263 1064214230 /nfs/dbraw/zinc/21/42/30/1064214230.db2.gz UXXYOSXIORRAMS-UXHICEINSA-N 1 0 463.671 2.873 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122306 1064214538 /nfs/dbraw/zinc/21/45/38/1064214538.db2.gz VMWFNQNCXCPLKO-AQCRLBJHSA-N 1 0 474.625 2.790 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296122566 1064214960 /nfs/dbraw/zinc/21/49/60/1064214960.db2.gz XTMPBYDRNBDXNL-ROKPMTFOSA-N 1 0 486.661 2.850 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296122349 1064214984 /nfs/dbraw/zinc/21/49/84/1064214984.db2.gz VXNAINAMJUSWDV-RTBURBONSA-N 1 0 474.053 2.682 20 0 JFADRO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291679979 1064216296 /nfs/dbraw/zinc/21/62/96/1064216296.db2.gz BXPSYUPHPTVQPW-VQTJNVASSA-N 1 0 478.707 2.837 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124153 1064216647 /nfs/dbraw/zinc/21/66/47/1064216647.db2.gz FPPCLNXUPGSWED-QGZVFWFLSA-N 1 0 480.032 2.724 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296124180 1064216765 /nfs/dbraw/zinc/21/67/65/1064216765.db2.gz FYBDUGVCPZOLGR-LJQANCHMSA-N 1 0 497.585 2.994 20 0 JFADRO CC[C@H](C)c1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291682311 1064216766 /nfs/dbraw/zinc/21/67/66/1064216766.db2.gz LFCVUTDIUGHELV-FQEVSTJZSA-N 1 0 480.723 2.755 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296124788 1064217479 /nfs/dbraw/zinc/21/74/79/1064217479.db2.gz ITHNUTRDLMBZQU-IEBWSBKVSA-N 1 0 463.026 2.858 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296124801 1064217502 /nfs/dbraw/zinc/21/75/02/1064217502.db2.gz JDFYGJZAXQNPMJ-PMACEKPBSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296125169 1064217853 /nfs/dbraw/zinc/21/78/53/1064217853.db2.gz LDWIREGLSNHEEC-MSOLQXFVSA-N 1 0 463.026 2.858 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](COC)C2)CC1 ZINC001296126074 1064220023 /nfs/dbraw/zinc/22/00/23/1064220023.db2.gz PESCVULLQVOMRF-RTWAWAEBSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296126072 1064220140 /nfs/dbraw/zinc/22/01/40/1064220140.db2.gz PESCVULLQVOMRF-LEWJYISDSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](CCOC)C2)CC1 ZINC001296126465 1064220776 /nfs/dbraw/zinc/22/07/76/1064220776.db2.gz QKPMUZBDWAGCID-RTBURBONSA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296126851 1064221138 /nfs/dbraw/zinc/22/11/38/1064221138.db2.gz RYJIXMIUSMDOAF-VIZSFHNOSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296127633 1064222102 /nfs/dbraw/zinc/22/21/02/1064222102.db2.gz VWXDPZGDNVRTED-HXUWFJFHSA-N 1 0 479.595 2.964 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129856 1064223295 /nfs/dbraw/zinc/22/32/95/1064223295.db2.gz BZNVUJPIVSYGSX-UNMCSNQZSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296130108 1064223822 /nfs/dbraw/zinc/22/38/22/1064223822.db2.gz BYYUJECRTULELH-QHCPKHFHSA-N 1 0 483.705 2.976 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131349 1064225085 /nfs/dbraw/zinc/22/50/85/1064225085.db2.gz JKDXLXBANAYMBN-QZTJIDSGSA-N 1 0 467.456 2.687 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296131354 1064225441 /nfs/dbraw/zinc/22/54/41/1064225441.db2.gz JVHITCFGRUROKN-HXUWFJFHSA-N 1 0 494.688 2.890 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291720400 1064227362 /nfs/dbraw/zinc/22/73/62/1064227362.db2.gz OOPVOQOKNUHFLY-UWHLTILDSA-N 1 0 498.738 2.850 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296132071 1064228376 /nfs/dbraw/zinc/22/83/76/1064228376.db2.gz QOLPGHIPESAFCJ-GOSISDBHSA-N 1 0 490.599 2.563 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296132247 1064229296 /nfs/dbraw/zinc/22/92/96/1064229296.db2.gz ABJUMGUQSPGXAW-IMSXRSKXSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001296132289 1064229398 /nfs/dbraw/zinc/22/93/98/1064229398.db2.gz AOWCXZOIMXUNRH-CJFMBICVSA-N 1 0 485.702 2.607 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291732295 1064230605 /nfs/dbraw/zinc/23/06/05/1064230605.db2.gz IRYAUOMTYBLUFD-IEGUWTFLSA-N 1 0 450.628 2.899 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296132644 1064231074 /nfs/dbraw/zinc/23/10/74/1064231074.db2.gz CIFRSUSKVPVKLZ-OAQYLSRUSA-N 1 0 470.662 2.713 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132789 1064231498 /nfs/dbraw/zinc/23/14/98/1064231498.db2.gz RTODUPXOLJHQKH-UZLBHIALSA-N 1 0 478.016 2.684 20 0 JFADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296133377 1064233679 /nfs/dbraw/zinc/23/36/79/1064233679.db2.gz TXTJQLGFGWDREA-GMKZXUHWSA-N 1 0 470.662 2.676 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)Cc3ccc(S(C)(=O)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001296133609 1064234353 /nfs/dbraw/zinc/23/43/53/1064234353.db2.gz JRIRCMOFBUVZOW-IBGZPJMESA-N 1 0 476.691 2.642 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296133599 1064234464 /nfs/dbraw/zinc/23/44/64/1064234464.db2.gz JNXNFROKTUWPKE-VXKWHMMOSA-N 1 0 456.635 2.725 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291751873 1064234881 /nfs/dbraw/zinc/23/48/81/1064234881.db2.gz GNKQDGGGGGPGQT-GOSISDBHSA-N 1 0 477.654 2.738 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752386 1064235147 /nfs/dbraw/zinc/23/51/47/1064235147.db2.gz IZIBZXPFZIGMPZ-RTBURBONSA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3noc4c3COCC4)nnc2N(CC(C)C)C(C)C)CC1 ZINC001296134562 1064236247 /nfs/dbraw/zinc/23/62/47/1064236247.db2.gz YNFWLSOAOWDVAD-LJQANCHMSA-N 1 0 459.639 2.903 20 0 JFADRO CC[C@H](C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001291754467 1064236568 /nfs/dbraw/zinc/23/65/68/1064236568.db2.gz QYJWAKDRTOCMLC-SLFFLAALSA-N 1 0 484.711 2.604 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296134835 1064237000 /nfs/dbraw/zinc/23/70/00/1064237000.db2.gz RBRVIKUABMAZCE-LVXARBLLSA-N 1 0 486.661 2.897 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296134834 1064237100 /nfs/dbraw/zinc/23/71/00/1064237100.db2.gz RBRVIKUABMAZCE-HFZDXXHNSA-N 1 0 486.661 2.897 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001291758605 1064238101 /nfs/dbraw/zinc/23/81/01/1064238101.db2.gz ASWNTNMETHHPDQ-ICSRJNTNSA-N 1 0 469.590 2.518 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296135262 1064238796 /nfs/dbraw/zinc/23/87/96/1064238796.db2.gz XRFIEHMPRLUVSQ-OAQYLSRUSA-N 1 0 473.710 2.732 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296135261 1064238848 /nfs/dbraw/zinc/23/88/48/1064238848.db2.gz XRFIEHMPRLUVSQ-NRFANRHFSA-N 1 0 473.710 2.732 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296135443 1064239180 /nfs/dbraw/zinc/23/91/80/1064239180.db2.gz YKDBSHGABLJDIO-FPOVZHCZSA-N 1 0 496.578 2.959 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296135275 1064239213 /nfs/dbraw/zinc/23/92/13/1064239213.db2.gz XRVRAJIAARUNKW-QYZOEREBSA-N 1 0 491.731 2.626 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001291759456 1064239726 /nfs/dbraw/zinc/23/97/26/1064239726.db2.gz FRALZYGOYJYRFV-UONOGXRCSA-N 1 0 454.417 2.584 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296135478 1064239659 /nfs/dbraw/zinc/23/96/59/1064239659.db2.gz ZCNHNMFPBAIVRV-NRFANRHFSA-N 1 0 485.677 2.542 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001291759667 1064239738 /nfs/dbraw/zinc/23/97/38/1064239738.db2.gz HKLMRMIFYQWSDD-ZWKOTPCHSA-N 1 0 488.633 2.758 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759344 1064239748 /nfs/dbraw/zinc/23/97/48/1064239748.db2.gz FWAGKNQZKVCXDG-IRXDYDNUSA-N 1 0 466.627 2.629 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291759734 1064240063 /nfs/dbraw/zinc/24/00/63/1064240063.db2.gz HVPCFYCQCTXDJD-ROUUACIJSA-N 1 0 450.591 2.732 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759749 1064240468 /nfs/dbraw/zinc/24/04/68/1064240468.db2.gz JXGUBZUPLMHAQO-GBESFXJTSA-N 1 0 496.653 2.758 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296135793 1064240474 /nfs/dbraw/zinc/24/04/74/1064240474.db2.gz CCVIIKAMXXFKHN-SJLPKXTDSA-N 1 0 484.571 2.544 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296135828 1064240526 /nfs/dbraw/zinc/24/05/26/1064240526.db2.gz CYKOKYQDAWHFCL-DJAOPXNMSA-N 1 0 474.675 2.529 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001291760013 1064241006 /nfs/dbraw/zinc/24/10/06/1064241006.db2.gz MNOIKDPYEPMSPU-UYAOXDASSA-N 1 0 455.607 2.909 20 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JFADRO CC[NH+]1CCN(c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CCC(C(C)C)CC3)cn2)CC1 ZINC001296136778 1064242731 /nfs/dbraw/zinc/24/27/31/1064242731.db2.gz LAQMGFVOSYFAPT-UHFFFAOYSA-N 1 0 482.677 2.874 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001291762275 1064243294 /nfs/dbraw/zinc/24/32/94/1064243294.db2.gz XRPACPHOSYMTOW-HXUWFJFHSA-N 1 0 475.682 2.766 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2cccc(Cl)c2C)C[C@H]1C ZINC001296137466 1064243825 /nfs/dbraw/zinc/24/38/25/1064243825.db2.gz PDAMVTRMLVKNDX-MRXNPFEDSA-N 1 0 476.025 2.937 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001296137889 1064244350 /nfs/dbraw/zinc/24/43/50/1064244350.db2.gz SMHMCEUEUJYJNP-BJLQDIEVSA-N 1 0 488.599 2.807 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC(F)(F)F)C[C@H]1C ZINC001296137863 1064244390 /nfs/dbraw/zinc/24/43/90/1064244390.db2.gz RYJXLNUHHYVQDJ-MRXNPFEDSA-N 1 0 468.524 2.936 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291763379 1064244401 /nfs/dbraw/zinc/24/44/01/1064244401.db2.gz WHZMYIQVWFCFOU-ZWOKBUDYSA-N 1 0 494.482 2.923 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1 ZINC001291763798 1064244728 /nfs/dbraw/zinc/24/47/28/1064244728.db2.gz XJZCGAAVNZKYHH-MRXNPFEDSA-N 1 0 468.444 2.534 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001296138415 1064245087 /nfs/dbraw/zinc/24/50/87/1064245087.db2.gz WNQXCTNYIMKMSG-LDVJMBRRSA-N 1 0 460.667 2.821 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291764004 1064245097 /nfs/dbraw/zinc/24/50/97/1064245097.db2.gz AGBMOSMMNXZRAQ-MZNJEOGPSA-N 1 0 458.607 2.655 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291764419 1064245125 /nfs/dbraw/zinc/24/51/25/1064245125.db2.gz CPAHPLOBVYBTHJ-KRWDZBQOSA-N 1 0 479.647 2.706 20 0 JFADRO CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001296138872 1064245666 /nfs/dbraw/zinc/24/56/66/1064245666.db2.gz YFRVUYCNBCPIFE-UHFFFAOYSA-N 1 0 465.602 2.907 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291765274 1064245755 /nfs/dbraw/zinc/24/57/55/1064245755.db2.gz JYIUPXSTZROACK-OAHLLOKOSA-N 1 0 455.028 2.737 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC001296139041 1064246144 /nfs/dbraw/zinc/24/61/44/1064246144.db2.gz ZVVYQTOUOHLCPZ-HNNXBMFYSA-N 1 0 466.533 2.605 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001291765407 1064246188 /nfs/dbraw/zinc/24/61/88/1064246188.db2.gz MCZHNFIBWJHSOZ-INIZCTEOSA-N 1 0 473.988 2.980 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001291765572 1064246815 /nfs/dbraw/zinc/24/68/15/1064246815.db2.gz NAGDMFAHOBMKJO-OXJNMPFZSA-N 1 0 455.563 2.953 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291766691 1064248549 /nfs/dbraw/zinc/24/85/49/1064248549.db2.gz FKKFSJHQPUTEKV-MJGOQNOKSA-N 1 0 477.631 2.808 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001291766925 1064248595 /nfs/dbraw/zinc/24/85/95/1064248595.db2.gz GVAHRHBXWRKFFQ-MSOLQXFVSA-N 1 0 472.590 2.724 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766734 1064248630 /nfs/dbraw/zinc/24/86/30/1064248630.db2.gz GCHGMROBOHHVRN-LJQANCHMSA-N 1 0 462.664 2.844 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOCC1 ZINC001291767457 1064249332 /nfs/dbraw/zinc/24/93/32/1064249332.db2.gz MYOHLDNZKWVIFH-HXUWFJFHSA-N 1 0 451.619 2.992 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C[S@@](C)=O)cc2)C[C@@H]1C ZINC001296143061 1064251637 /nfs/dbraw/zinc/25/16/37/1064251637.db2.gz OZHJGQODKVZZPI-TXDDUHAOSA-N 1 0 489.686 2.776 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001296143393 1064252489 /nfs/dbraw/zinc/25/24/89/1064252489.db2.gz PVSQOPOFKBMCFK-OAHLLOKOSA-N 1 0 480.455 2.881 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001296143887 1064253009 /nfs/dbraw/zinc/25/30/09/1064253009.db2.gz SFIYTWZYTCVITK-KRWDZBQOSA-N 1 0 492.466 2.979 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001291771235 1064253073 /nfs/dbraw/zinc/25/30/73/1064253073.db2.gz DAGYTRHWMYVFTD-GMAHTHKFSA-N 1 0 495.672 2.631 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771370 1064253400 /nfs/dbraw/zinc/25/34/00/1064253400.db2.gz DJNASLHEVHCZAO-YADHBBJMSA-N 1 0 482.677 2.512 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001296144544 1064253495 /nfs/dbraw/zinc/25/34/95/1064253495.db2.gz AERKMJPDFHBDIR-GAJHUEQPSA-N 1 0 461.632 2.694 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291771392 1064253782 /nfs/dbraw/zinc/25/37/82/1064253782.db2.gz DNSZFLABLHHVAD-OXJNMPFZSA-N 1 0 461.561 2.564 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001296144751 1064253822 /nfs/dbraw/zinc/25/38/22/1064253822.db2.gz VLLLSAXOIAXNNC-OAHLLOKOSA-N 1 0 461.412 2.667 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291771485 1064254284 /nfs/dbraw/zinc/25/42/84/1064254284.db2.gz GEUIDSPNDFWUFN-KURKYZTESA-N 1 0 463.652 2.582 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001296144996 1064254726 /nfs/dbraw/zinc/25/47/26/1064254726.db2.gz CABPVSSDPSHJRG-AWEZNQCLSA-N 1 0 459.396 2.907 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOc2ccc(Cl)cn2)C[C@H]1C ZINC001296145149 1064255338 /nfs/dbraw/zinc/25/53/38/1064255338.db2.gz MBBUDJHQDLYSFP-MRXNPFEDSA-N 1 0 470.965 2.583 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291772332 1064255526 /nfs/dbraw/zinc/25/55/26/1064255526.db2.gz OEMJBXHCOXMSOJ-OTWHNJEPSA-N 1 0 477.654 2.795 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001296147144 1064257952 /nfs/dbraw/zinc/25/79/52/1064257952.db2.gz QNWJRNMXGDRKNO-LJQANCHMSA-N 1 0 469.634 2.840 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001296147711 1064258470 /nfs/dbraw/zinc/25/84/70/1064258470.db2.gz QLUDSDNUVFUNTR-CHWSQXEVSA-N 1 0 453.410 2.578 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001291773512 1064258774 /nfs/dbraw/zinc/25/87/74/1064258774.db2.gz WEEAXWDFZHUVCT-JOCHJYFZSA-N 1 0 482.677 2.595 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 ZINC001291773687 1064259870 /nfs/dbraw/zinc/25/98/70/1064259870.db2.gz IWTNOXQWJPJKIC-WOJBJXKFSA-N 1 0 472.638 2.684 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001291774091 1064261647 /nfs/dbraw/zinc/26/16/47/1064261647.db2.gz LMHIXGRYFRPGFY-PMACEKPBSA-N 1 0 454.619 2.536 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)c2ccco2)C[C@@H]1C ZINC001296150587 1064262498 /nfs/dbraw/zinc/26/24/98/1064262498.db2.gz ONBHJSKJMOCGLC-BXKMTCNYSA-N 1 0 455.559 2.993 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001291774437 1064262488 /nfs/dbraw/zinc/26/24/88/1064262488.db2.gz NFTSATCEHWATDV-IFMALSPDSA-N 1 0 456.635 2.985 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCSC)C[C@H]1C ZINC001296151409 1064262860 /nfs/dbraw/zinc/26/28/60/1064262860.db2.gz ZKQQOHSADVMUOY-GOSISDBHSA-N 1 0 455.636 2.985 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccsc1 ZINC001291774492 1064263165 /nfs/dbraw/zinc/26/31/65/1064263165.db2.gz OKZBSXPBKPSIKA-IHPCNDPISA-N 1 0 496.703 2.744 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001296154082 1064263895 /nfs/dbraw/zinc/26/38/95/1064263895.db2.gz BCVANBAWIFEQIY-RBUKOAKNSA-N 1 0 453.591 2.933 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775242 1064263964 /nfs/dbraw/zinc/26/39/64/1064263964.db2.gz VRVYZQMPVUJYOT-UYAOXDASSA-N 1 0 463.648 2.864 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001291775238 1064264016 /nfs/dbraw/zinc/26/40/16/1064264016.db2.gz VRTSTSQIBBJEDQ-UYAOXDASSA-N 1 0 452.669 2.670 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(C)c1 ZINC001291775240 1064264066 /nfs/dbraw/zinc/26/40/66/1064264066.db2.gz VRVYZQMPVUJYOT-ICSRJNTNSA-N 1 0 463.648 2.864 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@](C)(O)CC)C[C@@H]1C ZINC001296154448 1064264830 /nfs/dbraw/zinc/26/48/30/1064264830.db2.gz FOCWSCSVKFFGLB-AVRWGWEMSA-N 1 0 467.618 2.927 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001296154449 1064265076 /nfs/dbraw/zinc/26/50/76/1064265076.db2.gz FOCWSCSVKFFGLB-BVZFJXPGSA-N 1 0 467.618 2.927 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778132 1064265858 /nfs/dbraw/zinc/26/58/58/1064265858.db2.gz HUGUSDBIBKSGAG-VQTJNVASSA-N 1 0 492.665 2.934 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C ZINC001296155009 1064266520 /nfs/dbraw/zinc/26/65/20/1064266520.db2.gz MCVIPTAUTQLACX-QAPCUYQASA-N 1 0 466.508 2.749 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001291779289 1064267323 /nfs/dbraw/zinc/26/73/23/1064267323.db2.gz PGCILSSNBOZRRX-HJPURHCSSA-N 1 0 462.545 2.908 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H]1CCCO1 ZINC001291779694 1064267741 /nfs/dbraw/zinc/26/77/41/1064267741.db2.gz RXLWINYRKDUOLE-AQNXPRMDSA-N 1 0 480.654 2.932 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CC(F)(F)C2(OC)CCOCC2)C[C@H]1C ZINC001296155801 1064267963 /nfs/dbraw/zinc/26/79/63/1064267963.db2.gz WSIZMZBGDXFKLN-QGZVFWFLSA-N 1 0 452.550 2.645 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001291780977 1064268458 /nfs/dbraw/zinc/26/84/58/1064268458.db2.gz CEQNQERZFHOVQD-RTWAWAEBSA-N 1 0 480.661 2.988 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296156098 1064268522 /nfs/dbraw/zinc/26/85/22/1064268522.db2.gz SPDSKTOIPVDNEG-OXQOHEQNSA-N 1 0 458.561 2.790 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cc(OC)ccc2OC)C[C@H]1C ZINC001296156794 1064269354 /nfs/dbraw/zinc/26/93/54/1064269354.db2.gz VRFMSOQSXDLKQR-GOSISDBHSA-N 1 0 453.591 2.859 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC001291781784 1064269559 /nfs/dbraw/zinc/26/95/59/1064269559.db2.gz IFUQUYSCBZSNHW-HXUWFJFHSA-N 1 0 479.604 2.982 20 0 JFADRO CCn1nc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2CC(C)(C)COC)c2ccccc2c1=O ZINC001296157537 1064270630 /nfs/dbraw/zinc/27/06/30/1064270630.db2.gz YYKXPHZHLMZEGH-SFHVURJKSA-N 1 0 467.618 2.878 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001291782294 1064270658 /nfs/dbraw/zinc/27/06/58/1064270658.db2.gz CMZCAUVZRFUFOM-RXVVDRJESA-N 1 0 458.582 2.848 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296157844 1064271375 /nfs/dbraw/zinc/27/13/75/1064271375.db2.gz FYBILXFYIXGGCR-PZJWPPBQSA-N 1 0 456.639 2.654 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001291782624 1064272789 /nfs/dbraw/zinc/27/27/89/1064272789.db2.gz FSRIYMWBVGBPDW-FQEVSTJZSA-N 1 0 456.639 2.552 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001291782715 1064273397 /nfs/dbraw/zinc/27/33/97/1064273397.db2.gz SIUXMJMQNNLSGC-LJQANCHMSA-N 1 0 452.607 2.613 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291782954 1064273980 /nfs/dbraw/zinc/27/39/80/1064273980.db2.gz WAZSPZDXYFILIB-AOHZBQACSA-N 1 0 454.663 2.951 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC[C@@H](C(F)F)N2CCOCC2)C[C@@H]1C ZINC001296161342 1064275018 /nfs/dbraw/zinc/27/50/18/1064275018.db2.gz JPACSDNWILBEOD-FPOVZHCZSA-N 1 0 492.615 2.764 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCc3c(Br)ccc(F)c3C2)CC1=O ZINC001296163558 1064278103 /nfs/dbraw/zinc/27/81/03/1064278103.db2.gz ZJHOLFGKLLWSCW-GJZGRUSLSA-N 1 0 452.368 2.806 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001291784455 1064279617 /nfs/dbraw/zinc/27/96/17/1064279617.db2.gz RMNWRRMOZRZSGM-SFHVURJKSA-N 1 0 487.674 2.591 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001296163715 1064279675 /nfs/dbraw/zinc/27/96/75/1064279675.db2.gz YGYCWIZAMWSVGR-UFYCRDLUSA-N 1 0 476.622 2.810 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C ZINC001296163761 1064280032 /nfs/dbraw/zinc/28/00/32/1064280032.db2.gz YQCXLJAYJNMTNQ-RXVVDRJESA-N 1 0 461.632 2.696 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001296163884 1064280177 /nfs/dbraw/zinc/28/01/77/1064280177.db2.gz ZBFPKJYHZWTMDO-IPMKNSEASA-N 1 0 450.628 2.958 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001296164660 1064281368 /nfs/dbraw/zinc/28/13/68/1064281368.db2.gz AFIUMEWLLKUJGZ-QGZVFWFLSA-N 1 0 478.688 2.712 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291786136 1064282407 /nfs/dbraw/zinc/28/24/07/1064282407.db2.gz QXKLBRWTJUEUDM-NRFANRHFSA-N 1 0 469.678 2.744 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001291786278 1064282816 /nfs/dbraw/zinc/28/28/16/1064282816.db2.gz RZXZHKKVYMSLOS-CPJSRVTESA-N 1 0 478.682 2.744 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)nnc1C(C)(C)C ZINC001291786493 1064283718 /nfs/dbraw/zinc/28/37/18/1064283718.db2.gz SWHVUAKGBSFMRB-RTWAWAEBSA-N 1 0 461.699 2.829 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001296166653 1064287914 /nfs/dbraw/zinc/28/79/14/1064287914.db2.gz NMCSVQHLIUIXAD-HXUWFJFHSA-N 1 0 467.618 2.930 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001291793458 1064292428 /nfs/dbraw/zinc/29/24/28/1064292428.db2.gz MRYMGSMQVHYNCB-LJQANCHMSA-N 1 0 482.633 2.685 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001296173460 1064296127 /nfs/dbraw/zinc/29/61/27/1064296127.db2.gz HFEVBTYXXRVNQR-FQEVSTJZSA-N 1 0 475.682 2.659 20 0 JFADRO CCN(CC)c1ccc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CC[NH+](CC)CC3)C2)cn1 ZINC001296173874 1064299680 /nfs/dbraw/zinc/29/96/80/1064299680.db2.gz MLOBVVDNGZNZTP-QFIPXVFZSA-N 1 0 454.667 2.907 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2ncn(C)n2)C[C@H]1C ZINC001296173975 1064300386 /nfs/dbraw/zinc/30/03/86/1064300386.db2.gz NPSIWNHVJPCBHR-GOSISDBHSA-N 1 0 452.607 2.862 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccn4)n3CCCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296179570 1064309086 /nfs/dbraw/zinc/30/90/86/1064309086.db2.gz HFOHLIZOGPXTJW-NRFANRHFSA-N 1 0 498.676 2.813 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001296180576 1064312524 /nfs/dbraw/zinc/31/25/24/1064312524.db2.gz NVVAKVDUYBNSBI-GOSISDBHSA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001291802815 1064313245 /nfs/dbraw/zinc/31/32/45/1064313245.db2.gz FQXPCZSYGOJEIP-PMACEKPBSA-N 1 0 479.629 2.955 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001291802851 1064313363 /nfs/dbraw/zinc/31/33/63/1064313363.db2.gz GNHANKJLCKWLLQ-QUCCMNQESA-N 1 0 489.068 2.515 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001296181155 1064314144 /nfs/dbraw/zinc/31/41/44/1064314144.db2.gz SRIMJVKKTPDHBO-CYFREDJKSA-N 1 0 477.053 2.602 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001296181752 1064317679 /nfs/dbraw/zinc/31/76/79/1064317679.db2.gz ZXCOIJBROIUJCE-UNMCSNQZSA-N 1 0 455.651 2.926 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001291804228 1064320500 /nfs/dbraw/zinc/32/05/00/1064320500.db2.gz PCSTVQLZDVXPOM-IPMKNSEASA-N 1 0 470.618 2.940 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001296182119 1064321387 /nfs/dbraw/zinc/32/13/87/1064321387.db2.gz NAOUSWZJWCEHFH-JOCHJYFZSA-N 1 0 485.652 2.570 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)C2)CC1 ZINC001296182250 1064322385 /nfs/dbraw/zinc/32/23/85/1064322385.db2.gz PTAKSEZBIOEHCO-IBGZPJMESA-N 1 0 483.608 2.776 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296182378 1064323186 /nfs/dbraw/zinc/32/31/86/1064323186.db2.gz RCSKOQMUDRUZDY-HXUWFJFHSA-N 1 0 499.660 2.573 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296182377 1064323269 /nfs/dbraw/zinc/32/32/69/1064323269.db2.gz RCSKOQMUDRUZDY-FQEVSTJZSA-N 1 0 499.660 2.573 20 0 JFADRO COc1ccc2c(C)c(CCC(=O)N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c(=O)oc2c1 ZINC001296182780 1064324400 /nfs/dbraw/zinc/32/44/00/1064324400.db2.gz JBFYJIUNRPCIOK-UHFFFAOYSA-N 1 0 455.599 2.919 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296182944 1064326032 /nfs/dbraw/zinc/32/60/32/1064326032.db2.gz BMQIVHUECHIZOO-HXUWFJFHSA-N 1 0 488.080 2.931 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296183296 1064328415 /nfs/dbraw/zinc/32/84/15/1064328415.db2.gz CVQBMSUEBZMAJA-FQEVSTJZSA-N 1 0 468.650 2.825 20 0 JFADRO C[NH+]1CCN(CC2(C)CCN(C(=O)C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001296183708 1064328809 /nfs/dbraw/zinc/32/88/09/1064328809.db2.gz RCUKEJDEKZHMKI-UHFFFAOYSA-N 1 0 456.052 2.768 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](COC)C2)CC1 ZINC001296183829 1064330364 /nfs/dbraw/zinc/33/03/64/1064330364.db2.gz GOTYKQPMBCBULV-SFTDATJTSA-N 1 0 456.635 2.700 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296183851 1064330464 /nfs/dbraw/zinc/33/04/64/1064330464.db2.gz HCUPNFCGTUCCIL-PKOBYXMFSA-N 1 0 494.482 2.925 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296184990 1064332156 /nfs/dbraw/zinc/33/21/56/1064332156.db2.gz NCWCPUMQBGMPAB-GOSISDBHSA-N 1 0 483.583 2.804 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190056 1064336708 /nfs/dbraw/zinc/33/67/08/1064336708.db2.gz BIHBUWHGSLZWLT-RQTOMXEWSA-N 1 0 484.689 2.553 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001296190367 1064338684 /nfs/dbraw/zinc/33/86/84/1064338684.db2.gz CPLOLIXWMVTKGT-ROUUACIJSA-N 1 0 456.557 2.754 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296190841 1064340409 /nfs/dbraw/zinc/34/04/09/1064340409.db2.gz GCDINCBXVIBEAZ-PKTZIBPZSA-N 1 0 454.663 2.952 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC(C)(OC)C2)CC1 ZINC001296191182 1064341344 /nfs/dbraw/zinc/34/13/44/1064341344.db2.gz IBHWZMCBKKGPPB-SFHVURJKSA-N 1 0 462.589 2.646 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001296191933 1064343248 /nfs/dbraw/zinc/34/32/48/1064343248.db2.gz DASDAKGQQHQLNT-YUXAGFNASA-N 1 0 477.053 2.722 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001291815616 1064344666 /nfs/dbraw/zinc/34/46/66/1064344666.db2.gz ABCSETFBYPVQFY-TZIWHRDSSA-N 1 0 472.609 2.938 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296192185 1064344773 /nfs/dbraw/zinc/34/47/73/1064344773.db2.gz DLRUUYHKLDZNEE-MJGOQNOKSA-N 1 0 458.573 2.977 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296192318 1064344822 /nfs/dbraw/zinc/34/48/22/1064344822.db2.gz FCMZGDLVUFQSJL-UNMCSNQZSA-N 1 0 467.662 2.619 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296192408 1064345333 /nfs/dbraw/zinc/34/53/33/1064345333.db2.gz DWKIPBROKMVGBT-GGAORHGYSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)C2)CC1 ZINC001296192804 1064347436 /nfs/dbraw/zinc/34/74/36/1064347436.db2.gz GPNLFARUOWHYJW-RTWAWAEBSA-N 1 0 456.635 2.986 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001291817229 1064348025 /nfs/dbraw/zinc/34/80/25/1064348025.db2.gz GPOINYAGCCZVDR-RTBURBONSA-N 1 0 490.599 2.610 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296192872 1064348121 /nfs/dbraw/zinc/34/81/21/1064348121.db2.gz HAWBHZOVSNZQNR-OFNKIYASSA-N 1 0 483.661 2.529 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001291817224 1064348070 /nfs/dbraw/zinc/34/80/70/1064348070.db2.gz GPOINYAGCCZVDR-MOPGFXCFSA-N 1 0 490.599 2.610 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296193312 1064349526 /nfs/dbraw/zinc/34/95/26/1064349526.db2.gz IIUMOPPVYJWPMP-DENIHFKCSA-N 1 0 474.723 2.745 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCc3c(ccnc3N(C)C)C2)CC1 ZINC001296193268 1064349625 /nfs/dbraw/zinc/34/96/25/1064349625.db2.gz IFBRYCGBJSYABX-UHFFFAOYSA-N 1 0 454.667 2.843 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001291817818 1064351522 /nfs/dbraw/zinc/35/15/22/1064351522.db2.gz NSWNKTSURWXCQF-FQEVSTJZSA-N 1 0 486.636 2.861 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194508 1064354522 /nfs/dbraw/zinc/35/45/22/1064354522.db2.gz MBXVENYOBGPOAD-ICSRJNTNSA-N 1 0 461.655 2.533 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194510 1064354721 /nfs/dbraw/zinc/35/47/21/1064354721.db2.gz MBXVENYOBGPOAD-QUCCMNQESA-N 1 0 461.655 2.533 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](COC(C)C)C2)CC1 ZINC001296194416 1064355391 /nfs/dbraw/zinc/35/53/91/1064355391.db2.gz SGTTXFKQCDTGDN-FCHUYYIVSA-N 1 0 464.699 2.771 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001296194500 1064355958 /nfs/dbraw/zinc/35/59/58/1064355958.db2.gz LYJDQCBHPGXLFE-AABGKKOBSA-N 1 0 470.609 2.511 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296194770 1064358282 /nfs/dbraw/zinc/35/82/82/1064358282.db2.gz FSAUJMKTVJNZSJ-PKOBYXMFSA-N 1 0 469.556 2.847 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001296194981 1064358892 /nfs/dbraw/zinc/35/88/92/1064358892.db2.gz UIDDZFKJCZZNNS-VQTJNVASSA-N 1 0 473.691 2.933 20 0 JFADRO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001296195335 1064360904 /nfs/dbraw/zinc/36/09/04/1064360904.db2.gz OVFBCNQHKWPLQG-SLFFLAALSA-N 1 0 463.671 2.779 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296195405 1064361088 /nfs/dbraw/zinc/36/10/88/1064361088.db2.gz JJQTUVWIGRHXGB-UHFFFAOYSA-N 1 0 481.689 2.939 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291822590 1064364579 /nfs/dbraw/zinc/36/45/79/1064364579.db2.gz KVVGDAZZHNJTLN-RJGXRXQPSA-N 1 0 497.688 2.561 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296196108 1064364769 /nfs/dbraw/zinc/36/47/69/1064364769.db2.gz XHAQSBNCWDBTHK-IRLDBZIGSA-N 1 0 457.692 2.869 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196100 1064364982 /nfs/dbraw/zinc/36/49/82/1064364982.db2.gz XCZUZDUEXNWSDH-ZVDOUQERSA-N 1 0 495.594 2.694 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296196474 1064367439 /nfs/dbraw/zinc/36/74/39/1064367439.db2.gz PKDXHKFQSNZBGR-AREMUKBSSA-N 1 0 467.662 2.634 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296196941 1064370317 /nfs/dbraw/zinc/37/03/17/1064370317.db2.gz WDFBTOIVZZJXNJ-GOTSBHOMSA-N 1 0 498.672 2.829 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296197093 1064372609 /nfs/dbraw/zinc/37/26/09/1064372609.db2.gz SXEWEHRRPHXSPA-UHFFFAOYSA-N 1 0 457.667 2.954 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296197388 1064373399 /nfs/dbraw/zinc/37/33/99/1064373399.db2.gz XSIQJJZYVQBPLM-DHIUTWEWSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001296197463 1064374163 /nfs/dbraw/zinc/37/41/63/1064374163.db2.gz WQZMVOVGQXTDAL-UHFFFAOYSA-N 1 0 470.666 2.937 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001296201890 1064376512 /nfs/dbraw/zinc/37/65/12/1064376512.db2.gz CVEICNSFDKTYRS-UHFFFAOYSA-N 1 0 455.651 2.948 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001296202579 1064378602 /nfs/dbraw/zinc/37/86/02/1064378602.db2.gz GDMSPDCWVGNKSU-OAQYLSRUSA-N 1 0 464.561 2.793 20 0 JFADRO CCN1CC[NH+](CCCCn2c(N3CCC(N4CCCCC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001296203284 1064381352 /nfs/dbraw/zinc/38/13/52/1064381352.db2.gz JWSJDECYQYLAFB-UHFFFAOYSA-N 1 0 473.710 2.975 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001296203901 1064384107 /nfs/dbraw/zinc/38/41/07/1064384107.db2.gz CZXSCDDNWZEKOF-LEWJYISDSA-N 1 0 450.697 2.922 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296203845 1064384194 /nfs/dbraw/zinc/38/41/94/1064384194.db2.gz PWFBRDXMNIUDBI-LJQANCHMSA-N 1 0 479.073 2.613 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCCOCC2)CC1 ZINC001296204047 1064384850 /nfs/dbraw/zinc/38/48/50/1064384850.db2.gz QEWWIJVCFCEUPI-FQEVSTJZSA-N 1 0 460.598 2.812 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)c2cccc(O)c2)CC1 ZINC001296204472 1064386406 /nfs/dbraw/zinc/38/64/06/1064386406.db2.gz JQUHOJNAQRUNGL-IBGZPJMESA-N 1 0 452.607 2.609 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296205199 1064389528 /nfs/dbraw/zinc/38/95/28/1064389528.db2.gz YHNSSNPBZBYRHF-FPOVZHCZSA-N 1 0 475.682 2.923 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291831127 1064391420 /nfs/dbraw/zinc/39/14/20/1064391420.db2.gz ZUMSNZOKKJPXAA-FSSWDIPSSA-N 1 0 461.699 2.949 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296205640 1064391746 /nfs/dbraw/zinc/39/17/46/1064391746.db2.gz CFULGYHYMRCVOT-UHFFFAOYSA-N 1 0 485.652 2.807 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(C)o3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296206093 1064393361 /nfs/dbraw/zinc/39/33/61/1064393361.db2.gz HYYDSRVZICOEKV-HXUWFJFHSA-N 1 0 487.649 2.978 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291832254 1064395045 /nfs/dbraw/zinc/39/50/45/1064395045.db2.gz GAYPZHZJIUVPJA-VXKWHMMOSA-N 1 0 496.704 2.887 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296207645 1064398848 /nfs/dbraw/zinc/39/88/48/1064398848.db2.gz ZWMNMASVFYINEM-YKSBVNFPSA-N 1 0 486.661 2.851 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)c1 ZINC001296209271 1064399349 /nfs/dbraw/zinc/39/93/49/1064399349.db2.gz GKALDMPWVUKCDA-UHFFFAOYSA-N 1 0 458.506 2.857 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CCCc3ccccc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296210321 1064400768 /nfs/dbraw/zinc/40/07/68/1064400768.db2.gz FBVPVGRIHUYBFJ-VWNXMTODSA-N 1 0 454.663 2.688 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001296210654 1064400808 /nfs/dbraw/zinc/40/08/08/1064400808.db2.gz HCTACUJMDQBKBA-LJQANCHMSA-N 1 0 459.605 2.577 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCN(Cc4csc(C)n4)CC3)nnc2C(C)(C)C)CC1 ZINC001296212709 1064404512 /nfs/dbraw/zinc/40/45/12/1064404512.db2.gz BNCGTOZBMILMQT-UHFFFAOYSA-N 1 0 474.723 2.690 20 0 JFADRO CCn1nc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001296212986 1064405747 /nfs/dbraw/zinc/40/57/47/1064405747.db2.gz DKDVELLCWHJVEX-SFHVURJKSA-N 1 0 494.644 2.640 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291834182 1064408703 /nfs/dbraw/zinc/40/87/03/1064408703.db2.gz UVNJVGPTCSSRRL-FGZHOGPDSA-N 1 0 497.688 2.722 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001291835937 1064416531 /nfs/dbraw/zinc/41/65/31/1064416531.db2.gz LMOKCIKXFOAEOX-RTWAWAEBSA-N 1 0 459.683 2.704 20 0 JFADRO CCn1nc(-c2nnc(N3CCC(C)=C(C)C3)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296219133 1064431644 /nfs/dbraw/zinc/43/16/44/1064431644.db2.gz IAUNYGNTGFMNSF-UHFFFAOYSA-N 1 0 465.602 2.800 20 0 JFADRO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291843619 1064449225 /nfs/dbraw/zinc/44/92/25/1064449225.db2.gz CKOJVYUEPPTFLJ-IRLDBZIGSA-N 1 0 454.619 2.599 20 0 JFADRO CC[C@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291844786 1064450857 /nfs/dbraw/zinc/45/08/57/1064450857.db2.gz JEUUZJCUALBDBR-UNMCSNQZSA-N 1 0 470.662 2.874 20 0 JFADRO CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291845843 1064452476 /nfs/dbraw/zinc/45/24/76/1064452476.db2.gz CHXNCIDIFDMIMB-MBSDFSHPSA-N 1 0 458.010 2.910 20 0 JFADRO CC[C@@H](c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001291845917 1064453530 /nfs/dbraw/zinc/45/35/30/1064453530.db2.gz UHBOFIVVVRKFQP-AKIFATBCSA-N 1 0 489.686 2.944 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC001296225368 1064454080 /nfs/dbraw/zinc/45/40/80/1064454080.db2.gz MZTATVNTHFJANZ-WIYYLYMNSA-N 1 0 487.693 2.812 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296228656 1064461004 /nfs/dbraw/zinc/46/10/04/1064461004.db2.gz PNAYAICHNCYVKL-KRWDZBQOSA-N 1 0 463.026 2.918 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859012 1064467838 /nfs/dbraw/zinc/46/78/38/1064467838.db2.gz DUTJDKAYBCOUCH-BAGYTPMASA-N 1 0 475.659 2.554 20 0 JFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233084 1064474321 /nfs/dbraw/zinc/47/43/21/1064474321.db2.gz ZNRTWMQHJJJZRQ-KZHWEAFPSA-N 1 0 452.599 2.559 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001296234361 1064478002 /nfs/dbraw/zinc/47/80/02/1064478002.db2.gz GCOLEWGWBADHSK-HXUWFJFHSA-N 1 0 468.650 2.846 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001296234900 1064481414 /nfs/dbraw/zinc/48/14/14/1064481414.db2.gz UEUWDHWKSUXEFY-WOJBJXKFSA-N 1 0 470.666 2.932 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001296234899 1064481480 /nfs/dbraw/zinc/48/14/80/1064481480.db2.gz UEUWDHWKSUXEFY-VQTJNVASSA-N 1 0 470.666 2.932 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001296235127 1064482313 /nfs/dbraw/zinc/48/23/13/1064482313.db2.gz YVUSREPFOMINDQ-NRFANRHFSA-N 1 0 478.645 2.799 20 0 JFADRO CC[C@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001291874238 1064491060 /nfs/dbraw/zinc/49/10/60/1064491060.db2.gz MUOZWTNHHZEAQS-NRFANRHFSA-N 1 0 462.664 2.678 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001296240720 1064491609 /nfs/dbraw/zinc/49/16/09/1064491609.db2.gz VVVNIWCKOLIPPU-UHFFFAOYSA-N 1 0 467.662 2.966 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001296241866 1064498990 /nfs/dbraw/zinc/49/89/90/1064498990.db2.gz NKSJLVBCBKJOIO-UHFFFAOYSA-N 1 0 489.064 2.986 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001296242680 1064502189 /nfs/dbraw/zinc/50/21/89/1064502189.db2.gz PGAHATXKSVCSCU-IBGZPJMESA-N 1 0 453.635 2.737 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC(=O)N1CCOCC1)c1ccccc1 ZINC001291880951 1064502970 /nfs/dbraw/zinc/50/29/70/1064502970.db2.gz JVFSZQYERWLERR-JOCHJYFZSA-N 1 0 468.646 2.989 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001296242933 1064503173 /nfs/dbraw/zinc/50/31/73/1064503173.db2.gz SVWYDLGRYKUWDU-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001296242932 1064503327 /nfs/dbraw/zinc/50/33/27/1064503327.db2.gz SVIJHIIYUOGBJX-UHFFFAOYSA-N 1 0 475.641 2.791 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291882638 1064504834 /nfs/dbraw/zinc/50/48/34/1064504834.db2.gz VJOQEDIAGCUMAY-ZEQRLZLVSA-N 1 0 468.646 2.725 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882888 1064505259 /nfs/dbraw/zinc/50/52/59/1064505259.db2.gz QDEXMZZSUYGZFK-DZGCQCFKSA-N 1 0 454.522 2.612 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882891 1064505411 /nfs/dbraw/zinc/50/54/11/1064505411.db2.gz QDEXMZZSUYGZFK-ZFWWWQNUSA-N 1 0 454.522 2.612 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)OC)CC2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291887536 1064508973 /nfs/dbraw/zinc/50/89/73/1064508973.db2.gz LILRDKPTRNJXDD-QFIPXVFZSA-N 1 0 484.645 2.944 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291887907 1064509264 /nfs/dbraw/zinc/50/92/64/1064509264.db2.gz KSEFYSGCIAYKKC-ATIYNZHBSA-N 1 0 468.646 2.725 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001296248697 1064510023 /nfs/dbraw/zinc/51/00/23/1064510023.db2.gz FQPPVDMEWUXUPZ-GOSISDBHSA-N 1 0 458.582 2.833 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCCC[NH+]1CCOCC1)c1ccccc1 ZINC001291888334 1064511587 /nfs/dbraw/zinc/51/15/87/1064511587.db2.gz RIPIXIQRUWZVEE-ZJSXRUAMSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCS(=O)(=O)N(C)C)c1ccccc1 ZINC001291888639 1064512527 /nfs/dbraw/zinc/51/25/27/1064512527.db2.gz WAOXHSBVPUDRIJ-FQEVSTJZSA-N 1 0 462.664 2.632 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)C)CC2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291888796 1064512965 /nfs/dbraw/zinc/51/29/65/1064512965.db2.gz XFYRPGSPKUBJGL-OAQYLSRUSA-N 1 0 462.664 2.678 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC(=O)N1CCOCC1)c1ccccc1 ZINC001291888847 1064513355 /nfs/dbraw/zinc/51/33/55/1064513355.db2.gz XYXOGHCNNLLGQQ-JOCHJYFZSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889175 1064513952 /nfs/dbraw/zinc/51/39/52/1064513952.db2.gz ZQTANGYXGGDGAK-ISKFKSNPSA-N 1 0 497.688 2.982 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291890662 1064516280 /nfs/dbraw/zinc/51/62/80/1064516280.db2.gz CNUPSSGUVOSTRS-LADGPHEKSA-N 1 0 481.689 2.762 20 0 JFADRO CCNC(=O)C1(Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC001296255864 1064518892 /nfs/dbraw/zinc/51/88/92/1064518892.db2.gz VGBYHBFBKHQVHQ-NHCUHLMSSA-N 1 0 459.683 2.703 20 0 JFADRO CCNC(=O)C1(Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC001296255865 1064518908 /nfs/dbraw/zinc/51/89/08/1064518908.db2.gz VGBYHBFBKHQVHQ-OYRHEFFESA-N 1 0 459.683 2.703 20 0 JFADRO CCNC(=O)C1(Cn2c([C@@H](C)CC)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)CCC1 ZINC001296256476 1064520243 /nfs/dbraw/zinc/52/02/43/1064520243.db2.gz IKCRQFXQCVCRTA-IBGZPJMESA-N 1 0 456.639 2.544 20 0 JFADRO C[C@@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001296257008 1064522092 /nfs/dbraw/zinc/52/20/92/1064522092.db2.gz IIKYTCUOYAPLRI-QGZVFWFLSA-N 1 0 459.612 2.808 20 0 JFADRO C[C@H](NC(=O)CCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257215 1064522334 /nfs/dbraw/zinc/52/23/34/1064522334.db2.gz GVTNYFGYUGWCDR-GJZGRUSLSA-N 1 0 450.377 2.683 20 0 JFADRO C[C@@H](NC(=O)CCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C(=O)c1ccc(Br)cc1 ZINC001296257216 1064522445 /nfs/dbraw/zinc/52/24/45/1064522445.db2.gz GVTNYFGYUGWCDR-HUUCEWRRSA-N 1 0 450.377 2.683 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291893933 1064523002 /nfs/dbraw/zinc/52/30/02/1064523002.db2.gz VNUDYVNZTSGWKL-AOHZBQACSA-N 1 0 481.689 2.761 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291893935 1064523149 /nfs/dbraw/zinc/52/31/49/1064523149.db2.gz VNUDYVNZTSGWKL-WMTXJRDZSA-N 1 0 481.689 2.761 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895909 1064527685 /nfs/dbraw/zinc/52/76/85/1064527685.db2.gz ZKNXOLDYYPRKOG-PKOBYXMFSA-N 1 0 482.551 2.655 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291897097 1064528680 /nfs/dbraw/zinc/52/86/80/1064528680.db2.gz AQIKMZAIZMDTQW-PEARBKPGSA-N 1 0 498.672 2.661 20 0 JFADRO CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001296269668 1064536817 /nfs/dbraw/zinc/53/68/17/1064536817.db2.gz BEIVNPRAYYUQCZ-SFTDATJTSA-N 1 0 490.693 2.867 20 0 JFADRO C[C@@H]1CN(Cc2csc(NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)n2)C[C@H](C)O1 ZINC001291917563 1064540752 /nfs/dbraw/zinc/54/07/52/1064540752.db2.gz AUEUQYIJMDJOIT-HLLBOEOZSA-N 1 0 455.625 2.536 20 0 JFADRO COC[C@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001291928021 1064547228 /nfs/dbraw/zinc/54/72/28/1064547228.db2.gz FSDBCFMDHQQCKT-DEOSSOPVSA-N 1 0 453.624 2.754 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC([NH+](CC)CC)CC2)c1 ZINC001296279116 1064549226 /nfs/dbraw/zinc/54/92/26/1064549226.db2.gz CGXURUMJTMFNQN-UHFFFAOYSA-N 1 0 464.618 2.787 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001296281833 1064552647 /nfs/dbraw/zinc/55/26/47/1064552647.db2.gz NFBYAZNVZNARCY-GOSISDBHSA-N 1 0 495.653 2.598 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001296283119 1064554646 /nfs/dbraw/zinc/55/46/46/1064554646.db2.gz KMEXFANSDZHJRJ-KNQAVFIVSA-N 1 0 487.718 2.978 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296286267 1064557746 /nfs/dbraw/zinc/55/77/46/1064557746.db2.gz IZEISGGNNCJAJA-LADGPHEKSA-N 1 0 481.689 2.960 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296286269 1064557770 /nfs/dbraw/zinc/55/77/70/1064557770.db2.gz IZEISGGNNCJAJA-VWNXMTODSA-N 1 0 481.689 2.960 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001296286966 1064558912 /nfs/dbraw/zinc/55/89/12/1064558912.db2.gz PRMIOBUEJGSWAY-OAQYLSRUSA-N 1 0 467.662 2.694 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001296288101 1064560667 /nfs/dbraw/zinc/56/06/67/1064560667.db2.gz HMKQSACYCQAZMT-QFIPXVFZSA-N 1 0 479.629 2.716 20 0 JFADRO CC1CC[NH+]([C@H](CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c2ccccc2)CC1 ZINC001291949288 1064560978 /nfs/dbraw/zinc/56/09/78/1064560978.db2.gz OQTZAXBLKZMKDK-HSZRJFAPSA-N 1 0 459.612 2.502 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1)[NH+]1CCOCC1 ZINC001291950660 1064561766 /nfs/dbraw/zinc/56/17/66/1064561766.db2.gz CFUSXLZMGFBRNS-XMMPIXPASA-N 1 0 486.636 2.754 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+]1CCOCC1 ZINC001291951536 1064563353 /nfs/dbraw/zinc/56/33/53/1064563353.db2.gz GGKCIYOAJCNGDJ-QFIPXVFZSA-N 1 0 475.682 2.923 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291951740 1064563617 /nfs/dbraw/zinc/56/36/17/1064563617.db2.gz FNBSDCLQLLQAMK-HXUWFJFHSA-N 1 0 461.010 2.672 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)[NH+](C)C ZINC001291951732 1064563750 /nfs/dbraw/zinc/56/37/50/1064563750.db2.gz FJRLIKBYXGKEPC-FGZHOGPDSA-N 1 0 497.644 2.793 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCOCC1 ZINC001291951749 1064563763 /nfs/dbraw/zinc/56/37/63/1064563763.db2.gz FOVZLQNOPHBJFN-XLIONFOSSA-N 1 0 490.052 2.797 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001296289253 1064564012 /nfs/dbraw/zinc/56/40/12/1064564012.db2.gz PUEQYYBGPXEBRV-QFIPXVFZSA-N 1 0 467.662 2.776 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2cnccn2)CC1)[NH+]1CCOCC1 ZINC001291951907 1064564584 /nfs/dbraw/zinc/56/45/84/1064564584.db2.gz IDZSWWLAXMIXQK-NRFANRHFSA-N 1 0 456.639 2.655 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC[NH+]2CCCC2)CC1 ZINC001296289741 1064565493 /nfs/dbraw/zinc/56/54/93/1064565493.db2.gz UGGWNDIGXBBJBD-UHFFFAOYSA-N 1 0 481.689 2.987 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001291952556 1064565716 /nfs/dbraw/zinc/56/57/16/1064565716.db2.gz LWLUOLIFFZDQOZ-TZIWHRDSSA-N 1 0 469.634 2.825 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nc3c2CCCC3)C1)[NH+](C)C ZINC001291954572 1064568417 /nfs/dbraw/zinc/56/84/17/1064568417.db2.gz VMCZZQSHKIPNBS-NRFANRHFSA-N 1 0 470.666 2.878 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296293512 1064569219 /nfs/dbraw/zinc/56/92/19/1064569219.db2.gz JFMYIIZAASSXMW-ZRBLBEILSA-N 1 0 489.709 2.536 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+]1CCOCC1 ZINC001291955413 1064570014 /nfs/dbraw/zinc/57/00/14/1064570014.db2.gz YWYPEWVCXVZDAW-QFIPXVFZSA-N 1 0 463.648 2.763 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+](C)C ZINC001291955397 1064570034 /nfs/dbraw/zinc/57/00/34/1064570034.db2.gz UYKMONVZYHRZTK-VQTJNVASSA-N 1 0 478.041 2.701 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001291956084 1064570838 /nfs/dbraw/zinc/57/08/38/1064570838.db2.gz YDWJSYBIVBGYSW-KNQAVFIVSA-N 1 0 486.617 2.970 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)[NH+](C)C ZINC001291956083 1064570880 /nfs/dbraw/zinc/57/08/80/1064570880.db2.gz YDWJSYBIVBGYSW-DENIHFKCSA-N 1 0 486.617 2.970 20 0 JFADRO CCC(CC)[C@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001291956312 1064571707 /nfs/dbraw/zinc/57/17/07/1064571707.db2.gz QWNYOGOAIYGJEV-PKTZIBPZSA-N 1 0 485.677 2.868 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001291961171 1064573319 /nfs/dbraw/zinc/57/33/19/1064573319.db2.gz CRFALEOSCKRQJS-RBUKOAKNSA-N 1 0 456.591 2.742 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291961608 1064574664 /nfs/dbraw/zinc/57/46/64/1064574664.db2.gz LRBPWRLEAWMNDP-WOJBJXKFSA-N 1 0 491.658 2.706 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001296297845 1064575009 /nfs/dbraw/zinc/57/50/09/1064575009.db2.gz NNQCTDKLOYAGCA-UHFFFAOYSA-N 1 0 497.688 2.546 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291962201 1064575579 /nfs/dbraw/zinc/57/55/79/1064575579.db2.gz ABSAIWLCPBVNID-NHCUHLMSSA-N 1 0 456.639 2.713 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001291965693 1064578425 /nfs/dbraw/zinc/57/84/25/1064578425.db2.gz ZBZGCQZUVDSFQR-RJGXRXQPSA-N 1 0 457.619 2.932 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001291966189 1064579230 /nfs/dbraw/zinc/57/92/30/1064579230.db2.gz JLWMDWNLQIYFON-GOTSBHOMSA-N 1 0 490.693 2.614 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291966293 1064579739 /nfs/dbraw/zinc/57/97/39/1064579739.db2.gz KFNRYWSMKOMJIK-SIKLNZKXSA-N 1 0 496.722 2.543 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291966447 1064580109 /nfs/dbraw/zinc/58/01/09/1064580109.db2.gz WLYVLDGHCCTADU-NFBKMPQASA-N 1 0 471.650 2.715 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001296301985 1064581226 /nfs/dbraw/zinc/58/12/26/1064581226.db2.gz MFZUCZDYRXPNFM-QFIPXVFZSA-N 1 0 498.676 2.975 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291967127 1064582068 /nfs/dbraw/zinc/58/20/68/1064582068.db2.gz GUSLJOHNIFEXTR-RBUKOAKNSA-N 1 0 489.583 2.813 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001291967358 1064582841 /nfs/dbraw/zinc/58/28/41/1064582841.db2.gz INSLABQPLQMWEK-OAQYLSRUSA-N 1 0 499.635 2.895 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001291967356 1064583005 /nfs/dbraw/zinc/58/30/05/1064583005.db2.gz IMNNVJHJFONVDT-TZIWHRDSSA-N 1 0 457.598 2.588 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001291967688 1064583191 /nfs/dbraw/zinc/58/31/91/1064583191.db2.gz QOKOAYPGMYBNBO-QFIPXVFZSA-N 1 0 453.635 2.947 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001291968487 1064583966 /nfs/dbraw/zinc/58/39/66/1064583966.db2.gz PWGHRBVVONFSQX-GOSISDBHSA-N 1 0 461.655 2.754 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)[NH+](C)C ZINC001291968508 1064584422 /nfs/dbraw/zinc/58/44/22/1064584422.db2.gz QAYSGABNLDONIS-RTBURBONSA-N 1 0 490.678 2.855 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001296306691 1064585366 /nfs/dbraw/zinc/58/53/66/1064585366.db2.gz LNFQEAYZUQIYFN-FQEVSTJZSA-N 1 0 469.634 2.927 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291972523 1064586713 /nfs/dbraw/zinc/58/67/13/1064586713.db2.gz BEHQDCYFUAXXSQ-PMACEKPBSA-N 1 0 491.681 2.870 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1)[NH+](C)C ZINC001291973007 1064587419 /nfs/dbraw/zinc/58/74/19/1064587419.db2.gz DMOPVPDKSSOMMW-HXUWFJFHSA-N 1 0 478.707 2.869 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291974279 1064588974 /nfs/dbraw/zinc/58/89/74/1064588974.db2.gz LKHPBALNYQUTQD-RTWAWAEBSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+](C)C ZINC001291974679 1064589341 /nfs/dbraw/zinc/58/93/41/1064589341.db2.gz NNXOPXMGSQZTQY-DHIUTWEWSA-N 1 0 481.645 2.668 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001291975297 1064589723 /nfs/dbraw/zinc/58/97/23/1064589723.db2.gz RHQCEJXKVJUBCS-RBBKRZOGSA-N 1 0 459.639 2.502 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001291975299 1064590152 /nfs/dbraw/zinc/59/01/52/1064590152.db2.gz RHQCEJXKVJUBCS-UNMCSNQZSA-N 1 0 459.639 2.502 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C)C1)[NH+]1CCOCC1 ZINC001291975723 1064590886 /nfs/dbraw/zinc/59/08/86/1064590886.db2.gz YASRLAZYYWVNFY-DYESRHJHSA-N 1 0 462.664 2.996 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001296312734 1064593142 /nfs/dbraw/zinc/59/31/42/1064593142.db2.gz YAEGJDIVOGOPPL-WOJBJXKFSA-N 1 0 468.650 2.948 20 0 JFADRO CCC(CC)c1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)on1 ZINC001291978604 1064594077 /nfs/dbraw/zinc/59/40/77/1064594077.db2.gz NJOHPLUBQUTLIK-UHFFFAOYSA-N 1 0 487.649 2.905 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001296315330 1064594092 /nfs/dbraw/zinc/59/40/92/1064594092.db2.gz OZSHUQXKYIPAAZ-FCHUYYIVSA-N 1 0 469.634 2.717 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1)[NH+](C)C ZINC001291979421 1064594359 /nfs/dbraw/zinc/59/43/59/1064594359.db2.gz RXOAZLUMPSNNII-IMSXRSKXSA-N 1 0 459.639 2.982 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296315556 1064594747 /nfs/dbraw/zinc/59/47/47/1064594747.db2.gz RYWRIAZPAULNIR-UXHICEINSA-N 1 0 461.655 2.534 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001296315720 1064595509 /nfs/dbraw/zinc/59/55/09/1064595509.db2.gz UQGWJMFBXOAVAZ-JOCHJYFZSA-N 1 0 475.682 2.782 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001296316258 1064596655 /nfs/dbraw/zinc/59/66/55/1064596655.db2.gz RBTYCCSWWNOLIU-FQEVSTJZSA-N 1 0 487.555 2.895 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CC1 ZINC001291985615 1064597506 /nfs/dbraw/zinc/59/75/06/1064597506.db2.gz BMIWLTNHKRSLDK-OAQYLSRUSA-N 1 0 454.619 2.822 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001296317430 1064599929 /nfs/dbraw/zinc/59/99/29/1064599929.db2.gz OQJOKCTYQWXZEM-QFIPXVFZSA-N 1 0 480.592 2.557 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccn(C)n1 ZINC001291987496 1064601044 /nfs/dbraw/zinc/60/10/44/1064601044.db2.gz BAYVLRVRTRPORL-QFIPXVFZSA-N 1 0 464.618 2.689 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001296325128 1064614678 /nfs/dbraw/zinc/61/46/78/1064614678.db2.gz SNNYDNLLYVZQLD-HXUWFJFHSA-N 1 0 487.624 2.968 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2([NH+](C)C)CCC2)C1 ZINC001296325293 1064615928 /nfs/dbraw/zinc/61/59/28/1064615928.db2.gz FXEBEYGUZWMDAZ-SFHVURJKSA-N 1 0 498.600 2.549 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001291998838 1064617197 /nfs/dbraw/zinc/61/71/97/1064617197.db2.gz GQFWFZMPPQKZRJ-UHFFFAOYSA-N 1 0 479.633 2.878 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001296328861 1064625890 /nfs/dbraw/zinc/62/58/90/1064625890.db2.gz DVWPZQGIYQERPW-NRFANRHFSA-N 1 0 460.648 2.585 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001296329729 1064628520 /nfs/dbraw/zinc/62/85/20/1064628520.db2.gz LQGBDQYOKLANQJ-TZIWHRDSSA-N 1 0 474.675 2.894 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@H]1CCCO1 ZINC001292008593 1064630436 /nfs/dbraw/zinc/63/04/36/1064630436.db2.gz OFLXCKNZDBHABX-VLCRHTCISA-N 1 0 486.665 2.628 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001292018054 1064652337 /nfs/dbraw/zinc/65/23/37/1064652337.db2.gz ONPOBYQSSLSVLL-JOCHJYFZSA-N 1 0 484.645 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001292018273 1064652387 /nfs/dbraw/zinc/65/23/87/1064652387.db2.gz PXUVWZOZTMKJPG-UHFFFAOYSA-N 1 0 454.619 2.521 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001292018055 1064652406 /nfs/dbraw/zinc/65/24/06/1064652406.db2.gz ONPOBYQSSLSVLL-QFIPXVFZSA-N 1 0 484.645 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292020072 1064659538 /nfs/dbraw/zinc/65/95/38/1064659538.db2.gz FHXIHDWQWWTQHD-ROUUACIJSA-N 1 0 466.696 2.762 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001292023315 1064669069 /nfs/dbraw/zinc/66/90/69/1064669069.db2.gz OUKJUVNGZRFWKB-SHNDDRJUSA-N 1 0 478.682 2.946 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001292023309 1064669160 /nfs/dbraw/zinc/66/91/60/1064669160.db2.gz OUKJUVNGZRFWKB-JRINMYIISA-N 1 0 478.682 2.946 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292023365 1064669924 /nfs/dbraw/zinc/66/99/24/1064669924.db2.gz PNHKEQOLXVQKMU-CEWLAPEOSA-N 1 0 464.655 2.557 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292023366 1064670367 /nfs/dbraw/zinc/67/03/67/1064670367.db2.gz PNHKEQOLXVQKMU-JBACZVJFSA-N 1 0 464.655 2.557 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCC[NH+]1CCCCC1 ZINC001292025300 1064675447 /nfs/dbraw/zinc/67/54/47/1064675447.db2.gz VXSXKLYFCUVNRD-FQEVSTJZSA-N 1 0 476.666 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025922 1064678230 /nfs/dbraw/zinc/67/82/30/1064678230.db2.gz XCHZBYUSIMDTRJ-ROUUACIJSA-N 1 0 491.681 2.982 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCCn1ccnc1C ZINC001292029701 1064683157 /nfs/dbraw/zinc/68/31/57/1064683157.db2.gz DYEZXTWAUPYFRM-RXVVDRJESA-N 1 0 456.639 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCCn1ccnc1C ZINC001292029699 1064683200 /nfs/dbraw/zinc/68/32/00/1064683200.db2.gz DYEZXTWAUPYFRM-GHTZIAJQSA-N 1 0 456.639 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCn1cc(Br)cn1 ZINC001292029779 1064683924 /nfs/dbraw/zinc/68/39/24/1064683924.db2.gz GCFMJMQJNZKUFM-QAPCUYQASA-N 1 0 493.454 2.529 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1C[C@](C)(O)c1ccccc1 ZINC001292030076 1064685970 /nfs/dbraw/zinc/68/59/70/1064685970.db2.gz LHTISLVYFQADCA-QLWBXOBMSA-N 1 0 454.619 2.777 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001292035242 1064695509 /nfs/dbraw/zinc/69/55/09/1064695509.db2.gz BVWYOQFWLYUROX-NRFANRHFSA-N 1 0 470.618 2.889 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001292035243 1064695571 /nfs/dbraw/zinc/69/55/71/1064695571.db2.gz BVWYOQFWLYUROX-OAQYLSRUSA-N 1 0 470.618 2.889 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001292046391 1064711114 /nfs/dbraw/zinc/71/11/14/1064711114.db2.gz SVNHLHGUPNHGPX-IGKWTDBASA-N 1 0 498.672 2.673 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)=C(C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292046698 1064711654 /nfs/dbraw/zinc/71/16/54/1064711654.db2.gz VLROKXDPASFTPE-NRFANRHFSA-N 1 0 473.666 2.686 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292053902 1064719527 /nfs/dbraw/zinc/71/95/27/1064719527.db2.gz UMYUDWBJBBNKMB-YADARESESA-N 1 0 478.707 2.887 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCn1cc(C)cn1 ZINC001292054804 1064721900 /nfs/dbraw/zinc/72/19/00/1064721900.db2.gz KGQDNZOBEBVPNX-FQEVSTJZSA-N 1 0 456.639 2.714 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H]1CC1(C)C ZINC001292063673 1064737849 /nfs/dbraw/zinc/73/78/49/1064737849.db2.gz XKIBCBYLUYIWIQ-PZJWPPBQSA-N 1 0 459.683 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292066520 1064744213 /nfs/dbraw/zinc/74/42/13/1064744213.db2.gz MLDHCVPEHNKZNO-BWKNWUBXSA-N 1 0 472.609 2.774 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292073113 1064751712 /nfs/dbraw/zinc/75/17/12/1064751712.db2.gz CUMHQPNHPXHWPM-OAQYLSRUSA-N 1 0 468.650 2.560 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292077473 1064759562 /nfs/dbraw/zinc/75/95/62/1064759562.db2.gz YLLOODPHRQUYED-FCHUYYIVSA-N 1 0 466.721 2.967 20 0 JFADRO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC001292077525 1064760072 /nfs/dbraw/zinc/76/00/72/1064760072.db2.gz LLTLHMMCYBQXPQ-HXUWFJFHSA-N 1 0 457.596 2.899 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078153 1064760477 /nfs/dbraw/zinc/76/04/77/1064760477.db2.gz CMEQTIBBSVBKLT-NQIIRXRSSA-N 1 0 487.693 2.954 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001292078920 1064761589 /nfs/dbraw/zinc/76/15/89/1064761589.db2.gz MJYNLPMEITXCDJ-UFYCRDLUSA-N 1 0 488.564 2.753 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)nc3C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292088981 1064772884 /nfs/dbraw/zinc/77/28/84/1064772884.db2.gz GXUWOMCPPSQRTR-GCJKJVERSA-N 1 0 485.681 2.978 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292090467 1064775142 /nfs/dbraw/zinc/77/51/42/1064775142.db2.gz OVUMVDTZJLJEDP-ONTIZHBOSA-N 1 0 485.681 2.998 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095139 1064786401 /nfs/dbraw/zinc/78/64/01/1064786401.db2.gz TWTBMGDPRJNGDQ-SFTDATJTSA-N 1 0 490.693 2.829 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292094959 1064786442 /nfs/dbraw/zinc/78/64/42/1064786442.db2.gz RNDRPJHKISZUJJ-WMZOPIPTSA-N 1 0 458.611 2.756 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292099924 1064790558 /nfs/dbraw/zinc/79/05/58/1064790558.db2.gz FNDSSOQXSQNTDK-DYESRHJHSA-N 1 0 454.710 2.966 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CCC[C@@H]32)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292101257 1064792225 /nfs/dbraw/zinc/79/22/25/1064792225.db2.gz MAKXQCJLJYZNKS-URVUXULASA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC(=O)N(C)C1CCCCC1 ZINC001292104208 1064796266 /nfs/dbraw/zinc/79/62/66/1064796266.db2.gz BADNJFOCJLJNTJ-UHFFFAOYSA-N 1 0 475.682 2.908 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H]1CC[C@H](F)C1 ZINC001292104421 1064797058 /nfs/dbraw/zinc/79/70/58/1064797058.db2.gz FICNDGAMJYCEBS-QUCCMNQESA-N 1 0 474.629 2.781 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CC1(COC)CCOCC1 ZINC001292104738 1064797393 /nfs/dbraw/zinc/79/73/93/1064797393.db2.gz IMAKYVICTCQEQK-UHFFFAOYSA-N 1 0 478.682 2.950 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001292105228 1064798680 /nfs/dbraw/zinc/79/86/80/1064798680.db2.gz LHCCBMOOMSSDED-PXDATVDWSA-N 1 0 476.666 2.845 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001292105459 1064798707 /nfs/dbraw/zinc/79/87/07/1064798707.db2.gz KXHKAIVBBRFWJW-IBGZPJMESA-N 1 0 475.682 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001292105811 1064800428 /nfs/dbraw/zinc/80/04/28/1064800428.db2.gz PGEIYWFJWZMNEW-UHFFFAOYSA-N 1 0 494.706 2.619 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292106574 1064804223 /nfs/dbraw/zinc/80/42/23/1064804223.db2.gz XXEMGRZMZAAYBG-GOSISDBHSA-N 1 0 473.588 2.755 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001292109202 1064806940 /nfs/dbraw/zinc/80/69/40/1064806940.db2.gz GESBKPPTSXHQBK-FYYLOGMGSA-N 1 0 489.709 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccco3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001292110483 1064813517 /nfs/dbraw/zinc/81/35/17/1064813517.db2.gz JCUODEPFZRVRJF-HXUWFJFHSA-N 1 0 499.660 2.872 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292110537 1064814259 /nfs/dbraw/zinc/81/42/59/1064814259.db2.gz KGKTZCLZYDMBAG-IBGZPJMESA-N 1 0 499.635 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292110886 1064817664 /nfs/dbraw/zinc/81/76/64/1064817664.db2.gz OKTZUZNJQPQMDP-IBGZPJMESA-N 1 0 499.635 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CC[NH+]1CCCCC1 ZINC001292110996 1064818683 /nfs/dbraw/zinc/81/86/83/1064818683.db2.gz QAMJDBJNIYXMCO-UHFFFAOYSA-N 1 0 495.672 2.953 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001292113299 1064821651 /nfs/dbraw/zinc/82/16/51/1064821651.db2.gz CTDBJHFHLDETGL-UHFFFAOYSA-N 1 0 499.660 2.973 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001292113619 1064823432 /nfs/dbraw/zinc/82/34/32/1064823432.db2.gz LBDVCMMKALVFTM-HXUWFJFHSA-N 1 0 477.654 2.595 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001292113925 1064825356 /nfs/dbraw/zinc/82/53/56/1064825356.db2.gz PZCCXMCKTCJEEY-OALUTQOASA-N 1 0 477.654 2.595 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001292113977 1064825388 /nfs/dbraw/zinc/82/53/88/1064825388.db2.gz QRKZQYRZIOJYQD-UHFFFAOYSA-N 1 0 497.644 2.729 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292114735 1064829921 /nfs/dbraw/zinc/82/99/21/1064829921.db2.gz HTUWXWGPGHRHOS-FHWLQOOXSA-N 1 0 475.682 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001292117757 1064844906 /nfs/dbraw/zinc/84/49/06/1064844906.db2.gz XAMRBEDXKCYUBK-UHFFFAOYSA-N 1 0 458.655 2.936 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(O)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292118108 1064848556 /nfs/dbraw/zinc/84/85/56/1064848556.db2.gz WXTLGHVGJVCCPG-NRFANRHFSA-N 1 0 469.634 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001292122567 1064858179 /nfs/dbraw/zinc/85/81/79/1064858179.db2.gz UGYSCHFOXZORMA-JOCHJYFZSA-N 1 0 497.692 2.886 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292122789 1064859249 /nfs/dbraw/zinc/85/92/49/1064859249.db2.gz WZBSUYQVVCMQEF-GOSISDBHSA-N 1 0 474.679 2.772 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001292123301 1064861182 /nfs/dbraw/zinc/86/11/82/1064861182.db2.gz BUYFMNJIIMMGRK-JOCHJYFZSA-N 1 0 495.672 2.742 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001292125415 1064869239 /nfs/dbraw/zinc/86/92/39/1064869239.db2.gz CSUJVWYJFVLGLL-HSZRJFAPSA-N 1 0 466.630 2.906 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CC(F)(F)F ZINC001292125743 1064871164 /nfs/dbraw/zinc/87/11/64/1064871164.db2.gz FLXQKHJAXVDNCG-IRXDYDNUSA-N 1 0 473.588 2.754 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1C[C@H]1C ZINC001292125921 1064872341 /nfs/dbraw/zinc/87/23/41/1064872341.db2.gz MZEZRCAPVNUCBD-UXHICEINSA-N 1 0 459.683 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1CC(F)(F)C1 ZINC001292126402 1064875145 /nfs/dbraw/zinc/87/51/45/1064875145.db2.gz OVNYCDPUVRTLET-INIZCTEOSA-N 1 0 468.593 2.931 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1Cc1cccc(N(C)C)c1 ZINC001292126448 1064875551 /nfs/dbraw/zinc/87/55/51/1064875551.db2.gz QNYNIJWSPGIBGF-UHFFFAOYSA-N 1 0 453.635 2.985 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1csc(C)n1 ZINC001292126718 1064877431 /nfs/dbraw/zinc/87/74/31/1064877431.db2.gz SRFQLNVSUXZULU-QGZVFWFLSA-N 1 0 489.690 2.894 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1Cc1cc(C)no1 ZINC001292127070 1064879918 /nfs/dbraw/zinc/87/99/18/1064879918.db2.gz URKGLVTUVDIDJZ-UHFFFAOYSA-N 1 0 465.602 2.906 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCn3nc(C)nc3C2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292133967 1064890726 /nfs/dbraw/zinc/89/07/26/1064890726.db2.gz MTEGDYLBPISFJX-OALUTQOASA-N 1 0 485.681 2.875 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001292134071 1064891331 /nfs/dbraw/zinc/89/13/31/1064891331.db2.gz PIGAAULBQXAWPW-XSJBNIOMSA-N 1 0 486.686 2.798 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCCc1nnc(C)s1 ZINC001292134343 1064893197 /nfs/dbraw/zinc/89/31/97/1064893197.db2.gz RFERHCNTOHCSNZ-SFHVURJKSA-N 1 0 460.652 2.664 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292135409 1064900230 /nfs/dbraw/zinc/90/02/30/1064900230.db2.gz KFLYBUDNVRCMOA-QRVBRYPASA-N 1 0 464.655 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292137736 1064904724 /nfs/dbraw/zinc/90/47/24/1064904724.db2.gz WRTDQRVUSJUHBG-FNZWTVRRSA-N 1 0 491.725 2.864 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nnc(C)o3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292143118 1064910756 /nfs/dbraw/zinc/91/07/56/1064910756.db2.gz AOJWQERPDIRPCO-MOPGFXCFSA-N 1 0 488.637 2.586 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292144949 1064917742 /nfs/dbraw/zinc/91/77/42/1064917742.db2.gz RHLTWWXFIBYKPR-HKUYNNGSSA-N 1 0 488.637 2.623 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001292145253 1064918424 /nfs/dbraw/zinc/91/84/24/1064918424.db2.gz SQEJBKRCCNAEJL-IEBWSBKVSA-N 1 0 475.663 2.963 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001292146191 1064923079 /nfs/dbraw/zinc/92/30/79/1064923079.db2.gz MSOILDMYVLNLNA-UHFFFAOYSA-N 1 0 486.686 2.799 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)[NH+](C)C ZINC001292153158 1064932471 /nfs/dbraw/zinc/93/24/71/1064932471.db2.gz CRLUNTCTDICDAE-FFZOFVMBSA-N 1 0 491.681 2.886 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001292154165 1064933321 /nfs/dbraw/zinc/93/33/21/1064933321.db2.gz SXMSSQVAFATQLG-UXPWSPDFSA-N 1 0 487.674 2.523 20 0 JFADRO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC001292156131 1064937582 /nfs/dbraw/zinc/93/75/82/1064937582.db2.gz SPTJSRMTVXMTOC-XLNZFTOWSA-N 1 0 453.624 2.798 20 0 JFADRO CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1(C)C ZINC001292156130 1064937774 /nfs/dbraw/zinc/93/77/74/1064937774.db2.gz SPTJSRMTVXMTOC-KHCICDEESA-N 1 0 453.624 2.798 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1C)[N@@H+]1CCc2ccccc2C1 ZINC001292160119 1064941550 /nfs/dbraw/zinc/94/15/50/1064941550.db2.gz NFYRQZDKRIRJFP-HSZRJFAPSA-N 1 0 478.645 2.932 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001292162461 1064947821 /nfs/dbraw/zinc/94/78/21/1064947821.db2.gz JMHMVEJZSSNSDF-NRFANRHFSA-N 1 0 475.037 2.945 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2C)CC1)[NH+]1CCCC1 ZINC001292162799 1064947845 /nfs/dbraw/zinc/94/78/45/1064947845.db2.gz KVYDMKGUOVFAAD-JOCHJYFZSA-N 1 0 495.672 2.998 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162954 1064948300 /nfs/dbraw/zinc/94/83/00/1064948300.db2.gz LQOOUBHVYCXSAM-PMACEKPBSA-N 1 0 488.608 2.572 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)Oc1ccccc1F ZINC001292162956 1064948323 /nfs/dbraw/zinc/94/83/23/1064948323.db2.gz LQOOUBHVYCXSAM-UXHICEINSA-N 1 0 488.608 2.572 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001292164680 1064950736 /nfs/dbraw/zinc/95/07/36/1064950736.db2.gz RHJBZCBQQMGRDQ-MOPGFXCFSA-N 1 0 477.654 2.736 20 0 JFADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292165196 1064951391 /nfs/dbraw/zinc/95/13/91/1064951391.db2.gz UHAKRLRRKXNCBW-FPOVZHCZSA-N 1 0 467.618 2.689 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(F)c2)C1)[NH+]1CCCC1 ZINC001292170815 1064956474 /nfs/dbraw/zinc/95/64/74/1064956474.db2.gz DSKAETSCRWGAGZ-SLYNCCJLSA-N 1 0 478.638 2.896 20 0 JFADRO CC[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292174857 1064964441 /nfs/dbraw/zinc/96/44/41/1064964441.db2.gz ZKNCGOAGUOYKBS-GXKRZCMTSA-N 1 0 489.592 2.792 20 0 JFADRO COc1ccc(-n2nc(C(=O)N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc2C)cc1 ZINC001292178993 1064969097 /nfs/dbraw/zinc/96/90/97/1064969097.db2.gz NIFAAWFILCGXBQ-UHFFFAOYSA-N 1 0 455.603 2.746 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292179195 1064969165 /nfs/dbraw/zinc/96/91/65/1064969165.db2.gz IQSGHFKBCADIPD-FXAWDEMLSA-N 1 0 481.066 2.943 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)OC ZINC001292181241 1064971261 /nfs/dbraw/zinc/97/12/61/1064971261.db2.gz SEXNDNTXMBFDTN-NVXWUHKLSA-N 1 0 467.412 2.619 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)OC ZINC001292181242 1064971288 /nfs/dbraw/zinc/97/12/88/1064971288.db2.gz SEXNDNTXMBFDTN-RDJZCZTQSA-N 1 0 467.412 2.619 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001292184636 1064975682 /nfs/dbraw/zinc/97/56/82/1064975682.db2.gz KVJXQIDVFWDMKQ-PMACEKPBSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)OC ZINC001292186103 1064977425 /nfs/dbraw/zinc/97/74/25/1064977425.db2.gz PKESYIDRXWMRHL-WOJBJXKFSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001292187730 1064980222 /nfs/dbraw/zinc/98/02/22/1064980222.db2.gz XQDJKCNCGRKONO-LJQANCHMSA-N 1 0 496.081 2.776 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292192830 1064985297 /nfs/dbraw/zinc/98/52/97/1064985297.db2.gz NOJHOSQZXUBNHD-WOJBJXKFSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001292194741 1064986633 /nfs/dbraw/zinc/98/66/33/1064986633.db2.gz DHZPESQIDLZWPY-LPHOPBHVSA-N 1 0 491.434 2.533 20 0 JFADRO CC[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](C)C(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292199745 1064991146 /nfs/dbraw/zinc/99/11/46/1064991146.db2.gz QBZICEBNGLRNCX-AUSIDOKSSA-N 1 0 461.614 2.995 20 0 JFADRO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+]1CCCC1 ZINC001292207236 1064995448 /nfs/dbraw/zinc/99/54/48/1064995448.db2.gz JNZARMFUAJCXIQ-HXUWFJFHSA-N 1 0 470.622 2.914 20 0 JFADRO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+](CCOC(C)C)CC1)NC(=O)OC(C)(C)C ZINC001292208140 1064996903 /nfs/dbraw/zinc/99/69/03/1064996903.db2.gz NYZDAKTUKVJYLY-LJQANCHMSA-N 1 0 488.637 2.585 20 0 JFADRO CC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@H+](CC)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212055 1065002329 /nfs/dbraw/zinc/00/23/29/1065002329.db2.gz OKGZCGJWIMHWMU-IAGOWNOFSA-N 1 0 489.621 2.840 20 0 JFADRO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)OC ZINC001292212787 1065003076 /nfs/dbraw/zinc/00/30/76/1065003076.db2.gz WLZTXKYQQLQKGQ-RCCFBDPRSA-N 1 0 453.591 2.536 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1)OC ZINC001292222670 1065009182 /nfs/dbraw/zinc/00/91/82/1065009182.db2.gz GAKNMJAOTQYRSM-KNKQGSTJSA-N 1 0 459.591 2.763 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225103 1065011801 /nfs/dbraw/zinc/01/18/01/1065011801.db2.gz LTPDLTFXYDPMBB-NJDAHSKKSA-N 1 0 492.665 2.634 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OC ZINC001292225874 1065013266 /nfs/dbraw/zinc/01/32/66/1065013266.db2.gz QEPHBDSIUBAGEG-YPAWHYETSA-N 1 0 475.659 2.564 20 0 JFADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC001292226146 1065013617 /nfs/dbraw/zinc/01/36/17/1065013617.db2.gz UOGVJYRXZUEVNQ-HSALFYBXSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292236873 1065021008 /nfs/dbraw/zinc/02/10/08/1065021008.db2.gz QOEZQXPAJXEFDU-SFTDATJTSA-N 1 0 475.659 2.765 20 0 JFADRO CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292239228 1065023368 /nfs/dbraw/zinc/02/33/68/1065023368.db2.gz LANNXFAHRNFSPY-MOPGFXCFSA-N 1 0 451.662 2.818 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001292254047 1065036714 /nfs/dbraw/zinc/03/67/14/1065036714.db2.gz HXYABVBIQOSUOX-INIZCTEOSA-N 1 0 467.401 2.975 20 0 JFADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001292255407 1065037845 /nfs/dbraw/zinc/03/78/45/1065037845.db2.gz NEEHTZFQZXJCRX-ZRNYENFQSA-N 1 0 489.665 2.590 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCCC1 ZINC001292255871 1065038539 /nfs/dbraw/zinc/03/85/39/1065038539.db2.gz RIQYQULSTCXXLV-ICSRJNTNSA-N 1 0 458.582 2.962 20 0 JFADRO CC[C@H](Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292256414 1065038779 /nfs/dbraw/zinc/03/87/79/1065038779.db2.gz UKJSAHWNNQOSLB-REHUZNOOSA-N 1 0 463.623 2.583 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292261800 1065040863 /nfs/dbraw/zinc/04/08/63/1065040863.db2.gz KKXONSJBNQARQA-UAFMIMERSA-N 1 0 467.680 2.694 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001292267918 1065047733 /nfs/dbraw/zinc/04/77/33/1065047733.db2.gz NUPNXCFUDACGJD-WOJBJXKFSA-N 1 0 492.690 2.540 20 0 JFADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292271698 1065049290 /nfs/dbraw/zinc/04/92/90/1065049290.db2.gz ABXJPSRSTZVGSB-JOCHJYFZSA-N 1 0 452.599 2.632 20 0 JFADRO C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC001292292516 1065064390 /nfs/dbraw/zinc/06/43/90/1065064390.db2.gz FEHICBINYPKOTN-XFKAJCMBSA-N 1 0 453.461 2.551 20 0 JFADRO CC[C@@]1(C)CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)O1 ZINC001292295029 1065066978 /nfs/dbraw/zinc/06/69/78/1065066978.db2.gz FEIFTNZLFFTGGO-OFVILXPXSA-N 1 0 486.665 2.561 20 0 JFADRO O=C(Cc1ccccc1F)N1C[C@H](O)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001292331392 1065087789 /nfs/dbraw/zinc/08/77/89/1065087789.db2.gz XVDDPBLLLCKKSZ-IRLDBZIGSA-N 1 0 457.571 2.518 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCO1 ZINC001292347904 1065095318 /nfs/dbraw/zinc/09/53/18/1065095318.db2.gz XSQBHHYIYHKPNM-KEXUJGGDSA-N 1 0 484.711 2.650 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292352897 1065097251 /nfs/dbraw/zinc/09/72/51/1065097251.db2.gz HCYILSWYDNMRTC-DVECYGJZSA-N 1 0 490.052 2.942 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292353533 1065097936 /nfs/dbraw/zinc/09/79/36/1065097936.db2.gz KUSCOEAYVPSCEF-DVECYGJZSA-N 1 0 458.607 2.795 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292353535 1065098159 /nfs/dbraw/zinc/09/81/59/1065098159.db2.gz KUSCOEAYVPSCEF-YADARESESA-N 1 0 458.607 2.795 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001292377473 1065120160 /nfs/dbraw/zinc/12/01/60/1065120160.db2.gz ZTFCCAHXBQKAFR-ROYUMMMZSA-N 1 0 479.666 2.895 20 0 JFADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC001292377469 1065120197 /nfs/dbraw/zinc/12/01/97/1065120197.db2.gz BSNYKJBPBGSKDI-UHFFFAOYSA-N 1 0 457.596 2.860 20 0 JFADRO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001292378088 1065120843 /nfs/dbraw/zinc/12/08/43/1065120843.db2.gz UYWNYDSAHDVXPJ-PKOBYXMFSA-N 1 0 452.669 2.922 20 0 JFADRO C[NH+](C)CCn1c2cc(C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)ccc2[nH]c1=O ZINC001292423369 1065153680 /nfs/dbraw/zinc/15/36/80/1065153680.db2.gz URNQYQKHTIZQQP-UHFFFAOYSA-N 1 0 453.524 2.751 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001292456578 1065177866 /nfs/dbraw/zinc/17/78/66/1065177866.db2.gz FWZSLHXEJDLZPT-QHCPKHFHSA-N 1 0 478.645 2.849 20 0 JFADRO CCc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001292458989 1065183661 /nfs/dbraw/zinc/18/36/61/1065183661.db2.gz UCYMVOFZIILITF-QFIPXVFZSA-N 1 0 456.635 2.825 20 0 JFADRO CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001292459216 1065184263 /nfs/dbraw/zinc/18/42/63/1065184263.db2.gz CZWLDSPAOMWRTG-QHCPKHFHSA-N 1 0 495.672 2.570 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)[NH+](C)C)cc1 ZINC001292459644 1065185444 /nfs/dbraw/zinc/18/54/44/1065185444.db2.gz DHAHIAOITIEZSO-JTHBVZDNSA-N 1 0 454.619 2.752 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)[NH+](C)C)cc1 ZINC001292460524 1065188306 /nfs/dbraw/zinc/18/83/06/1065188306.db2.gz IDJABODKZLXYQC-FCHUYYIVSA-N 1 0 492.690 2.711 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC001292463975 1065193354 /nfs/dbraw/zinc/19/33/54/1065193354.db2.gz ZHYPRKKPWPRHHU-GPJHCHHRSA-N 1 0 484.645 2.569 20 0 JFADRO CCc1ccc(-c2nnc(N(C)Cc3cnn(C)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001292468349 1065194596 /nfs/dbraw/zinc/19/45/96/1065194596.db2.gz OMNAWHZGMSIZIX-UHFFFAOYSA-N 1 0 450.635 2.903 20 0 JFADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC001292495600 1065213610 /nfs/dbraw/zinc/21/36/10/1065213610.db2.gz BYCAMGUKPOGIAF-DNVJHFABSA-N 1 0 457.615 2.795 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC(C)(C)C(=O)NC)cc1 ZINC001292499838 1065220134 /nfs/dbraw/zinc/22/01/34/1065220134.db2.gz ZBGQFFXKBWGWHJ-QHCPKHFHSA-N 1 0 481.689 2.884 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292507196 1065225017 /nfs/dbraw/zinc/22/50/17/1065225017.db2.gz RJPWLQZBSWRAFS-JOCHJYFZSA-N 1 0 474.675 2.900 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001292507549 1065225492 /nfs/dbraw/zinc/22/54/92/1065225492.db2.gz JZFFOCBIZDMDFZ-ZBLYBZFDSA-N 1 0 482.673 2.953 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001292509672 1065227950 /nfs/dbraw/zinc/22/79/50/1065227950.db2.gz UWQFBNOOZCPZDZ-QUCCMNQESA-N 1 0 462.664 2.565 20 0 JFADRO CCc1ccc(-c2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CCC[NH+]2CCCCC2)cc1 ZINC001292512879 1065231109 /nfs/dbraw/zinc/23/11/09/1065231109.db2.gz WWUJFPILZYAWIL-UHFFFAOYSA-N 1 0 474.675 2.855 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001292512965 1065231694 /nfs/dbraw/zinc/23/16/94/1065231694.db2.gz YSYKFDZLDJOIOG-FCHUYYIVSA-N 1 0 454.619 2.566 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001292513220 1065231930 /nfs/dbraw/zinc/23/19/30/1065231930.db2.gz AMGQVRKYUZVNKJ-PMACEKPBSA-N 1 0 483.661 2.857 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C(=O)N4CCCC4)CC3)n2CC[N@@H+](C)[C@H](C)CC)cc1 ZINC001292512998 1065232091 /nfs/dbraw/zinc/23/20/91/1065232091.db2.gz ZPHDUDZYYBEPDW-OAQYLSRUSA-N 1 0 495.672 2.509 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001292513758 1065234376 /nfs/dbraw/zinc/23/43/76/1065234376.db2.gz MPBWFLSJKIRGHU-RTWAWAEBSA-N 1 0 483.661 2.810 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2C[C@@H](CC)OC)cc1 ZINC001292513782 1065234580 /nfs/dbraw/zinc/23/45/80/1065234580.db2.gz NKEUQCILOCOIKB-FGZHOGPDSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@H]2CCCO2)cc1 ZINC001292514592 1065235982 /nfs/dbraw/zinc/23/59/82/1065235982.db2.gz UUSWOHLFYOULSR-JOCHJYFZSA-N 1 0 454.619 2.677 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@@](C)(O)CCOC)cc1 ZINC001292518314 1065242329 /nfs/dbraw/zinc/24/23/29/1065242329.db2.gz PNLVIEHEKNBXRI-VWLOTQADSA-N 1 0 457.619 2.596 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292520302 1065245054 /nfs/dbraw/zinc/24/50/54/1065245054.db2.gz FYFOHKBAGYUZSD-RUZDIDTESA-N 1 0 454.619 2.533 20 0 JFADRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001292521200 1065247346 /nfs/dbraw/zinc/24/73/46/1065247346.db2.gz DATZZWVYAVLTBJ-HNNXBMFYSA-N 1 0 459.182 2.766 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524088 1065248643 /nfs/dbraw/zinc/24/86/43/1065248643.db2.gz AMEHTSZTIATVDH-DENIHFKCSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CCC[NH+](C(C)C)C(C)C)cc1 ZINC001292526674 1065252953 /nfs/dbraw/zinc/25/29/53/1065252953.db2.gz ZADBLEDPGRWRCE-JOCHJYFZSA-N 1 0 456.635 2.968 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC001292528658 1065254695 /nfs/dbraw/zinc/25/46/95/1065254695.db2.gz SZVRJZOSGFZXPA-GBXCKJPGSA-N 1 0 468.646 2.971 20 0 JFADRO 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/nfs/dbraw/zinc/39/65/41/1065396541.db2.gz LQCNXKZETXVEJB-KCZVDYSFSA-N 1 0 459.635 2.534 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 ZINC001292660456 1065396604 /nfs/dbraw/zinc/39/66/04/1065396604.db2.gz LQCNXKZETXVEJB-RZUBCFFCSA-N 1 0 459.635 2.534 20 0 JFADRO CCC[NH+]1CCC(CNC(=O)c2cnc3ccc(I)cc3c2O)CC1 ZINC001292677881 1065416224 /nfs/dbraw/zinc/41/62/24/1065416224.db2.gz WFEZMXDIBFZXOO-UHFFFAOYSA-N 1 0 453.324 2.985 20 0 JFADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)s1 ZINC001292678509 1065417775 /nfs/dbraw/zinc/41/77/75/1065417775.db2.gz NPMUKFNBXPJDAT-HXOBKFHXSA-N 1 0 455.632 2.855 20 0 JFADRO CCc1nc(C)c(Cn2c(C3CCCC3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)o1 ZINC001292686247 1065428970 /nfs/dbraw/zinc/42/89/70/1065428970.db2.gz IHBHNOPICAOQOC-UHFFFAOYSA-N 1 0 457.623 2.833 20 0 JFADRO CCc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH+]3CCCCC3)CC2)cs1 ZINC001292694881 1065443507 /nfs/dbraw/zinc/44/35/07/1065443507.db2.gz 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2.815 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893425 1065594323 /nfs/dbraw/zinc/59/43/23/1065594323.db2.gz NVGYHGALKQHTGZ-FYYLOGMGSA-N 1 0 468.646 2.915 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893461 1065594675 /nfs/dbraw/zinc/59/46/75/1065594675.db2.gz ORWJHAUWWGLUMQ-IRLDBZIGSA-N 1 0 460.667 2.816 20 0 JFADRO CCc1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893540 1065594735 /nfs/dbraw/zinc/59/47/35/1065594735.db2.gz PDQQFXBGXFRFIK-PXNSSMCTSA-N 1 0 494.562 2.819 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCCCC1 ZINC001292893462 1065594810 /nfs/dbraw/zinc/59/48/10/1065594810.db2.gz ORWJHAUWWGLUMQ-RBBKRZOGSA-N 1 0 460.667 2.816 20 0 JFADRO CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292907487 1065598938 /nfs/dbraw/zinc/59/89/38/1065598938.db2.gz SQGFJBVPIZXAQB-ILWGZMRPSA-N 1 0 454.619 2.750 20 0 JFADRO CCc1nnc(N2CCC(C(=O)c3ccc(O)cc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292918274 1065605063 /nfs/dbraw/zinc/60/50/63/1065605063.db2.gz BXXVHRAROXGSPA-UHFFFAOYSA-N 1 0 454.619 2.671 20 0 JFADRO CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC001292921047 1065606524 /nfs/dbraw/zinc/60/65/24/1065606524.db2.gz UFVJGJFESXFGOL-FGZHOGPDSA-N 1 0 454.640 2.633 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCCCOC)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001292924793 1065617652 /nfs/dbraw/zinc/61/76/52/1065617652.db2.gz QILZBPAUCNPNNZ-UHFFFAOYSA-N 1 0 478.707 2.571 20 0 JFADRO CCc1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292932626 1065622599 /nfs/dbraw/zinc/62/25/99/1065622599.db2.gz WXSJATYMLIRJMU-SLFFLAALSA-N 1 0 491.681 2.523 20 0 JFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc4c([nH]c3=O)CCC[C@@H]4O)CC2)c1C ZINC001292933942 1065623958 /nfs/dbraw/zinc/62/39/58/1065623958.db2.gz QFDFLBVWHUJYMU-QFIPXVFZSA-N 1 0 454.571 2.914 20 0 JFADRO CN1CC[NH+](CC2CCN(C(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)CC1 ZINC001292939267 1065626273 /nfs/dbraw/zinc/62/62/73/1065626273.db2.gz NQZHCQSGPYCCBS-UHFFFAOYSA-N 1 0 456.612 2.587 20 0 JFADRO CCc1nnc(N2CCC(c3ccc(O)cc3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292943300 1065627632 /nfs/dbraw/zinc/62/76/32/1065627632.db2.gz MPGCNLSNPSHUTG-JOCHJYFZSA-N 1 0 454.619 2.873 20 0 JFADRO COC(=O)c1cc(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)n(-c2ccccc2)n1 ZINC001292942299 1065627736 /nfs/dbraw/zinc/62/77/36/1065627736.db2.gz PFGWLWVUEMXGGE-UHFFFAOYSA-N 1 0 452.511 2.538 20 0 JFADRO CCc1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292943496 1065628381 /nfs/dbraw/zinc/62/83/81/1065628381.db2.gz OELZNXWKQBSLEG-TZIWHRDSSA-N 1 0 454.619 2.786 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001292951824 1065632371 /nfs/dbraw/zinc/63/23/71/1065632371.db2.gz KAYZZSIVKAKVAS-QFIPXVFZSA-N 1 0 487.718 2.976 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)NC)CC2)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001292952289 1065632867 /nfs/dbraw/zinc/63/28/67/1065632867.db2.gz RZEJBMGKVQMFIP-UHFFFAOYSA-N 1 0 454.619 2.716 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001292953030 1065633942 /nfs/dbraw/zinc/63/39/42/1065633942.db2.gz ZBLANDBHECSANI-JOCHJYFZSA-N 1 0 473.710 2.876 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nn(-c3ccccc3F)cc2Br)CC1 ZINC001292957489 1065634573 /nfs/dbraw/zinc/63/45/73/1065634573.db2.gz APSHOBIVEULOOO-HNNXBMFYSA-N 1 0 452.372 2.777 20 0 JFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC001292958140 1065635279 /nfs/dbraw/zinc/63/52/79/1065635279.db2.gz TVRQEEOHSPUKSN-UHFFFAOYSA-N 1 0 458.628 2.943 20 0 JFADRO CCN1CC[NH+](C[C@H](C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001292957742 1065635360 /nfs/dbraw/zinc/63/53/60/1065635360.db2.gz DNWVWSXGUGDAJC-HXUWFJFHSA-N 1 0 458.647 2.912 20 0 JFADRO Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001292959282 1065637742 /nfs/dbraw/zinc/63/77/42/1065637742.db2.gz YBEMBEJEWWFTLT-UHFFFAOYSA-N 1 0 450.377 2.962 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001292960723 1065639393 /nfs/dbraw/zinc/63/93/93/1065639393.db2.gz HOTWJLZYTICSCB-FQEVSTJZSA-N 1 0 464.655 2.938 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001292960724 1065640546 /nfs/dbraw/zinc/64/05/46/1065640546.db2.gz HOTWJLZYTICSCB-HXUWFJFHSA-N 1 0 464.655 2.938 20 0 JFADRO CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001292961613 1065643611 /nfs/dbraw/zinc/64/36/11/1065643611.db2.gz GZMJXXRPEVQPDH-IBGZPJMESA-N 1 0 470.666 2.731 20 0 JFADRO CCc1nnc(N2CCC(CO)(Cc3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292962042 1065643637 /nfs/dbraw/zinc/64/36/37/1065643637.db2.gz LLDCMCADLKIHKV-UHFFFAOYSA-N 1 0 455.647 2.897 20 0 JFADRO CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001292971123 1065652433 /nfs/dbraw/zinc/65/24/33/1065652433.db2.gz QLIBHTOHFQGVOF-LJQANCHMSA-N 1 0 454.685 2.745 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001292971303 1065653217 /nfs/dbraw/zinc/65/32/17/1065653217.db2.gz USQQDLRYMKMIGW-UHFFFAOYSA-N 1 0 474.675 2.735 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292979044 1065660415 /nfs/dbraw/zinc/66/04/15/1065660415.db2.gz ZIWHGAVIFUTAJY-QFIPXVFZSA-N 1 0 472.609 2.735 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1ccc(OC)cc1OC ZINC001292979840 1065662024 /nfs/dbraw/zinc/66/20/24/1065662024.db2.gz YDYQDZZQLZIDKH-OAQYLSRUSA-N 1 0 456.635 2.705 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292980741 1065664587 /nfs/dbraw/zinc/66/45/87/1065664587.db2.gz YXNICFCRISVWQR-LEWJYISDSA-N 1 0 473.597 2.617 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001292981174 1065665947 /nfs/dbraw/zinc/66/59/47/1065665947.db2.gz CKHPWIPVQGRUBH-ZCNNSNEGSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292983451 1065666362 /nfs/dbraw/zinc/66/63/62/1065666362.db2.gz WKZQVHMBCNLXEO-JOCHJYFZSA-N 1 0 475.682 2.678 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001292984621 1065667905 /nfs/dbraw/zinc/66/79/05/1065667905.db2.gz GETLPPDMVVXLPD-OAQYLSRUSA-N 1 0 459.587 2.912 20 0 JFADRO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1 ZINC001292985110 1065668788 /nfs/dbraw/zinc/66/87/88/1065668788.db2.gz CKMBDEUNAZXNKV-UHFFFAOYSA-N 1 0 459.591 2.883 20 0 JFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986388 1065670942 /nfs/dbraw/zinc/67/09/42/1065670942.db2.gz KQGAEABUBJOYPE-CVDCTZTESA-N 1 0 453.587 2.721 20 0 JFADRO CCOc1c(Br)cc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)cc1OC ZINC001292987109 1065673195 /nfs/dbraw/zinc/67/31/95/1065673195.db2.gz SLJGJRJZDWKKCA-UHFFFAOYSA-N 1 0 457.365 2.861 20 0 JFADRO CCc1nnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001292995436 1065683691 /nfs/dbraw/zinc/68/36/91/1065683691.db2.gz UXLFKQITLQJXBB-UHFFFAOYSA-N 1 0 488.702 2.701 20 0 JFADRO CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293004836 1065689231 /nfs/dbraw/zinc/68/92/31/1065689231.db2.gz VOLWNDVPTRGSHT-NRFANRHFSA-N 1 0 454.619 2.663 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293026320 1065698391 /nfs/dbraw/zinc/69/83/91/1065698391.db2.gz AFYMRDYGIVCSEC-PZJWPPBQSA-N 1 0 462.664 2.560 20 0 JFADRO CCc1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001293033604 1065702421 /nfs/dbraw/zinc/70/24/21/1065702421.db2.gz IIGVFKJCFWORPD-QFIPXVFZSA-N 1 0 466.634 2.954 20 0 JFADRO CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001293035644 1065704492 /nfs/dbraw/zinc/70/44/92/1065704492.db2.gz AFBKIBFBGWHBMP-JXQFQVJHSA-N 1 0 456.639 2.749 20 0 JFADRO CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001293036987 1065706474 /nfs/dbraw/zinc/70/64/74/1065706474.db2.gz RRWAKPIVEFELIH-WOJBJXKFSA-N 1 0 480.704 2.989 20 0 JFADRO CN(CC1CC[NH+](C)CC1)C(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F ZINC001293063669 1065716804 /nfs/dbraw/zinc/71/68/04/1065716804.db2.gz ILSPVMMKQHMIDJ-OAHLLOKOSA-N 1 0 456.538 2.811 20 0 JFADRO C[N@H+](CCN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1)Cc1ccccc1 ZINC001293065968 1065717042 /nfs/dbraw/zinc/71/70/42/1065717042.db2.gz RXGWMLCWLOUYRY-UHFFFAOYSA-N 1 0 457.644 2.946 20 0 JFADRO CCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293067008 1065719011 /nfs/dbraw/zinc/71/90/11/1065719011.db2.gz YYTOFKBRSMSGSD-IAGOWNOFSA-N 1 0 462.668 2.605 20 0 JFADRO CCc1nnc(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001293068590 1065721105 /nfs/dbraw/zinc/72/11/05/1065721105.db2.gz JOEQTGIZCJRRQL-NRFANRHFSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001293070258 1065723801 /nfs/dbraw/zinc/72/38/01/1065723801.db2.gz GFWAWWPQRITSSJ-UHFFFAOYSA-N 1 0 478.523 2.671 20 0 JFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCCNC(=O)OC(C)(C)C ZINC001293075960 1065727527 /nfs/dbraw/zinc/72/75/27/1065727527.db2.gz AKGKTISIEGONOY-IBGZPJMESA-N 1 0 450.628 2.694 20 0 JFADRO CCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001293077666 1065727908 /nfs/dbraw/zinc/72/79/08/1065727908.db2.gz RSZHWKAVNHSENA-XMSQKQJNSA-N 1 0 467.536 2.839 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(I)cc(C)c2C)CC1 ZINC001293080932 1065729805 /nfs/dbraw/zinc/72/98/05/1065729805.db2.gz QKKPNRRMHIRWQJ-UHFFFAOYSA-N 1 0 457.356 2.534 20 0 JFADRO CCOc1ccc([C@@]2(C(=O)N3CCN(C(=O)C[NH+](CC)CC)CC3)CC2(Cl)Cl)cc1 ZINC001293082810 1065732942 /nfs/dbraw/zinc/73/29/42/1065732942.db2.gz XIHNXGHJHSSEFO-OAQYLSRUSA-N 1 0 456.414 2.913 20 0 JFADRO CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293083321 1065734011 /nfs/dbraw/zinc/73/40/11/1065734011.db2.gz NRMBJPKAUKQAQC-NHCUHLMSSA-N 1 0 498.672 2.628 20 0 JFADRO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293085169 1065735362 /nfs/dbraw/zinc/73/53/62/1065735362.db2.gz CRFBTXQSVYDEBP-HXUWFJFHSA-N 1 0 472.609 2.828 20 0 JFADRO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293091978 1065739717 /nfs/dbraw/zinc/73/97/17/1065739717.db2.gz ITXSYKDANIZPTC-RTBURBONSA-N 1 0 450.628 2.643 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)c3nc(C)no3)CC2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001293094291 1065743313 /nfs/dbraw/zinc/74/33/13/1065743313.db2.gz DGSQASGZQOBUGO-OAHLLOKOSA-N 1 0 458.533 2.689 20 0 JFADRO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001293110918 1065755946 /nfs/dbraw/zinc/75/59/46/1065755946.db2.gz HWKPDBKIVGHDDE-QGZVFWFLSA-N 1 0 481.476 2.895 20 0 JFADRO CCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCN1CCCCCC1=O ZINC001293112156 1065758226 /nfs/dbraw/zinc/75/82/26/1065758226.db2.gz CCNHAPDYVOSNNL-UHFFFAOYSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293112746 1065758279 /nfs/dbraw/zinc/75/82/79/1065758279.db2.gz ICPMNIOQZGXRES-UHFFFAOYSA-N 1 0 454.619 2.811 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293115476 1065761198 /nfs/dbraw/zinc/76/11/98/1065761198.db2.gz BQOUSQKFHKLSMN-SJBKTWHCSA-N 1 0 487.718 2.831 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293115956 1065762134 /nfs/dbraw/zinc/76/21/34/1065762134.db2.gz IHQBRHNNZNGNTA-DNVJHFABSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001293116489 1065763531 /nfs/dbraw/zinc/76/35/31/1065763531.db2.gz MKQFQMUMYLVMQT-ROUUACIJSA-N 1 0 450.628 2.785 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293121007 1065770664 /nfs/dbraw/zinc/77/06/64/1065770664.db2.gz VQXGVSZJGKGDIZ-WXFUMESZSA-N 1 0 487.737 2.979 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293121561 1065773316 /nfs/dbraw/zinc/77/33/16/1065773316.db2.gz RTBVVZZRXGVXAK-KOENEWCDSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001293123127 1065775817 /nfs/dbraw/zinc/77/58/17/1065775817.db2.gz FUBPMGQKHVHXDI-QFIPXVFZSA-N 1 0 454.619 2.535 20 0 JFADRO CCc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CCn1cc(Br)cn1 ZINC001293129975 1065781153 /nfs/dbraw/zinc/78/11/53/1065781153.db2.gz DFOMFKLKECVAMS-UHFFFAOYSA-N 1 0 494.360 2.591 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001293130521 1065781716 /nfs/dbraw/zinc/78/17/16/1065781716.db2.gz HVUFDGQTPUQYEI-AKFKNWHVSA-N 1 0 476.710 2.913 20 0 JFADRO CCc1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001293130854 1065782186 /nfs/dbraw/zinc/78/21/86/1065782186.db2.gz KMTVGGMVBXNREX-UHFFFAOYSA-N 1 0 452.628 2.869 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1cccc(OC)c1OC ZINC001293132019 1065784357 /nfs/dbraw/zinc/78/43/57/1065784357.db2.gz TZTSVBRBIAMODM-WOJBJXKFSA-N 1 0 456.635 2.901 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001293132690 1065785104 /nfs/dbraw/zinc/78/51/04/1065785104.db2.gz YNGSWHJNXUGVGO-VQTJNVASSA-N 1 0 454.610 2.897 20 0 JFADRO CCc1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1Cc1ccccc1CN1CCCC1=O ZINC001293135703 1065786302 /nfs/dbraw/zinc/78/63/02/1065786302.db2.gz GXAMRQSSUXJLHA-JOCHJYFZSA-N 1 0 454.619 2.558 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001293138860 1065789255 /nfs/dbraw/zinc/78/92/55/1065789255.db2.gz KNIKKKSTJHIUDO-FQEVSTJZSA-N 1 0 460.648 2.534 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001293139402 1065790144 /nfs/dbraw/zinc/79/01/44/1065790144.db2.gz RJGKOGLJGFGWRF-JOCHJYFZSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001293184099 1065806026 /nfs/dbraw/zinc/80/60/26/1065806026.db2.gz BSEPAUGMCUMMOG-JKSUJKDBSA-N 1 0 474.013 2.772 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001293184774 1065808280 /nfs/dbraw/zinc/80/82/80/1065808280.db2.gz KDKXPLJXAVALFD-WOJBJXKFSA-N 1 0 488.681 2.905 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185511 1065809954 /nfs/dbraw/zinc/80/99/54/1065809954.db2.gz SWMNSQDTVMCUAL-MOPGFXCFSA-N 1 0 452.607 2.936 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)n1 ZINC001293185517 1065810340 /nfs/dbraw/zinc/81/03/40/1065810340.db2.gz SWMNSQDTVMCUAL-RTBURBONSA-N 1 0 452.607 2.936 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)n1 ZINC001293186584 1065811969 /nfs/dbraw/zinc/81/19/69/1065811969.db2.gz WYULJQIOUJUFBU-UZLBHIALSA-N 1 0 456.570 2.857 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC001293203378 1065830954 /nfs/dbraw/zinc/83/09/54/1065830954.db2.gz FVKXUUSVKREJMH-UHFFFAOYSA-N 1 0 458.562 2.941 20 0 JFADRO Cc1noc(CSc2ccccc2C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC001293203274 1065831012 /nfs/dbraw/zinc/83/10/12/1065831012.db2.gz CPAMPAXXOSLLBS-UHFFFAOYSA-N 1 0 453.568 2.892 20 0 JFADRO Cc1cc(Br)c(N)c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC001293214249 1065847181 /nfs/dbraw/zinc/84/71/81/1065847181.db2.gz GLOZVRYPXLXQJU-KRWDZBQOSA-N 1 0 459.388 2.967 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001293214579 1065848081 /nfs/dbraw/zinc/84/80/81/1065848081.db2.gz ABMLLMORUNVGFE-UTKZUKDTSA-N 1 0 467.618 2.594 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C)o2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001293215332 1065851218 /nfs/dbraw/zinc/85/12/18/1065851218.db2.gz CZLGYVAHIWNSDQ-NRFANRHFSA-N 1 0 466.586 2.940 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1CCC[NH+]1CCCC1 ZINC001293216814 1065856459 /nfs/dbraw/zinc/85/64/59/1065856459.db2.gz KQRXAZJSMFRQJI-CQSZACIVSA-N 1 0 467.437 2.970 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)ccc2Br)n1CC[N@H+]1CC=CCC1 ZINC001293218068 1065861384 /nfs/dbraw/zinc/86/13/84/1065861384.db2.gz IIRRSXULBHXUEU-LJQANCHMSA-N 1 0 489.418 2.693 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293218776 1065863467 /nfs/dbraw/zinc/86/34/67/1065863467.db2.gz PQRMRKANQHQRNK-SBZFUYPRSA-N 1 0 490.693 2.790 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCSCC1 ZINC001293219710 1065867729 /nfs/dbraw/zinc/86/77/29/1065867729.db2.gz PGAAVFUBAZHBCQ-KRWDZBQOSA-N 1 0 497.438 2.610 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293220228 1065870503 /nfs/dbraw/zinc/87/05/03/1065870503.db2.gz SWNVYXPSTBXPPR-FQEVSTJZSA-N 1 0 499.685 2.689 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001293220974 1065873666 /nfs/dbraw/zinc/87/36/66/1065873666.db2.gz VYOYWCSWQZONLS-MSOLQXFVSA-N 1 0 461.408 2.907 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293238406 1065894063 /nfs/dbraw/zinc/89/40/63/1065894063.db2.gz FCUXZKCNJYNOJF-FPOVZHCZSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1CCC[NH+]1CCC(C)CC1 ZINC001293239416 1065895824 /nfs/dbraw/zinc/89/58/24/1065895824.db2.gz RNVJFVRYEDWOQK-OAQYLSRUSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293239832 1065896407 /nfs/dbraw/zinc/89/64/07/1065896407.db2.gz UGAPRNWGZNWNBY-VWPQPMDRSA-N 1 0 468.646 2.780 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293243143 1065905352 /nfs/dbraw/zinc/90/53/52/1065905352.db2.gz VHCWVLBSUDRSIK-REWPJTCUSA-N 1 0 468.646 2.909 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293243297 1065905814 /nfs/dbraw/zinc/90/58/14/1065905814.db2.gz QQGAMNTVQRMEGU-WOJBJXKFSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293244422 1065908641 /nfs/dbraw/zinc/90/86/41/1065908641.db2.gz DKUJVMJEFGSOEA-RTBURBONSA-N 1 0 484.626 2.945 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293244414 1065908716 /nfs/dbraw/zinc/90/87/16/1065908716.db2.gz DKUJVMJEFGSOEA-MOPGFXCFSA-N 1 0 484.626 2.945 20 0 JFADRO O=C(Cc1csc2ccc(Br)cc12)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001293280392 1065931822 /nfs/dbraw/zinc/93/18/22/1065931822.db2.gz DRNWWDIKEPGPMP-QGZVFWFLSA-N 1 0 452.418 2.729 20 0 JFADRO CC(C)c1ccc(-n2ccnc2SCC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc1 ZINC001293284858 1065933103 /nfs/dbraw/zinc/93/31/03/1065933103.db2.gz ZIWAAIQVFFJHDO-OAQYLSRUSA-N 1 0 457.644 2.611 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293292671 1065937488 /nfs/dbraw/zinc/93/74/88/1065937488.db2.gz KSUCAFXVSSIFJB-RBUKOAKNSA-N 1 0 455.607 2.786 20 0 JFADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c1 ZINC001293293753 1065937547 /nfs/dbraw/zinc/93/75/47/1065937547.db2.gz ACTBBUDMSLYVKM-UHFFFAOYSA-N 1 0 457.596 2.860 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293301260 1065941784 /nfs/dbraw/zinc/94/17/84/1065941784.db2.gz JNYVZFUHCZBNTR-TZIWHRDSSA-N 1 0 488.702 2.999 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@H+](C)C(C)C ZINC001293337542 1065954585 /nfs/dbraw/zinc/95/45/85/1065954585.db2.gz YRXGPIIQUGMSRL-UXHICEINSA-N 1 0 482.695 2.500 20 0 JFADRO C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001293339209 1065955589 /nfs/dbraw/zinc/95/55/89/1065955589.db2.gz JJPGRINKWDAKMA-IBGZPJMESA-N 1 0 459.612 2.831 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001293359141 1065963483 /nfs/dbraw/zinc/96/34/83/1065963483.db2.gz LNVKOLYTCINGRA-BJKOFHAPSA-N 1 0 497.688 2.536 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC001293359144 1065963775 /nfs/dbraw/zinc/96/37/75/1065963775.db2.gz LNVKOLYTCINGRA-ZEQRLZLVSA-N 1 0 497.688 2.536 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361477 1065965499 /nfs/dbraw/zinc/96/54/99/1065965499.db2.gz AIVGBUWAIKTMLP-WEMPKCCASA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC001293363788 1065967529 /nfs/dbraw/zinc/96/75/29/1065967529.db2.gz AFQWMNDJVDANCS-YMPZKCBVSA-N 1 0 483.661 2.972 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001293364300 1065968297 /nfs/dbraw/zinc/96/82/97/1065968297.db2.gz DPRIAHLNZMYMJZ-FQEVSTJZSA-N 1 0 454.623 2.741 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001293364270 1065968341 /nfs/dbraw/zinc/96/83/41/1065968341.db2.gz MZHFQYHQBDRERX-AEFFLSMTSA-N 1 0 492.466 2.978 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001293364645 1065969366 /nfs/dbraw/zinc/96/93/66/1065969366.db2.gz GQXNNRQMHXPTPT-OALUTQOASA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001293365209 1065970014 /nfs/dbraw/zinc/97/00/14/1065970014.db2.gz SBTZZQOHDZEKEQ-WOJBJXKFSA-N 1 0 461.010 2.814 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369485 1065973045 /nfs/dbraw/zinc/97/30/45/1065973045.db2.gz GWLHZTYVINKLQO-AABGKKOBSA-N 1 0 489.665 2.939 20 0 JFADRO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001293371024 1065973545 /nfs/dbraw/zinc/97/35/45/1065973545.db2.gz IPFQBKNPEXWTEH-QGZVFWFLSA-N 1 0 457.637 2.701 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372249 1065975408 /nfs/dbraw/zinc/97/54/08/1065975408.db2.gz JCFCGPHTONSTMW-NHCUHLMSSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293372247 1065975468 /nfs/dbraw/zinc/97/54/68/1065975468.db2.gz JCFCGPHTONSTMW-LEWJYISDSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001293372972 1065976523 /nfs/dbraw/zinc/97/65/23/1065976523.db2.gz LKXMFFIRIFFXFV-NRFANRHFSA-N 1 0 454.619 2.615 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001293373091 1065976957 /nfs/dbraw/zinc/97/69/57/1065976957.db2.gz PCUDFOZYOHKRLY-CTNGQTDRSA-N 1 0 473.666 2.898 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373470 1065977565 /nfs/dbraw/zinc/97/75/65/1065977565.db2.gz QXWYEECKSIRLRW-ZWKOTPCHSA-N 1 0 459.607 2.926 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001293373875 1065979302 /nfs/dbraw/zinc/97/93/02/1065979302.db2.gz SMSBBOBSOUTUOC-KSZLIROESA-N 1 0 471.572 2.567 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001293373877 1065979321 /nfs/dbraw/zinc/97/93/21/1065979321.db2.gz SMSBBOBSOUTUOC-KZNAEPCWSA-N 1 0 471.572 2.567 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001293373876 1065979345 /nfs/dbraw/zinc/97/93/45/1065979345.db2.gz SMSBBOBSOUTUOC-KURKYZTESA-N 1 0 471.572 2.567 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001293373972 1065979907 /nfs/dbraw/zinc/97/99/07/1065979907.db2.gz UEKPMKJENOWYBD-OAQYLSRUSA-N 1 0 494.731 2.961 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001293373930 1065979929 /nfs/dbraw/zinc/97/99/29/1065979929.db2.gz SLFXMHVZTZXGDM-YPAWHYETSA-N 1 0 485.629 2.502 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374261 1065980183 /nfs/dbraw/zinc/98/01/83/1065980183.db2.gz VLZSQFZDCRBDIC-PKTZIBPZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374650 1065980807 /nfs/dbraw/zinc/98/08/07/1065980807.db2.gz ZGFDCMPAWPAWMD-XZOQPEGZSA-N 1 0 453.635 2.833 20 0 JFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001293377383 1065981920 /nfs/dbraw/zinc/98/19/20/1065981920.db2.gz TZJWEOCSUWGYOT-YSIASYRMSA-N 1 0 451.612 2.581 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001293378785 1065982870 /nfs/dbraw/zinc/98/28/70/1065982870.db2.gz LUDRTQYDLIFUCY-LRSLUSHPSA-N 1 0 497.706 2.670 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C ZINC001293379419 1065983691 /nfs/dbraw/zinc/98/36/91/1065983691.db2.gz OXLXJEBWWPGLPU-OAQYLSRUSA-N 1 0 461.699 2.831 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293379844 1065984522 /nfs/dbraw/zinc/98/45/22/1065984522.db2.gz UYJMEPBUMAWCQP-RTBURBONSA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(C)=O)CC1 ZINC001293380524 1065985101 /nfs/dbraw/zinc/98/51/01/1065985101.db2.gz ZQZSOWPYXIAGCG-NRFANRHFSA-N 1 0 470.618 2.799 20 0 JFADRO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)cc1 ZINC001293383129 1065985391 /nfs/dbraw/zinc/98/53/91/1065985391.db2.gz NQSZTAMNLKAXCY-FQEVSTJZSA-N 1 0 455.603 2.815 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)CC1=O ZINC001293407936 1065997269 /nfs/dbraw/zinc/99/72/69/1065997269.db2.gz PVCMXVGHSHDGKB-IMFGXOCKSA-N 1 0 452.521 2.733 20 0 JFADRO CC[C@H]1CCCN1c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[N@H+](C)CCOC ZINC001293415801 1066000185 /nfs/dbraw/zinc/00/01/85/1066000185.db2.gz LDBFTELOGYBCTQ-SFHVURJKSA-N 1 0 463.652 2.504 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCCC(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1C ZINC001293419763 1066001849 /nfs/dbraw/zinc/00/18/49/1066001849.db2.gz IRCKVOJPKKWMRL-FQEVSTJZSA-N 1 0 451.633 2.512 20 0 JFADRO CC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293430138 1066003582 /nfs/dbraw/zinc/00/35/82/1066003582.db2.gz MLSYJUIWXXQTLG-NHCUHLMSSA-N 1 0 475.659 2.742 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001293456990 1066013371 /nfs/dbraw/zinc/01/33/71/1066013371.db2.gz ZZEJVOODJUPHAB-GUDVDZBRSA-N 1 0 464.636 2.945 20 0 JFADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293461294 1066015233 /nfs/dbraw/zinc/01/52/33/1066015233.db2.gz CZDUMNQXKNCZMP-WOJBJXKFSA-N 1 0 474.675 2.611 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001293464238 1066016869 /nfs/dbraw/zinc/01/68/69/1066016869.db2.gz QLONHBKPYNFVTR-MBSDFSHPSA-N 1 0 492.715 2.869 20 0 JFADRO CC[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+](C)CCOC)C1 ZINC001293482021 1066020310 /nfs/dbraw/zinc/02/03/10/1066020310.db2.gz BPWBCMGTNRMGFT-VQTJNVASSA-N 1 0 480.654 2.791 20 0 JFADRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CCCC1)c1ccccc1 ZINC001293488202 1066024331 /nfs/dbraw/zinc/02/43/31/1066024331.db2.gz NCJJHSPACQADLN-DYESRHJHSA-N 1 0 454.546 2.579 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC001293499734 1066026793 /nfs/dbraw/zinc/02/67/93/1066026793.db2.gz INBZUNIGWSIUKS-NQIIRXRSSA-N 1 0 453.649 2.796 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CSC)cc2)CC[N@@H+]1CCOC ZINC001293505227 1066028722 /nfs/dbraw/zinc/02/87/22/1066028722.db2.gz FTQVWVLJWGFKPM-JOCHJYFZSA-N 1 0 486.686 2.972 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2(C)C)CC[N@@H+]1CCOC ZINC001293506144 1066029701 /nfs/dbraw/zinc/02/97/01/1066029701.db2.gz BDKLMKBOERZXEQ-OALUTQOASA-N 1 0 464.680 2.593 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001293507251 1066031417 /nfs/dbraw/zinc/03/14/17/1066031417.db2.gz AGFWRDCWCNEDIA-DENIHFKCSA-N 1 0 493.612 2.574 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)CCS1 ZINC001293508846 1066033126 /nfs/dbraw/zinc/03/31/26/1066033126.db2.gz FTBMBZGQJSBAIJ-VQTJNVASSA-N 1 0 486.690 2.531 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCC2(F)F)CC[N@@H+]1CCOC ZINC001293510105 1066035083 /nfs/dbraw/zinc/03/50/83/1066035083.db2.gz PQFKTJZILWMKFQ-MOPGFXCFSA-N 1 0 468.593 2.887 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccc(C)c2)CC[N@@H+]1CCOC ZINC001293517501 1066040262 /nfs/dbraw/zinc/04/02/62/1066040262.db2.gz DMRHYVQDOXSAQA-NRFANRHFSA-N 1 0 456.635 2.861 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC[N@@H+]1CCOC ZINC001293518563 1066040904 /nfs/dbraw/zinc/04/09/04/1066040904.db2.gz HFLWOXXMIBFQLU-FQEVSTJZSA-N 1 0 452.607 2.752 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001293519851 1066041255 /nfs/dbraw/zinc/04/12/55/1066041255.db2.gz OCLKCJMMILJNRA-OAQYLSRUSA-N 1 0 474.625 2.621 20 0 JFADRO CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCn2c3ccccc3[nH]c2=O)CC[N@@H+]1CCOC ZINC001293519877 1066041363 /nfs/dbraw/zinc/04/13/63/1066041363.db2.gz OJXSIPOXKBPMKH-SFHVURJKSA-N 1 0 455.607 2.878 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001293524073 1066045152 /nfs/dbraw/zinc/04/51/52/1066045152.db2.gz KRVIPQRSEXHCOS-NRYAXDJKSA-N 1 0 493.649 2.972 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293524098 1066045270 /nfs/dbraw/zinc/04/52/70/1066045270.db2.gz KXZWMWLPFAHUQN-AQNXPRMDSA-N 1 0 477.581 2.520 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293524100 1066045379 /nfs/dbraw/zinc/04/53/79/1066045379.db2.gz KXZWMWLPFAHUQN-SLFFLAALSA-N 1 0 477.581 2.520 20 0 JFADRO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001293529882 1066049454 /nfs/dbraw/zinc/04/94/54/1066049454.db2.gz BPIAORRXQHYJIO-CPJSRVTESA-N 1 0 479.666 2.823 20 0 JFADRO CC[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)CC)CC[N@@H+]1CCOC ZINC001293530919 1066050540 /nfs/dbraw/zinc/05/05/40/1066050540.db2.gz IYNAUHYQFIHYCK-JOCHJYFZSA-N 1 0 468.646 2.773 20 0 JFADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001293534423 1066053069 /nfs/dbraw/zinc/05/30/69/1066053069.db2.gz WRZCZAOWPMIUIH-IBGZPJMESA-N 1 0 455.571 2.669 20 0 JFADRO O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001293534424 1066053277 /nfs/dbraw/zinc/05/32/77/1066053277.db2.gz WRZCZAOWPMIUIH-LJQANCHMSA-N 1 0 455.571 2.669 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCCO2)CC[N@@H+]1CCOC ZINC001293537179 1066054342 /nfs/dbraw/zinc/05/43/42/1066054342.db2.gz IBBQJDFBNKBEKF-QZTJIDSGSA-N 1 0 481.439 2.772 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001293537237 1066054403 /nfs/dbraw/zinc/05/44/03/1066054403.db2.gz IUIROEIEZKLFTG-ROUUACIJSA-N 1 0 481.439 2.888 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCc2n[nH]c(C)n2)CC[N@@H+]1CCOC ZINC001293537523 1066054649 /nfs/dbraw/zinc/05/46/49/1066054649.db2.gz NNLCPSAEDYOUEN-IBGZPJMESA-N 1 0 458.998 2.815 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001293538913 1066056518 /nfs/dbraw/zinc/05/65/18/1066056518.db2.gz GXQNREXKAJTAGP-CTNGQTDRSA-N 1 0 490.674 2.543 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC001293539696 1066058149 /nfs/dbraw/zinc/05/81/49/1066058149.db2.gz LFEFKDVGPJLYCR-TZIWHRDSSA-N 1 0 456.635 2.983 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H]2C)C[C@H](C)O1 ZINC001293540976 1066060316 /nfs/dbraw/zinc/06/03/16/1066060316.db2.gz RVBWWYQPWPBQRM-WSTZPKSXSA-N 1 0 461.632 2.837 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C)s2)CC[N@@H+]1CCOC ZINC001293552369 1066067429 /nfs/dbraw/zinc/06/74/29/1066067429.db2.gz BPRUDJYWWPMMGJ-MRXNPFEDSA-N 1 0 463.011 2.749 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC[N@H+](C)CCOC)CCO1 ZINC001293553401 1066068218 /nfs/dbraw/zinc/06/82/18/1066068218.db2.gz DTKLBAPUQHVKNS-KRWDZBQOSA-N 1 0 482.423 2.910 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(O)(CC)CC)CC[N@@H+]1CCOC ZINC001293559119 1066073211 /nfs/dbraw/zinc/07/32/11/1066073211.db2.gz UDEFTCLMWRRGBT-FQEVSTJZSA-N 1 0 473.618 2.814 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC2CC2)CC[N@@H+]1CCOC ZINC001293563874 1066076616 /nfs/dbraw/zinc/07/66/16/1066076616.db2.gz DFBQJDNOJIFBFK-GOSISDBHSA-N 1 0 461.010 2.672 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(NC(C)=O)c2)CC[N@@H+]1CCOC ZINC001293567672 1066080678 /nfs/dbraw/zinc/08/06/78/1066080678.db2.gz KGVKISQBODNEEN-QFIPXVFZSA-N 1 0 463.586 2.894 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccccn3)n2CC[C@H](OC)C(F)(F)F)CC[N@@H+]1CCOC ZINC001293568775 1066081472 /nfs/dbraw/zinc/08/14/72/1066081472.db2.gz SAUDGAPPVOSYOL-WMZOPIPTSA-N 1 0 456.513 2.855 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001293570591 1066082737 /nfs/dbraw/zinc/08/27/37/1066082737.db2.gz GZPGJDCNMYCNNT-SQJMNOBHSA-N 1 0 470.593 2.877 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC[N@@H+]1CCOC ZINC001293571070 1066083081 /nfs/dbraw/zinc/08/30/81/1066083081.db2.gz JPCWJSQUSKJRSD-IBGZPJMESA-N 1 0 473.528 2.932 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCOCC[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293571109 1066083154 /nfs/dbraw/zinc/08/31/54/1066083154.db2.gz KIWKMXDQGUSYCI-UXHICEINSA-N 1 0 489.665 2.991 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC001293574597 1066085518 /nfs/dbraw/zinc/08/55/18/1066085518.db2.gz GHLGKGSBMWFZOW-GOSISDBHSA-N 1 0 478.523 2.688 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)[NH+](C)C)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293574616 1066085771 /nfs/dbraw/zinc/08/57/71/1066085771.db2.gz GSGKLBJWNOMICQ-RCCFBDPRSA-N 1 0 458.611 2.815 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC[NH+](C)C)CCS1 ZINC001293575673 1066086100 /nfs/dbraw/zinc/08/61/00/1066086100.db2.gz OWKIHYAXDGHNJJ-HXUWFJFHSA-N 1 0 455.632 2.999 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)CC[N@@H+]1CCOC ZINC001293575611 1066086208 /nfs/dbraw/zinc/08/62/08/1066086208.db2.gz NTGZUSYXJASUKP-HYBUGGRVSA-N 1 0 486.020 2.843 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[NH+](C)C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293576358 1066086732 /nfs/dbraw/zinc/08/67/32/1066086732.db2.gz RXQSTCVFPABREM-SCTDSRPQSA-N 1 0 460.627 2.758 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CC[N@H+](C)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293577580 1066088078 /nfs/dbraw/zinc/08/80/78/1066088078.db2.gz FVDIXOMDLFSEFT-XMERXJNXSA-N 1 0 499.660 2.845 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC001293577785 1066088430 /nfs/dbraw/zinc/08/84/30/1066088430.db2.gz XZBDJECOQJDQOE-APWZRJJASA-N 1 0 454.579 2.691 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC001293579977 1066089873 /nfs/dbraw/zinc/08/98/73/1066089873.db2.gz SNOPFGRCRCPEHK-QFIPXVFZSA-N 1 0 477.613 2.537 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](CC(C)C)[NH+](C)C)CCO1 ZINC001293581890 1066091113 /nfs/dbraw/zinc/09/11/13/1066091113.db2.gz BGSSUBMUSHQGGU-RTBURBONSA-N 1 0 467.618 2.784 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC[N@@H+]1CCOC ZINC001293582050 1066091145 /nfs/dbraw/zinc/09/11/45/1066091145.db2.gz HPYABESLYJZTAR-MJGOQNOKSA-N 1 0 498.525 2.982 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC[N@@H+]1CCOC ZINC001293583200 1066092410 /nfs/dbraw/zinc/09/24/10/1066092410.db2.gz NFZCUYLPEGQLTQ-MOPGFXCFSA-N 1 0 492.571 2.734 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001293587292 1066095508 /nfs/dbraw/zinc/09/55/08/1066095508.db2.gz YCZPYQDPCPOCMW-SJORKVTESA-N 1 0 455.632 2.957 20 0 JFADRO CC[C@@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)c2cccc(C)c2)CC[N@@H+]1CCOC ZINC001293588496 1066097092 /nfs/dbraw/zinc/09/70/92/1066097092.db2.gz WYCNUDQAWOQEKD-JOCHJYFZSA-N 1 0 454.619 2.831 20 0 JFADRO CC[C@H]1CN(c2nnc(C3CCC3)n2CCNC(=O)c2cccc(C)c2)CC[N@@H+]1CCOC ZINC001293588497 1066097133 /nfs/dbraw/zinc/09/71/33/1066097133.db2.gz WYCNUDQAWOQEKD-QFIPXVFZSA-N 1 0 454.619 2.831 20 0 JFADRO CC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001293593977 1066100565 /nfs/dbraw/zinc/10/05/65/1066100565.db2.gz IXMLWBWSCGRDHN-DVECYGJZSA-N 1 0 494.706 2.791 20 0 JFADRO CC[C@@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001293596955 1066109100 /nfs/dbraw/zinc/10/91/00/1066109100.db2.gz WVIXVBUMZZOWQH-PKOBYXMFSA-N 1 0 450.628 2.958 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC001293599664 1066114108 /nfs/dbraw/zinc/11/41/08/1066114108.db2.gz NOGHQMDWQZFHJU-PLACYPQZSA-N 1 0 467.680 2.839 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC001293603344 1066120020 /nfs/dbraw/zinc/12/00/20/1066120020.db2.gz XKUBKLUIUJBUKL-NHCUHLMSSA-N 1 0 464.724 2.851 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCC[NH+]2CCC(O)CC2)C[C@H](C)O1 ZINC001293610280 1066125149 /nfs/dbraw/zinc/12/51/49/1066125149.db2.gz UEPYVCWOFPQKBC-HKUYNNGSSA-N 1 0 463.573 2.998 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293610479 1066125746 /nfs/dbraw/zinc/12/57/46/1066125746.db2.gz DCSGBTBPCXZFQV-FGZHOGPDSA-N 1 0 478.037 2.875 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1N1CCOCC1 ZINC001293612278 1066128087 /nfs/dbraw/zinc/12/80/87/1066128087.db2.gz LOGWSKSKJUTYRR-XJUOHMSHSA-N 1 0 455.651 2.541 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2nnc(C)s2)CC[N@@H+]1CCOC ZINC001293613767 1066131519 /nfs/dbraw/zinc/13/15/19/1066131519.db2.gz UWVVYMMFRZSAAA-HXUWFJFHSA-N 1 0 455.632 2.933 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001293616142 1066132024 /nfs/dbraw/zinc/13/20/24/1066132024.db2.gz CWFKCFGUUZFOBE-HXUWFJFHSA-N 1 0 455.632 2.933 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001293616858 1066133706 /nfs/dbraw/zinc/13/37/06/1066133706.db2.gz PDCQPKZXILNUNK-YKSBVNFPSA-N 1 0 470.643 2.780 20 0 JFADRO CN(CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)C(=O)c1ccc(Br)s1 ZINC001293619745 1066136429 /nfs/dbraw/zinc/13/64/29/1066136429.db2.gz FWGCZQMROKKGBP-UHFFFAOYSA-N 1 0 451.390 2.758 20 0 JFADRO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2C)CC[N@@H+]1CCOC ZINC001293629550 1066144065 /nfs/dbraw/zinc/14/40/65/1066144065.db2.gz LVMWVMSKPQIXPI-JOCHJYFZSA-N 1 0 472.609 2.638 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CC)C1)[NH+]1CCOCC1 ZINC001293632248 1066146129 /nfs/dbraw/zinc/14/61/29/1066146129.db2.gz SMSFTBOYNCBDCB-DHIUTWEWSA-N 1 0 473.666 2.892 20 0 JFADRO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293632889 1066147581 /nfs/dbraw/zinc/14/75/81/1066147581.db2.gz XMHHHQMYQTXYLV-NVQXNPDNSA-N 1 0 499.660 2.804 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(F)c2)CC[N@@H+]1CCOC ZINC001293653468 1066166103 /nfs/dbraw/zinc/16/61/03/1066166103.db2.gz OVVLBAAHKMBXPI-BVSLBCMMSA-N 1 0 461.582 2.737 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001293653800 1066166412 /nfs/dbraw/zinc/16/64/12/1066166412.db2.gz QQNBWWJVJDKYTL-IMSXRSKXSA-N 1 0 461.582 2.723 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)c(F)c2)CC[N@@H+]1CCOC ZINC001293658378 1066167504 /nfs/dbraw/zinc/16/75/04/1066167504.db2.gz HIGAZALIFPLLBV-IPJJNNNSSA-N 1 0 479.572 2.876 20 0 JFADRO C[C@@H]1C[C@@H](N(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC001293663577 1066168798 /nfs/dbraw/zinc/16/87/98/1066168798.db2.gz LXGRGVLZKFBBCY-OFNKIYASSA-N 1 0 451.567 2.881 20 0 JFADRO CC/C=C\Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001293668551 1066170850 /nfs/dbraw/zinc/17/08/50/1066170850.db2.gz YYOTVTDUDPDWEN-SREVYHEPSA-N 1 0 498.628 2.682 20 0 JFADRO Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC2)c(C)c1 ZINC001293688636 1066174575 /nfs/dbraw/zinc/17/45/75/1066174575.db2.gz GLBOOULRLAJVOC-UNMCSNQZSA-N 1 0 459.656 2.959 20 0 JFADRO CC/C=C\Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293694520 1066176082 /nfs/dbraw/zinc/17/60/82/1066176082.db2.gz KTRASHUSPSTSQZ-YFHOEESVSA-N 1 0 478.601 2.551 20 0 JFADRO CC/C=C/Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293694519 1066176130 /nfs/dbraw/zinc/17/61/30/1066176130.db2.gz KTRASHUSPSTSQZ-JXMROGBWSA-N 1 0 478.601 2.551 20 0 JFADRO CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC001293723389 1066183122 /nfs/dbraw/zinc/18/31/22/1066183122.db2.gz OHPCUJDDQSGVBP-HSZRJFAPSA-N 1 0 454.619 2.900 20 0 JFADRO CC/C=C\Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293726204 1066184593 /nfs/dbraw/zinc/18/45/93/1066184593.db2.gz PPYZIWZLOWRAGN-GOTJZHLVSA-N 1 0 460.667 2.891 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001293736661 1066198006 /nfs/dbraw/zinc/19/80/06/1066198006.db2.gz UNDYTDHXWCJAIK-FCHUYYIVSA-N 1 0 481.645 2.702 20 0 JFADRO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1C[N@H+](C)CCN1C ZINC001293744586 1066213469 /nfs/dbraw/zinc/21/34/69/1066213469.db2.gz JATZQIVPIRTXCE-MHECFPHRSA-N 1 0 450.583 2.666 20 0 JFADRO C[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@H]1C[N@H+](C)CCN1C ZINC001293745384 1066215077 /nfs/dbraw/zinc/21/50/77/1066215077.db2.gz PGHOOIDWYSTOOM-YMTOWFKASA-N 1 0 456.155 2.962 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001293747798 1066217623 /nfs/dbraw/zinc/21/76/23/1066217623.db2.gz CSYVPUVDJAAUAN-UYAOXDASSA-N 1 0 468.631 2.985 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001293748502 1066219313 /nfs/dbraw/zinc/21/93/13/1066219313.db2.gz KBXUILINLFNPFH-LJQANCHMSA-N 1 0 454.623 2.742 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@H+](C)C(C)C)C1 ZINC001293748950 1066220765 /nfs/dbraw/zinc/22/07/65/1066220765.db2.gz BQYNQTZZXDZXED-SFHVURJKSA-N 1 0 480.617 2.819 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCSCC2)C1 ZINC001293750222 1066223596 /nfs/dbraw/zinc/22/35/96/1066223596.db2.gz XSGRPCAKUJMHMI-IBGZPJMESA-N 1 0 457.648 2.582 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001293756492 1066236872 /nfs/dbraw/zinc/23/68/72/1066236872.db2.gz SAXGCOMRNAILJQ-MQSCRBSSSA-N 1 0 483.661 2.648 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001293761600 1066245558 /nfs/dbraw/zinc/24/55/58/1066245558.db2.gz IMUMJLJMNBHOLN-UHFFFAOYSA-N 1 0 473.666 2.664 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCCCC2)C1 ZINC001293764160 1066251379 /nfs/dbraw/zinc/25/13/79/1066251379.db2.gz YQBTXKGGGLQECC-NRFANRHFSA-N 1 0 456.639 2.511 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)[NH+](CC)CC)CC1 ZINC001293775820 1066268594 /nfs/dbraw/zinc/26/85/94/1066268594.db2.gz XOSFLZAZABAACA-QGZVFWFLSA-N 1 0 473.622 2.621 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001293787522 1066293200 /nfs/dbraw/zinc/29/32/00/1066293200.db2.gz COPUETIKIFWAJL-QHAWAJNXSA-N 1 0 473.666 2.626 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293795894 1066303738 /nfs/dbraw/zinc/30/37/38/1066303738.db2.gz WTRJWCFXMCAILV-NLFFAJNJSA-N 1 0 489.064 2.722 20 0 JFADRO CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001293796848 1066305782 /nfs/dbraw/zinc/30/57/82/1066305782.db2.gz JSLSGGKUDAGWFJ-CVDCTZTESA-N 1 0 484.711 2.532 20 0 JFADRO CCC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001293796849 1066305996 /nfs/dbraw/zinc/30/59/96/1066305996.db2.gz JSLSGGKUDAGWFJ-WMZHIEFXSA-N 1 0 484.711 2.532 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001293801816 1066312548 /nfs/dbraw/zinc/31/25/48/1066312548.db2.gz LWQQHMZGXAIVEN-KKSFZXQISA-N 1 0 481.439 2.745 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001293814645 1066322539 /nfs/dbraw/zinc/32/25/39/1066322539.db2.gz WEIWTQJXXXALMA-VWLOTQADSA-N 1 0 455.651 2.886 20 0 JFADRO CCC[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001293823163 1066331779 /nfs/dbraw/zinc/33/17/79/1066331779.db2.gz PGOTUNRJQKPPMB-VWLOTQADSA-N 1 0 470.666 2.781 20 0 JFADRO CCC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1Nc1ccn(C)n1 ZINC001293838741 1066343050 /nfs/dbraw/zinc/34/30/50/1066343050.db2.gz YBOWWMMAOAYILV-XMMPIXPASA-N 1 0 452.607 2.671 20 0 JFADRO CN(CCCC[NH+](C)C)C(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001293842180 1066344414 /nfs/dbraw/zinc/34/44/14/1066344414.db2.gz GGFKPAIOYDGGDB-IEBWSBKVSA-N 1 0 459.450 2.843 20 0 JFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001293842181 1066344454 /nfs/dbraw/zinc/34/44/54/1066344454.db2.gz GGFKPAIOYDGGDB-MJGOQNOKSA-N 1 0 459.450 2.843 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001293848189 1066350475 /nfs/dbraw/zinc/35/04/75/1066350475.db2.gz ONVDPJBNHPOMBX-WOJBJXKFSA-N 1 0 482.633 2.542 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3cccc(Br)c3N)CC2)CC1 ZINC001293859339 1066367472 /nfs/dbraw/zinc/36/74/72/1066367472.db2.gz DHXSYYGMGQQLIJ-UHFFFAOYSA-N 1 0 451.409 2.826 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293861741 1066370598 /nfs/dbraw/zinc/37/05/98/1066370598.db2.gz GOXNUKFIKGNGCR-VABKMULXSA-N 1 0 489.709 2.677 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001293890221 1066391900 /nfs/dbraw/zinc/39/19/00/1066391900.db2.gz XSFAEIDJYBOSDR-WOZUAGRISA-N 1 0 484.711 2.604 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001293896675 1066393388 /nfs/dbraw/zinc/39/33/88/1066393388.db2.gz SOVUGFIYYMEKRI-LJQANCHMSA-N 1 0 456.639 2.626 20 0 JFADRO C[C@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001293923647 1066403686 /nfs/dbraw/zinc/40/36/86/1066403686.db2.gz CTUKRSFHAAFPPR-ZDUSSCGKSA-N 1 0 450.402 2.844 20 0 JFADRO Cc1ccc(S(=O)(=O)N(CCC(=O)NCCC[NH+]2CCC(O)CC2)c2ccccc2)cc1 ZINC001293927581 1066407614 /nfs/dbraw/zinc/40/76/14/1066407614.db2.gz DJKNKFJUQYQZDA-UHFFFAOYSA-N 1 0 459.612 2.543 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001293939095 1066423389 /nfs/dbraw/zinc/42/33/89/1066423389.db2.gz UMBBZTIMXIVANN-ZVDOUQERSA-N 1 0 456.639 2.684 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001293947721 1066445898 /nfs/dbraw/zinc/44/58/98/1066445898.db2.gz SJUYHDPBFGWYEQ-FPOVZHCZSA-N 1 0 460.667 2.914 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293948317 1066447137 /nfs/dbraw/zinc/44/71/37/1066447137.db2.gz YHARVQFQCPWYMR-UTAZYMRLSA-N 1 0 486.636 2.596 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293949229 1066448290 /nfs/dbraw/zinc/44/82/90/1066448290.db2.gz ZIVUPRHERHCIQC-FKBYEOEOSA-N 1 0 490.693 2.539 20 0 JFADRO CCC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001293983190 1066488361 /nfs/dbraw/zinc/48/83/61/1066488361.db2.gz HPHUJBAXQURMMP-IRLDBZIGSA-N 1 0 454.619 2.926 20 0 JFADRO CCCc1nc(C)c(Cn2c(COCC)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC001294053808 1066525068 /nfs/dbraw/zinc/52/50/68/1066525068.db2.gz SFXMPSAXIJEEIH-FQEVSTJZSA-N 1 0 459.639 2.717 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(F)c2)CC[N@@H+]1CCOC ZINC001294054271 1066525483 /nfs/dbraw/zinc/52/54/83/1066525483.db2.gz FVFWLROUAKTHCF-FQEVSTJZSA-N 1 0 488.608 2.647 20 0 JFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]34C[C@@H]3C[C@@H](NC(=O)OC(C)(C)C)C4)cc2)CC1 ZINC001294064907 1066535456 /nfs/dbraw/zinc/53/54/56/1066535456.db2.gz SLBQFZGMQQGPPU-DMJCMNNJSA-N 1 0 458.603 2.945 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC[N@@H+]1CCOC ZINC001294068731 1066539284 /nfs/dbraw/zinc/53/92/84/1066539284.db2.gz XDWJHOKOPVUWDG-RTBURBONSA-N 1 0 490.052 2.845 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294073137 1066542459 /nfs/dbraw/zinc/54/24/59/1066542459.db2.gz KJQZMWDJXICIKI-LEWJYISDSA-N 1 0 474.625 2.742 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294073138 1066542627 /nfs/dbraw/zinc/54/26/27/1066542627.db2.gz KJQZMWDJXICIKI-NHCUHLMSSA-N 1 0 474.625 2.742 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H]2C(C)C)CC[N@@H+]1CCOC ZINC001294075505 1066544149 /nfs/dbraw/zinc/54/41/49/1066544149.db2.gz ADWOLNQBLPTJHJ-KCZVDYSFSA-N 1 0 457.623 2.733 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001294080190 1066548685 /nfs/dbraw/zinc/54/86/85/1066548685.db2.gz COKZGOSHHSHSRN-PKOBYXMFSA-N 1 0 458.573 2.977 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@@H+]1CCOC ZINC001294081046 1066549185 /nfs/dbraw/zinc/54/91/85/1066549185.db2.gz LTQIBLQGEKWWKG-RTWAWAEBSA-N 1 0 460.623 2.957 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@@H+]1CCOC ZINC001294082197 1066550737 /nfs/dbraw/zinc/55/07/37/1066550737.db2.gz QOZCWNCBYRFYCR-WOJBJXKFSA-N 1 0 467.680 2.631 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001294082373 1066551238 /nfs/dbraw/zinc/55/12/38/1066551238.db2.gz QVSKTYLEGRRZHF-BPYKYCOYSA-N 1 0 475.634 2.837 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC[N@@H+]1CCOC ZINC001294083051 1066552852 /nfs/dbraw/zinc/55/28/52/1066552852.db2.gz MKETYTMIHKCBHL-OTWHNJEPSA-N 1 0 468.593 2.992 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294084148 1066553665 /nfs/dbraw/zinc/55/36/65/1066553665.db2.gz ZACUMUHIYILXBP-FGZHOGPDSA-N 1 0 472.634 2.687 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001294085286 1066555048 /nfs/dbraw/zinc/55/50/48/1066555048.db2.gz DPTLDAPPESKFOB-XRXFAXGQSA-N 1 0 467.680 2.554 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@@H+]1CCOC ZINC001294086830 1066558250 /nfs/dbraw/zinc/55/82/50/1066558250.db2.gz YYNFMZIFZZSVBY-XLIONFOSSA-N 1 0 491.036 2.877 20 0 JFADRO CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC[N@@H+]1CCOC ZINC001294087838 1066560115 /nfs/dbraw/zinc/56/01/15/1066560115.db2.gz XYNBOVXTOJMORS-CPJSRVTESA-N 1 0 460.667 2.815 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC[N@@H+]1CCOC ZINC001294087879 1066560508 /nfs/dbraw/zinc/56/05/08/1066560508.db2.gz YIFFNINKBXEZQI-RZTXVSJASA-N 1 0 473.618 2.889 20 0 JFADRO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756712 524387828 /nfs/dbraw/zinc/38/78/28/524387828.db2.gz MWDQIXBSIKJNCK-HYBUGGRVSA-N 1 0 455.555 2.875 20 0 JFADRO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2)cc1 ZINC000009833700 562956966 /nfs/dbraw/zinc/95/69/66/562956966.db2.gz PXCSFYDKFROWTD-UHFFFAOYSA-N 1 0 494.617 2.985 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1C ZINC001164391075 718824437 /nfs/dbraw/zinc/82/44/37/718824437.db2.gz SMSAHWAMWKPART-IAGOWNOFSA-N 1 0 459.616 2.729 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4[NH2+]CCO[C@H]4C3)c2c1C ZINC001164391079 718824632 /nfs/dbraw/zinc/82/46/32/718824632.db2.gz SMSAHWAMWKPART-SJORKVTESA-N 1 0 459.616 2.729 20 0 JFADRO O=C1NCCN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)C12C[NH2+]C2 ZINC001164411207 718878795 /nfs/dbraw/zinc/87/87/95/718878795.db2.gz NZDVSCSNENTZJY-UHFFFAOYSA-N 1 0 454.625 2.684 20 0 JFADRO c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164414937 718885640 /nfs/dbraw/zinc/88/56/40/718885640.db2.gz AXHRMUZTWITSSJ-UHFFFAOYSA-N 1 0 464.643 2.856 20 0 JFADRO CN1CCN(Cc2cc3nc(N4CCCC[C@H]4C4CC[NH2+]CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417361 718892477 /nfs/dbraw/zinc/89/24/77/718892477.db2.gz JNTQXWOFZJNHPB-QHCPKHFHSA-N 1 0 499.729 2.634 20 0 JFADRO COc1cccc(-c2cc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)c(Cl)nn2)c1 ZINC001164425789 718919164 /nfs/dbraw/zinc/91/91/64/718919164.db2.gz VCAYKBNLGINHFF-FQEVSTJZSA-N 1 0 454.905 2.936 20 0 JFADRO FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001164425776 718919181 /nfs/dbraw/zinc/91/91/81/718919181.db2.gz UWDQLEXQAMDXQB-HXUWFJFHSA-N 1 0 470.904 2.719 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164433708 718968573 /nfs/dbraw/zinc/96/85/73/718968573.db2.gz MUQAXSNKBHAEGQ-KGLIPLIRSA-N 1 0 460.856 2.918 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164433715 718969031 /nfs/dbraw/zinc/96/90/31/718969031.db2.gz MYWPBGCUEXXIHO-DHIUTWEWSA-N 1 0 475.515 2.556 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164434643 718969062 /nfs/dbraw/zinc/96/90/62/718969062.db2.gz UOPYNLUWRLSZPH-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)C2 ZINC001164431825 718970163 /nfs/dbraw/zinc/97/01/63/718970163.db2.gz BVPRKLULRPJVFF-KGLIPLIRSA-N 1 0 463.234 2.936 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164432396 718970691 /nfs/dbraw/zinc/97/06/91/718970691.db2.gz HDZGJJRRSTUUCM-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164431675 718970984 /nfs/dbraw/zinc/97/09/84/718970984.db2.gz AITLTGAQBAQVFK-JKSUJKDBSA-N 1 0 454.827 2.685 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001164617788 719007764 /nfs/dbraw/zinc/00/77/64/719007764.db2.gz PSOXPUJYRPAETE-VLIAUNLRSA-N 1 0 457.953 2.890 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)C2 ZINC001164617377 719010427 /nfs/dbraw/zinc/01/04/27/719010427.db2.gz NSNJXLPKGMNWFV-HXPMCKFVSA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164617152 719011186 /nfs/dbraw/zinc/01/11/86/719011186.db2.gz MNZZLNUEHJJTGS-JLTOFOAXSA-N 1 0 457.953 2.890 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164620878 719011696 /nfs/dbraw/zinc/01/16/96/719011696.db2.gz ZSPKMEDYNTWZNK-UZLBHIALSA-N 1 0 491.988 2.833 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618268 719017611 /nfs/dbraw/zinc/01/76/11/719017611.db2.gz RSUQTNNATOUCPC-SZMVWBNQSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613957 719017721 /nfs/dbraw/zinc/01/77/21/719017721.db2.gz ARGVEQGFNCULOT-RYQLBKOJSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CCC[C@@H](C(=O)OCC)C4)nn3)CC2)CC1 ZINC001164617128 719032132 /nfs/dbraw/zinc/03/21/32/719032132.db2.gz HCZNCQLJTWZEIP-HXUWFJFHSA-N 1 0 473.618 2.500 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)c2c1C ZINC001164619573 719122973 /nfs/dbraw/zinc/12/29/73/719122973.db2.gz FJPXMADIOCLPEQ-JKSUJKDBSA-N 1 0 477.606 2.522 20 0 JFADRO C[N@@H+]1CCO[C@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164668227 719440053 /nfs/dbraw/zinc/44/00/53/719440053.db2.gz IVAZGFBACICQMV-UXHICEINSA-N 1 0 451.596 2.710 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2c1C ZINC001164671665 719444154 /nfs/dbraw/zinc/44/41/54/719444154.db2.gz QOEWDKRKLZNRDB-IRXDYDNUSA-N 1 0 459.616 2.682 20 0 JFADRO CN1CCc2nc(Cl)nc(N([C@@H]3CCC34CC[NH2+]CC4)S(=O)(=O)c3ccccc3)c2C1 ZINC001164687322 719592287 /nfs/dbraw/zinc/59/22/87/719592287.db2.gz SASDOZSMXOCNFD-LJQANCHMSA-N 1 0 462.019 2.845 20 0 JFADRO CC(C)N(C)Cc1nn(-c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001164682887 719630163 /nfs/dbraw/zinc/63/01/63/719630163.db2.gz PQLRBNWIMDKRDG-UHFFFAOYSA-N 1 0 487.652 2.711 20 0 JFADRO COC(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1OC ZINC001164685399 719659741 /nfs/dbraw/zinc/65/97/41/719659741.db2.gz ZYKGDIKXKJYAEX-IBGZPJMESA-N 1 0 480.609 2.970 20 0 JFADRO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164680203 719660678 /nfs/dbraw/zinc/66/06/78/719660678.db2.gz DDGBNQGQTVZMSE-GOSISDBHSA-N 1 0 490.608 2.790 20 0 JFADRO CCOC(=O)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164680960 719663760 /nfs/dbraw/zinc/66/37/60/719663760.db2.gz JZFMLQJWHCAAEM-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c(n3)OCC(=O)N4)CC2)c2ccccc21 ZINC001164681882 719667918 /nfs/dbraw/zinc/66/79/18/719667918.db2.gz OAPOLJVDZSEHTH-SFHVURJKSA-N 1 0 463.582 2.506 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc4c3NC(=O)CO4)CC2)c2ccccc21 ZINC001164680078 719670367 /nfs/dbraw/zinc/67/03/67/719670367.db2.gz BLFOYSTUCMKABG-SFHVURJKSA-N 1 0 463.582 2.506 20 0 JFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164680783 719671138 /nfs/dbraw/zinc/67/11/38/719671138.db2.gz HPTMZNYMTXGEAI-MSOLQXFVSA-N 1 0 462.598 2.626 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(-n4ccnc4)nn3)CC2)c2ccccc21 ZINC001164681471 719673540 /nfs/dbraw/zinc/67/35/40/719673540.db2.gz LGZCECTYGHAEDF-HXUWFJFHSA-N 1 0 459.598 2.756 20 0 JFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCOCC4)nc4c2CCN4)CC3)cs1 ZINC001164691995 719806837 /nfs/dbraw/zinc/80/68/37/719806837.db2.gz DVKHOILOJJZECM-UHFFFAOYSA-N 1 0 455.632 2.681 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C(=O)OC)nc3cnccc31)CC2 ZINC001164716980 720125446 /nfs/dbraw/zinc/12/54/46/720125446.db2.gz MTFQQXCCIYENFS-IBGZPJMESA-N 1 0 462.554 2.714 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(N3CCC(C(=O)OC)CC3)n1)CC2 ZINC001164713612 720129870 /nfs/dbraw/zinc/12/98/70/720129870.db2.gz SURSRHOSNUOVLX-QHCPKHFHSA-N 1 0 494.640 2.769 20 0 JFADRO 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Cn1nnc2c1CCN(c1nccnc1C1SCCCS1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717703 720174894 /nfs/dbraw/zinc/17/48/94/720174894.db2.gz LQHAJVXVRKVTPD-KRWDZBQOSA-N 1 0 461.661 2.690 20 0 JFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c1 ZINC001164719615 720185369 /nfs/dbraw/zinc/18/53/69/720185369.db2.gz WQLUQEUIJVPHLH-LJQANCHMSA-N 1 0 476.025 2.562 20 0 JFADRO CCOC(=O)c1cc2ccccc2nc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716013 720189419 /nfs/dbraw/zinc/18/94/19/720189419.db2.gz OFCKZGXMNYWBPG-QFIPXVFZSA-N 1 0 464.570 2.756 20 0 JFADRO Cn1nnc2c1CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713304 720195044 /nfs/dbraw/zinc/19/50/44/720195044.db2.gz ATJZUDNFIFYZIS-GOSISDBHSA-N 1 0 497.604 2.650 20 0 JFADRO Cn1nnc2c1CCN(c1nc3ccccc3nc1N1CCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714474 720195250 /nfs/dbraw/zinc/19/52/50/720195250.db2.gz FXFYDNBOGSYNTA-QFIPXVFZSA-N 1 0 462.602 2.575 20 0 JFADRO Cn1nnc2c1CCN(c1nccc(Oc3ccc(F)cc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714486 720199866 /nfs/dbraw/zinc/19/98/66/720199866.db2.gz FXVPLOKKFGTUQV-HXUWFJFHSA-N 1 0 453.522 2.753 20 0 JFADRO CC(C)c1noc(-c2ccnc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2)n1 ZINC001164715183 720200595 /nfs/dbraw/zinc/20/05/95/720200595.db2.gz JPSQOSMRQLHXEI-LJQANCHMSA-N 1 0 452.563 2.600 20 0 JFADRO CCOc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nn2)cc1 ZINC001164714515 720200694 /nfs/dbraw/zinc/20/06/94/720200694.db2.gz GCSUZAXETSTZBZ-HSZRJFAPSA-N 1 0 463.586 2.887 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)COC(=O)Nc1cccnc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164716024 720204166 /nfs/dbraw/zinc/20/41/66/720204166.db2.gz OQDPUEMOYBFQDT-KRWDZBQOSA-N 1 0 499.950 2.717 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(Cl)nnc(Cl)c1N1CCOCC1)C2 ZINC001164815251 720206472 /nfs/dbraw/zinc/20/64/72/720206472.db2.gz XXISVHJEMCBKOM-KKSFZXQISA-N 1 0 456.418 2.805 20 0 JFADRO CCOC(=O)c1cnc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1Cl ZINC001164814640 720210569 /nfs/dbraw/zinc/21/05/69/720210569.db2.gz VNFOLHGFQWZFLU-UHFFFAOYSA-N 1 0 484.935 2.659 20 0 JFADRO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814028 720222495 /nfs/dbraw/zinc/22/24/95/720222495.db2.gz RFWFLWSISUTYNU-UHFFFAOYSA-N 1 0 481.022 2.836 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CCC2 ZINC001164812823 720240315 /nfs/dbraw/zinc/24/03/15/720240315.db2.gz IVBAUQFLAVFYNB-FQEVSTJZSA-N 1 0 474.915 2.743 20 0 JFADRO COC(=O)c1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c2ccccc2c1OC ZINC001164814529 720241486 /nfs/dbraw/zinc/24/14/86/720241486.db2.gz XDVISWNJRZOLKC-UHFFFAOYSA-N 1 0 465.554 2.837 20 0 JFADRO COc1ccc(CN(C)c2ccnc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)n2)cc1 ZINC001164817779 720244327 /nfs/dbraw/zinc/24/43/27/720244327.db2.gz UMKMJAJYDKBMFV-UHFFFAOYSA-N 1 0 477.613 2.929 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc1 ZINC001164818214 720273897 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/nfs/dbraw/zinc/14/42/14/722144214.db2.gz IMASQOBNICPPHI-WPYKKVEZSA-N 1 0 473.643 2.671 20 0 JFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164976080 722144241 /nfs/dbraw/zinc/14/42/41/722144241.db2.gz GZEWJAAICWPOKU-UNMCSNQZSA-N 1 0 473.643 2.671 20 0 JFADRO COC(=O)c1nc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164972191 722155977 /nfs/dbraw/zinc/15/59/77/722155977.db2.gz GOHNBMQDOLLDPU-CABCVRRESA-N 1 0 452.342 2.692 20 0 JFADRO Clc1nnc(Cl)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCOCC1 ZINC001164973174 722159042 /nfs/dbraw/zinc/15/90/42/722159042.db2.gz LRJHFYDLCRUHRF-MSOLQXFVSA-N 1 0 479.412 2.742 20 0 JFADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)C3)c1 ZINC001164995887 722194907 /nfs/dbraw/zinc/19/49/07/722194907.db2.gz YYKLQKJJWMXHOA-SANMLTNESA-N 1 0 482.604 2.534 20 0 JFADRO O=C1C[C@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998339 722220063 /nfs/dbraw/zinc/22/00/63/722220063.db2.gz IPVPOWFCAUSSQC-VWLOTQADSA-N 1 0 450.539 2.918 20 0 JFADRO C[NH+]1CCN(c2ccc(N3CCC4(C=C(C(=O)NCC5CC5)c5ccccc54)CC3)nn2)CC1 ZINC001164998837 722220555 /nfs/dbraw/zinc/22/05/55/722220555.db2.gz MARQZMQMQBMFRS-UHFFFAOYSA-N 1 0 458.610 2.690 20 0 JFADRO CC(C)N(c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2)c1nc(Cl)nc2c1CN(C)CC2 ZINC001164996777 722220670 /nfs/dbraw/zinc/22/06/70/722220670.db2.gz AGQVMSXSSOTMQK-UHFFFAOYSA-N 1 0 484.048 2.887 20 0 JFADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]2C1 ZINC001165002373 722243163 /nfs/dbraw/zinc/24/31/63/722243163.db2.gz CGIQWYHCKWXGFN-BVAGGSTKSA-N 1 0 471.605 2.956 20 0 JFADRO CCOC(=O)c1cnc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165000070 722250693 /nfs/dbraw/zinc/25/06/93/722250693.db2.gz KOPZFSNNLFHMKR-UHFFFAOYSA-N 1 0 472.924 2.537 20 0 JFADRO COC(=O)c1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)cnc1Cl ZINC001164999580 722252127 /nfs/dbraw/zinc/25/21/27/722252127.db2.gz CSHKYPZDHHFOBX-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1CCN(Cc1ccccc1)C3)CCC2 ZINC001165000571 722252997 /nfs/dbraw/zinc/25/29/97/722252997.db2.gz SKWLLIBBGULNFM-UHFFFAOYSA-N 1 0 461.614 2.720 20 0 JFADRO CC[C@@H]1C(=O)Nc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N1C1CCCC1 ZINC001165001568 722253427 /nfs/dbraw/zinc/25/34/27/722253427.db2.gz BWEZCZRLLDKYEZ-OAQYLSRUSA-N 1 0 482.633 2.641 20 0 JFADRO COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165001640 722255200 /nfs/dbraw/zinc/25/52/00/722255200.db2.gz DTPGQRMBHYDVSL-PKNBQFBNSA-N 1 0 498.628 2.937 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)CC1 ZINC001264017656 1059505944 /nfs/dbraw/zinc/50/59/44/1059505944.db2.gz OIBFCTKITMTSMX-UHFFFAOYSA-N 1 0 453.562 2.522 20 0 JFADRO CC[NH+]1CCN(c2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)c(C)c2)CC1 ZINC001264048657 1059512573 /nfs/dbraw/zinc/51/25/73/1059512573.db2.gz YBIZKSHVNWSZBY-RUZDIDTESA-N 1 0 455.603 2.966 20 0 JFADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC001264330888 1059573769 /nfs/dbraw/zinc/57/37/69/1059573769.db2.gz XRWBJJIUWXUTTP-WDZFZDKYSA-N 1 0 453.539 2.902 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC001299742394 1059580360 /nfs/dbraw/zinc/58/03/60/1059580360.db2.gz DKGPJUOMLPVDEE-KKLQWCBXSA-N 1 0 478.663 2.505 20 0 JFADRO CN(c1ccc(NC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)cc1)C1CC[NH+](C)CC1 ZINC001264730223 1059659399 /nfs/dbraw/zinc/65/93/99/1059659399.db2.gz SXEPUOAELHWMBS-UHFFFAOYSA-N 1 0 457.579 2.586 20 0 JFADRO C[NH+]1CCN(c2ccccc2C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC001264874027 1059712125 /nfs/dbraw/zinc/71/21/25/1059712125.db2.gz KXOVNSXVECKQSR-UHFFFAOYSA-N 1 0 456.612 2.543 20 0 JFADRO COc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nc1I ZINC001264874336 1059712842 /nfs/dbraw/zinc/71/28/42/1059712842.db2.gz UPFUNJQZYJZYBL-CYBMUJFWSA-N 1 0 451.308 2.871 20 0 JFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)C1 ZINC001264894821 1059720370 /nfs/dbraw/zinc/72/03/70/1059720370.db2.gz YUISVFGOEHHAFD-OAHLLOKOSA-N 1 0 451.495 2.633 20 0 JFADRO C[NH+]1CCN(C[C@@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c2ccccc2)CC1 ZINC001264934574 1059731965 /nfs/dbraw/zinc/73/19/65/1059731965.db2.gz QHTYDRMJWNVPLB-GOSISDBHSA-N 1 0 459.616 2.886 20 0 JFADRO C[NH+]1CCN(C[C@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c2ccccc2)CC1 ZINC001264934575 1059732020 /nfs/dbraw/zinc/73/20/20/1059732020.db2.gz QHTYDRMJWNVPLB-SFHVURJKSA-N 1 0 459.616 2.886 20 0 JFADRO Cn1cc(N2C[C@H](C(=O)N(CC[NH+](C)C)Cc3ccc(C(F)(F)F)cc3)CCC2=O)cn1 ZINC001264985944 1059745357 /nfs/dbraw/zinc/74/53/57/1059745357.db2.gz UBLYPXSDKYGWOJ-QGZVFWFLSA-N 1 0 451.493 2.772 20 0 JFADRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC001265053751 1059757936 /nfs/dbraw/zinc/75/79/36/1059757936.db2.gz FVWGZHXEOGNGLS-FCHUYYIVSA-N 1 0 459.616 2.656 20 0 JFADRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(OC4CCOCC4)cc3)c2)C1 ZINC001265063754 1059759494 /nfs/dbraw/zinc/75/94/94/1059759494.db2.gz PANSVOWUDXDSFL-JOCHJYFZSA-N 1 0 451.567 2.872 20 0 JFADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)c3ccc(OC4CCOCC4)cc3)c2)C1 ZINC001265063755 1059759617 /nfs/dbraw/zinc/75/96/17/1059759617.db2.gz PANSVOWUDXDSFL-QFIPXVFZSA-N 1 0 451.567 2.872 20 0 JFADRO CCN1C(=O)C[C@H](C(=O)Oc2ccc(C(=O)NCC[NH+](CC)CC)cc2)[C@H]1c1cccnc1 ZINC001265113992 1059768478 /nfs/dbraw/zinc/76/84/78/1059768478.db2.gz JCHAOFMBTDGFJE-JTHBVZDNSA-N 1 0 452.555 2.668 20 0 JFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@@H](C)C1 ZINC001265127363 1059774654 /nfs/dbraw/zinc/77/46/54/1059774654.db2.gz ALTDLQIXKISFPN-PWSZPPJVSA-N 1 0 453.624 2.513 20 0 JFADRO CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC001265162078 1059785288 /nfs/dbraw/zinc/78/52/88/1059785288.db2.gz LSMJFSBRELHLDO-UHFFFAOYSA-N 1 0 451.571 2.932 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC001265248220 1059807567 /nfs/dbraw/zinc/80/75/67/1059807567.db2.gz VZENJNBIXVXUME-OAQYLSRUSA-N 1 0 450.518 2.884 20 0 JFADRO O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001265284180 1059816374 /nfs/dbraw/zinc/81/63/74/1059816374.db2.gz MOFCMYXBRJILHD-LJQANCHMSA-N 1 0 455.571 2.842 20 0 JFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC001265436011 1059859508 /nfs/dbraw/zinc/85/95/08/1059859508.db2.gz BDLLNEHNASTIGX-WMZHIEFXSA-N 1 0 456.543 2.516 20 0 JFADRO CO[C@@H]1C[C@H](C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001265653332 1059905250 /nfs/dbraw/zinc/90/52/50/1059905250.db2.gz WQYPGTKTMXSSJS-NHCUHLMSSA-N 1 0 455.559 2.823 20 0 JFADRO C[C@@H](CCNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)[N@H+](C)Cc1ccccc1 ZINC001265747342 1059920509 /nfs/dbraw/zinc/92/05/09/1059920509.db2.gz HRZACTRGRDCTFX-KRWDZBQOSA-N 1 0 451.614 2.743 20 0 JFADRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC001265809646 1059929075 /nfs/dbraw/zinc/92/90/75/1059929075.db2.gz CBZFVAGODZODFC-OAQYLSRUSA-N 1 0 451.633 2.824 20 0 JFADRO CC(C)[C@H]1CN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC[N@@H+]1Cc1ccccc1 ZINC001279366046 1059982786 /nfs/dbraw/zinc/98/27/86/1059982786.db2.gz ZJHJHFCRHHJFES-OAQYLSRUSA-N 1 0 456.591 2.785 20 0 JFADRO CC(C)[C@@H]1CN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC[N@@H+]1Cc1ccccc1 ZINC001279366045 1059983171 /nfs/dbraw/zinc/98/31/71/1059983171.db2.gz ZJHJHFCRHHJFES-NRFANRHFSA-N 1 0 456.591 2.785 20 0 JFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192485 1060001139 /nfs/dbraw/zinc/00/11/39/1060001139.db2.gz BABVGJBPKDDZFA-DLBZAZTESA-N 1 0 454.017 2.945 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286837023 1061091392 /nfs/dbraw/zinc/09/13/92/1061091392.db2.gz CHALWCABYCWLAO-WOJBJXKFSA-N 1 0 496.660 2.741 20 0 JFADRO 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2.912 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)[C@H](C)C1 ZINC001286887353 1061335861 /nfs/dbraw/zinc/33/58/61/1061335861.db2.gz BQGALYLYPGMGRH-LJQANCHMSA-N 1 0 458.582 2.929 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887469 1061336602 /nfs/dbraw/zinc/33/66/02/1061336602.db2.gz RNTWRFMIRYQLQG-YMPZKCBVSA-N 1 0 459.683 2.511 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286888301 1061340183 /nfs/dbraw/zinc/34/01/83/1061340183.db2.gz LZJREHVFDOEFCC-IBGZPJMESA-N 1 0 458.582 2.929 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286888302 1061340356 /nfs/dbraw/zinc/34/03/56/1061340356.db2.gz LZJREHVFDOEFCC-LJQANCHMSA-N 1 0 458.582 2.929 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3C[C@H](C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286888397 1061340542 /nfs/dbraw/zinc/34/05/42/1061340542.db2.gz YJIKUHSAZLYIIL-KGVIQGDOSA-N 1 0 474.053 2.537 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289737414 1061349528 /nfs/dbraw/zinc/34/95/28/1061349528.db2.gz FCJBDIRYUYWTTK-YLJYHZDGSA-N 1 0 467.618 2.581 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001289739097 1061352413 /nfs/dbraw/zinc/35/24/13/1061352413.db2.gz HFUCXQYOCOJTGV-XLIONFOSSA-N 1 0 467.618 2.546 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289740131 1061353632 /nfs/dbraw/zinc/35/36/32/1061353632.db2.gz LGJLFKUTYGRPSO-SFHVURJKSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289741469 1061356881 /nfs/dbraw/zinc/35/68/81/1061356881.db2.gz YNDQCQQVUPWYMY-RTWAWAEBSA-N 1 0 481.645 2.969 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289743996 1061361476 /nfs/dbraw/zinc/36/14/76/1061361476.db2.gz UQRKGUFJDRMLST-UHFFFAOYSA-N 1 0 463.577 2.875 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS(=O)(=O)CC3)n2CCCCC[NH+]2CCCC2)cc1C ZINC001289746789 1061364595 /nfs/dbraw/zinc/36/45/95/1061364595.db2.gz LONQCWXIHIEPKO-UHFFFAOYSA-N 1 0 488.658 2.648 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289748044 1061367606 /nfs/dbraw/zinc/36/76/06/1061367606.db2.gz WNCKLUBJIMUQCI-YZZKKUAISA-N 1 0 458.632 2.544 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CN4CCCC4=O)n3CC(C)(C)C[NH+](C)C)C2)nc1 ZINC001289748281 1061368554 /nfs/dbraw/zinc/36/85/54/1061368554.db2.gz PFLMLFPIGIODRS-HXUWFJFHSA-N 1 0 496.660 2.547 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001289748240 1061368632 /nfs/dbraw/zinc/36/86/32/1061368632.db2.gz YKSLFXBRABWPNA-BGYRXZFFSA-N 1 0 470.618 2.872 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748375 1061369226 /nfs/dbraw/zinc/36/92/26/1061369226.db2.gz QIVQICOTELEZIZ-PMACEKPBSA-N 1 0 482.633 2.518 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001289750679 1061372244 /nfs/dbraw/zinc/37/22/44/1061372244.db2.gz JUOZYAKBWBVUDB-LJQANCHMSA-N 1 0 476.585 2.793 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC001289753106 1061374847 /nfs/dbraw/zinc/37/48/47/1061374847.db2.gz JNVGLGLXZRZYJJ-CTNGQTDRSA-N 1 0 467.618 2.877 20 0 JFADRO Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)cc1 ZINC001289755733 1061378620 /nfs/dbraw/zinc/37/86/20/1061378620.db2.gz FYALTNZAVLNENE-NHCUHLMSSA-N 1 0 496.660 2.811 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286900767 1061392776 /nfs/dbraw/zinc/39/27/76/1061392776.db2.gz LBVJTVAIGJBQTN-ADCVTAOUSA-N 1 0 456.639 2.683 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001289773486 1061394534 /nfs/dbraw/zinc/39/45/34/1061394534.db2.gz OFYLPNKMPVNHNL-VAMGGRTRSA-N 1 0 472.634 2.753 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286903818 1061405824 /nfs/dbraw/zinc/40/58/24/1061405824.db2.gz NVLAFFILXPPNPY-UHFFFAOYSA-N 1 0 489.690 2.741 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001289782976 1061406646 /nfs/dbraw/zinc/40/66/46/1061406646.db2.gz PRRMNNATTDWTEJ-QHCPKHFHSA-N 1 0 467.618 2.892 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286905625 1061420434 /nfs/dbraw/zinc/42/04/34/1061420434.db2.gz UUHJAEPOQPVDCP-NRFANRHFSA-N 1 0 490.052 2.697 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@]2([NH+](C)C)CCSC2)cc1C ZINC001289791654 1061420546 /nfs/dbraw/zinc/42/05/46/1061420546.db2.gz PFJCHCVFUXXYIJ-YADARESESA-N 1 0 472.659 2.578 20 0 JFADRO Cc1ccc(OCc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792120 1061423434 /nfs/dbraw/zinc/42/34/34/1061423434.db2.gz KLWSHTCVUVGSHP-ROUUACIJSA-N 1 0 462.545 2.528 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001286906565 1061427730 /nfs/dbraw/zinc/42/77/30/1061427730.db2.gz DWQDHLWLENVBBX-PXDATVDWSA-N 1 0 476.666 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001289798647 1061431281 /nfs/dbraw/zinc/43/12/81/1061431281.db2.gz YHJLRNJRJUDRLK-KRWDZBQOSA-N 1 0 484.630 2.822 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC([C@H]4NC(=O)N(C)C4=O)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001289799363 1061433650 /nfs/dbraw/zinc/43/36/50/1061433650.db2.gz JBXMGMKVOKNNTK-HSZRJFAPSA-N 1 0 497.644 2.662 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286907006 1061434563 /nfs/dbraw/zinc/43/45/63/1061434563.db2.gz IDYJMMNCODEQFK-QUCCMNQESA-N 1 0 462.545 2.992 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001286907619 1061438694 /nfs/dbraw/zinc/43/86/94/1061438694.db2.gz CYDCEAGPWNYLLT-UNMCSNQZSA-N 1 0 451.550 2.887 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC001289805474 1061442763 /nfs/dbraw/zinc/44/27/63/1061442763.db2.gz MKHMTFMZGMORIS-IBGZPJMESA-N 1 0 490.674 2.508 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CC[NH+]2CCSCC2)C1 ZINC001286908302 1061443800 /nfs/dbraw/zinc/44/38/00/1061443800.db2.gz YSRQSIZAIYBJFP-HNNXBMFYSA-N 1 0 499.504 2.923 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286908939 1061448180 /nfs/dbraw/zinc/44/81/80/1061448180.db2.gz KVXDZYZLWUUOQY-KNQAVFIVSA-N 1 0 458.582 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289808602 1061451660 /nfs/dbraw/zinc/45/16/60/1061451660.db2.gz KADXOZGYXMZROL-HXUWFJFHSA-N 1 0 463.648 2.685 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001289812248 1061461828 /nfs/dbraw/zinc/46/18/28/1061461828.db2.gz OGUKGFJXGRLWLX-XMMPIXPASA-N 1 0 475.659 2.911 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289818113 1061473058 /nfs/dbraw/zinc/47/30/58/1061473058.db2.gz JGDIWROTZDATNP-TZIWHRDSSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@H](C)[NH+](C)C)C1 ZINC001286913777 1061477231 /nfs/dbraw/zinc/47/72/31/1061477231.db2.gz YVTKIOBQKAJYJT-YJBOKZPZSA-N 1 0 479.423 2.675 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286913774 1061477237 /nfs/dbraw/zinc/47/72/37/1061477237.db2.gz YVTKIOBQKAJYJT-CRAIPNDOSA-N 1 0 479.423 2.675 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CC=CCC2)C1 ZINC001286913742 1061477243 /nfs/dbraw/zinc/47/72/43/1061477243.db2.gz YCZBLNPUWNVVEX-RTWAWAEBSA-N 1 0 487.649 2.717 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1C ZINC001289819105 1061477935 /nfs/dbraw/zinc/47/79/35/1061477935.db2.gz PDLXOBRCAMYBRU-NRFANRHFSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001286914736 1061486359 /nfs/dbraw/zinc/48/63/59/1061486359.db2.gz LQKSPRSSCYDBPV-VIZSFHNOSA-N 1 0 470.618 2.872 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC001286915969 1061496488 /nfs/dbraw/zinc/49/64/88/1061496488.db2.gz WEHSRKHCNZGPDU-UHFFFAOYSA-N 1 0 468.646 2.686 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001286916104 1061497462 /nfs/dbraw/zinc/49/74/62/1061497462.db2.gz FQDZVGQDNIKQNS-AREMUKBSSA-N 1 0 484.645 2.534 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC2([NH+](C)C)CCCC2)cc1 ZINC001289825837 1061499826 /nfs/dbraw/zinc/49/98/26/1061499826.db2.gz LCNHAWZDVBTIMO-FQEVSTJZSA-N 1 0 490.674 2.510 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2(O)CCOCC2)cc1C ZINC001289826381 1061502171 /nfs/dbraw/zinc/50/21/71/1061502171.db2.gz WCALJRDBQIDNII-UHFFFAOYSA-N 1 0 457.619 2.793 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286918689 1061506735 /nfs/dbraw/zinc/50/67/35/1061506735.db2.gz AUCIQKHGEBNOLA-SFTDATJTSA-N 1 0 484.645 2.504 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001286918711 1061507251 /nfs/dbraw/zinc/50/72/51/1061507251.db2.gz BAFUIKGDRCANNS-UHFFFAOYSA-N 1 0 458.655 2.754 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286919025 1061507464 /nfs/dbraw/zinc/50/74/64/1061507464.db2.gz KULUDHMTWKIHSL-IBGZPJMESA-N 1 0 472.609 2.614 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286919602 1061510713 /nfs/dbraw/zinc/51/07/13/1061510713.db2.gz MMERBTBMACREII-QFIPXVFZSA-N 1 0 451.550 2.887 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC001289834221 1061510826 /nfs/dbraw/zinc/51/08/26/1061510826.db2.gz UMXZCNKMDFGWAN-IBGZPJMESA-N 1 0 475.659 2.831 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286922069 1061520320 /nfs/dbraw/zinc/52/03/20/1061520320.db2.gz PZJCOIKKGPXKIB-YADHBBJMSA-N 1 0 496.660 2.646 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001286922078 1061520359 /nfs/dbraw/zinc/52/03/59/1061520359.db2.gz QCRDXXTXXFHNTD-NRFANRHFSA-N 1 0 456.635 2.917 20 0 JFADRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@H]2C1 ZINC001289852185 1061524376 /nfs/dbraw/zinc/52/43/76/1061524376.db2.gz XMNHEYZXYACMHL-WCFLWFBJSA-N 1 0 453.362 2.750 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286923607 1061526855 /nfs/dbraw/zinc/52/68/55/1061526855.db2.gz OCCDHRQJHWROFL-QHCPKHFHSA-N 1 0 491.640 2.990 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001286924288 1061529515 /nfs/dbraw/zinc/52/95/15/1061529515.db2.gz GEUVAFPYHDZOOF-IBGZPJMESA-N 1 0 475.037 2.798 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc([C@@H]3CCCCO3)n2CC[NH+]2CCCCC2)cc1 ZINC001289856601 1061536532 /nfs/dbraw/zinc/53/65/32/1061536532.db2.gz VEYKEUOIAXSZNB-QFIPXVFZSA-N 1 0 490.674 2.729 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001286926783 1061541570 /nfs/dbraw/zinc/54/15/70/1061541570.db2.gz HACBISVCHSFOIT-LGVFNWMJSA-N 1 0 467.662 2.984 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286927092 1061543486 /nfs/dbraw/zinc/54/34/86/1061543486.db2.gz QTUSEQCHBWGUQH-OALUTQOASA-N 1 0 475.682 2.525 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCOCC[NH+](C)C)cc1 ZINC001289862039 1061544074 /nfs/dbraw/zinc/54/40/74/1061544074.db2.gz BCOFFNNUFMRYMJ-SFTDATJTSA-N 1 0 472.659 2.704 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001289867781 1061549374 /nfs/dbraw/zinc/54/93/74/1061549374.db2.gz MAMUGRQPVRWYJI-XMMPIXPASA-N 1 0 486.686 2.816 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001286930658 1061555902 /nfs/dbraw/zinc/55/59/02/1061555902.db2.gz RWIVNYBELDTTIW-NFBKMPQASA-N 1 0 453.635 2.738 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3noc4c3COCC4)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001286933590 1061565982 /nfs/dbraw/zinc/56/59/82/1061565982.db2.gz LSSASCMXSPYSAV-UHFFFAOYSA-N 1 0 487.649 2.867 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001286933693 1061566446 /nfs/dbraw/zinc/56/64/46/1061566446.db2.gz AUIGDWQOUQFHIV-NRFANRHFSA-N 1 0 451.575 2.512 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccccc3F)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001286935367 1061574327 /nfs/dbraw/zinc/57/43/27/1061574327.db2.gz QHZGCMKJDFVTNQ-UHFFFAOYSA-N 1 0 499.679 2.634 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294097186 1061575898 /nfs/dbraw/zinc/57/58/98/1061575898.db2.gz YHOILGXHYSUFMV-REWPJTCUSA-N 1 0 463.648 2.673 20 0 JFADRO Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001289891006 1061577207 /nfs/dbraw/zinc/57/72/07/1061577207.db2.gz ZXONLMWARBQXNZ-NRFANRHFSA-N 1 0 454.619 2.877 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cc(C(C)(C)C)no2)CC[N@@H+]1CCOC ZINC001294098227 1061578072 /nfs/dbraw/zinc/57/80/72/1061578072.db2.gz UOJPSRINOUTLPI-LJQANCHMSA-N 1 0 487.649 2.671 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)[N@H+](C)C2CC2)CCO1 ZINC001286940340 1061582723 /nfs/dbraw/zinc/58/27/23/1061582723.db2.gz BREUZKOCVDMOSD-KSSFIOAISA-N 1 0 464.973 2.562 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001294103388 1061583472 /nfs/dbraw/zinc/58/34/72/1061583472.db2.gz JMVOPQHUGCTGCL-IPMKNSEASA-N 1 0 455.694 2.915 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001286940576 1061583577 /nfs/dbraw/zinc/58/35/77/1061583577.db2.gz CEBJVBNHQGEWDE-QHCPKHFHSA-N 1 0 454.619 2.799 20 0 JFADRO Cc1cccc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001289897846 1061584129 /nfs/dbraw/zinc/58/41/29/1061584129.db2.gz KZZULGNOUNFDDZ-LJQANCHMSA-N 1 0 462.664 2.715 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC001286940608 1061584159 /nfs/dbraw/zinc/58/41/59/1061584159.db2.gz FIDLZXFBOCZBGH-LAUBAEHRSA-N 1 0 461.010 2.672 20 0 JFADRO Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001289901110 1061586713 /nfs/dbraw/zinc/58/67/13/1061586713.db2.gz CAOOTPVXCKSDFF-HSZRJFAPSA-N 1 0 497.688 2.717 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001286941413 1061589623 /nfs/dbraw/zinc/58/96/23/1061589623.db2.gz MLVJTGLABSWYHV-NRFANRHFSA-N 1 0 461.010 2.816 20 0 JFADRO Cc1cccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CC(C)(C)C[NH+]2CCCC2)n1 ZINC001289909008 1061597440 /nfs/dbraw/zinc/59/74/40/1061597440.db2.gz GCGGHUWJRARQGA-UHFFFAOYSA-N 1 0 489.690 2.631 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+]2CC=CCC2)CCO1 ZINC001286943258 1061599873 /nfs/dbraw/zinc/59/98/73/1061599873.db2.gz ZOKZXHVZQCEGMS-HSZRJFAPSA-N 1 0 466.630 2.846 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286943534 1061603276 /nfs/dbraw/zinc/60/32/76/1061603276.db2.gz BESUUIBZEDBFHK-PKTZIBPZSA-N 1 0 496.612 2.711 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001286943970 1061607196 /nfs/dbraw/zinc/60/71/96/1061607196.db2.gz DCVSNISCDJSLKN-XUZZJYLKSA-N 1 0 468.646 2.783 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2CCCC[C@H]2C)CCO1 ZINC001286944481 1061613799 /nfs/dbraw/zinc/61/37/99/1061613799.db2.gz AQWOKNIKBPWQAX-XXBNENTESA-N 1 0 488.608 2.602 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001289923155 1061615295 /nfs/dbraw/zinc/61/52/95/1061615295.db2.gz KHIFCOWBLJMQJU-GOSISDBHSA-N 1 0 473.025 2.909 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001286944755 1061615951 /nfs/dbraw/zinc/61/59/51/1061615951.db2.gz GASRXMDXMAZMHD-HSZRJFAPSA-N 1 0 456.635 2.637 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCCOc3ccc(F)cc3)n2C[C@]2(O)CC[N@H+](C)C2)n1 ZINC001289928646 1061618599 /nfs/dbraw/zinc/61/85/99/1061618599.db2.gz JHMHTXGLYDASOV-DEOSSOPVSA-N 1 0 454.550 2.760 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCCC2)CCO1 ZINC001286945001 1061619272 /nfs/dbraw/zinc/61/92/72/1061619272.db2.gz CYROXDZBJHUCSM-XMSQKQJNSA-N 1 0 491.036 2.584 20 0 JFADRO CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001294137342 1061621952 /nfs/dbraw/zinc/62/19/52/1061621952.db2.gz LYQHQDSKDSIXLC-RBBKRZOGSA-N 1 0 490.674 2.512 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCCOCc3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC001289932098 1061624404 /nfs/dbraw/zinc/62/44/04/1061624404.db2.gz PRQJPRYHQNMKSS-RUZDIDTESA-N 1 0 450.587 2.758 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286945951 1061628888 /nfs/dbraw/zinc/62/88/88/1061628888.db2.gz NTHVUOUCNOLQNX-YKSBVNFPSA-N 1 0 468.646 2.873 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286945949 1061629025 /nfs/dbraw/zinc/62/90/25/1061629025.db2.gz NTHVUOUCNOLQNX-RDPSFJRHSA-N 1 0 468.646 2.873 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001294141002 1061629254 /nfs/dbraw/zinc/62/92/54/1061629254.db2.gz YXWHPAMEBFJDFL-FDDCHVKYSA-N 1 0 457.596 2.584 20 0 JFADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294148586 1061634440 /nfs/dbraw/zinc/63/44/40/1061634440.db2.gz XKOILRQJOYFFCC-HXUWFJFHSA-N 1 0 452.640 2.767 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001286946466 1061635119 /nfs/dbraw/zinc/63/51/19/1061635119.db2.gz PPDOFVJSYHERBA-DHLKQENFSA-N 1 0 482.673 2.915 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC2(S(C)(=O)=O)CC2)n1 ZINC001289950693 1061644934 /nfs/dbraw/zinc/64/49/34/1061644934.db2.gz JARCQSFBBRPLJJ-UHFFFAOYSA-N 1 0 460.648 2.782 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948070 1061652948 /nfs/dbraw/zinc/65/29/48/1061652948.db2.gz OSIJJQBJDVOJGE-CVDCTZTESA-N 1 0 490.599 2.609 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(O)(C(F)(F)F)CC3)n2CC[NH+]2CCSCC2)n1 ZINC001289958965 1061659633 /nfs/dbraw/zinc/65/96/33/1061659633.db2.gz DYABVSXBQNSPFE-UHFFFAOYSA-N 1 0 456.538 2.591 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948488 1061659626 /nfs/dbraw/zinc/65/96/26/1061659626.db2.gz XWOWULGVDUIKCC-HSZRJFAPSA-N 1 0 484.645 2.629 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)NC4CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001289960617 1061666565 /nfs/dbraw/zinc/66/65/65/1061666565.db2.gz WFFPMBGRTULZRL-FQEVSTJZSA-N 1 0 454.623 2.808 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001289962306 1061669560 /nfs/dbraw/zinc/66/95/60/1061669560.db2.gz WHIDDGSBSZJHNK-LTMIRXACSA-N 1 0 460.648 2.782 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001294172857 1061676339 /nfs/dbraw/zinc/67/63/39/1061676339.db2.gz FEDDBSIWCXVDBW-LEWJYISDSA-N 1 0 473.666 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)n1 ZINC001289972291 1061681012 /nfs/dbraw/zinc/68/10/12/1061681012.db2.gz JSEIBXNRROLQSF-QUCCMNQESA-N 1 0 460.648 2.784 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H]([NH+]4CCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001289972569 1061682016 /nfs/dbraw/zinc/68/20/16/1061682016.db2.gz GFMPDLFIELLBMJ-LJQANCHMSA-N 1 0 460.648 2.926 20 0 JFADRO CC(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001286954022 1061702548 /nfs/dbraw/zinc/70/25/48/1061702548.db2.gz FVWPXDMXAVGKNB-XMMPIXPASA-N 1 0 499.729 2.747 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001289982469 1061704713 /nfs/dbraw/zinc/70/47/13/1061704713.db2.gz CWMDZGMVUXUXAE-JOCHJYFZSA-N 1 0 482.677 2.560 20 0 JFADRO CCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001294196670 1061704765 /nfs/dbraw/zinc/70/47/65/1061704765.db2.gz PFSZEPPLUYHJHM-TZIWHRDSSA-N 1 0 494.662 2.668 20 0 JFADRO C[C@@H]1C[C@@H](NC(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC001294201220 1061707038 /nfs/dbraw/zinc/70/70/38/1061707038.db2.gz IBFBNHZVFKSTMY-CBQOVEMMSA-N 1 0 455.603 2.966 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001289983868 1061707049 /nfs/dbraw/zinc/70/70/49/1061707049.db2.gz UVHFUZYZMDVSBN-UHFFFAOYSA-N 1 0 496.704 2.902 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289984023 1061707431 /nfs/dbraw/zinc/70/74/31/1061707431.db2.gz XJDJBDPVXWGWGO-HSZRJFAPSA-N 1 0 496.704 2.759 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)n2CCOCC(F)(F)C(F)F)n1 ZINC001289985162 1061709169 /nfs/dbraw/zinc/70/91/69/1061709169.db2.gz HEIVVZQSSSZERP-KRWDZBQOSA-N 1 0 486.514 2.724 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2OC)CC1 ZINC001294209027 1061712016 /nfs/dbraw/zinc/71/20/16/1061712016.db2.gz MQGIIRIBCUHCQZ-BHDDXSALSA-N 1 0 481.707 2.944 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294209648 1061712444 /nfs/dbraw/zinc/71/24/44/1061712444.db2.gz XRZNJVMLBGMCHZ-JGCGQSQUSA-N 1 0 459.664 2.985 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001294210550 1061714870 /nfs/dbraw/zinc/71/48/70/1061714870.db2.gz LWVGQMIHNNYISX-CJFMBICVSA-N 1 0 460.667 2.900 20 0 JFADRO Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001289990810 1061715524 /nfs/dbraw/zinc/71/55/24/1061715524.db2.gz UYZDNYNEDRSKTC-UHFFFAOYSA-N 1 0 459.388 2.873 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001294211109 1061715647 /nfs/dbraw/zinc/71/56/47/1061715647.db2.gz RAMKCJYXKWDJIN-UHFFFAOYSA-N 1 0 465.643 2.642 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)C)CC1 ZINC001294211077 1061715909 /nfs/dbraw/zinc/71/59/09/1061715909.db2.gz QHTDHBCBWSNFJB-UHFFFAOYSA-N 1 0 466.634 2.553 20 0 JFADRO Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001289992663 1061717993 /nfs/dbraw/zinc/71/79/93/1061717993.db2.gz RCSMSAVTCPCXRR-HXUWFJFHSA-N 1 0 468.627 2.794 20 0 JFADRO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)C2)c1 ZINC001290001214 1061724804 /nfs/dbraw/zinc/72/48/04/1061724804.db2.gz KCPRISNLPYEFHV-QFIPXVFZSA-N 1 0 468.646 2.954 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294216887 1061725572 /nfs/dbraw/zinc/72/55/72/1061725572.db2.gz KAMDTMBEDMJYTA-UHFFFAOYSA-N 1 0 474.631 2.895 20 0 JFADRO Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+](C)C)CC2)c1 ZINC001290002722 1061728378 /nfs/dbraw/zinc/72/83/78/1061728378.db2.gz VSEDHJBAEMIYHV-UHFFFAOYSA-N 1 0 470.662 2.887 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294218872 1061729513 /nfs/dbraw/zinc/72/95/13/1061729513.db2.gz GBOOAPPPKOEVAO-GOSISDBHSA-N 1 0 460.627 2.762 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001294219981 1061730890 /nfs/dbraw/zinc/73/08/90/1061730890.db2.gz KISXFQTZSQHGNS-UHFFFAOYSA-N 1 0 470.597 2.885 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001294224587 1061735064 /nfs/dbraw/zinc/73/50/64/1061735064.db2.gz VFADCEJYHXOUBO-JOCHJYFZSA-N 1 0 482.677 2.513 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294225551 1061736620 /nfs/dbraw/zinc/73/66/20/1061736620.db2.gz FHCSGNCVSQVXRR-YADHBBJMSA-N 1 0 459.660 2.981 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1 ZINC001294225717 1061737156 /nfs/dbraw/zinc/73/71/56/1061737156.db2.gz GTDUORCNFJKLSL-OALUTQOASA-N 1 0 466.627 2.544 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294226160 1061738640 /nfs/dbraw/zinc/73/86/40/1061738640.db2.gz PHXCGXACNOQUSY-LJQANCHMSA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001294227153 1061741662 /nfs/dbraw/zinc/74/16/62/1061741662.db2.gz BUHVKHMDJATAHS-UHFFFAOYSA-N 1 0 474.675 2.934 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294227787 1061742375 /nfs/dbraw/zinc/74/23/75/1061742375.db2.gz GYJYEGIKQISPEJ-UHFFFAOYSA-N 1 0 466.634 2.696 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001294228346 1061743175 /nfs/dbraw/zinc/74/31/75/1061743175.db2.gz OTNCMCXIVHGZFE-UHFFFAOYSA-N 1 0 482.658 2.723 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294228582 1061744064 /nfs/dbraw/zinc/74/40/64/1061744064.db2.gz QDAIEOSYOXQXTB-VWLOTQADSA-N 1 0 485.608 2.554 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294230098 1061747194 /nfs/dbraw/zinc/74/71/94/1061747194.db2.gz VLTDPWGXMNRONU-SQGPQFPESA-N 1 0 463.545 2.818 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001294230677 1061748110 /nfs/dbraw/zinc/74/81/10/1061748110.db2.gz ZRXRUYDWWBAGSG-AWRGLXIESA-N 1 0 459.639 2.644 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001294231784 1061748704 /nfs/dbraw/zinc/74/87/04/1061748704.db2.gz GFGIMVSMJDYRHG-QGZVFWFLSA-N 1 0 462.624 2.568 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCCCO4)n3CC(=O)NCC(F)(F)F)CC2)c1 ZINC001290033184 1061749278 /nfs/dbraw/zinc/74/92/78/1061749278.db2.gz CRKXVHOMLHTEBN-LJQANCHMSA-N 1 0 480.535 2.829 20 0 JFADRO CCCCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001294240912 1061751744 /nfs/dbraw/zinc/75/17/44/1061751744.db2.gz ZAYUZIYKUQQDIC-UHFFFAOYSA-N 1 0 490.722 2.891 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3CCn3cc(Cl)cn3)CC2)c1 ZINC001290035163 1061751779 /nfs/dbraw/zinc/75/17/79/1061751779.db2.gz ZXTIYOSDAHWKEN-UHFFFAOYSA-N 1 0 471.009 2.597 20 0 JFADRO CCCCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001294240173 1061751999 /nfs/dbraw/zinc/75/19/99/1061751999.db2.gz OBGYRHGPZYEGSR-HXUWFJFHSA-N 1 0 480.661 2.844 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(CC(C)(C)C)n3CCN3CCCS3(=O)=O)CC2)c1 ZINC001290037690 1061755096 /nfs/dbraw/zinc/75/50/96/1061755096.db2.gz QUXCYFHQYGTKCZ-UHFFFAOYSA-N 1 0 474.675 2.533 20 0 JFADRO COc1cc(OC)cc(N2CC[C@@H](NC(=O)Cc3csc(SCC[NH+](C)C)n3)C2)c1 ZINC001294291327 1061776845 /nfs/dbraw/zinc/77/68/45/1061776845.db2.gz KEYKMVMYJYWPJS-OAHLLOKOSA-N 1 0 450.630 2.752 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)C[NH+]2CCCCC2)c1 ZINC001290058271 1061778379 /nfs/dbraw/zinc/77/83/79/1061778379.db2.gz FABNXEMLXODWNT-CJFMBICVSA-N 1 0 454.619 2.989 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC001290058277 1061778770 /nfs/dbraw/zinc/77/87/70/1061778770.db2.gz FABNXEMLXODWNT-NBGIEHNGSA-N 1 0 454.619 2.989 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290060458 1061781371 /nfs/dbraw/zinc/78/13/71/1061781371.db2.gz VRKRVFQUORNBML-VQTJNVASSA-N 1 0 454.619 2.988 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001286976153 1061781516 /nfs/dbraw/zinc/78/15/16/1061781516.db2.gz IBFHDVRHNJGYML-IYWMVGAKSA-N 1 0 499.722 2.565 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCc2cnn(C)n2)c1 ZINC001290062302 1061783055 /nfs/dbraw/zinc/78/30/55/1061783055.db2.gz DKZPAZPXMQKUDC-UHFFFAOYSA-N 1 0 452.607 2.894 20 0 JFADRO CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294297058 1061784843 /nfs/dbraw/zinc/78/48/43/1061784843.db2.gz QISLSZKJADAOCY-VQTJNVASSA-N 1 0 489.665 2.893 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290064504 1061788764 /nfs/dbraw/zinc/78/87/64/1061788764.db2.gz SWXAXFLZZXEDOH-AREMUKBSSA-N 1 0 497.644 2.710 20 0 JFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(C(=O)OC(C)(C)C)CCOCC1 ZINC001294300750 1061789406 /nfs/dbraw/zinc/78/94/06/1061789406.db2.gz YHXLWOSZQQPNKV-UHFFFAOYSA-N 1 0 451.652 2.780 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286977452 1061790852 /nfs/dbraw/zinc/79/08/52/1061790852.db2.gz MJAQMAKKOCKVPN-LZJOCLMNSA-N 1 0 457.710 2.706 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294306524 1061794173 /nfs/dbraw/zinc/79/41/73/1061794173.db2.gz BFTWAZVUHXTVQA-RTBURBONSA-N 1 0 470.618 2.929 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001294308582 1061797414 /nfs/dbraw/zinc/79/74/14/1061797414.db2.gz SCVLSGAPCJBXRP-TZIWHRDSSA-N 1 0 473.666 2.566 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294308782 1061797740 /nfs/dbraw/zinc/79/77/40/1061797740.db2.gz VAAOUBVHZSSUSV-ROUUACIJSA-N 1 0 472.556 2.936 20 0 JFADRO CCCCn1cc(Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c(C)n1 ZINC001294308976 1061797815 /nfs/dbraw/zinc/79/78/15/1061797815.db2.gz XMDOPNFWPLUAFK-UHFFFAOYSA-N 1 0 470.666 2.673 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294309170 1061798446 /nfs/dbraw/zinc/79/84/46/1061798446.db2.gz ZXXMNDOADQDIEV-QUCCMNQESA-N 1 0 461.655 2.518 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)c1 ZINC001290071610 1061798581 /nfs/dbraw/zinc/79/85/81/1061798581.db2.gz QABNEQGBRZUFIP-JOCHJYFZSA-N 1 0 498.672 2.707 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294309938 1061799875 /nfs/dbraw/zinc/79/98/75/1061799875.db2.gz CZRSTJZAMGYUFN-IEBWSBKVSA-N 1 0 496.582 2.838 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001294310168 1061800693 /nfs/dbraw/zinc/80/06/93/1061800693.db2.gz FJQDPNVXXYXYAT-NJDAHSKKSA-N 1 0 462.639 2.514 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001294310198 1061800997 /nfs/dbraw/zinc/80/09/97/1061800997.db2.gz FXDBXQBWDPVABV-QHCPKHFHSA-N 1 0 495.672 2.773 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001294310167 1061801090 /nfs/dbraw/zinc/80/10/90/1061801090.db2.gz FJQDPNVXXYXYAT-HKBOAZHASA-N 1 0 462.639 2.514 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294311504 1061802539 /nfs/dbraw/zinc/80/25/39/1061802539.db2.gz MWDPYIALYKIHRU-RZUBCFFCSA-N 1 0 470.618 2.663 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294312342 1061803687 /nfs/dbraw/zinc/80/36/87/1061803687.db2.gz YXXRYRKLNWLWFF-NRFANRHFSA-N 1 0 489.690 2.855 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001294313355 1061805417 /nfs/dbraw/zinc/80/54/17/1061805417.db2.gz BYFILZYHEFWUPT-HBMCJLEFSA-N 1 0 482.695 2.502 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294315146 1061806031 /nfs/dbraw/zinc/80/60/31/1061806031.db2.gz AEPXSIWMUMSZQO-SLFFLAALSA-N 1 0 453.653 2.798 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294313761 1061806270 /nfs/dbraw/zinc/80/62/70/1061806270.db2.gz DVEYFNLHPRDODU-VXKWHMMOSA-N 1 0 474.675 2.932 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294315166 1061806795 /nfs/dbraw/zinc/80/67/95/1061806795.db2.gz ANTIIJCEODBBAN-LEWJYISDSA-N 1 0 482.695 2.644 20 0 JFADRO Cc1cnn(C[C@H]2CN(c3nnc(COc4cccc(C)c4)n3C[C@H](C)[NH+](C)C)CCO2)c1 ZINC001290078112 1061808321 /nfs/dbraw/zinc/80/83/21/1061808321.db2.gz RSOSGGBAYYIWKT-RBBKRZOGSA-N 1 0 453.591 2.526 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294316072 1061810043 /nfs/dbraw/zinc/81/00/43/1061810043.db2.gz DIQQVZNGAYEDPY-QUCCMNQESA-N 1 0 458.582 2.962 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294316392 1061810460 /nfs/dbraw/zinc/81/04/60/1061810460.db2.gz OFQSARHIKXHGAI-QFIPXVFZSA-N 1 0 459.660 2.953 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316539 1061810763 /nfs/dbraw/zinc/81/07/63/1061810763.db2.gz HFHNEODVKCGAPM-PXDATVDWSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317210 1061812125 /nfs/dbraw/zinc/81/21/25/1061812125.db2.gz KDVKXPLLFMJKNP-MOPGFXCFSA-N 1 0 471.654 2.762 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294317757 1061814919 /nfs/dbraw/zinc/81/49/19/1061814919.db2.gz YNSKHCYPSPRNGY-QFIPXVFZSA-N 1 0 468.650 2.770 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290087256 1061820672 /nfs/dbraw/zinc/82/06/72/1061820672.db2.gz QDGSRAIUCFHYFZ-HSZRJFAPSA-N 1 0 454.619 2.651 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001290093422 1061824361 /nfs/dbraw/zinc/82/43/61/1061824361.db2.gz OZYFTGCUKSBWJR-HXUWFJFHSA-N 1 0 475.659 2.768 20 0 JFADRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001286982401 1061826910 /nfs/dbraw/zinc/82/69/10/1061826910.db2.gz SNUQRMGHKRGHDC-PMACEKPBSA-N 1 0 473.666 2.626 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001294326220 1061837165 /nfs/dbraw/zinc/83/71/65/1061837165.db2.gz PWBIPSFQRAMRCP-QHAWAJNXSA-N 1 0 468.650 2.988 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001290124430 1061854220 /nfs/dbraw/zinc/85/42/20/1061854220.db2.gz IMUQZSZUQHELNQ-LJQANCHMSA-N 1 0 462.664 2.607 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290128263 1061859160 /nfs/dbraw/zinc/85/91/60/1061859160.db2.gz CDQKXSURGUKUJC-QFIPXVFZSA-N 1 0 467.662 2.630 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001286986771 1061865590 /nfs/dbraw/zinc/86/55/90/1061865590.db2.gz WNIFBQDBNFUBGX-UHFFFAOYSA-N 1 0 483.661 2.507 20 0 JFADRO Cc1ccccc1[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001290140394 1061872998 /nfs/dbraw/zinc/87/29/98/1061872998.db2.gz GWPSTDQRCRUCPC-NRFANRHFSA-N 1 0 468.646 2.954 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC(N)=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290144597 1061879947 /nfs/dbraw/zinc/87/99/47/1061879947.db2.gz BYNVVKPHMRCSBZ-AQNXPRMDSA-N 1 0 456.635 2.765 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC(N)=O)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001290145017 1061881664 /nfs/dbraw/zinc/88/16/64/1061881664.db2.gz GCTBXEWQELBWEY-NRFANRHFSA-N 1 0 468.646 2.913 20 0 JFADRO CC(C)(C)c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001286990682 1061886811 /nfs/dbraw/zinc/88/68/11/1061886811.db2.gz QJUIDJNNGDZOEO-JOCHJYFZSA-N 1 0 489.686 2.714 20 0 JFADRO Cc1ccccc1[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001290146651 1061888456 /nfs/dbraw/zinc/88/84/56/1061888456.db2.gz XOXUGUCXRXJWDA-RBBKRZOGSA-N 1 0 492.690 2.893 20 0 JFADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001290146650 1061888490 /nfs/dbraw/zinc/88/84/90/1061888490.db2.gz XOXUGUCXRXJWDA-IRLDBZIGSA-N 1 0 492.690 2.893 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294341362 1061888459 /nfs/dbraw/zinc/88/84/59/1061888459.db2.gz FPBJIMKKVPFWHH-NRFANRHFSA-N 1 0 469.634 2.584 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C1 ZINC001294341906 1061891653 /nfs/dbraw/zinc/89/16/53/1061891653.db2.gz LPSYWZKXQNINKR-HXUWFJFHSA-N 1 0 457.648 2.522 20 0 JFADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)cnn1C ZINC001290150878 1061891732 /nfs/dbraw/zinc/89/17/32/1061891732.db2.gz CTVBKARZTMEERP-UHFFFAOYSA-N 1 0 451.619 2.702 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001294343132 1061894753 /nfs/dbraw/zinc/89/47/53/1061894753.db2.gz VHNVVOWYUUFURZ-FDDCHVKYSA-N 1 0 459.664 2.843 20 0 JFADRO COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(OC)c1OC ZINC001294346426 1061902004 /nfs/dbraw/zinc/90/20/04/1061902004.db2.gz DWMJXAGFOGXWCO-GOSISDBHSA-N 1 0 459.587 2.651 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294347921 1061906825 /nfs/dbraw/zinc/90/68/25/1061906825.db2.gz VNHOBCZNTIPNRP-IFMALSPDSA-N 1 0 497.692 2.535 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001287001212 1061916826 /nfs/dbraw/zinc/91/68/26/1061916826.db2.gz NSFCASRAAGNCRR-GOSISDBHSA-N 1 0 464.636 2.524 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001287004212 1061921918 /nfs/dbraw/zinc/92/19/18/1061921918.db2.gz GAGRCIFUSMDUDO-FGZHOGPDSA-N 1 0 489.686 2.594 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001287004572 1061922672 /nfs/dbraw/zinc/92/26/72/1061922672.db2.gz KUYLDAPBFXWCNY-LJQANCHMSA-N 1 0 466.696 2.844 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287004840 1061923432 /nfs/dbraw/zinc/92/34/32/1061923432.db2.gz CDTHQELNLHDQOK-FQEVSTJZSA-N 1 0 474.675 2.836 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001290176419 1061924324 /nfs/dbraw/zinc/92/43/24/1061924324.db2.gz JWCXGGLIBXWIHX-UHFFFAOYSA-N 1 0 474.675 2.523 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(c3nccs3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287006687 1061927847 /nfs/dbraw/zinc/92/78/47/1061927847.db2.gz YGNOTGSNBAAGAV-LJQANCHMSA-N 1 0 461.680 2.986 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001290184057 1061929293 /nfs/dbraw/zinc/92/92/93/1061929293.db2.gz WPWHDPXAHVBFBP-FQEVSTJZSA-N 1 0 459.660 2.924 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001294359383 1061931605 /nfs/dbraw/zinc/93/16/05/1061931605.db2.gz PMIZXFJRPHVHMP-RBUKOAKNSA-N 1 0 487.674 2.726 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCN1CCOCC1 ZINC001287007560 1061931648 /nfs/dbraw/zinc/93/16/48/1061931648.db2.gz GKLYNABNZLLXGI-UHFFFAOYSA-N 1 0 470.618 2.757 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001294359813 1061932093 /nfs/dbraw/zinc/93/20/93/1061932093.db2.gz TVYCDJWVSZXQEM-JAXLGGSGSA-N 1 0 490.693 2.803 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C3CCC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001290195484 1061936796 /nfs/dbraw/zinc/93/67/96/1061936796.db2.gz CKBFXUANMUJXTG-UHFFFAOYSA-N 1 0 450.509 2.855 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)F)CC1 ZINC001290197013 1061938233 /nfs/dbraw/zinc/93/82/33/1061938233.db2.gz PRPZXJNCJYHYNK-IBGZPJMESA-N 1 0 462.545 2.532 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001294372252 1061940842 /nfs/dbraw/zinc/94/08/42/1061940842.db2.gz GIMOMVBXEGQSOH-UHFFFAOYSA-N 1 0 470.618 2.943 20 0 JFADRO Cc1ccccc1O[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001290199675 1061941282 /nfs/dbraw/zinc/94/12/82/1061941282.db2.gz LVXUMPICDKBSIZ-LEWJYISDSA-N 1 0 484.645 2.882 20 0 JFADRO Cc1ccccc1N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001290200200 1061942038 /nfs/dbraw/zinc/94/20/38/1061942038.db2.gz RXQWDFXJQPLCAP-JOCHJYFZSA-N 1 0 488.702 2.934 20 0 JFADRO Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCOCC1 ZINC001290203663 1061946978 /nfs/dbraw/zinc/94/69/78/1061946978.db2.gz UOVHIDJGMRNLJR-FQEVSTJZSA-N 1 0 470.618 2.554 20 0 JFADRO Cc1ccccc1O[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001290204723 1061948222 /nfs/dbraw/zinc/94/82/22/1061948222.db2.gz NNGHMNFQJCLDFP-FCHUYYIVSA-N 1 0 468.646 2.995 20 0 JFADRO CCCCOc1ncccc1Cn1c(C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294375745 1061949735 /nfs/dbraw/zinc/94/97/35/1061949735.db2.gz BPYHCBNXBFLWEP-WMZHIEFXSA-N 1 0 469.634 2.588 20 0 JFADRO Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCN3CCC([NH+](C)C)CC3)c2)c1 ZINC001294375995 1061949817 /nfs/dbraw/zinc/94/98/17/1061949817.db2.gz JPDZQIPLKOKYAH-UHFFFAOYSA-N 1 0 458.628 2.860 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001290216822 1061960870 /nfs/dbraw/zinc/96/08/70/1061960870.db2.gz BFMMMDFWGNCRQE-UHFFFAOYSA-N 1 0 460.648 2.670 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CCC[NH+]1CCCCC1 ZINC001287024542 1061966712 /nfs/dbraw/zinc/96/67/12/1061966712.db2.gz SLCLTGYMCIAMRW-UHFFFAOYSA-N 1 0 454.685 2.508 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001287027750 1061974215 /nfs/dbraw/zinc/97/42/15/1061974215.db2.gz CFZGIKOYTFNLJD-HYBUGGRVSA-N 1 0 481.707 2.509 20 0 JFADRO Cc1ccnc(OC2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC001290228566 1061975530 /nfs/dbraw/zinc/97/55/30/1061975530.db2.gz CIXPYDWCCDKJMT-OYRHEFFESA-N 1 0 499.660 2.667 20 0 JFADRO CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001290231830 1061980750 /nfs/dbraw/zinc/98/07/50/1061980750.db2.gz ZSXPGUAVEOTROG-FHWLQOOXSA-N 1 0 452.669 2.801 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001287030908 1061982322 /nfs/dbraw/zinc/98/23/22/1061982322.db2.gz VUWYDHKWEZGWHS-HXUWFJFHSA-N 1 0 482.673 2.964 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001287031588 1061984571 /nfs/dbraw/zinc/98/45/71/1061984571.db2.gz IDOUOIHYOAWYOI-HXUWFJFHSA-N 1 0 481.707 2.915 20 0 JFADRO CCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001294427087 1061986320 /nfs/dbraw/zinc/98/63/20/1061986320.db2.gz JETHZCTYCJMEKJ-ROUUACIJSA-N 1 0 453.595 2.655 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287032611 1061987977 /nfs/dbraw/zinc/98/79/77/1061987977.db2.gz RPPGTDIIHZULPK-QHCPKHFHSA-N 1 0 482.673 2.605 20 0 JFADRO CC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001290250110 1061988895 /nfs/dbraw/zinc/98/88/95/1061988895.db2.gz DZITWEXRODCHSC-ROUUACIJSA-N 1 0 464.661 2.943 20 0 JFADRO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001294434840 1061988987 /nfs/dbraw/zinc/98/89/87/1061988987.db2.gz MRGMVXIRXBWYLQ-LJQANCHMSA-N 1 0 467.618 2.929 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)C1 ZINC001294453715 1061998398 /nfs/dbraw/zinc/99/83/98/1061998398.db2.gz DZPXLIGKMUADCE-INIZCTEOSA-N 1 0 469.619 2.556 20 0 JFADRO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C2)c1 ZINC001290270581 1061999617 /nfs/dbraw/zinc/99/96/17/1061999617.db2.gz BFRHOROIPMWMCB-HXUWFJFHSA-N 1 0 456.639 2.885 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNS(C)(=O)=O)C1 ZINC001294455533 1062002673 /nfs/dbraw/zinc/00/26/73/1062002673.db2.gz FPHYGFHTKRSSPU-GOSISDBHSA-N 1 0 494.731 2.993 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455524 1062002811 /nfs/dbraw/zinc/00/28/11/1062002811.db2.gz FIMDUAFPKLCIHF-CPJSRVTESA-N 1 0 488.681 2.882 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001287036953 1062003749 /nfs/dbraw/zinc/00/37/49/1062003749.db2.gz ZRENIIKLUABTDS-HXUWFJFHSA-N 1 0 466.696 2.745 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001287039273 1062005986 /nfs/dbraw/zinc/00/59/86/1062005986.db2.gz BOYGRELEYXIWIN-UHFFFAOYSA-N 1 0 497.669 2.877 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCOC2)CC1 ZINC001287039528 1062006554 /nfs/dbraw/zinc/00/65/54/1062006554.db2.gz IVIYGMLOUZIKIQ-LJQANCHMSA-N 1 0 475.659 2.943 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459623 1062006486 /nfs/dbraw/zinc/00/64/86/1062006486.db2.gz VEKDZZJMYPAXAN-MSOLQXFVSA-N 1 0 456.570 2.902 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294460031 1062007614 /nfs/dbraw/zinc/00/76/14/1062007614.db2.gz AKWGKRHWBJKYKU-OALUTQOASA-N 1 0 491.658 2.565 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)C1 ZINC001294460311 1062007839 /nfs/dbraw/zinc/00/78/39/1062007839.db2.gz CFJRMRVMSNOZAR-OAHLLOKOSA-N 1 0 489.473 2.969 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCOCC2)CC1 ZINC001287041189 1062008707 /nfs/dbraw/zinc/00/87/07/1062008707.db2.gz HENFMKYVQRJILZ-UHFFFAOYSA-N 1 0 455.651 2.544 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2COCCO2)C1 ZINC001294460738 1062009274 /nfs/dbraw/zinc/00/92/74/1062009274.db2.gz JPKUJKCZDSNBDT-ICSRJNTNSA-N 1 0 459.591 2.546 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)C1 ZINC001294461178 1062009891 /nfs/dbraw/zinc/00/98/91/1062009891.db2.gz SZKKWXWQDNVHJQ-KRWDZBQOSA-N 1 0 456.591 2.614 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294461273 1062010706 /nfs/dbraw/zinc/01/07/06/1062010706.db2.gz VXECKCANFGCLPV-SFHVURJKSA-N 1 0 481.066 2.986 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001287042097 1062011021 /nfs/dbraw/zinc/01/10/21/1062011021.db2.gz ZIGWWSSLIHXVRS-UHFFFAOYSA-N 1 0 469.678 2.933 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001294461913 1062011598 /nfs/dbraw/zinc/01/15/98/1062011598.db2.gz FLWMZEKWVBHDQC-SFHVURJKSA-N 1 0 472.638 2.714 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCOCC2)C1 ZINC001294461934 1062011777 /nfs/dbraw/zinc/01/17/77/1062011777.db2.gz FWAFPNGNGYCCFY-NRFANRHFSA-N 1 0 455.651 2.927 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 ZINC001294462893 1062013000 /nfs/dbraw/zinc/01/30/00/1062013000.db2.gz NHVWJLHTVHTLGJ-HXUWFJFHSA-N 1 0 454.623 2.696 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287042606 1062012812 /nfs/dbraw/zinc/01/28/12/1062012812.db2.gz DPRSDAOMYBJHAH-KRWDZBQOSA-N 1 0 481.066 2.801 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)N2CCOCC2)CC1 ZINC001287042771 1062013248 /nfs/dbraw/zinc/01/32/48/1062013248.db2.gz GWZCTQYONAKLOZ-UHFFFAOYSA-N 1 0 492.571 2.716 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)C1 ZINC001294465144 1062014792 /nfs/dbraw/zinc/01/47/92/1062014792.db2.gz ZZTYTKLBKCLDHA-NRFANRHFSA-N 1 0 455.651 2.927 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCSCCCO)CC1 ZINC001287043491 1062015425 /nfs/dbraw/zinc/01/54/25/1062015425.db2.gz FKJBUACWIUWDHV-HXUWFJFHSA-N 1 0 461.632 2.827 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)C1 ZINC001294467216 1062015709 /nfs/dbraw/zinc/01/57/09/1062015709.db2.gz FFUNKNVSSIPRPL-ILWGZMRPSA-N 1 0 475.659 2.736 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccc(F)cc2)C1 ZINC001294467358 1062016040 /nfs/dbraw/zinc/01/60/40/1062016040.db2.gz FPKYKGNNZUVXIF-WMQCIHAUSA-N 1 0 458.582 2.924 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467348 1062016127 /nfs/dbraw/zinc/01/61/27/1062016127.db2.gz FMSYTYDXXPRYTN-ROUUACIJSA-N 1 0 477.654 2.701 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(F)(F)C2)C1 ZINC001294469189 1062021204 /nfs/dbraw/zinc/02/12/04/1062021204.db2.gz VPCUEJJSBXTASC-BZSNNMDCSA-N 1 0 459.607 2.784 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 ZINC001294469412 1062021673 /nfs/dbraw/zinc/02/16/73/1062021673.db2.gz YSSAAYYLSWZIIF-ZYLNGJIFSA-N 1 0 494.681 2.916 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)C(=O)NC)C1 ZINC001294469386 1062022026 /nfs/dbraw/zinc/02/20/26/1062022026.db2.gz YJMHESAXBDNHKB-QGZVFWFLSA-N 1 0 480.617 2.534 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 ZINC001294469506 1062022402 /nfs/dbraw/zinc/02/24/02/1062022402.db2.gz AAPOFCRNJBESKC-WATLYSKOSA-N 1 0 457.619 2.874 20 0 JFADRO CC(C)(C)NC(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001287045709 1062025036 /nfs/dbraw/zinc/02/50/36/1062025036.db2.gz FXZBHRGXSDBUOZ-UHFFFAOYSA-N 1 0 483.661 2.974 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)C1 ZINC001294474145 1062026848 /nfs/dbraw/zinc/02/68/48/1062026848.db2.gz NGNMMQFTFYCIDF-SIKLNZKXSA-N 1 0 468.646 2.960 20 0 JFADRO Cc1cnc([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)s1 ZINC001290297704 1062026981 /nfs/dbraw/zinc/02/69/81/1062026981.db2.gz XGRMPGZLMUFLCF-NJAFHUGGSA-N 1 0 481.692 2.522 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287046482 1062027356 /nfs/dbraw/zinc/02/73/56/1062027356.db2.gz RQBKKKQRHXPWGW-HXUWFJFHSA-N 1 0 495.594 2.838 20 0 JFADRO CCCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001294482943 1062031714 /nfs/dbraw/zinc/03/17/14/1062031714.db2.gz RTYRTMACOFKIDZ-GOSISDBHSA-N 1 0 472.725 2.876 20 0 JFADRO CCCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001294491508 1062033310 /nfs/dbraw/zinc/03/33/10/1062033310.db2.gz XHXOZGVNRDNQHC-UHFFFAOYSA-N 1 0 456.639 2.535 20 0 JFADRO CC(C)(C)NC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001287048274 1062036841 /nfs/dbraw/zinc/03/68/41/1062036841.db2.gz SXEDVJVNGUGWGW-JOCHJYFZSA-N 1 0 489.709 2.878 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001294506027 1062043053 /nfs/dbraw/zinc/04/30/53/1062043053.db2.gz FUEJJBNDMPCLFM-QAPCUYQASA-N 1 0 453.429 2.985 20 0 JFADRO C[N@H+](CCCNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001290318950 1062043185 /nfs/dbraw/zinc/04/31/85/1062043185.db2.gz RZNCGATVGMCBAJ-WJOKGBTCSA-N 1 0 451.633 2.773 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294506205 1062043738 /nfs/dbraw/zinc/04/37/38/1062043738.db2.gz HWYSMHXZFCRKJH-HZPDHXFCSA-N 1 0 467.368 2.882 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294506206 1062043877 /nfs/dbraw/zinc/04/38/77/1062043877.db2.gz HWYSMHXZFCRKJH-JKSUJKDBSA-N 1 0 467.368 2.882 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294507819 1062045230 /nfs/dbraw/zinc/04/52/30/1062045230.db2.gz UTKITVJJPWVZIG-OAHLLOKOSA-N 1 0 466.428 2.825 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294508093 1062046058 /nfs/dbraw/zinc/04/60/58/1062046058.db2.gz XQZTYJRFQMGZLQ-HNNXBMFYSA-N 1 0 479.423 2.760 20 0 JFADRO Cc1csc([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CC[NH+](C(C)C)C(C)C)CCO2)n1 ZINC001290325348 1062050781 /nfs/dbraw/zinc/05/07/81/1062050781.db2.gz OFOUSNPFFVZTNP-LJQANCHMSA-N 1 0 475.663 2.976 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001294515483 1062051404 /nfs/dbraw/zinc/05/14/04/1062051404.db2.gz HHKJSZXZAUTFNV-UHFFFAOYSA-N 1 0 456.639 2.639 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001294515451 1062051704 /nfs/dbraw/zinc/05/17/04/1062051704.db2.gz GSPWAONFERNNMR-UHFFFAOYSA-N 1 0 453.591 2.804 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001294516204 1062052886 /nfs/dbraw/zinc/05/28/86/1062052886.db2.gz ODQFDGPNNKFGQU-UHFFFAOYSA-N 1 0 452.607 2.746 20 0 JFADRO Cc1csc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290335783 1062054963 /nfs/dbraw/zinc/05/49/63/1062054963.db2.gz BVLDIUNAYARIFY-SJLPKXTDSA-N 1 0 451.662 2.918 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294520982 1062056385 /nfs/dbraw/zinc/05/63/85/1062056385.db2.gz CIYWRAKMZJVXOE-INIZCTEOSA-N 1 0 476.423 2.653 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001294522585 1062058716 /nfs/dbraw/zinc/05/87/16/1062058716.db2.gz GMDXDKBIBUSKFN-SFHVURJKSA-N 1 0 456.591 2.540 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001294522884 1062058763 /nfs/dbraw/zinc/05/87/63/1062058763.db2.gz WGHLZCLUXWSZRR-JQVVWYNYSA-N 1 0 459.591 2.763 20 0 JFADRO CCC[N@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001294523793 1062060623 /nfs/dbraw/zinc/06/06/23/1062060623.db2.gz YFFAOZCEWAEPRY-UHFFFAOYSA-N 1 0 461.699 2.733 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001294524798 1062061929 /nfs/dbraw/zinc/06/19/29/1062061929.db2.gz RCTWGEZIBZWQJV-QPPBQGQZSA-N 1 0 467.662 2.666 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CCC(N2CCCC2=O)CC1 ZINC001294527065 1062063362 /nfs/dbraw/zinc/06/33/62/1062063362.db2.gz KYSBIHQKIUAOEZ-UHFFFAOYSA-N 1 0 459.664 2.957 20 0 JFADRO CCC[N@H+](CC)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001294528093 1062064452 /nfs/dbraw/zinc/06/44/52/1062064452.db2.gz SBIIARVTONVXBO-RBBKRZOGSA-N 1 0 454.619 2.954 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001294528584 1062064809 /nfs/dbraw/zinc/06/48/09/1062064809.db2.gz DRLNNOLERHRUAP-SFTDATJTSA-N 1 0 491.681 2.603 20 0 JFADRO 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CCC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294663820 1062217264 /nfs/dbraw/zinc/21/72/64/1062217264.db2.gz TUSIZUCDIOYINM-QFIPXVFZSA-N 1 0 453.635 2.691 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001294666352 1062219055 /nfs/dbraw/zinc/21/90/55/1062219055.db2.gz CVZNDFSRFLYEFO-GOSISDBHSA-N 1 0 460.554 2.617 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](COC)C2)CC1 ZINC001294666609 1062220000 /nfs/dbraw/zinc/22/00/00/1062220000.db2.gz HNNGOSPLWCDZKU-HXUWFJFHSA-N 1 0 461.582 2.970 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C(=O)NC)C2)C1 ZINC001294669846 1062225989 /nfs/dbraw/zinc/22/59/89/1062225989.db2.gz MHWSKPWIXQPPRA-PLACYPQZSA-N 1 0 460.667 2.891 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CCCc3ccccc3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001294670113 1062226585 /nfs/dbraw/zinc/22/65/85/1062226585.db2.gz PECISADPJVYRAT-HSZRJFAPSA-N 1 0 488.702 2.657 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCNC(=O)C2)C1 ZINC001294670659 1062228880 /nfs/dbraw/zinc/22/88/80/1062228880.db2.gz UBCSYXWDXLNPNU-FQEVSTJZSA-N 1 0 454.619 2.957 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCCN(CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671507 1062231096 /nfs/dbraw/zinc/23/10/96/1062231096.db2.gz XSYFWOACOQTOLN-OAQYLSRUSA-N 1 0 461.699 2.688 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001294674427 1062233245 /nfs/dbraw/zinc/23/32/45/1062233245.db2.gz HFEWLJTYELZGSG-HSZRJFAPSA-N 1 0 460.648 2.794 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001294674428 1062233668 /nfs/dbraw/zinc/23/36/68/1062233668.db2.gz HFEWLJTYELZGSG-QHCPKHFHSA-N 1 0 460.648 2.794 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294675011 1062234273 /nfs/dbraw/zinc/23/42/73/1062234273.db2.gz DJSGGMNGXZMRAG-CAQRMWTPSA-N 1 0 481.707 2.931 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001294674833 1062234316 /nfs/dbraw/zinc/23/43/16/1062234316.db2.gz BTDPQFULLONLPL-ZWKOTPCHSA-N 1 0 481.439 2.886 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674959 1062234904 /nfs/dbraw/zinc/23/49/04/1062234904.db2.gz PHNMISYPBDKNBT-HSALFYBXSA-N 1 0 478.638 2.591 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nc(C)c(C)s2)CC1 ZINC001294675765 1062237380 /nfs/dbraw/zinc/23/73/80/1062237380.db2.gz PEJALRLHPQVHLK-INIZCTEOSA-N 1 0 483.708 2.515 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC)c3)n2CCCN2CCOCC2)CC1 ZINC001294676834 1062237849 /nfs/dbraw/zinc/23/78/49/1062237849.db2.gz FMTPGPSOLYABEL-UHFFFAOYSA-N 1 0 456.635 2.987 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)CC1 ZINC001294682594 1062240885 /nfs/dbraw/zinc/24/08/85/1062240885.db2.gz DOMJQIJPAJICOZ-IBGZPJMESA-N 1 0 491.681 2.839 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001294682931 1062241376 /nfs/dbraw/zinc/24/13/76/1062241376.db2.gz BVACIYDUNIHIDG-JOCHJYFZSA-N 1 0 467.618 2.741 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)(C)C)CC1 ZINC001294684577 1062244775 /nfs/dbraw/zinc/24/47/75/1062244775.db2.gz RWVFJNIYVZIADB-UHFFFAOYSA-N 1 0 473.622 2.621 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2ccnc(SC)c2)CC1 ZINC001294686484 1062246727 /nfs/dbraw/zinc/24/67/27/1062246727.db2.gz PCMMXLDUUHFCKM-UHFFFAOYSA-N 1 0 457.648 2.876 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001294686132 1062246925 /nfs/dbraw/zinc/24/69/25/1062246925.db2.gz NLMPMIBOJGEJFI-JOCHJYFZSA-N 1 0 470.666 2.709 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001294686822 1062247353 /nfs/dbraw/zinc/24/73/53/1062247353.db2.gz LXATVKSRXFLAKC-UHFFFAOYSA-N 1 0 453.635 2.977 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccco2)CC1 ZINC001294686967 1062247377 /nfs/dbraw/zinc/24/73/77/1062247377.db2.gz SHHKEFUUWPEMQJ-UHFFFAOYSA-N 1 0 451.575 2.598 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC2CC2)CC1 ZINC001294687960 1062248500 /nfs/dbraw/zinc/24/85/00/1062248500.db2.gz UDEVWBLNLKFTEH-UHFFFAOYSA-N 1 0 460.573 2.984 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001294688289 1062248644 /nfs/dbraw/zinc/24/86/44/1062248644.db2.gz WPCNQTOCDRHIKK-UHFFFAOYSA-N 1 0 461.614 2.982 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1F ZINC001290466686 1062251512 /nfs/dbraw/zinc/25/15/12/1062251512.db2.gz IUPSDFSYJFSWTM-UHFFFAOYSA-N 1 0 458.555 2.851 20 0 JFADRO Cc1nc(CN2CCCN(c3nnc(Cc4ccccc4F)n3CC[N@@H+](C)C(C)C)CC2)no1 ZINC001290467655 1062252615 /nfs/dbraw/zinc/25/26/15/1062252615.db2.gz IJXKXKGBLIVOJG-UHFFFAOYSA-N 1 0 470.597 2.752 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001294693634 1062252946 /nfs/dbraw/zinc/25/29/46/1062252946.db2.gz OWYXBDJEJFJXSL-FQEVSTJZSA-N 1 0 468.650 2.705 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001294693877 1062253962 /nfs/dbraw/zinc/25/39/62/1062253962.db2.gz IKSBAAAXBFBYCJ-SFTDATJTSA-N 1 0 496.660 2.883 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 ZINC001294694235 1062254209 /nfs/dbraw/zinc/25/42/09/1062254209.db2.gz KDJAIMUATKGMCL-OAQYLSRUSA-N 1 0 483.665 2.578 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001294694491 1062254655 /nfs/dbraw/zinc/25/46/55/1062254655.db2.gz UPCXCXUCZUVBMK-WOJBJXKFSA-N 1 0 456.639 2.798 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001294695101 1062255999 /nfs/dbraw/zinc/25/59/99/1062255999.db2.gz YTBGHLZBPZCWER-UHFFFAOYSA-N 1 0 481.576 2.849 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001294695024 1062256315 /nfs/dbraw/zinc/25/63/15/1062256315.db2.gz XUSGTPBAPLIKTA-OAQYLSRUSA-N 1 0 488.706 2.768 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294695955 1062256666 /nfs/dbraw/zinc/25/66/66/1062256666.db2.gz BEZVGZAHZZCNRV-FGZHOGPDSA-N 1 0 454.619 2.859 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)OC)CC1 ZINC001294695596 1062256930 /nfs/dbraw/zinc/25/69/30/1062256930.db2.gz OOZIEJOFPVMKRC-IBGZPJMESA-N 1 0 469.590 2.579 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294695959 1062257729 /nfs/dbraw/zinc/25/77/29/1062257729.db2.gz BEZVGZAHZZCNRV-VXKWHMMOSA-N 1 0 454.619 2.859 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001294698463 1062261021 /nfs/dbraw/zinc/26/10/21/1062261021.db2.gz JJZSDYKWPVKVMQ-HXUWFJFHSA-N 1 0 470.618 2.929 20 0 JFADRO Cc1nc(CN2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[N@@H+](C)C(C)C)CC2)cs1 ZINC001290470159 1062261385 /nfs/dbraw/zinc/26/13/85/1062261385.db2.gz XVIAMTZIPZJIFC-HXUWFJFHSA-N 1 0 461.680 2.990 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001294698471 1062261753 /nfs/dbraw/zinc/26/17/53/1062261753.db2.gz XRIWXOZUYTUFOI-NRSPTQNISA-N 1 0 482.695 2.548 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001294698472 1062261793 /nfs/dbraw/zinc/26/17/93/1062261793.db2.gz XRIWXOZUYTUFOI-TYPHKJRUSA-N 1 0 482.695 2.548 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(=O)NC ZINC001294700232 1062264758 /nfs/dbraw/zinc/26/47/58/1062264758.db2.gz VOXFMHUCZPEJCW-QFIPXVFZSA-N 1 0 464.618 2.968 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294699919 1062265277 /nfs/dbraw/zinc/26/52/77/1062265277.db2.gz PZFLOWZOAAXYSJ-GOSISDBHSA-N 1 0 461.014 2.719 20 0 JFADRO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC001290474760 1062265678 /nfs/dbraw/zinc/26/56/78/1062265678.db2.gz SFVHKYMOWDHOHP-QGZVFWFLSA-N 1 0 484.630 2.828 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001294701442 1062267320 /nfs/dbraw/zinc/26/73/20/1062267320.db2.gz ZYNFVQJRUHUIFU-LJQANCHMSA-N 1 0 456.591 2.553 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294706326 1062269573 /nfs/dbraw/zinc/26/95/73/1062269573.db2.gz ASICCRCNEYRCAP-LEWJYISDSA-N 1 0 457.623 2.794 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294708522 1062274771 /nfs/dbraw/zinc/27/47/71/1062274771.db2.gz RHBNUNPJBJETBO-DNVJHFABSA-N 1 0 489.709 2.821 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001294708253 1062274956 /nfs/dbraw/zinc/27/49/56/1062274956.db2.gz HTXFGHIBTGUQIB-QHCPKHFHSA-N 1 0 473.710 2.922 20 0 JFADRO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287089179 1062275018 /nfs/dbraw/zinc/27/50/18/1062275018.db2.gz RFQQYCBFPHCATH-IAQAZVPISA-N 1 0 481.066 2.699 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294708889 1062276112 /nfs/dbraw/zinc/27/61/12/1062276112.db2.gz SNDWKTKNRNPWNU-DVECYGJZSA-N 1 0 459.639 2.556 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294709148 1062276976 /nfs/dbraw/zinc/27/69/76/1062276976.db2.gz GYFANZFJASYBQN-LVCYWYKZSA-N 1 0 475.556 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001294712096 1062280933 /nfs/dbraw/zinc/28/09/33/1062280933.db2.gz PNRCSEBUXOGFCX-FQEVSTJZSA-N 1 0 473.597 2.722 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001294712598 1062282768 /nfs/dbraw/zinc/28/27/68/1062282768.db2.gz UPCMXPFUIZUBCR-QUCCMNQESA-N 1 0 487.674 2.591 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(-c4cnccn4)n3CCC[N@@H+](C)C(C)C)CC2)s1 ZINC001290496059 1062283991 /nfs/dbraw/zinc/28/39/91/1062283991.db2.gz CRCVTXXTHKCINN-UHFFFAOYSA-N 1 0 455.636 2.553 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713340 1062286109 /nfs/dbraw/zinc/28/61/09/1062286109.db2.gz YRISVMFDAFXHDE-VXKWHMMOSA-N 1 0 459.660 2.951 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001294713613 1062287016 /nfs/dbraw/zinc/28/70/16/1062287016.db2.gz ZSSVJJXFEFKPAC-WOJBJXKFSA-N 1 0 489.665 2.768 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290497036 1062287236 /nfs/dbraw/zinc/28/72/36/1062287236.db2.gz TVMDADLMCVSQME-UXHICEINSA-N 1 0 461.680 2.845 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294713728 1062287697 /nfs/dbraw/zinc/28/76/97/1062287697.db2.gz ZRBAUSCPEPXHJW-OFVILXPXSA-N 1 0 476.666 2.642 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294713627 1062287857 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MLJXRJFHFXATSP-UHFFFAOYSA-N 1 0 455.607 2.789 20 0 JFADRO CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)cn2c1 ZINC001294723035 1062301527 /nfs/dbraw/zinc/30/15/27/1062301527.db2.gz NAKLKFBLFJMUOK-LJQANCHMSA-N 1 0 457.575 2.686 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294724771 1062306256 /nfs/dbraw/zinc/30/62/56/1062306256.db2.gz VWENRCGSAFHHOM-JOCHJYFZSA-N 1 0 471.650 2.859 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4n(n3)CCC[C@H]4NC(=O)OC(C)(C)C)cn2)CC1 ZINC001290508719 1062307674 /nfs/dbraw/zinc/30/76/74/1062307674.db2.gz ILYJDXPHKVJHJA-QGZVFWFLSA-N 1 0 455.563 2.642 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@H+]2CC=CCC2)CC1=O ZINC001294725108 1062307636 /nfs/dbraw/zinc/30/76/36/1062307636.db2.gz RTYBRPAMYYXQHJ-UHFFFAOYSA-N 1 0 468.602 2.673 20 0 JFADRO CC(C)=CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001287102584 1062313841 /nfs/dbraw/zinc/31/38/41/1062313841.db2.gz OJIDVPFFGZLNJJ-FGZHOGPDSA-N 1 0 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CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001294802678 1062447019 /nfs/dbraw/zinc/44/70/19/1062447019.db2.gz GVRSISNFSYJDHG-RBBKRZOGSA-N 1 0 453.635 2.738 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001290617679 1062472648 /nfs/dbraw/zinc/47/26/48/1062472648.db2.gz LYXXTBDMZACKET-GOSISDBHSA-N 1 0 467.540 2.828 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001294811867 1062480895 /nfs/dbraw/zinc/48/08/95/1062480895.db2.gz QSWZSLYEBGGFIN-LUKWVAJMSA-N 1 0 490.693 2.865 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC001290621083 1062484341 /nfs/dbraw/zinc/48/43/41/1062484341.db2.gz VFSBNLVDOALVQC-KDURUIRLSA-N 1 0 470.666 2.600 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(N)=O)CC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC001290621086 1062485313 /nfs/dbraw/zinc/48/53/13/1062485313.db2.gz VFSBNLVDOALVQC-RTBURBONSA-N 1 0 470.666 2.600 20 0 JFADRO 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CCCNC(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294888308 1062609949 /nfs/dbraw/zinc/60/99/49/1062609949.db2.gz MZOPHQBSGMNMQL-OAHLLOKOSA-N 1 0 479.423 2.773 20 0 JFADRO Cc1nnc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)s1 ZINC001290691870 1062612584 /nfs/dbraw/zinc/61/25/84/1062612584.db2.gz IBMKGBLFIBRLEJ-UHFFFAOYSA-N 1 0 489.049 2.990 20 0 JFADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001287195237 1062625822 /nfs/dbraw/zinc/62/58/22/1062625822.db2.gz WRJUHRYJMSDRBV-IBGZPJMESA-N 1 0 468.593 2.644 20 0 JFADRO CC(C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001287200900 1062640554 /nfs/dbraw/zinc/64/05/54/1062640554.db2.gz JSGSKFBLSTWIIM-PVAZPRTOSA-N 1 0 472.703 2.933 20 0 JFADRO Cc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001290706213 1062640715 /nfs/dbraw/zinc/64/07/15/1062640715.db2.gz UGVGAQXVROBJTL-PGRDOPGGSA-N 1 0 456.591 2.977 20 0 JFADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290707636 1062641805 /nfs/dbraw/zinc/64/18/05/1062641805.db2.gz TXQXWLACRRXHPU-OKCRPCIYSA-N 1 0 462.639 2.922 20 0 JFADRO Cc1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001290708841 1062642913 /nfs/dbraw/zinc/64/29/13/1062642913.db2.gz KOKBVYYHEKMTGC-FQEVSTJZSA-N 1 0 450.628 2.659 20 0 JFADRO CCCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294907342 1062646285 /nfs/dbraw/zinc/64/62/85/1062646285.db2.gz HWNGSDYDJIWZNI-UHFFFAOYSA-N 1 0 485.652 2.529 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001287205798 1062651730 /nfs/dbraw/zinc/65/17/30/1062651730.db2.gz DOQCXCHQHLIYPW-OAQYLSRUSA-N 1 0 453.635 2.706 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](C(=O)NC3CC3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001287209079 1062657439 /nfs/dbraw/zinc/65/74/39/1062657439.db2.gz VKHAKCFMAZSJOX-FQEVSTJZSA-N 1 0 454.619 2.885 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](N(CC(F)F)C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001287212778 1062668171 /nfs/dbraw/zinc/66/81/71/1062668171.db2.gz SQGSLIMJYZOIBT-SBUREZEXSA-N 1 0 486.608 2.939 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1c(F)cccc1OC(F)F ZINC001287214246 1062676231 /nfs/dbraw/zinc/67/62/31/1062676231.db2.gz LLMBCNGMJTWKPJ-UHFFFAOYSA-N 1 0 480.535 2.935 20 0 JFADRO Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001290763009 1062678469 /nfs/dbraw/zinc/67/84/69/1062678469.db2.gz OEOBXNUXVKWLQX-LJQANCHMSA-N 1 0 450.509 2.540 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001290763062 1062678564 /nfs/dbraw/zinc/67/85/64/1062678564.db2.gz PHADPFNEDWSIGR-FQEVSTJZSA-N 1 0 482.673 2.969 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001287214667 1062679701 /nfs/dbraw/zinc/67/97/01/1062679701.db2.gz PBHFMDTVWFQFDP-IFMALSPDSA-N 1 0 453.635 2.669 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287215169 1062682924 /nfs/dbraw/zinc/68/29/24/1062682924.db2.gz YYFZWFWLRLKVHN-QFIPXVFZSA-N 1 0 472.609 2.740 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CCOc1cccc(F)c1 ZINC001290772122 1062689563 /nfs/dbraw/zinc/68/95/63/1062689563.db2.gz YZLZXOQLNPJAMX-UHFFFAOYSA-N 1 0 458.582 2.623 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924569 1062693628 /nfs/dbraw/zinc/69/36/28/1062693628.db2.gz ISDRCHQXSZMTDZ-UYAOXDASSA-N 1 0 470.618 2.894 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC(C)(OC)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001294924644 1062694498 /nfs/dbraw/zinc/69/44/98/1062694498.db2.gz KBNRUAXHXUHTSA-UHFFFAOYSA-N 1 0 486.661 2.994 20 0 JFADRO CC(C)c1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287217406 1062697090 /nfs/dbraw/zinc/69/70/90/1062697090.db2.gz OYDOGLVFSJJVIH-UHFFFAOYSA-N 1 0 458.630 2.536 20 0 JFADRO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290792486 1062697683 /nfs/dbraw/zinc/69/76/83/1062697683.db2.gz JBYMQYVWUUFQID-SFHVURJKSA-N 1 0 456.488 2.923 20 0 JFADRO Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001290793117 1062698648 /nfs/dbraw/zinc/69/86/48/1062698648.db2.gz PPSCKEFOKRWAQX-UHFFFAOYSA-N 1 0 461.920 2.589 20 0 JFADRO Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290793637 1062700531 /nfs/dbraw/zinc/70/05/31/1062700531.db2.gz JZCWWJHKSOJMGZ-SCTDSRPQSA-N 1 0 450.628 2.920 20 0 JFADRO Cc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290793635 1062700597 /nfs/dbraw/zinc/70/05/97/1062700597.db2.gz JZCWWJHKSOJMGZ-LMMKCTJWSA-N 1 0 450.628 2.920 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2CC[NH+]2CCCC2)cc1OC ZINC001294928232 1062702230 /nfs/dbraw/zinc/70/22/30/1062702230.db2.gz GZPZTVXYBUPYNY-RUZDIDTESA-N 1 0 470.618 2.801 20 0 JFADRO Cc1nnc(N2CCC(N3CCCCC3=O)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001290797556 1062702227 /nfs/dbraw/zinc/70/22/27/1062702227.db2.gz JCXXJCJQKPTFDG-UHFFFAOYSA-N 1 0 454.619 2.947 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287220011 1062703371 /nfs/dbraw/zinc/70/33/71/1062703371.db2.gz QTAKDVJRMVXYSU-DEOSSOPVSA-N 1 0 471.675 2.600 20 0 JFADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCCOC[C@@H]1CCOC1 ZINC001287220368 1062703998 /nfs/dbraw/zinc/70/39/98/1062703998.db2.gz UOGCLFLJYDAVRY-QFIPXVFZSA-N 1 0 462.683 2.840 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290800048 1062704712 /nfs/dbraw/zinc/70/47/12/1062704712.db2.gz BWLRSIDAXRSYQQ-RTBURBONSA-N 1 0 454.619 2.873 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001287220420 1062704702 /nfs/dbraw/zinc/70/47/02/1062704702.db2.gz VZHFUZIZVPHNNX-ZWKOTPCHSA-N 1 0 458.573 2.975 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(=O)NC)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294929115 1062705182 /nfs/dbraw/zinc/70/51/82/1062705182.db2.gz QQRRPVQXDCNSSR-XDHUDOTRSA-N 1 0 458.607 2.655 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001287220665 1062705757 /nfs/dbraw/zinc/70/57/57/1062705757.db2.gz ZAQZLQZNWBAANN-UHFFFAOYSA-N 1 0 459.683 2.658 20 0 JFADRO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001287222255 1062708231 /nfs/dbraw/zinc/70/82/31/1062708231.db2.gz CXOUPZLKSVGNDK-ZWKOTPCHSA-N 1 0 466.677 2.770 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC4(COC(=O)N4)CC3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294933882 1062710223 /nfs/dbraw/zinc/71/02/23/1062710223.db2.gz OYJSQIMZDUFESD-KRWDZBQOSA-N 1 0 472.590 2.771 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287223925 1062710929 /nfs/dbraw/zinc/71/09/29/1062710929.db2.gz PUMHOKSRMNLWNR-QGZVFWFLSA-N 1 0 450.534 2.647 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001287224174 1062711789 /nfs/dbraw/zinc/71/17/89/1062711789.db2.gz UCYKTTWCXMZKFN-LJQANCHMSA-N 1 0 498.598 2.895 20 0 JFADRO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001290820089 1062714952 /nfs/dbraw/zinc/71/49/52/1062714952.db2.gz KTSIDSFYKWMYKN-RPWUZVMVSA-N 1 0 452.599 2.839 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001287231149 1062719737 /nfs/dbraw/zinc/71/97/37/1062719737.db2.gz DIVKLVNGRJPWDH-HKBOAZHASA-N 1 0 496.722 2.604 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001290827537 1062720930 /nfs/dbraw/zinc/72/09/30/1062720930.db2.gz FUKMIVVHKZUJNT-QHCPKHFHSA-N 1 0 467.662 2.507 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287232177 1062722807 /nfs/dbraw/zinc/72/28/07/1062722807.db2.gz NPXQKTKHFCLGGU-WOJBJXKFSA-N 1 0 474.675 2.989 20 0 JFADRO Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CCCCCCC[NH+]1CCCC1 ZINC001290832501 1062724677 /nfs/dbraw/zinc/72/46/77/1062724677.db2.gz NDXFQOWXOFOVNX-NRFANRHFSA-N 1 0 452.669 2.637 20 0 JFADRO Cc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001290833023 1062725449 /nfs/dbraw/zinc/72/54/49/1062725449.db2.gz IAWHBDRIBOJXIO-WOJBJXKFSA-N 1 0 453.509 2.749 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294940993 1062727311 /nfs/dbraw/zinc/72/73/11/1062727311.db2.gz VXSKXKLXWYYBQR-MJGOQNOKSA-N 1 0 456.591 2.504 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@]4(C)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294941287 1062728037 /nfs/dbraw/zinc/72/80/37/1062728037.db2.gz YTVMJEMAGMYBCA-MZNJEOGPSA-N 1 0 472.590 2.724 20 0 JFADRO Cc1nnc(N2CCC[C@H]2[C@H]2CCCO2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837735 1062728147 /nfs/dbraw/zinc/72/81/47/1062728147.db2.gz KMCSRVBFLNFABE-VQTJNVASSA-N 1 0 450.628 2.971 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCOCC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1OC ZINC001294944919 1062729403 /nfs/dbraw/zinc/72/94/03/1062729403.db2.gz AYUUOPWDUUVQHW-UHFFFAOYSA-N 1 0 473.618 2.814 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841655 1062730496 /nfs/dbraw/zinc/73/04/96/1062730496.db2.gz QSTMOIKOKMZXQY-FPOVZHCZSA-N 1 0 452.555 2.941 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841656 1062730586 /nfs/dbraw/zinc/73/05/86/1062730586.db2.gz QSTMOIKOKMZXQY-PZJWPPBQSA-N 1 0 452.555 2.941 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCSC[C@H]3C)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294948450 1062734043 /nfs/dbraw/zinc/73/40/43/1062734043.db2.gz ZPAKUBPKEXVLBS-HXOBKFHXSA-N 1 0 461.632 2.751 20 0 JFADRO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001290847884 1062734195 /nfs/dbraw/zinc/73/41/95/1062734195.db2.gz JAJWOCHADKXKJS-XMMPIXPASA-N 1 0 451.546 2.740 20 0 JFADRO CCCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)cn1 ZINC001294948510 1062734654 /nfs/dbraw/zinc/73/46/54/1062734654.db2.gz NOCDVDIQSSMVRI-UHFFFAOYSA-N 1 0 455.607 2.524 20 0 JFADRO CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCCC3)CC2)cn1 ZINC001294948949 1062735119 /nfs/dbraw/zinc/73/51/19/1062735119.db2.gz QBFNGCXSVZYLPG-UHFFFAOYSA-N 1 0 455.607 2.713 20 0 JFADRO Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001290853016 1062737998 /nfs/dbraw/zinc/73/79/98/1062737998.db2.gz UKONINRUMSPEFS-JOCHJYFZSA-N 1 0 497.644 2.919 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287262055 1062737972 /nfs/dbraw/zinc/73/79/72/1062737972.db2.gz LEHZEFBXWKPWQS-IFMALSPDSA-N 1 0 454.619 2.895 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287270730 1062744917 /nfs/dbraw/zinc/74/49/17/1062744917.db2.gz DELMTDFWIXWBHR-IBGZPJMESA-N 1 0 473.691 2.778 20 0 JFADRO CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001287271393 1062745014 /nfs/dbraw/zinc/74/50/14/1062745014.db2.gz OMYPHMGPUUPKOA-UHFFFAOYSA-N 1 0 474.675 2.989 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290866959 1062749373 /nfs/dbraw/zinc/74/93/73/1062749373.db2.gz GKYVQAMDDCXTBJ-UHFFFAOYSA-N 1 0 467.662 2.632 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001287274672 1062751140 /nfs/dbraw/zinc/75/11/40/1062751140.db2.gz UYVQPPUXRMFFPB-QHCPKHFHSA-N 1 0 484.645 2.558 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290868454 1062751568 /nfs/dbraw/zinc/75/15/68/1062751568.db2.gz YIJFJKHYONVYGR-VSKRKVRLSA-N 1 0 473.710 2.724 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290869613 1062753811 /nfs/dbraw/zinc/75/38/11/1062753811.db2.gz KFFZOYKJCKIXFJ-FCEUIQTBSA-N 1 0 459.683 2.524 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290869616 1062753938 /nfs/dbraw/zinc/75/39/38/1062753938.db2.gz KFFZOYKJCKIXFJ-NNWRFLSQSA-N 1 0 459.683 2.524 20 0 JFADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC001294973745 1062757591 /nfs/dbraw/zinc/75/75/91/1062757591.db2.gz LTLJZNUKYZTNKI-NBGIEHNGSA-N 1 0 459.587 2.855 20 0 JFADRO Cc1nnc(N2CCN(CC(F)(F)F)[C@H](C)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290872046 1062758015 /nfs/dbraw/zinc/75/80/15/1062758015.db2.gz PXVVLBCUIQEUGV-RTBURBONSA-N 1 0 465.568 2.870 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290872342 1062758065 /nfs/dbraw/zinc/75/80/65/1062758065.db2.gz ZFNXRXPBJRCKIS-FYYLOGMGSA-N 1 0 470.643 2.513 20 0 JFADRO Cc1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001290873673 1062759085 /nfs/dbraw/zinc/75/90/85/1062759085.db2.gz HKSKGJJJJLGJEW-UHFFFAOYSA-N 1 0 452.607 2.676 20 0 JFADRO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1I ZINC001294974465 1062759027 /nfs/dbraw/zinc/75/90/27/1062759027.db2.gz YCTWSDZBUYBQLQ-UHFFFAOYSA-N 1 0 454.312 2.779 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001290875913 1062760166 /nfs/dbraw/zinc/76/01/66/1062760166.db2.gz HJGUADRPUYBCCU-VNXZQDSDSA-N 1 0 462.683 2.802 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287286695 1062760564 /nfs/dbraw/zinc/76/05/64/1062760564.db2.gz IGJBGCWMSWAXOX-AABGKKOBSA-N 1 0 469.721 2.878 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287286715 1062760607 /nfs/dbraw/zinc/76/06/07/1062760607.db2.gz IGJBGCWMSWAXOX-ZCNNSNEGSA-N 1 0 469.721 2.878 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)CCO1 ZINC001287287449 1062761630 /nfs/dbraw/zinc/76/16/30/1062761630.db2.gz MUPMGKRUKRRLPG-ACRUOGEOSA-N 1 0 492.665 2.932 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1nc(C(C)(C)C)cs1 ZINC001290877423 1062762614 /nfs/dbraw/zinc/76/26/14/1062762614.db2.gz WBPYEOGDKMFRGC-IBGZPJMESA-N 1 0 461.680 2.620 20 0 JFADRO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001290886869 1062765556 /nfs/dbraw/zinc/76/55/56/1062765556.db2.gz CPQJUUJFZGJAAA-PKTZIBPZSA-N 1 0 484.645 2.881 20 0 JFADRO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001290886868 1062765702 /nfs/dbraw/zinc/76/57/02/1062765702.db2.gz CPQJUUJFZGJAAA-GOTSBHOMSA-N 1 0 484.645 2.881 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001287295319 1062766446 /nfs/dbraw/zinc/76/64/46/1062766446.db2.gz ABQFIQLYSLXNPQ-QFIPXVFZSA-N 1 0 457.619 2.872 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC[NH+](C)C)CCS1 ZINC001287295982 1062768518 /nfs/dbraw/zinc/76/85/18/1062768518.db2.gz NYTMGEYGSRNXBU-FQEVSTJZSA-N 1 0 457.648 2.673 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC001287296171 1062769017 /nfs/dbraw/zinc/76/90/17/1062769017.db2.gz RBCAGNLINVZSQH-NHCUHLMSSA-N 1 0 458.582 2.704 20 0 JFADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)cc2)C1 ZINC001290891792 1062769028 /nfs/dbraw/zinc/76/90/28/1062769028.db2.gz PCZAZOFWUPKXPO-FQEVSTJZSA-N 1 0 451.567 2.918 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001287298452 1062770595 /nfs/dbraw/zinc/77/05/95/1062770595.db2.gz BXLBATFBNGEDMN-DXBBTUNJSA-N 1 0 463.667 2.905 20 0 JFADRO CCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294985772 1062771985 /nfs/dbraw/zinc/77/19/85/1062771985.db2.gz WKAZOBJTKBCZNY-PZJWPPBQSA-N 1 0 458.607 2.561 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001294986227 1062773038 /nfs/dbraw/zinc/77/30/38/1062773038.db2.gz DTFOXXBNJPAKAX-AUSIDOKSSA-N 1 0 464.680 2.737 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC001294988712 1062776924 /nfs/dbraw/zinc/77/69/24/1062776924.db2.gz ANZDVBOAJIPRNF-QUCCMNQESA-N 1 0 455.521 2.966 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001295001417 1062787276 /nfs/dbraw/zinc/78/72/76/1062787276.db2.gz ABCZALMTAQVMTP-WOJBJXKFSA-N 1 0 455.669 2.696 20 0 JFADRO Cc1noc(C)c1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001290915035 1062789601 /nfs/dbraw/zinc/78/96/01/1062789601.db2.gz UMAORUTZBZCLTE-UHFFFAOYSA-N 1 0 472.615 2.727 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+](C)C ZINC001287318487 1062789689 /nfs/dbraw/zinc/78/96/89/1062789689.db2.gz BTXPYEVYZOZZQW-FQEVSTJZSA-N 1 0 491.644 2.925 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287319773 1062792918 /nfs/dbraw/zinc/79/29/18/1062792918.db2.gz OCQVIJPPBIJAIL-OAQYLSRUSA-N 1 0 492.628 2.934 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001295007291 1062794454 /nfs/dbraw/zinc/79/44/54/1062794454.db2.gz SMVABEXVHIYFML-QHCPKHFHSA-N 1 0 456.635 2.896 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001290920190 1062795250 /nfs/dbraw/zinc/79/52/50/1062795250.db2.gz FJMHNNPRPGABKT-ZRBLBEILSA-N 1 0 456.631 2.943 20 0 JFADRO CCc1c(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)nnn1Cc1ccc(F)cc1 ZINC001290920333 1062795924 /nfs/dbraw/zinc/79/59/24/1062795924.db2.gz HOVQHJISTXWYMI-UHFFFAOYSA-N 1 0 450.562 2.705 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295009576 1062797931 /nfs/dbraw/zinc/79/79/31/1062797931.db2.gz XTMWMEJVLULNIX-CJFMBICVSA-N 1 0 473.618 2.718 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+](C)C ZINC001287322133 1062799861 /nfs/dbraw/zinc/79/98/61/1062799861.db2.gz NKMOFKNSEXCWGX-YWZLYKJASA-N 1 0 466.428 2.714 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287322928 1062800722 /nfs/dbraw/zinc/80/07/22/1062800722.db2.gz SVUIDDVIUUCRBC-GHTZIAJQSA-N 1 0 492.690 2.954 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001287323268 1062800855 /nfs/dbraw/zinc/80/08/55/1062800855.db2.gz VIIVURISXAUYLC-KRWDZBQOSA-N 1 0 450.534 2.849 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001295013260 1062801819 /nfs/dbraw/zinc/80/18/19/1062801819.db2.gz BTURYSFUSTVKRI-UHFFFAOYSA-N 1 0 468.712 2.996 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328397 1062802181 /nfs/dbraw/zinc/80/21/81/1062802181.db2.gz GYDKAELDEWZDDH-BVZFJXPGSA-N 1 0 485.608 2.875 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328725 1062803733 /nfs/dbraw/zinc/80/37/33/1062803733.db2.gz LEZFTWGQHOHMBK-XZOQPEGZSA-N 1 0 498.720 2.783 20 0 JFADRO CCCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001295014712 1062804921 /nfs/dbraw/zinc/80/49/21/1062804921.db2.gz KNGDKMUKBKRUET-FQEVSTJZSA-N 1 0 454.619 2.906 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001295015096 1062806570 /nfs/dbraw/zinc/80/65/70/1062806570.db2.gz LSZHRDDKYVPUNM-RTBURBONSA-N 1 0 466.696 2.822 20 0 JFADRO CC(C)C[C@@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001287330944 1062807573 /nfs/dbraw/zinc/80/75/73/1062807573.db2.gz NMORXGQFPIQEJU-NRFANRHFSA-N 1 0 499.708 2.779 20 0 JFADRO CC(C)C[C@H](Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+](C)C ZINC001287330945 1062807601 /nfs/dbraw/zinc/80/76/01/1062807601.db2.gz NMORXGQFPIQEJU-OAQYLSRUSA-N 1 0 499.708 2.779 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C(C)C)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001295015496 1062808333 /nfs/dbraw/zinc/80/83/33/1062808333.db2.gz UHUDFJGNRXCJGW-UHFFFAOYSA-N 1 0 454.685 2.822 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001287331371 1062808758 /nfs/dbraw/zinc/80/87/58/1062808758.db2.gz GDCNRDUYQMDFND-NNWRFLSQSA-N 1 0 496.722 2.589 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+](C)C ZINC001287331609 1062809312 /nfs/dbraw/zinc/80/93/12/1062809312.db2.gz GQJGLOOQHAJIQJ-LJQANCHMSA-N 1 0 453.557 2.925 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001287332926 1062809623 /nfs/dbraw/zinc/80/96/23/1062809623.db2.gz LGCJZXAYIZTEDK-PMACEKPBSA-N 1 0 470.728 2.951 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001287332552 1062809730 /nfs/dbraw/zinc/80/97/30/1062809730.db2.gz KNDLYDJNSQMMSG-UNMCSNQZSA-N 1 0 472.609 2.746 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287332746 1062810202 /nfs/dbraw/zinc/81/02/02/1062810202.db2.gz RMTBKWROQKTGRG-XUVXKRRUSA-N 1 0 491.681 2.947 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1)[NH+](C)C ZINC001287334318 1062811798 /nfs/dbraw/zinc/81/17/98/1062811798.db2.gz QWHKQWOWJXKEOZ-JOCHJYFZSA-N 1 0 451.623 2.748 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001287335403 1062813286 /nfs/dbraw/zinc/81/32/86/1062813286.db2.gz UVPFDNMWSFFLMS-QFIPXVFZSA-N 1 0 476.629 2.598 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1)[NH+](C)C ZINC001287335082 1062813460 /nfs/dbraw/zinc/81/34/60/1062813460.db2.gz ZBJMRNRHZNLYDL-IBGZPJMESA-N 1 0 472.615 2.811 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001287335401 1062813508 /nfs/dbraw/zinc/81/35/08/1062813508.db2.gz UVPFDNMWSFFLMS-JOCHJYFZSA-N 1 0 476.629 2.598 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001287338012 1062815158 /nfs/dbraw/zinc/81/51/58/1062815158.db2.gz ANZADMBCPLOLJY-SLSDLSHTSA-N 1 0 489.665 2.606 20 0 JFADRO CC(C)C[C@H](Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287338457 1062815627 /nfs/dbraw/zinc/81/56/27/1062815627.db2.gz HZUKVRXVGPDVRT-JTHBVZDNSA-N 1 0 473.710 2.730 20 0 JFADRO CC(C)C[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001287339059 1062816559 /nfs/dbraw/zinc/81/65/59/1062816559.db2.gz RIHBYZGHTMRXKD-FCHUYYIVSA-N 1 0 480.723 2.991 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C2)n1 ZINC001290943788 1062816955 /nfs/dbraw/zinc/81/69/55/1062816955.db2.gz LTDHTKFQULABBW-GOSISDBHSA-N 1 0 458.611 2.614 20 0 JFADRO Cc1noc(C2(C)CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001290943398 1062817173 /nfs/dbraw/zinc/81/71/73/1062817173.db2.gz KPZYWPMJSONOCT-IBGZPJMESA-N 1 0 472.638 2.988 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295018518 1062818342 /nfs/dbraw/zinc/81/83/42/1062818342.db2.gz YQWGYNYPVPTDEO-UHFFFAOYSA-N 1 0 476.622 2.644 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)C2)n1 ZINC001290944806 1062819725 /nfs/dbraw/zinc/81/97/25/1062819725.db2.gz YPVOYKTXZGRDHG-QUCCMNQESA-N 1 0 484.580 2.934 20 0 JFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC001295020227 1062820109 /nfs/dbraw/zinc/82/01/09/1062820109.db2.gz QUYDUKMCXXTZBG-FGZHOGPDSA-N 1 0 451.633 2.523 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290945158 1062820183 /nfs/dbraw/zinc/82/01/83/1062820183.db2.gz FUEMUGYYTJBBOU-IBGZPJMESA-N 1 0 458.611 2.595 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001287345928 1062821293 /nfs/dbraw/zinc/82/12/93/1062821293.db2.gz CZCFBTZJCBIWPB-LJQANCHMSA-N 1 0 477.675 2.924 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3CC[N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC001290946781 1062823154 /nfs/dbraw/zinc/82/31/54/1062823154.db2.gz WJABPZCGXKSQOI-UHFFFAOYSA-N 1 0 484.580 2.763 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001287352695 1062824470 /nfs/dbraw/zinc/82/44/70/1062824470.db2.gz PRCFTJFKCCWRNJ-YADHBBJMSA-N 1 0 470.666 2.873 20 0 JFADRO CC(C)[NH+]1CCC(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 ZINC001287371902 1062832529 /nfs/dbraw/zinc/83/25/29/1062832529.db2.gz SKQDPHQAIWQBMG-UHFFFAOYSA-N 1 0 450.649 2.777 20 0 JFADRO CC(C)Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287373075 1062832562 /nfs/dbraw/zinc/83/25/62/1062832562.db2.gz VAXRZLSSWIUKFA-NHCUHLMSSA-N 1 0 484.645 2.696 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295040604 1062838369 /nfs/dbraw/zinc/83/83/69/1062838369.db2.gz WLBKNMWHFQZHDX-SFHVURJKSA-N 1 0 477.654 2.690 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295040526 1062838445 /nfs/dbraw/zinc/83/84/45/1062838445.db2.gz TYAYCIGNBJMRBB-RUZDIDTESA-N 1 0 485.633 2.633 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287396358 1062841086 /nfs/dbraw/zinc/84/10/86/1062841086.db2.gz PIMFIZDBIVPXPC-UHFFFAOYSA-N 1 0 498.672 2.541 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@]1(C)CCCO1 ZINC001287397716 1062842113 /nfs/dbraw/zinc/84/21/13/1062842113.db2.gz CFHCWJNCGSPBRJ-VWLOTQADSA-N 1 0 460.667 2.864 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287398473 1062843932 /nfs/dbraw/zinc/84/39/32/1062843932.db2.gz RXLVPPRKMCNXBK-UTKZUKDTSA-N 1 0 461.573 2.975 20 0 JFADRO Cc1cc(CN2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290970418 1062844587 /nfs/dbraw/zinc/84/45/87/1062844587.db2.gz QUCNZWQIHCWINA-LEWJYISDSA-N 1 0 459.639 2.767 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287403684 1062846833 /nfs/dbraw/zinc/84/68/33/1062846833.db2.gz PPIRSETWYOWEFZ-RIEVBORMSA-N 1 0 473.666 2.802 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1CCNS(C)(=O)=O ZINC001287410657 1062849833 /nfs/dbraw/zinc/84/98/33/1062849833.db2.gz HOQLFGALQVNMJW-IBGZPJMESA-N 1 0 454.685 2.507 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(C(C)(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)n1 ZINC001290972964 1062850689 /nfs/dbraw/zinc/85/06/89/1062850689.db2.gz LOGCPJCARDYGAV-NRFANRHFSA-N 1 0 464.709 2.890 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)CC2)n1 ZINC001290973173 1062851289 /nfs/dbraw/zinc/85/12/89/1062851289.db2.gz SRXOXVCATBHASZ-UHFFFAOYSA-N 1 0 470.647 2.646 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)N1CCOCC1 ZINC001287413832 1062852776 /nfs/dbraw/zinc/85/27/76/1062852776.db2.gz OVKXDPMJRQAFAV-FDFHNCONSA-N 1 0 462.683 2.523 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001287414691 1062854445 /nfs/dbraw/zinc/85/44/45/1062854445.db2.gz SCRFTCQLIZRETO-HXUWFJFHSA-N 1 0 468.712 2.849 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCNC(=O)c1cccs1 ZINC001287417620 1062854747 /nfs/dbraw/zinc/85/47/47/1062854747.db2.gz BSNYYLDHOSVLOV-HXUWFJFHSA-N 1 0 473.691 2.573 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@](C)(O)c1ccccc1 ZINC001287417637 1062855867 /nfs/dbraw/zinc/85/58/67/1062855867.db2.gz CEQSBWPIZCTAHU-OZXSUGGESA-N 1 0 454.663 2.989 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C1CC1)[NH+](C)C ZINC001290976286 1062856227 /nfs/dbraw/zinc/85/62/27/1062856227.db2.gz PPPXSPGRSCFPKN-FZKQIMNGSA-N 1 0 479.398 2.854 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001287418750 1062857435 /nfs/dbraw/zinc/85/74/35/1062857435.db2.gz VOASEXLLLKSAMH-VWLOTQADSA-N 1 0 458.651 2.972 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(=O)NC1CCCCC1 ZINC001287419039 1062857847 /nfs/dbraw/zinc/85/78/47/1062857847.db2.gz XMLVCGLZWWXILO-UHFFFAOYSA-N 1 0 473.710 2.920 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001290976963 1062859230 /nfs/dbraw/zinc/85/92/30/1062859230.db2.gz WNBPOHUITAVBIX-MRXNPFEDSA-N 1 0 471.968 2.932 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001295057467 1062864333 /nfs/dbraw/zinc/86/43/33/1062864333.db2.gz BSVCGGLICSZWEX-MAUKXSAKSA-N 1 0 461.408 2.859 20 0 JFADRO CC(C)Cc1nnc(N2CCC3(COC(=O)N3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287427777 1062867499 /nfs/dbraw/zinc/86/74/99/1062867499.db2.gz TXANJTJVKRGWCM-UHFFFAOYSA-N 1 0 456.591 2.544 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@H](c1ccco1)[NH+](C)C ZINC001290984887 1062869955 /nfs/dbraw/zinc/86/99/55/1062869955.db2.gz BVXGMVDHHKXZGU-SJLPKXTDSA-N 1 0 456.522 2.559 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001287442029 1062874127 /nfs/dbraw/zinc/87/41/27/1062874127.db2.gz ASRAQOVWTGSSDN-RTWAWAEBSA-N 1 0 468.712 2.706 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001287448553 1062884275 /nfs/dbraw/zinc/88/42/75/1062884275.db2.gz DMQDNIMWMUUFEW-OAQYLSRUSA-N 1 0 459.660 2.589 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290990731 1062884534 /nfs/dbraw/zinc/88/45/34/1062884534.db2.gz VVPGVJOJBMBOAP-ZDQHKECQSA-N 1 0 476.666 2.557 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001295066084 1062884579 /nfs/dbraw/zinc/88/45/79/1062884579.db2.gz OFRQNIXQBVKYQI-KRWDZBQOSA-N 1 0 491.434 2.869 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001287448853 1062885392 /nfs/dbraw/zinc/88/53/92/1062885392.db2.gz XSUMVCNQZGXTGH-VXKWHMMOSA-N 1 0 492.665 2.923 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001290996266 1062887894 /nfs/dbraw/zinc/88/78/94/1062887894.db2.gz CLVLCJLZHPMBGV-SFHLNBCPSA-N 1 0 487.693 2.727 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290996758 1062888774 /nfs/dbraw/zinc/88/87/74/1062888774.db2.gz KKVAIZQBNYIZNP-QZTJIDSGSA-N 1 0 487.649 2.723 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001290997435 1062889312 /nfs/dbraw/zinc/88/93/12/1062889312.db2.gz LVJSTWJMCBMKOV-NSHGMRRFSA-N 1 0 460.648 2.720 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001290997437 1062889386 /nfs/dbraw/zinc/88/93/86/1062889386.db2.gz LVJSTWJMCBMKOV-QWFCFKBJSA-N 1 0 460.648 2.720 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001290997439 1062890046 /nfs/dbraw/zinc/89/00/46/1062890046.db2.gz LVJSTWJMCBMKOV-WSTZPKSXSA-N 1 0 460.648 2.720 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001290998193 1062890808 /nfs/dbraw/zinc/89/08/08/1062890808.db2.gz GMPUBCZFIMQMIA-SFHLNBCPSA-N 1 0 496.722 2.746 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290998281 1062891738 /nfs/dbraw/zinc/89/17/38/1062891738.db2.gz OSJCCQJZMXIKNN-GUDVDZBRSA-N 1 0 464.680 2.909 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290999166 1062892963 /nfs/dbraw/zinc/89/29/63/1062892963.db2.gz RFZOXYRLKPLCLV-RTBURBONSA-N 1 0 458.655 2.644 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001290999222 1062893868 /nfs/dbraw/zinc/89/38/68/1062893868.db2.gz JPZAUTKRVYDSAR-PMACEKPBSA-N 1 0 495.672 2.892 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001287456905 1062895178 /nfs/dbraw/zinc/89/51/78/1062895178.db2.gz MPLRINSVEBBRRJ-UHFFFAOYSA-N 1 0 494.731 2.922 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001291000595 1062895994 /nfs/dbraw/zinc/89/59/94/1062895994.db2.gz VQXZOERDKZBWQY-GUDVDZBRSA-N 1 0 467.680 2.552 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291001498 1062896794 /nfs/dbraw/zinc/89/67/94/1062896794.db2.gz REUAIJDSZCFDID-KURKYZTESA-N 1 0 489.690 2.726 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291001493 1062896867 /nfs/dbraw/zinc/89/68/67/1062896867.db2.gz REUAIJDSZCFDID-KSZLIROESA-N 1 0 489.690 2.726 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001291005771 1062900223 /nfs/dbraw/zinc/90/02/23/1062900223.db2.gz BJCHJMQWTQKDSL-HBMCJLEFSA-N 1 0 484.711 2.602 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287461942 1062901085 /nfs/dbraw/zinc/90/10/85/1062901085.db2.gz GLISKVJIJFXPPV-BGYRXZFFSA-N 1 0 458.607 2.531 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCOc1ccccc1 ZINC001287462203 1062901182 /nfs/dbraw/zinc/90/11/82/1062901182.db2.gz JUEBDHYZUKLICH-JOCHJYFZSA-N 1 0 454.619 2.689 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001295078039 1062904914 /nfs/dbraw/zinc/90/49/14/1062904914.db2.gz BDLYURXOGKQDTK-UHFFFAOYSA-N 1 0 458.657 2.835 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291009427 1062906304 /nfs/dbraw/zinc/90/63/04/1062906304.db2.gz FYMXJKSJISQMIF-HBMCJLEFSA-N 1 0 496.722 2.796 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCCC3)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291009428 1062906352 /nfs/dbraw/zinc/90/63/52/1062906352.db2.gz FYMXJKSJISQMIF-NJDAHSKKSA-N 1 0 496.722 2.796 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3ccccc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001291009594 1062907070 /nfs/dbraw/zinc/90/70/70/1062907070.db2.gz IIDHFLODWSZAEC-FGZHOGPDSA-N 1 0 468.646 2.998 20 0 JFADRO CCN(C)C(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001295078746 1062907219 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1062915179 /nfs/dbraw/zinc/91/51/79/1062915179.db2.gz SJXDOIGDMKJZDA-DYQZNNLLSA-N 1 0 496.722 2.509 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCC[C@@H]32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012121 1062915665 /nfs/dbraw/zinc/91/56/65/1062915665.db2.gz UUVHJJCBJZAKSA-YHDCXSKOSA-N 1 0 452.669 2.635 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3c[nH]c4ccccc34)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001291013210 1062919449 /nfs/dbraw/zinc/91/94/49/1062919449.db2.gz KBZMUUVUGPTGBL-KDURUIRLSA-N 1 0 487.674 2.780 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cccn3C)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001291013434 1062920080 /nfs/dbraw/zinc/92/00/80/1062920080.db2.gz NGUYXHFMTYRLSN-OALUTQOASA-N 1 0 450.653 2.523 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287471674 1062920263 /nfs/dbraw/zinc/92/02/63/1062920263.db2.gz NHHHKLALCJUSLL-HXUWFJFHSA-N 1 0 462.042 2.698 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013614 1062921114 /nfs/dbraw/zinc/92/11/14/1062921114.db2.gz PJWDCULWRZTYTO-ZGXWSNOMSA-N 1 0 455.669 2.757 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC001291013784 1062921573 /nfs/dbraw/zinc/92/15/73/1062921573.db2.gz RQYQKPXGCJYZQW-QGLKVJOYSA-N 1 0 469.696 2.798 20 0 JFADRO CCN(C)C(=O)Cn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085489 1062922336 /nfs/dbraw/zinc/92/23/36/1062922336.db2.gz XVCDXMSTSGSRPY-NVQXNPDNSA-N 1 0 484.645 2.508 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291013917 1062922448 /nfs/dbraw/zinc/92/24/48/1062922448.db2.gz UUEQNGPPSZKNEJ-IRXDYDNUSA-N 1 0 467.039 2.596 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291014075 1062922476 /nfs/dbraw/zinc/92/24/76/1062922476.db2.gz XGMHPNKZGDJIRR-KDURUIRLSA-N 1 0 462.602 2.838 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287472318 1062922435 /nfs/dbraw/zinc/92/24/35/1062922435.db2.gz XUTKAUWEXJBUOB-UHFFFAOYSA-N 1 0 462.042 2.698 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001287472222 1062922715 /nfs/dbraw/zinc/92/27/15/1062922715.db2.gz VHETUSDGGSRDSS-OAQYLSRUSA-N 1 0 482.677 2.952 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291014145 1062923015 /nfs/dbraw/zinc/92/30/15/1062923015.db2.gz XZWQJJNUFSGDHC-HSALFYBXSA-N 1 0 454.610 2.927 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(Cc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001291014391 1062923677 /nfs/dbraw/zinc/92/36/77/1062923677.db2.gz CFHXHPDGIOPNRW-OALUTQOASA-N 1 0 465.639 2.857 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001291015706 1062926850 /nfs/dbraw/zinc/92/68/50/1062926850.db2.gz VGXYAOYQISZPOH-WSTZPKSXSA-N 1 0 465.689 2.922 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001287476683 1062931052 /nfs/dbraw/zinc/93/10/52/1062931052.db2.gz NPARBSAIDGNIDK-UHFFFAOYSA-N 1 0 473.710 2.874 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC(=O)NC1CCCCC1 ZINC001287476667 1062931073 /nfs/dbraw/zinc/93/10/73/1062931073.db2.gz NCPDILPGDJAQPK-UHFFFAOYSA-N 1 0 473.710 2.920 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001287476725 1062931575 /nfs/dbraw/zinc/93/15/75/1062931575.db2.gz NRQTTYFWCMHUDP-UHFFFAOYSA-N 1 0 460.667 2.816 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001291018435 1062932184 /nfs/dbraw/zinc/93/21/84/1062932184.db2.gz GIXMLXSBEABKNE-KRXUUXHPSA-N 1 0 454.619 2.783 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001287477447 1062934643 /nfs/dbraw/zinc/93/46/43/1062934643.db2.gz YKVYORLUSKILGD-UHFFFAOYSA-N 1 0 481.689 2.743 20 0 JFADRO CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295114076 1062935272 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/nfs/dbraw/zinc/99/74/69/1062997469.db2.gz NNKZFDCZWHTDSO-VKVWAMRISA-N 1 0 466.696 2.664 20 0 JFADRO CC(C)[C@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291061670 1062998135 /nfs/dbraw/zinc/99/81/35/1062998135.db2.gz UQIFDZIFQIUTHE-MYKCNMGISA-N 1 0 496.722 2.650 20 0 JFADRO CC(C)[C@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291061672 1062998210 /nfs/dbraw/zinc/99/82/10/1062998210.db2.gz UQIFDZIFQIUTHE-ZHGPVEJGSA-N 1 0 496.722 2.650 20 0 JFADRO CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC001291061945 1062998806 /nfs/dbraw/zinc/99/88/06/1062998806.db2.gz FFAQJPCANSUIHI-KOENEWCDSA-N 1 0 494.750 3.000 20 0 JFADRO CCN(c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295175701 1062999740 /nfs/dbraw/zinc/99/97/40/1062999740.db2.gz MZFXJHHRJLVOSZ-MOPGFXCFSA-N 1 0 477.631 2.664 20 0 JFADRO CC(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287606517 1063002783 /nfs/dbraw/zinc/00/27/83/1063002783.db2.gz QDFNFRFTVYNXRL-FQEVSTJZSA-N 1 0 461.632 2.696 20 0 JFADRO CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287620908 1063006192 /nfs/dbraw/zinc/00/61/92/1063006192.db2.gz PINRCBSTHYYZOM-RTWAWAEBSA-N 1 0 492.665 2.791 20 0 JFADRO CC(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287620909 1063006374 /nfs/dbraw/zinc/00/63/74/1063006374.db2.gz PINRCBSTHYYZOM-SFTDATJTSA-N 1 0 492.665 2.791 20 0 JFADRO CC[NH+](CC)CCN(C(=O)Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC001295183715 1063007143 /nfs/dbraw/zinc/00/71/43/1063007143.db2.gz LHPIYUWPSDGOGJ-KRWDZBQOSA-N 1 0 450.523 2.528 20 0 JFADRO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001287625007 1063008209 /nfs/dbraw/zinc/00/82/09/1063008209.db2.gz WMGRSSHTRSDCNV-QGZVFWFLSA-N 1 0 452.393 2.619 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001287627494 1063008235 /nfs/dbraw/zinc/00/82/35/1063008235.db2.gz AREYEWUTVPRFNZ-SANMLTNESA-N 1 0 490.693 2.949 20 0 JFADRO CC[NH+](CC)CCN(C(=O)Cc1coc(-c2ccc(Cl)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001295185223 1063008830 /nfs/dbraw/zinc/00/88/30/1063008830.db2.gz XJZVKCFHIPTVIL-LJQANCHMSA-N 1 0 453.992 2.895 20 0 JFADRO C[C@H](N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291065706 1063010740 /nfs/dbraw/zinc/01/07/40/1063010740.db2.gz FJSUOXVWZYWGMN-FOUBCARRSA-N 1 0 485.599 2.813 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001291065593 1063010764 /nfs/dbraw/zinc/01/07/64/1063010764.db2.gz DCMVHCMLUMVPNG-XDHUDOTRSA-N 1 0 455.607 2.590 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291065592 1063010788 /nfs/dbraw/zinc/01/07/88/1063010788.db2.gz DCMVHCMLUMVPNG-OSPHWJPCSA-N 1 0 455.607 2.590 20 0 JFADRO C[C@@H](N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1)C(F)(F)F ZINC001291065709 1063011140 /nfs/dbraw/zinc/01/11/40/1063011140.db2.gz FJSUOXVWZYWGMN-QLDGJZPUSA-N 1 0 485.599 2.813 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291066033 1063011447 /nfs/dbraw/zinc/01/14/47/1063011447.db2.gz ITTDDLFZTSIJQY-NLFFAJNJSA-N 1 0 468.650 2.648 20 0 JFADRO C[C@@H]1CCC[C@](Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC001291065965 1063011619 /nfs/dbraw/zinc/01/16/19/1063011619.db2.gz HVXAAURTTAXDEE-VGSWGCGISA-N 1 0 450.582 2.576 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291066597 1063012858 /nfs/dbraw/zinc/01/28/58/1063012858.db2.gz POXJIRVIEJCZFM-UZEJHQAJSA-N 1 0 470.618 2.927 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291066678 1063012982 /nfs/dbraw/zinc/01/29/82/1063012982.db2.gz QQXHCHQZHQSLQE-JXOCDABTSA-N 1 0 452.669 2.635 20 0 JFADRO C[C@@H]1CCC[C@](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)([NH+](C)C)C1 ZINC001291067075 1063013003 /nfs/dbraw/zinc/01/30/03/1063013003.db2.gz WKCQBLYDUSDZLL-BBRCJUOPSA-N 1 0 489.665 2.843 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccn2)([NH+](C)C)C1 ZINC001291067401 1063013725 /nfs/dbraw/zinc/01/37/25/1063013725.db2.gz AMCCNCSKTWXQBE-SELNLUPBSA-N 1 0 460.648 2.722 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291067216 1063013905 /nfs/dbraw/zinc/01/39/05/1063013905.db2.gz YELFWWURGMWQSR-YPCDYVTLSA-N 1 0 489.709 2.915 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CC(N)=O)C2)([NH+](C)C)C1 ZINC001291067583 1063014358 /nfs/dbraw/zinc/01/43/58/1063014358.db2.gz CDBGBQJGNUIWGE-FZOAFFARSA-N 1 0 453.635 2.866 20 0 JFADRO CCN(c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCCC[NH+]1CCOCC1)C(C)C ZINC001295194971 1063015090 /nfs/dbraw/zinc/01/50/90/1063015090.db2.gz GCXQDRFVPIASQG-UHFFFAOYSA-N 1 0 453.591 2.539 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291068012 1063015358 /nfs/dbraw/zinc/01/53/58/1063015358.db2.gz ICGYGMOBVSXILV-UGVAJALESA-N 1 0 455.669 2.550 20 0 JFADRO C[C@@H]1CCC[C@@](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCCCC2)([NH+](C)C)C1 ZINC001291068683 1063016728 /nfs/dbraw/zinc/01/67/28/1063016728.db2.gz QVMXULZGSKARNT-NHCICSSKSA-N 1 0 496.722 2.890 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N(C)CCN3CCOCC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291068772 1063016960 /nfs/dbraw/zinc/01/69/60/1063016960.db2.gz RXPQGRRQRGDKPV-RZFJZAQRSA-N 1 0 492.709 2.598 20 0 JFADRO CC(C)CCOC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001287642713 1063019225 /nfs/dbraw/zinc/01/92/25/1063019225.db2.gz AXCIFPUFNMRNLR-IFMALSPDSA-N 1 0 476.666 2.762 20 0 JFADRO C[C@H](Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001291077041 1063027841 /nfs/dbraw/zinc/02/78/41/1063027841.db2.gz WRJYHKBIDNWRDD-NJDAHSKKSA-N 1 0 473.710 2.875 20 0 JFADRO C[C@@H](Cn1c(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)nnc1C(C)(C)C)[N@H+](C)C1CC1 ZINC001291077043 1063027954 /nfs/dbraw/zinc/02/79/54/1063027954.db2.gz WRJYHKBIDNWRDD-QHAWAJNXSA-N 1 0 473.710 2.875 20 0 JFADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCCC1 ZINC001295215318 1063028365 /nfs/dbraw/zinc/02/83/65/1063028365.db2.gz CXPLBKBFPRAXRG-IRLDBZIGSA-N 1 0 496.722 2.748 20 0 JFADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[N@H+](CC(C)C)C1)C1CCCC1 ZINC001295215325 1063028459 /nfs/dbraw/zinc/02/84/59/1063028459.db2.gz CXPLBKBFPRAXRG-UNMCSNQZSA-N 1 0 496.722 2.748 20 0 JFADRO CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC[N@H+](C)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295216162 1063030160 /nfs/dbraw/zinc/03/01/60/1063030160.db2.gz HCQAKIZUEJSADT-WIYYLYMNSA-N 1 0 477.631 2.534 20 0 JFADRO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCC[C@@H](C)C1)C1CCCCC1 ZINC001295216189 1063030539 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/nfs/dbraw/zinc/03/94/88/1063039488.db2.gz PEBANTSWRDKOSI-JOCHJYFZSA-N 1 0 487.693 2.862 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001287695028 1063040589 /nfs/dbraw/zinc/04/05/89/1063040589.db2.gz VCMKSAPGTBGANV-ICSRJNTNSA-N 1 0 458.580 2.506 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC001287693574 1063040802 /nfs/dbraw/zinc/04/08/02/1063040802.db2.gz MXKJLYVKWQJUDE-WBVHZDCISA-N 1 0 455.360 2.923 20 0 JFADRO CC(C)CN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC001287711410 1063045843 /nfs/dbraw/zinc/04/58/43/1063045843.db2.gz IWUXJICTGKNBAX-HSZRJFAPSA-N 1 0 460.648 2.741 20 0 JFADRO CCN(c1nnc(Cc2ccccc2F)n1CC[NH+]1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295226303 1063046466 /nfs/dbraw/zinc/04/64/66/1063046466.db2.gz VOOBQDCNTKFXOR-HXUWFJFHSA-N 1 0 463.623 2.753 20 0 JFADRO CCN(c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001295226656 1063047428 /nfs/dbraw/zinc/04/74/28/1063047428.db2.gz RKEAVBZNOSCKJV-UGKGYDQZSA-N 1 0 498.118 2.973 20 0 JFADRO CC(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001287716490 1063048423 /nfs/dbraw/zinc/04/84/23/1063048423.db2.gz HEZRJYFMRJEFCY-UHFFFAOYSA-N 1 0 485.658 2.802 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291090258 1063049574 /nfs/dbraw/zinc/04/95/74/1063049574.db2.gz SMAGJTYQYPSWQI-MBOZVWFJSA-N 1 0 466.627 2.957 20 0 JFADRO CCN(c1nnc(Cc2ccccn2)n1CC[C@@H](C)[NH+]1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295230380 1063053320 /nfs/dbraw/zinc/05/33/20/1063053320.db2.gz XPLCYJJMXIOPQU-TZIWHRDSSA-N 1 0 460.648 2.542 20 0 JFADRO CC(C)[NH+](CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C(C)C ZINC001291095269 1063054189 /nfs/dbraw/zinc/05/41/89/1063054189.db2.gz ILUXHZYXEHPTNH-QFIPXVFZSA-N 1 0 484.693 2.915 20 0 JFADRO CC(C)CN1C[C@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[NH+]3CCOCC3)CCN2C1=O ZINC001287734140 1063058967 /nfs/dbraw/zinc/05/89/67/1063058967.db2.gz YMPZOJLCKVVCOM-OAQYLSRUSA-N 1 0 475.682 2.561 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC1 ZINC001291096890 1063059145 /nfs/dbraw/zinc/05/91/45/1063059145.db2.gz MLOIGNVNOVBHRR-MJGOQNOKSA-N 1 0 468.593 2.992 20 0 JFADRO CC(C)CN1C[C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCC[NH+]3CCOCC3)CCN2C1=O ZINC001287734139 1063059247 /nfs/dbraw/zinc/05/92/47/1063059247.db2.gz YMPZOJLCKVVCOM-NRFANRHFSA-N 1 0 475.682 2.561 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001291097260 1063059579 /nfs/dbraw/zinc/05/95/79/1063059579.db2.gz RYMKTOSLSWFSRG-GOSISDBHSA-N 1 0 496.081 2.730 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 ZINC001291097315 1063060358 /nfs/dbraw/zinc/06/03/58/1063060358.db2.gz SRBDZSJFSSVSQD-QZTJIDSGSA-N 1 0 466.677 2.928 20 0 JFADRO CCN(c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C)C1CCCC1 ZINC001295240988 1063061000 /nfs/dbraw/zinc/06/10/00/1063061000.db2.gz WBTPCMKTRSCQNM-UHFFFAOYSA-N 1 0 467.662 2.936 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001287738226 1063061015 /nfs/dbraw/zinc/06/10/15/1063061015.db2.gz NUDZPLCVPNFGAH-VQTJNVASSA-N 1 0 475.659 2.942 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC3(CCCCC3)C2)C1 ZINC001287738039 1063061061 /nfs/dbraw/zinc/06/10/61/1063061061.db2.gz MTNAXVAKRLWRQX-NHCUHLMSSA-N 1 0 496.722 2.796 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 ZINC001291098301 1063061600 /nfs/dbraw/zinc/06/16/00/1063061600.db2.gz LKNNWXXGWRKQCI-HXUWFJFHSA-N 1 0 476.666 2.890 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001291098969 1063063675 /nfs/dbraw/zinc/06/36/75/1063063675.db2.gz YVNKULSCCVBUBR-LJQANCHMSA-N 1 0 479.622 2.886 20 0 JFADRO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1=O ZINC001287739821 1063064055 /nfs/dbraw/zinc/06/40/55/1063064055.db2.gz BSWYBXQHPCXRFZ-NRFANRHFSA-N 1 0 497.688 2.998 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001291099200 1063064555 /nfs/dbraw/zinc/06/45/55/1063064555.db2.gz CZGLAJPJGOSDOH-AZUAARDMSA-N 1 0 489.665 2.987 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC001287740570 1063064871 /nfs/dbraw/zinc/06/48/71/1063064871.db2.gz GQZFMPWLGWSCPO-IBGZPJMESA-N 1 0 479.670 2.744 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291099352 1063065478 /nfs/dbraw/zinc/06/54/78/1063065478.db2.gz FNJCEFMSDCRSFF-KRWDZBQOSA-N 1 0 473.622 2.621 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001291100291 1063067909 /nfs/dbraw/zinc/06/79/09/1063067909.db2.gz XIXNNLFNAIRCMS-AQNXPRMDSA-N 1 0 462.664 2.786 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291100506 1063068225 /nfs/dbraw/zinc/06/82/25/1063068225.db2.gz BPPWYVYSYUHHQJ-IBGZPJMESA-N 1 0 496.660 2.918 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291100948 1063069891 /nfs/dbraw/zinc/06/98/91/1063069891.db2.gz KOIGLPZRWCMANA-MIOZMULLSA-N 1 0 476.666 2.700 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291100949 1063069967 /nfs/dbraw/zinc/06/99/67/1063069967.db2.gz KOIGLPZRWCMANA-XZWCOCNFSA-N 1 0 476.666 2.700 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001291101318 1063071719 /nfs/dbraw/zinc/07/17/19/1063071719.db2.gz QQNXZSMKLWKPGG-IBGZPJMESA-N 1 0 490.697 2.557 20 0 JFADRO CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295256582 1063072421 /nfs/dbraw/zinc/07/24/21/1063072421.db2.gz NTNVDWVMTJWUFT-ICSRJNTNSA-N 1 0 479.622 2.742 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001291102151 1063074967 /nfs/dbraw/zinc/07/49/67/1063074967.db2.gz IDLBIXFPOUQRKU-PMPSAXMXSA-N 1 0 458.529 2.507 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001291102150 1063075397 /nfs/dbraw/zinc/07/53/97/1063075397.db2.gz IDLBIXFPOUQRKU-OWCLPIDISA-N 1 0 458.529 2.507 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCO)Cc2ccccc2)C1 ZINC001291102165 1063075436 /nfs/dbraw/zinc/07/54/36/1063075436.db2.gz INKVEDPQXJWRSY-IRLDBZIGSA-N 1 0 489.686 2.690 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)CN2CCOCC2)C1 ZINC001291102265 1063076787 /nfs/dbraw/zinc/07/67/87/1063076787.db2.gz JYIVCZLBXFJBKR-NHCUHLMSSA-N 1 0 489.709 2.534 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ncnn2CC(F)F)C1 ZINC001291102294 1063076867 /nfs/dbraw/zinc/07/68/67/1063076867.db2.gz KOGGTABDKZANKI-INIZCTEOSA-N 1 0 474.564 2.739 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291102414 1063077761 /nfs/dbraw/zinc/07/77/61/1063077761.db2.gz MXCDBLMYJSNHJY-GOSISDBHSA-N 1 0 466.696 2.916 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001287751520 1063077838 /nfs/dbraw/zinc/07/78/38/1063077838.db2.gz XNIWCKNIEDAWRH-YESZJQIVSA-N 1 0 480.601 2.960 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N(C)CCCNC(=O)C2CCC2)C1 ZINC001291102621 1063078137 /nfs/dbraw/zinc/07/81/37/1063078137.db2.gz PYHYMUGMSHJEQS-LJQANCHMSA-N 1 0 470.666 2.932 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001291102524 1063078506 /nfs/dbraw/zinc/07/85/06/1063078506.db2.gz OQPQDLIMSCKOPH-FGTMMUONSA-N 1 0 485.599 2.813 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001291103004 1063079391 /nfs/dbraw/zinc/07/93/91/1063079391.db2.gz WTIDFDHMDDPUMW-VQTJNVASSA-N 1 0 480.723 2.611 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC001287752348 1063079913 /nfs/dbraw/zinc/07/99/13/1063079913.db2.gz MEJZHZYHCLEYGW-IBGZPJMESA-N 1 0 475.037 2.871 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103369 1063080810 /nfs/dbraw/zinc/08/08/10/1063080810.db2.gz CQRBNYHWFCGWSE-UXHICEINSA-N 1 0 473.691 2.920 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001287758450 1063084065 /nfs/dbraw/zinc/08/40/65/1063084065.db2.gz BZRULEBXXHSLHB-IBGZPJMESA-N 1 0 475.037 2.750 20 0 JFADRO C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105067 1063085728 /nfs/dbraw/zinc/08/57/28/1063085728.db2.gz DKTAURSSVGMPTQ-ZACQAIPSSA-N 1 0 492.466 2.868 20 0 JFADRO CCN(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C[NH+](C)C)CC1)S(C)(=O)=O ZINC001295267328 1063086277 /nfs/dbraw/zinc/08/62/77/1063086277.db2.gz UALPLJSMJDKXSY-UHFFFAOYSA-N 1 0 498.097 2.832 20 0 JFADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105248 1063086472 /nfs/dbraw/zinc/08/64/72/1063086472.db2.gz GXKHKZXWVDGHHP-CVEARBPZSA-N 1 0 455.028 2.595 20 0 JFADRO CCN(C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCCC2)CC1)S(C)(=O)=O ZINC001295267503 1063087218 /nfs/dbraw/zinc/08/72/18/1063087218.db2.gz VNRZXRPZVIPXAY-LJQANCHMSA-N 1 0 468.712 2.948 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC001287762288 1063088271 /nfs/dbraw/zinc/08/82/71/1063088271.db2.gz ROEYSIWDWVWHRT-NRFANRHFSA-N 1 0 454.623 2.550 20 0 JFADRO CC(C)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001291105885 1063089357 /nfs/dbraw/zinc/08/93/57/1063089357.db2.gz PAATWXGUDQNPOF-ZRNYENFQSA-N 1 0 454.685 2.881 20 0 JFADRO C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106002 1063090657 /nfs/dbraw/zinc/09/06/57/1063090657.db2.gz QNSFJVLVNLYVCK-LRAJWGHMSA-N 1 0 478.439 2.858 20 0 JFADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106097 1063091595 /nfs/dbraw/zinc/09/15/95/1063091595.db2.gz RLKWZWQDKDBGPF-WRQOLXDDSA-N 1 0 480.601 2.643 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106124 1063092056 /nfs/dbraw/zinc/09/20/56/1063092056.db2.gz RXTLMEZOUMNVTG-SJBKTWHCSA-N 1 0 453.635 2.922 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106189 1063092103 /nfs/dbraw/zinc/09/21/03/1063092103.db2.gz SQYOZMDAHXRSGS-UJMXGEILSA-N 1 0 489.665 2.699 20 0 JFADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O)[N@@H+]1CCC[C@H](C)C1 ZINC001291107073 1063094682 /nfs/dbraw/zinc/09/46/82/1063094682.db2.gz FUXDFNBTQGKHSK-ZWKOTPCHSA-N 1 0 467.611 2.597 20 0 JFADRO CC(C)NC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291107149 1063095282 /nfs/dbraw/zinc/09/52/82/1063095282.db2.gz GMBDTUJTJJSWCL-SFTDATJTSA-N 1 0 459.683 2.703 20 0 JFADRO CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1=O ZINC001287768994 1063095577 /nfs/dbraw/zinc/09/55/77/1063095577.db2.gz QDWHWALQTWXGAA-UHFFFAOYSA-N 1 0 460.667 2.816 20 0 JFADRO C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC001291107076 1063095702 /nfs/dbraw/zinc/09/57/02/1063095702.db2.gz FVQJZAJMLDRFGO-VXKWHMMOSA-N 1 0 469.678 2.931 20 0 JFADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107546 1063096407 /nfs/dbraw/zinc/09/64/07/1063096407.db2.gz KELRCQSLSTXHBV-GGUMNFRJSA-N 1 0 458.582 2.818 20 0 JFADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107883 1063098010 /nfs/dbraw/zinc/09/80/10/1063098010.db2.gz NRHXHWVIKRRMEI-GUDVDZBRSA-N 1 0 458.582 2.818 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108276 1063098718 /nfs/dbraw/zinc/09/87/18/1063098718.db2.gz SWECNPKKSPDGQL-UJWQCDCRSA-N 1 0 455.694 2.631 20 0 JFADRO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1=O ZINC001287778238 1063100916 /nfs/dbraw/zinc/10/09/16/1063100916.db2.gz OIRRFYSDIOKMTI-RTWAWAEBSA-N 1 0 487.693 2.604 20 0 JFADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108547 1063101279 /nfs/dbraw/zinc/10/12/79/1063101279.db2.gz XFLHNIRAVGEQCQ-FDGPYGQJSA-N 1 0 481.707 2.942 20 0 JFADRO C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108567 1063101327 /nfs/dbraw/zinc/10/13/27/1063101327.db2.gz XTZWNZUZMHPSCO-UXHICEINSA-N 1 0 487.674 2.508 20 0 JFADRO C[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001291109465 1063104297 /nfs/dbraw/zinc/10/42/97/1063104297.db2.gz MQKXCVHGXYBEFL-UXHICEINSA-N 1 0 455.607 2.789 20 0 JFADRO CCN(C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001295273679 1063107124 /nfs/dbraw/zinc/10/71/24/1063107124.db2.gz NJYAJVHTGXPMOO-NRFANRHFSA-N 1 0 496.722 2.892 20 0 JFADRO C[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001291112161 1063113524 /nfs/dbraw/zinc/11/35/24/1063113524.db2.gz GGKPXSZTVPMHEL-SFHVURJKSA-N 1 0 461.632 2.696 20 0 JFADRO CCN(CC(C)C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1([NH+](C)C)CCOCC1 ZINC001295278088 1063119909 /nfs/dbraw/zinc/11/99/09/1063119909.db2.gz UOQOFLWXWKBBHG-UHFFFAOYSA-N 1 0 492.690 2.789 20 0 JFADRO CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001295283709 1063126816 /nfs/dbraw/zinc/12/68/16/1063126816.db2.gz NERQCKOFXOFAJB-QFIPXVFZSA-N 1 0 453.635 2.529 20 0 JFADRO C[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001291120765 1063132152 /nfs/dbraw/zinc/13/21/52/1063132152.db2.gz JHIZCGJDGDVGGK-UNMCSNQZSA-N 1 0 453.635 2.833 20 0 JFADRO C[C@H]1CCCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)NCC(F)F)CC1 ZINC001291121002 1063133077 /nfs/dbraw/zinc/13/30/77/1063133077.db2.gz NFVXVIRMXGQKCW-FQEVSTJZSA-N 1 0 489.615 2.651 20 0 JFADRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC001295286020 1063133662 /nfs/dbraw/zinc/13/36/62/1063133662.db2.gz DLTCMHDIOIQMNK-VBSBHUPXSA-N 1 0 453.505 2.764 20 0 JFADRO CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001295291388 1063135811 /nfs/dbraw/zinc/13/58/11/1063135811.db2.gz CAODSWVFFVBTPG-DNQXCXABSA-N 1 0 498.672 2.739 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001291123020 1063136079 /nfs/dbraw/zinc/13/60/79/1063136079.db2.gz CLYHVOYJPJTCMD-MHTWAQMVSA-N 1 0 482.695 2.548 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001291123626 1063139242 /nfs/dbraw/zinc/13/92/42/1063139242.db2.gz OBASVNNOPHZHPN-NRFANRHFSA-N 1 0 487.693 2.910 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C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC001291143993 1063224344 /nfs/dbraw/zinc/22/43/44/1063224344.db2.gz HCYCSQGWDCDRBH-SFTDATJTSA-N 1 0 460.667 2.815 20 0 JFADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144307 1063224824 /nfs/dbraw/zinc/22/48/24/1063224824.db2.gz MNXCCKIQJDRPTB-YRXWBPOGSA-N 1 0 455.694 2.631 20 0 JFADRO CC(C)OCCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144183 1063224959 /nfs/dbraw/zinc/22/49/59/1063224959.db2.gz KKEPVORWLXLXNB-QHCPKHFHSA-N 1 0 469.678 2.931 20 0 JFADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291144370 1063225657 /nfs/dbraw/zinc/22/56/57/1063225657.db2.gz NLHFLMMMKHBLMD-IBGZPJMESA-N 1 0 468.712 2.753 20 0 JFADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291144899 1063227492 /nfs/dbraw/zinc/22/74/92/1063227492.db2.gz WXLCATMQCKKNMC-UXHICEINSA-N 1 0 489.665 2.624 20 0 JFADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC001291144782 1063227516 /nfs/dbraw/zinc/22/75/16/1063227516.db2.gz UVTZGXHDMGSWOI-RBUKOAKNSA-N 1 0 458.582 2.784 20 0 JFADRO C[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(C)CC1 ZINC001291145847 1063229713 /nfs/dbraw/zinc/22/97/13/1063229713.db2.gz RJYYFTMFNNXEDU-SFHVURJKSA-N 1 0 486.646 2.793 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001291147533 1063233865 /nfs/dbraw/zinc/23/38/65/1063233865.db2.gz AASHNASUSVGHRZ-IXDOHACOSA-N 1 0 452.650 2.633 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001291147532 1063233935 /nfs/dbraw/zinc/23/39/35/1063233935.db2.gz AASHNASUSVGHRZ-IKGGRYGDSA-N 1 0 452.650 2.633 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001291147729 1063234536 /nfs/dbraw/zinc/23/45/36/1063234536.db2.gz DHTDPHIIRSFBJO-NTDBWNAOSA-N 1 0 466.677 2.879 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)CC1 ZINC001295334019 1063234582 /nfs/dbraw/zinc/23/45/82/1063234582.db2.gz FWLFEICVWUKDFO-UHFFFAOYSA-N 1 0 473.710 2.877 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001291167919 1063257564 /nfs/dbraw/zinc/25/75/64/1063257564.db2.gz WTUCRDWCRGWRIU-QHAWAJNXSA-N 1 0 492.665 2.670 20 0 JFADRO C[C@@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CC1(C)C ZINC001291173724 1063261268 /nfs/dbraw/zinc/26/12/68/1063261268.db2.gz ANYLAUZMJDNCCP-OAQYLSRUSA-N 1 0 467.662 2.603 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180323 1063272521 /nfs/dbraw/zinc/27/25/21/1063272521.db2.gz ZKYAEPULANJIFE-IBGZPJMESA-N 1 0 490.674 2.669 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181405 1063274592 /nfs/dbraw/zinc/27/45/92/1063274592.db2.gz HIDUSCCYOAFMGG-DLBZAZTESA-N 1 0 460.545 2.694 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)CC1 ZINC001291182010 1063276777 /nfs/dbraw/zinc/27/67/77/1063276777.db2.gz AALAGUQKOQCJLD-KRWDZBQOSA-N 1 0 451.413 2.840 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001291182343 1063277526 /nfs/dbraw/zinc/27/75/26/1063277526.db2.gz KPSVIKHDEJBFNB-UHFFFAOYSA-N 1 0 455.529 2.694 20 0 JFADRO CC1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001291182617 1063277840 /nfs/dbraw/zinc/27/78/40/1063277840.db2.gz RYTLKOWURIVFSA-UHFFFAOYSA-N 1 0 468.712 2.754 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 ZINC001291182678 1063278415 /nfs/dbraw/zinc/27/84/15/1063278415.db2.gz UCKDTUCMCMFWIS-HXUWFJFHSA-N 1 0 453.653 2.655 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2CCC(C)CC2)CCOC1 ZINC001291182989 1063279210 /nfs/dbraw/zinc/27/92/10/1063279210.db2.gz CHBABTKSQSAMCM-VWLOTQADSA-N 1 0 476.666 2.533 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+](C)C(C)C)CC1 ZINC001295344969 1063279388 /nfs/dbraw/zinc/27/93/88/1063279388.db2.gz PYRHQXDTXYFBMT-FYYLOGMGSA-N 1 0 491.725 2.527 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001291183628 1063280872 /nfs/dbraw/zinc/28/08/72/1063280872.db2.gz ZKCPJGIGRLRHBZ-NJDAHSKKSA-N 1 0 460.667 2.986 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccc(Cl)cc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001291184402 1063282977 /nfs/dbraw/zinc/28/29/77/1063282977.db2.gz YYBAGBDKEDKDBU-UHFFFAOYSA-N 1 0 481.066 2.802 20 0 JFADRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001291185072 1063284489 /nfs/dbraw/zinc/28/44/89/1063284489.db2.gz TTXXXJBPSWHAOV-HXUWFJFHSA-N 1 0 466.696 2.603 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001291185310 1063285210 /nfs/dbraw/zinc/28/52/10/1063285210.db2.gz ZPJMSLCQMBSKDY-VQTJNVASSA-N 1 0 489.665 2.702 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCC(C)CC1 ZINC001291185794 1063286893 /nfs/dbraw/zinc/28/68/93/1063286893.db2.gz QDBQCWFIDFFPNV-QZTJIDSGSA-N 1 0 453.678 2.920 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295346335 1063287246 /nfs/dbraw/zinc/28/72/46/1063287246.db2.gz VKUAVUJQHPGUIX-VQTJNVASSA-N 1 0 456.639 2.977 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001291185899 1063287380 /nfs/dbraw/zinc/28/73/80/1063287380.db2.gz SOYQLGUXLWTCPM-QFIPXVFZSA-N 1 0 499.660 2.726 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N3CCC(NC(=O)C(C)C)CC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185932 1063287631 /nfs/dbraw/zinc/28/76/31/1063287631.db2.gz UPEGCSOPTCINIW-SANMLTNESA-N 1 0 490.693 2.792 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291186136 1063288542 /nfs/dbraw/zinc/28/85/42/1063288542.db2.gz AMQFIXZOENCJRV-KURKYZTESA-N 1 0 458.582 2.639 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001291186293 1063289302 /nfs/dbraw/zinc/28/93/02/1063289302.db2.gz CNDXTSMPYGCJIT-HDICACEKSA-N 1 0 459.639 2.960 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CCC2CCOCC2)C[C@H](C)O1 ZINC001291186572 1063291026 /nfs/dbraw/zinc/29/10/26/1063291026.db2.gz GSTAMBWGPVTYKK-KDURUIRLSA-N 1 0 457.623 2.876 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCC(CCC(N)=O)CC2)C[C@@H](C)O1 ZINC001291186643 1063291894 /nfs/dbraw/zinc/29/18/94/1063291894.db2.gz IAPXBYLGCXCBFW-RTBURBONSA-N 1 0 469.634 2.710 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295348906 1063292057 /nfs/dbraw/zinc/29/20/57/1063292057.db2.gz RHBAFHFTIBGTFO-MHZLTWQESA-N 1 0 497.688 2.893 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187451 1063296514 /nfs/dbraw/zinc/29/65/14/1063296514.db2.gz USEHEPBJAOCVMT-CRSSMBPESA-N 1 0 496.722 2.935 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291187629 1063296998 /nfs/dbraw/zinc/29/69/98/1063296998.db2.gz WWVXPCKYISIOHW-YPAWHYETSA-N 1 0 490.693 2.755 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001295351945 1063298716 /nfs/dbraw/zinc/29/87/16/1063298716.db2.gz TZXNYIDWDMXHRC-YADHBBJMSA-N 1 0 469.634 2.669 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001295351994 1063300019 /nfs/dbraw/zinc/30/00/19/1063300019.db2.gz WJKSTQSVRYPKBP-OAQYLSRUSA-N 1 0 463.671 2.875 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291188164 1063301375 /nfs/dbraw/zinc/30/13/75/1063301375.db2.gz GIBPIVWRKASACG-QRVBRYPASA-N 1 0 472.609 2.563 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2cnccn2)C[C@@H](C)O1 ZINC001291188292 1063302490 /nfs/dbraw/zinc/30/24/90/1063302490.db2.gz HVKMVUOKWBPZHC-WOJBJXKFSA-N 1 0 464.618 2.621 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)C(C)C)CC1 ZINC001295353149 1063302486 /nfs/dbraw/zinc/30/24/86/1063302486.db2.gz BZCXAFOZYLMPGD-UHFFFAOYSA-N 1 0 462.668 2.558 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)C[C@@H](C)O1 ZINC001291188492 1063303998 /nfs/dbraw/zinc/30/39/98/1063303998.db2.gz LEWZQAXKPUMPLG-IPMKNSEASA-N 1 0 488.608 2.551 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001295353952 1063305228 /nfs/dbraw/zinc/30/52/28/1063305228.db2.gz IZANDNVVPQEQMK-JOCHJYFZSA-N 1 0 499.708 2.988 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291188952 1063306241 /nfs/dbraw/zinc/30/62/41/1063306241.db2.gz SVOKDQWLVNPJAS-CALCHBBNSA-N 1 0 460.648 2.520 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001291189196 1063307311 /nfs/dbraw/zinc/30/73/11/1063307311.db2.gz XBSHWVITXISKAT-HSALFYBXSA-N 1 0 478.707 2.866 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291189265 1063307874 /nfs/dbraw/zinc/30/78/74/1063307874.db2.gz YKGDONAIDOSXEI-OYRHEFFESA-N 1 0 497.688 2.893 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295355556 1063309534 /nfs/dbraw/zinc/30/95/34/1063309534.db2.gz NBCKSCSBPZYGMF-FGZHOGPDSA-N 1 0 475.682 2.734 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291189427 1063309817 /nfs/dbraw/zinc/30/98/17/1063309817.db2.gz BAAFOIPPDYJGMB-HNNXBMFYSA-N 1 0 478.439 2.825 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295355639 1063309902 /nfs/dbraw/zinc/30/99/02/1063309902.db2.gz OZRPFEBLYOTRFZ-FCHUYYIVSA-N 1 0 482.677 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001295358072 1063314469 /nfs/dbraw/zinc/31/44/69/1063314469.db2.gz GMKPYUIBYGAUFG-CQSZACIVSA-N 1 0 458.533 2.535 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC001295358373 1063314805 /nfs/dbraw/zinc/31/48/05/1063314805.db2.gz JDRIICPERZXMIJ-FQEVSTJZSA-N 1 0 483.661 2.888 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001295358890 1063316305 /nfs/dbraw/zinc/31/63/05/1063316305.db2.gz PPTBPVKXGFGSHS-MHECFPHRSA-N 1 0 477.053 2.984 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001291190606 1063316408 /nfs/dbraw/zinc/31/64/08/1063316408.db2.gz ZZTWKYOCVFGEEJ-RDTXWAMCSA-N 1 0 461.408 2.715 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295358954 1063316764 /nfs/dbraw/zinc/31/67/64/1063316764.db2.gz RSEWRSUAYFSWOO-RTBURBONSA-N 1 0 479.670 2.982 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001291191783 1063317424 /nfs/dbraw/zinc/31/74/24/1063317424.db2.gz YJOOAKVDWJZIBO-HNNXBMFYSA-N 1 0 461.408 2.859 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295359014 1063317855 /nfs/dbraw/zinc/31/78/55/1063317855.db2.gz TUMGUGBUFVCKCV-MOPGFXCFSA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001295359208 1063318954 /nfs/dbraw/zinc/31/89/54/1063318954.db2.gz VXEKVUZYOVCUQN-SFHVURJKSA-N 1 0 472.634 2.769 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001295362605 1063323218 /nfs/dbraw/zinc/32/32/18/1063323218.db2.gz QJAYMNANYKHYNM-HUUCEWRRSA-N 1 0 466.428 2.858 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295363172 1063323759 /nfs/dbraw/zinc/32/37/59/1063323759.db2.gz AIYXIROZTOXWDQ-OSPHWJPCSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295363170 1063323852 /nfs/dbraw/zinc/32/38/52/1063323852.db2.gz AIYXIROZTOXWDQ-BXKMTCNYSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001295363578 1063324989 /nfs/dbraw/zinc/32/49/89/1063324989.db2.gz CGDBBJCOMJQXHP-GOSISDBHSA-N 1 0 485.658 2.742 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(=O)NC)CC1 ZINC001295364723 1063326512 /nfs/dbraw/zinc/32/65/12/1063326512.db2.gz HDQFZRUAJYHHGN-INIZCTEOSA-N 1 0 478.439 2.899 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 ZINC001295365315 1063327741 /nfs/dbraw/zinc/32/77/41/1063327741.db2.gz GXLSTPVCXSIVGM-AZUAARDMSA-N 1 0 485.658 2.806 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001295366079 1063329347 /nfs/dbraw/zinc/32/93/47/1063329347.db2.gz PLPMDBHJEGVLJL-QGZVFWFLSA-N 1 0 480.032 2.678 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295366450 1063330256 /nfs/dbraw/zinc/33/02/56/1063330256.db2.gz SQHXCCRSMMJHKL-LJQANCHMSA-N 1 0 470.618 2.751 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295366890 1063331069 /nfs/dbraw/zinc/33/10/69/1063331069.db2.gz VNFYICODKAKVEH-PKOBYXMFSA-N 1 0 456.616 2.847 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 ZINC001295369458 1063334651 /nfs/dbraw/zinc/33/46/51/1063334651.db2.gz GTLKCFGUFNVKPW-OXJNMPFZSA-N 1 0 455.563 2.953 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC001295369793 1063335346 /nfs/dbraw/zinc/33/53/46/1063335346.db2.gz KEGQEUAKFMGACC-ROUUACIJSA-N 1 0 453.595 2.645 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001295371000 1063336603 /nfs/dbraw/zinc/33/66/03/1063336603.db2.gz OEBSJPGQSZVJDM-LGVFNWMJSA-N 1 0 497.688 2.673 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001295371769 1063337885 /nfs/dbraw/zinc/33/78/85/1063337885.db2.gz QYJDJJAXDNIDGD-GOSISDBHSA-N 1 0 478.601 2.612 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001295372793 1063339385 /nfs/dbraw/zinc/33/93/85/1063339385.db2.gz WJFUSUPSTRKBBD-NRFANRHFSA-N 1 0 461.614 2.962 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001295372759 1063339460 /nfs/dbraw/zinc/33/94/60/1063339460.db2.gz HRWBAJKQWHOUQL-OALUTQOASA-N 1 0 494.644 2.633 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295373451 1063340948 /nfs/dbraw/zinc/34/09/48/1063340948.db2.gz ODNSFSLCOXAUNK-QIJUGHKUSA-N 1 0 453.591 2.711 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001295373297 1063341019 /nfs/dbraw/zinc/34/10/19/1063341019.db2.gz MARVKISBLLLCIG-FQEVSTJZSA-N 1 0 485.658 2.823 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001295376423 1063345135 /nfs/dbraw/zinc/34/51/35/1063345135.db2.gz MGNYYLVILYRVQA-PXNSSMCTSA-N 1 0 488.036 2.575 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001295378477 1063348031 /nfs/dbraw/zinc/34/80/31/1063348031.db2.gz FPVBESFYGRUWKZ-UNMCSNQZSA-N 1 0 454.619 2.783 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295379548 1063351210 /nfs/dbraw/zinc/35/12/10/1063351210.db2.gz MXZIPFAJMOQTFE-CEXWTWQISA-N 1 0 450.628 2.958 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379891 1063351772 /nfs/dbraw/zinc/35/17/72/1063351772.db2.gz NJNNDBLBJRJRQX-DOTOQJQBSA-N 1 0 455.575 2.825 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001295380790 1063352993 /nfs/dbraw/zinc/35/29/93/1063352993.db2.gz RNFLZGCBIZMGJP-RBUKOAKNSA-N 1 0 468.654 2.750 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001295381232 1063353683 /nfs/dbraw/zinc/35/36/83/1063353683.db2.gz SZIYHMPWUXSXFG-JOCHJYFZSA-N 1 0 461.699 2.732 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001295381718 1063354292 /nfs/dbraw/zinc/35/42/92/1063354292.db2.gz WHHSVNCPROAKMM-MOPGFXCFSA-N 1 0 460.598 2.987 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001295381685 1063354329 /nfs/dbraw/zinc/35/43/29/1063354329.db2.gz VYHDLVOHBRTGME-RTBURBONSA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001295381721 1063354442 /nfs/dbraw/zinc/35/44/42/1063354442.db2.gz WHHSVNCPROAKMM-RTBURBONSA-N 1 0 460.598 2.987 20 0 JFADRO COC(=O)[C@H](CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)Cc1ccccc1OC ZINC001295382961 1063355556 /nfs/dbraw/zinc/35/55/56/1063355556.db2.gz MXXKESWDVLHRAV-QFIPXVFZSA-N 1 0 453.583 2.987 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1N1CCOCC1 ZINC001291201644 1063357207 /nfs/dbraw/zinc/35/72/07/1063357207.db2.gz YTTHGUHXDAQOFO-GHTZIAJQSA-N 1 0 469.634 2.874 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001295383958 1063357777 /nfs/dbraw/zinc/35/77/77/1063357777.db2.gz DHSTUUOKNKDRLN-RBUKOAKNSA-N 1 0 477.654 2.576 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295385569 1063361544 /nfs/dbraw/zinc/36/15/44/1063361544.db2.gz MZXHIVBWJKJYEB-CTNGQTDRSA-N 1 0 463.648 2.828 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001295385591 1063361754 /nfs/dbraw/zinc/36/17/54/1063361754.db2.gz NPIBHOOQCPLNNA-JRGCBEDISA-N 1 0 457.575 2.916 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001295385814 1063361849 /nfs/dbraw/zinc/36/18/49/1063361849.db2.gz OUSAEDULDKWLGF-UQBPGWFLSA-N 1 0 489.064 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001295385813 1063361892 /nfs/dbraw/zinc/36/18/92/1063361892.db2.gz OUSAEDULDKWLGF-KBMIEXCESA-N 1 0 489.064 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1 ZINC001295386344 1063362363 /nfs/dbraw/zinc/36/23/63/1063362363.db2.gz ANZRGLRYBVRYQE-LJQANCHMSA-N 1 0 452.607 2.613 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001295386453 1063362390 /nfs/dbraw/zinc/36/23/90/1063362390.db2.gz AVZMMUDBSKKSRN-GOSISDBHSA-N 1 0 496.685 2.790 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001295386929 1063363397 /nfs/dbraw/zinc/36/33/97/1063363397.db2.gz XEVRBFQGHDDVEB-FQEVSTJZSA-N 1 0 459.639 2.992 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291205542 1063364778 /nfs/dbraw/zinc/36/47/78/1063364778.db2.gz KKPNANAYKGAHOG-FZKCQIBNSA-N 1 0 472.706 2.583 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001291205664 1063365364 /nfs/dbraw/zinc/36/53/64/1063365364.db2.gz MBWOOIYIFQUSAZ-QLFBSQMISA-N 1 0 499.479 2.725 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295388687 1063365943 /nfs/dbraw/zinc/36/59/43/1063365943.db2.gz JRBNOHAIHVNDOW-UGKGYDQZSA-N 1 0 453.635 2.948 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295388676 1063366028 /nfs/dbraw/zinc/36/60/28/1063366028.db2.gz JRBNOHAIHVNDOW-DENIHFKCSA-N 1 0 453.635 2.948 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001291205977 1063366435 /nfs/dbraw/zinc/36/64/35/1063366435.db2.gz QQBDCRRVVUPLHE-BRWVUGGUSA-N 1 0 484.717 2.729 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001295389623 1063367116 /nfs/dbraw/zinc/36/71/16/1063367116.db2.gz FDEVFAIJEKLTID-UGKGYDQZSA-N 1 0 488.608 2.554 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001295389902 1063368307 /nfs/dbraw/zinc/36/83/07/1063368307.db2.gz IKUGFLGTSBSHRQ-SJLPKXTDSA-N 1 0 462.599 2.794 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295390458 1063369638 /nfs/dbraw/zinc/36/96/38/1063369638.db2.gz SPGXEIZTMRHRNV-NRFANRHFSA-N 1 0 461.614 2.957 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001291206524 1063369481 /nfs/dbraw/zinc/36/94/81/1063369481.db2.gz XWVFWKTXJPALDQ-IPMKNSEASA-N 1 0 454.685 2.881 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390548 1063370066 /nfs/dbraw/zinc/37/00/66/1063370066.db2.gz QLUHWDTYUGIMRF-CJFMBICVSA-N 1 0 489.640 2.910 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1)c1ccco1 ZINC001295390766 1063370825 /nfs/dbraw/zinc/37/08/25/1063370825.db2.gz AGQJVQXERWPATJ-IBGZPJMESA-N 1 0 494.600 2.564 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295390918 1063371492 /nfs/dbraw/zinc/37/14/92/1063371492.db2.gz SRZSJIJHYGBCIX-KSYXXAMZSA-N 1 0 492.665 2.775 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(OC)C1)c1ccco1 ZINC001295390788 1063371514 /nfs/dbraw/zinc/37/15/14/1063371514.db2.gz AQXGZHZEIMRRGX-KRWDZBQOSA-N 1 0 453.547 2.827 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccsc1 ZINC001295391185 1063374204 /nfs/dbraw/zinc/37/42/04/1063374204.db2.gz DRJAKQTZCYCXPE-AZUAARDMSA-N 1 0 487.674 2.621 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccsc1 ZINC001295391631 1063374860 /nfs/dbraw/zinc/37/48/60/1063374860.db2.gz GINFHFJXCUSENY-RLLQIKCJSA-N 1 0 460.648 2.866 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccsc1 ZINC001295391629 1063375026 /nfs/dbraw/zinc/37/50/26/1063375026.db2.gz GINFHFJXCUSENY-HOJAQTOUSA-N 1 0 460.648 2.866 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)c1ccsc1 ZINC001295393005 1063377725 /nfs/dbraw/zinc/37/77/25/1063377725.db2.gz OBNNVKCOBGAYTE-FPGHNAPASA-N 1 0 490.674 2.945 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 ZINC001295394451 1063380999 /nfs/dbraw/zinc/38/09/99/1063380999.db2.gz ZPRMAXBAEVQQPC-IBVKSMDESA-N 1 0 490.612 2.710 20 0 JFADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)CC2)c1 ZINC001295395105 1063381547 /nfs/dbraw/zinc/38/15/47/1063381547.db2.gz PEZCQJFOVNFEDH-IBGZPJMESA-N 1 0 452.563 2.579 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001295394457 1063381599 /nfs/dbraw/zinc/38/15/99/1063381599.db2.gz ZQVGYAOCRLTLRH-MHTWAQMVSA-N 1 0 478.682 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1)c1ccsc1 ZINC001295397370 1063383597 /nfs/dbraw/zinc/38/35/97/1063383597.db2.gz MHKGAXVVKARXIP-NRFANRHFSA-N 1 0 485.658 2.723 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398009 1063384881 /nfs/dbraw/zinc/38/48/81/1063384881.db2.gz AGWAZIFGIMJRTJ-MOPGFXCFSA-N 1 0 454.604 2.800 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C)c1ccccc1 ZINC001295400791 1063386791 /nfs/dbraw/zinc/38/67/91/1063386791.db2.gz NLYJSGAXBFGGCB-VQTJNVASSA-N 1 0 469.634 2.663 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403895 1063389016 /nfs/dbraw/zinc/38/90/16/1063389016.db2.gz GZJNHKSFDZJHKE-YADARESESA-N 1 0 487.674 2.508 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 ZINC001295404004 1063389545 /nfs/dbraw/zinc/38/95/45/1063389545.db2.gz BKMPJBPZBXVJQV-OTPAQWSUSA-N 1 0 454.619 2.957 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210828 1063390014 /nfs/dbraw/zinc/39/00/14/1063390014.db2.gz JJFRTWFPXLUEIH-WBVHZDCISA-N 1 0 483.480 2.835 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccsc1 ZINC001295404261 1063390311 /nfs/dbraw/zinc/39/03/11/1063390311.db2.gz IZGXZKPMVXYUEB-RQIDZSJNSA-N 1 0 490.674 2.814 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404975 1063391726 /nfs/dbraw/zinc/39/17/26/1063391726.db2.gz FFUWPQMNOWFSNX-NHCUHLMSSA-N 1 0 458.607 2.811 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCC[NH+]2CCCCC2)CC(=O)N1C ZINC001291210951 1063392279 /nfs/dbraw/zinc/39/22/79/1063392279.db2.gz LHLMSHFWPGUVBQ-INIZCTEOSA-N 1 0 478.439 2.589 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211727 1063396988 /nfs/dbraw/zinc/39/69/88/1063396988.db2.gz ZUZQNRCLBIEQMD-QAPCUYQASA-N 1 0 492.466 2.833 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 ZINC001295406948 1063397695 /nfs/dbraw/zinc/39/76/95/1063397695.db2.gz NHPVNQPKANYFGH-QFIPXVFZSA-N 1 0 468.627 2.582 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccccc1 ZINC001295407636 1063399152 /nfs/dbraw/zinc/39/91/52/1063399152.db2.gz XGRRHPHVPREBJZ-BAGYTPMASA-N 1 0 454.619 2.922 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC001291214371 1063413374 /nfs/dbraw/zinc/41/33/74/1063413374.db2.gz VFPJYINZZJTXAY-RXVVDRJESA-N 1 0 461.632 2.694 20 0 JFADRO CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001295430293 1063440804 /nfs/dbraw/zinc/44/08/04/1063440804.db2.gz PIALDPWBKJCXAX-UHFFFAOYSA-N 1 0 461.632 2.840 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291219829 1063448269 /nfs/dbraw/zinc/44/82/69/1063448269.db2.gz SEENWAJGCWDQQP-INIZCTEOSA-N 1 0 452.024 2.954 20 0 JFADRO CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295449489 1063453520 /nfs/dbraw/zinc/45/35/20/1063453520.db2.gz VCNWBYXVJLASRT-BGYRXZFFSA-N 1 0 456.639 2.798 20 0 JFADRO CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001295449853 1063454703 /nfs/dbraw/zinc/45/47/03/1063454703.db2.gz XHZNRACUBPMXDQ-GOSISDBHSA-N 1 0 455.694 2.778 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccsc2)CC1 ZINC001295462250 1063461687 /nfs/dbraw/zinc/46/16/87/1063461687.db2.gz BQTVLXLGGDSFKR-QHCPKHFHSA-N 1 0 460.648 2.794 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001295463090 1063463754 /nfs/dbraw/zinc/46/37/54/1063463754.db2.gz JIDZMQZAFUYFOS-UHFFFAOYSA-N 1 0 465.643 2.642 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2(C)C)CC1 ZINC001295463043 1063463877 /nfs/dbraw/zinc/46/38/77/1063463877.db2.gz IHXMHGXHQWOGFJ-IAGOWNOFSA-N 1 0 472.725 2.731 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001295463030 1063463982 /nfs/dbraw/zinc/46/39/82/1063463982.db2.gz HZBFULFWTOUBQX-UHFFFAOYSA-N 1 0 491.600 2.638 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nccc(C(F)F)n2)CC1 ZINC001295463929 1063464685 /nfs/dbraw/zinc/46/46/85/1063464685.db2.gz UGSDDKURJICNLQ-UHFFFAOYSA-N 1 0 450.538 2.503 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)COC)CC1 ZINC001295464162 1063465778 /nfs/dbraw/zinc/46/57/78/1063465778.db2.gz BLWGYGGUZHFQNJ-SFHVURJKSA-N 1 0 453.595 2.514 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)nc32)CC1 ZINC001295464235 1063466695 /nfs/dbraw/zinc/46/66/95/1063466695.db2.gz YRABFDHLEAFTRL-LJQANCHMSA-N 1 0 456.639 2.809 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccccn3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001295464650 1063467553 /nfs/dbraw/zinc/46/75/53/1063467553.db2.gz KAHCKOAXHWTHMH-UHFFFAOYSA-N 1 0 485.633 2.944 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001295465770 1063470934 /nfs/dbraw/zinc/47/09/34/1063470934.db2.gz RJOLTYLIIWYPFJ-IBGZPJMESA-N 1 0 474.009 2.897 20 0 JFADRO C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291226208 1063472789 /nfs/dbraw/zinc/47/27/89/1063472789.db2.gz FAPGSXTWSFKVJQ-FUHIMQAGSA-N 1 0 477.451 2.815 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 ZINC001295471240 1063475722 /nfs/dbraw/zinc/47/57/22/1063475722.db2.gz BGDIJVMQYKFIRI-FQEVSTJZSA-N 1 0 480.654 2.934 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCOC)CC1 ZINC001295471241 1063475870 /nfs/dbraw/zinc/47/58/70/1063475870.db2.gz BGDIJVMQYKFIRI-HXUWFJFHSA-N 1 0 480.654 2.934 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)OC)CC1 ZINC001295473861 1063479380 /nfs/dbraw/zinc/47/93/80/1063479380.db2.gz WDSVXBIMDVMIKL-LJQANCHMSA-N 1 0 456.639 2.798 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC001291229027 1063480525 /nfs/dbraw/zinc/48/05/25/1063480525.db2.gz BHEGZHPTIQJXRG-NZSAHSFTSA-N 1 0 470.540 2.796 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291230112 1063483198 /nfs/dbraw/zinc/48/31/98/1063483198.db2.gz UYWOCJGKPYIFKS-RTBURBONSA-N 1 0 481.567 2.650 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)S1 ZINC001291231322 1063485938 /nfs/dbraw/zinc/48/59/38/1063485938.db2.gz RQDRBBZZCWWTLV-QWFCFKBJSA-N 1 0 459.664 2.557 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001295479979 1063489573 /nfs/dbraw/zinc/48/95/73/1063489573.db2.gz JGQOMQONONIRML-FQEVSTJZSA-N 1 0 496.660 2.742 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2-n2ccnc2)CC1 ZINC001295480884 1063491564 /nfs/dbraw/zinc/49/15/64/1063491564.db2.gz PUQPVVUHNQMDSK-UHFFFAOYSA-N 1 0 478.645 2.800 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C)cc2N2CCOCC2)CC1 ZINC001295480935 1063491595 /nfs/dbraw/zinc/49/15/95/1063491595.db2.gz QPWRBAQOWCSOLM-UHFFFAOYSA-N 1 0 497.688 2.585 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001295481013 1063491686 /nfs/dbraw/zinc/49/16/86/1063491686.db2.gz RLZQNEZKRVKGDC-VWLOTQADSA-N 1 0 462.683 2.897 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCOc2ncccc2Cl)CC1 ZINC001295481790 1063493618 /nfs/dbraw/zinc/49/36/18/1063493618.db2.gz ZKRFWKANWWXMMJ-UHFFFAOYSA-N 1 0 478.041 2.693 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCc2ccc(C)c(OC)c2)CC1 ZINC001295481382 1063493659 /nfs/dbraw/zinc/49/36/59/1063493659.db2.gz WSBAXTIPVQEXHO-UHFFFAOYSA-N 1 0 456.635 2.952 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CCC(C)(F)F)CC1 ZINC001295481971 1063495660 /nfs/dbraw/zinc/49/56/60/1063495660.db2.gz CWLIMBNTSZQJRR-UHFFFAOYSA-N 1 0 464.561 2.989 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC001291234679 1063495627 /nfs/dbraw/zinc/49/56/27/1063495627.db2.gz AAQADOADYCBTIE-KDURUIRLSA-N 1 0 453.591 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2[C@@H]2C[C@H]2C)CC1 ZINC001295482353 1063499929 /nfs/dbraw/zinc/49/99/29/1063499929.db2.gz LGJCDQJAQJKRPM-DYESRHJHSA-N 1 0 456.591 2.534 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+](C)C)CCN1C(=O)OC(C)(C)C ZINC001291236957 1063501512 /nfs/dbraw/zinc/50/15/12/1063501512.db2.gz OISPHCHFHDVGPP-KRWDZBQOSA-N 1 0 458.611 2.769 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295482632 1063503300 /nfs/dbraw/zinc/50/33/00/1063503300.db2.gz VUTNXALNSCIZSB-HXUWFJFHSA-N 1 0 458.607 2.652 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)nn2C)CC1 ZINC001295482616 1063503378 /nfs/dbraw/zinc/50/33/78/1063503378.db2.gz VBPGXMMSXJWHFE-UHFFFAOYSA-N 1 0 485.036 2.679 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)CC(F)(F)F)CC[N@@H+](C2CCC2)C1 ZINC001291237996 1063504541 /nfs/dbraw/zinc/50/45/41/1063504541.db2.gz HUYDUMPSQBOAQI-MRXNPFEDSA-N 1 0 452.529 2.540 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001295483379 1063507059 /nfs/dbraw/zinc/50/70/59/1063507059.db2.gz CRVGCNSBCFHRHP-HXUWFJFHSA-N 1 0 475.037 2.783 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC[NH+](C)C)CC(C)(C)C1 ZINC001291238525 1063507251 /nfs/dbraw/zinc/50/72/51/1063507251.db2.gz RVEMXGKKNXYDHL-SFHVURJKSA-N 1 0 477.679 2.689 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(C)C)cc2)CC1 ZINC001295483481 1063507786 /nfs/dbraw/zinc/50/77/86/1063507786.db2.gz FWDPCWJNCGGNGR-QFIPXVFZSA-N 1 0 484.645 2.608 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295483563 1063507885 /nfs/dbraw/zinc/50/78/85/1063507885.db2.gz GWLVOKFIWKGPMQ-GOTSBHOMSA-N 1 0 483.661 2.607 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001295483574 1063508526 /nfs/dbraw/zinc/50/85/26/1063508526.db2.gz HINPUKNTQMTDSH-IBGZPJMESA-N 1 0 491.681 2.791 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001295483778 1063508598 /nfs/dbraw/zinc/50/85/98/1063508598.db2.gz HJECACIACFLCSZ-WNCULLNHSA-N 1 0 498.672 2.808 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(OC)cc2)CC1 ZINC001295484303 1063509875 /nfs/dbraw/zinc/50/98/75/1063509875.db2.gz LMZGBXJGRFICQN-UHFFFAOYSA-N 1 0 454.619 2.983 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001295484380 1063510473 /nfs/dbraw/zinc/51/04/73/1063510473.db2.gz MWXLZERLYVKOQP-XJUOHMSHSA-N 1 0 490.693 2.614 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001291241029 1063511461 /nfs/dbraw/zinc/51/14/61/1063511461.db2.gz JBNWLIQKFJXFGT-WCXIOVBPSA-N 1 0 458.529 2.506 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001295484750 1063512958 /nfs/dbraw/zinc/51/29/58/1063512958.db2.gz RAAQKNUQWRLTFX-YADARESESA-N 1 0 457.623 2.611 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241742 1063513145 /nfs/dbraw/zinc/51/31/45/1063513145.db2.gz SHCUVFALGMTVIY-GUDVDZBRSA-N 1 0 477.654 2.558 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nc(C)c(C)s2)CC1 ZINC001295485003 1063513630 /nfs/dbraw/zinc/51/36/30/1063513630.db2.gz SNHZRCAZFHNKGC-UHFFFAOYSA-N 1 0 470.647 2.580 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)cc2C)CC1 ZINC001295490625 1063516942 /nfs/dbraw/zinc/51/69/42/1063516942.db2.gz BLVSMHAIHCEMCE-UHFFFAOYSA-N 1 0 475.641 2.919 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)SC)CC1 ZINC001295490663 1063517986 /nfs/dbraw/zinc/51/79/86/1063517986.db2.gz CYOIZJVSOSCDIG-GOSISDBHSA-N 1 0 462.639 2.750 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(O)c2)CC1 ZINC001295490918 1063519139 /nfs/dbraw/zinc/51/91/39/1063519139.db2.gz JDVYEPLZQCJOLN-UHFFFAOYSA-N 1 0 472.634 2.620 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(F)cn2)CC1 ZINC001295491029 1063520443 /nfs/dbraw/zinc/52/04/43/1063520443.db2.gz NIOLOSSXNWIOTL-UHFFFAOYSA-N 1 0 499.566 2.569 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001295491201 1063521683 /nfs/dbraw/zinc/52/16/83/1063521683.db2.gz QLWIPCBNQIEEHH-RBBKRZOGSA-N 1 0 470.618 2.588 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C)COC2)CC1 ZINC001295491132 1063521769 /nfs/dbraw/zinc/52/17/69/1063521769.db2.gz PQDITEUHQXNDMN-UHFFFAOYSA-N 1 0 484.645 2.501 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccccn2)CC1 ZINC001295491294 1063522498 /nfs/dbraw/zinc/52/24/98/1063522498.db2.gz RRUWMVJSYBJRNE-UHFFFAOYSA-N 1 0 479.604 2.636 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)cc2F)CC1 ZINC001295491576 1063522883 /nfs/dbraw/zinc/52/28/83/1063522883.db2.gz VCUNURLHZMULIL-UHFFFAOYSA-N 1 0 496.635 2.626 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCc2c(C)noc2C)CC1 ZINC001295491588 1063523819 /nfs/dbraw/zinc/52/38/19/1063523819.db2.gz VMFDNJZQPRNPPS-UHFFFAOYSA-N 1 0 485.658 2.768 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[C@@H]2CCCCO2)CC1 ZINC001295491862 1063524880 /nfs/dbraw/zinc/52/48/80/1063524880.db2.gz XSCNPYRKXSNTOV-QFIPXVFZSA-N 1 0 460.667 2.960 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291249360 1063525826 /nfs/dbraw/zinc/52/58/26/1063525826.db2.gz DIFYPJGFEWCVAJ-RTBURBONSA-N 1 0 467.680 2.696 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 ZINC001295492497 1063526309 /nfs/dbraw/zinc/52/63/09/1063526309.db2.gz BPOYUMUAQPKOAL-QHCPKHFHSA-N 1 0 468.646 2.852 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC001295492946 1063526326 /nfs/dbraw/zinc/52/63/26/1063526326.db2.gz DXSHRXWAQOMDQB-QHCPKHFHSA-N 1 0 479.629 2.515 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(N3CCCC3=O)CC2)c1 ZINC001295493868 1063528272 /nfs/dbraw/zinc/52/82/72/1063528272.db2.gz VJUUGWMWPWZKNZ-UHFFFAOYSA-N 1 0 495.672 2.898 20 0 JFADRO CCN(C1CCN(c2nnc(C)n2Cc2ccc(C[NH+](CC)CC)cc2)CC1)S(C)(=O)=O ZINC001295494502 1063529434 /nfs/dbraw/zinc/52/94/34/1063529434.db2.gz PWPFDEHPPCXCCF-UHFFFAOYSA-N 1 0 462.664 2.727 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(Cl)cc2F)CC1 ZINC001295495000 1063530399 /nfs/dbraw/zinc/53/03/99/1063530399.db2.gz XPQOEVXIECHGGQ-HXUWFJFHSA-N 1 0 479.000 2.961 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 ZINC001295495167 1063531463 /nfs/dbraw/zinc/53/14/63/1063531463.db2.gz ZAYYZISRVUYGNT-NRFANRHFSA-N 1 0 498.031 2.835 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)O[C@@H](C)C2)c1 ZINC001295499588 1063532911 /nfs/dbraw/zinc/53/29/11/1063532911.db2.gz BTBAZMJHQHVQNM-PMACEKPBSA-N 1 0 454.619 2.904 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C(=O)NC)CC2)c1 ZINC001295499989 1063533313 /nfs/dbraw/zinc/53/33/13/1063533313.db2.gz IRJWTHLAGKQMBD-JOCHJYFZSA-N 1 0 454.619 2.635 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001295500855 1063534803 /nfs/dbraw/zinc/53/48/03/1063534803.db2.gz SKYNBMFQQFRMEJ-SIKLNZKXSA-N 1 0 454.619 2.729 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cccc(C)n3)nnc2N(C)CC(=O)N2CCOCC2)c1 ZINC001295501109 1063534820 /nfs/dbraw/zinc/53/48/20/1063534820.db2.gz VHKANQILDFPODM-UHFFFAOYSA-N 1 0 491.640 2.834 20 0 JFADRO CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C[NH+](CC)CC)c2)C[C@@H]1C ZINC001295501309 1063535131 /nfs/dbraw/zinc/53/51/31/1063535131.db2.gz XHYZBXSTYKKDJC-NZQKXSOJSA-N 1 0 488.702 2.601 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)c1 ZINC001295501184 1063535202 /nfs/dbraw/zinc/53/52/02/1063535202.db2.gz WWFUELCFAPAYFN-QFIPXVFZSA-N 1 0 461.614 2.856 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001295502448 1063537114 /nfs/dbraw/zinc/53/71/14/1063537114.db2.gz GFMIZTUEIYNYJX-FQEVSTJZSA-N 1 0 461.614 2.821 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC)C1 ZINC001295503799 1063538910 /nfs/dbraw/zinc/53/89/10/1063538910.db2.gz OCXGGOKWRWSBEF-FQEVSTJZSA-N 1 0 454.619 2.934 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC001295503555 1063539002 /nfs/dbraw/zinc/53/90/02/1063539002.db2.gz MSXSSEGREWUOFB-QFIPXVFZSA-N 1 0 467.662 2.918 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 ZINC001295505234 1063540672 /nfs/dbraw/zinc/54/06/72/1063540672.db2.gz ZIVUXTAJGZNULW-GJZGRUSLSA-N 1 0 468.590 2.645 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(F)(F)F)C1 ZINC001295505236 1063540786 /nfs/dbraw/zinc/54/07/86/1063540786.db2.gz ZIVUXTAJGZNULW-LSDHHAIUSA-N 1 0 468.590 2.645 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 ZINC001295505250 1063541251 /nfs/dbraw/zinc/54/12/51/1063541251.db2.gz ZVHNFYUXMUJONR-AEFFLSMTSA-N 1 0 469.055 2.758 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001291254955 1063541773 /nfs/dbraw/zinc/54/17/73/1063541773.db2.gz BCHQETDUYOHYHY-ZCNNSNEGSA-N 1 0 478.638 2.686 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2C)C1 ZINC001295505445 1063541952 /nfs/dbraw/zinc/54/19/52/1063541952.db2.gz DTZULTSTNXVKRJ-LJQANCHMSA-N 1 0 485.658 2.607 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(C)cn2)C1 ZINC001295510171 1063544654 /nfs/dbraw/zinc/54/46/54/1063544654.db2.gz XEBYLRLOKYKVIK-HXUWFJFHSA-N 1 0 485.658 2.722 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001295511519 1063546372 /nfs/dbraw/zinc/54/63/72/1063546372.db2.gz KOCGOVZDOCWOCY-FQEVSTJZSA-N 1 0 464.618 2.597 20 0 JFADRO C[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291256219 1063547117 /nfs/dbraw/zinc/54/71/17/1063547117.db2.gz RJWUNNDHXNAUSI-GGPKGHCWSA-N 1 0 478.638 2.684 20 0 JFADRO C[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291256221 1063547731 /nfs/dbraw/zinc/54/77/31/1063547731.db2.gz RJWUNNDHXNAUSI-NSHGMRRFSA-N 1 0 478.638 2.684 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001295512894 1063547950 /nfs/dbraw/zinc/54/79/50/1063547950.db2.gz BUNMMDSKQYJHEE-HYBUGGRVSA-N 1 0 453.624 2.800 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC001295516013 1063549922 /nfs/dbraw/zinc/54/99/22/1063549922.db2.gz DVEGLNOEPRZXRD-VNYTWHDVSA-N 1 0 467.680 2.552 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001295516067 1063550874 /nfs/dbraw/zinc/55/08/74/1063550874.db2.gz IKJUPQZTAUMBFV-MOPGFXCFSA-N 1 0 485.599 2.672 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001295516100 1063551430 /nfs/dbraw/zinc/55/14/30/1063551430.db2.gz IYGIBANLPQETJC-QZTJIDSGSA-N 1 0 495.550 2.782 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)C1 ZINC001295516367 1063552491 /nfs/dbraw/zinc/55/24/91/1063552491.db2.gz HKPLGMCLPVDDNS-VQTJNVASSA-N 1 0 494.681 2.916 20 0 JFADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC2(CCOCC2)O1 ZINC001291259452 1063552889 /nfs/dbraw/zinc/55/28/89/1063552889.db2.gz SJXPUQBNBSTUNM-RTWAWAEBSA-N 1 0 463.667 2.878 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)(C)C)C1 ZINC001295518609 1063555472 /nfs/dbraw/zinc/55/54/72/1063555472.db2.gz OWUBBBWFELJDJI-FQEVSTJZSA-N 1 0 480.661 2.990 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291261332 1063556579 /nfs/dbraw/zinc/55/65/79/1063556579.db2.gz ZDEVFYWIZUSMFJ-KSSFIOAISA-N 1 0 477.478 2.881 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@](C)(O)CC)C1 ZINC001295521040 1063556950 /nfs/dbraw/zinc/55/69/50/1063556950.db2.gz WSYIHOBYHZMZFX-ZYLNGJIFSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 ZINC001295521055 1063558172 /nfs/dbraw/zinc/55/81/72/1063558172.db2.gz XFVLBHZFBQQCIM-UEKLYDJUSA-N 1 0 496.722 2.776 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001295521481 1063558579 /nfs/dbraw/zinc/55/85/79/1063558579.db2.gz ZLAYJCQDRLLDHM-VXKWHMMOSA-N 1 0 454.619 2.609 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001295521378 1063558591 /nfs/dbraw/zinc/55/85/91/1063558591.db2.gz ZDSDYMCXQYXSBR-IRLDBZIGSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001295521482 1063558625 /nfs/dbraw/zinc/55/86/25/1063558625.db2.gz ZLAYJCQDRLLDHM-YADHBBJMSA-N 1 0 454.619 2.609 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncn(C)n2)C1 ZINC001295521321 1063558639 /nfs/dbraw/zinc/55/86/39/1063558639.db2.gz BJJYCVVDVOXCKJ-HXUWFJFHSA-N 1 0 452.607 2.819 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295522621 1063559226 /nfs/dbraw/zinc/55/92/26/1063559226.db2.gz LDBLACOWUBNQMU-IBGZPJMESA-N 1 0 477.654 2.692 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001295523125 1063559765 /nfs/dbraw/zinc/55/97/65/1063559765.db2.gz OQXPWRRNMJOLBJ-OAQYLSRUSA-N 1 0 458.582 2.963 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(C)(C)O)C1 ZINC001295523186 1063559912 /nfs/dbraw/zinc/55/99/12/1063559912.db2.gz PZMCSXWOIPNHFM-QRVBRYPASA-N 1 0 464.655 2.988 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001295524305 1063562084 /nfs/dbraw/zinc/56/20/84/1063562084.db2.gz IDTIAKGKAKATAI-XLIONFOSSA-N 1 0 463.026 2.801 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001295524887 1063563151 /nfs/dbraw/zinc/56/31/51/1063563151.db2.gz QADSOQUFVSXTAI-UXHICEINSA-N 1 0 470.574 2.993 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001295525120 1063563422 /nfs/dbraw/zinc/56/34/22/1063563422.db2.gz UDTFZFWMAKVOAZ-GOSISDBHSA-N 1 0 491.438 2.870 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001295525386 1063563550 /nfs/dbraw/zinc/56/35/50/1063563550.db2.gz VTJAVWIKMRQZBK-QGZVFWFLSA-N 1 0 482.555 2.730 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295525470 1063564108 /nfs/dbraw/zinc/56/41/08/1063564108.db2.gz XIBYJPCUZBMEJE-UYAOXDASSA-N 1 0 473.597 2.845 20 0 JFADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001291265140 1063565343 /nfs/dbraw/zinc/56/53/43/1063565343.db2.gz OXCBSEDQJABUQF-QUCCMNQESA-N 1 0 457.623 2.954 20 0 JFADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291265138 1063565381 /nfs/dbraw/zinc/56/53/81/1063565381.db2.gz OXCBSEDQJABUQF-AZUAARDMSA-N 1 0 457.623 2.954 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295529174 1063566711 /nfs/dbraw/zinc/56/67/11/1063566711.db2.gz CIXPAXFCKATRNP-MOPGFXCFSA-N 1 0 472.590 2.629 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001295530841 1063567318 /nfs/dbraw/zinc/56/73/18/1063567318.db2.gz OULGNXZMVUWIJU-FQEVSTJZSA-N 1 0 453.595 2.514 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001295532631 1063569258 /nfs/dbraw/zinc/56/92/58/1063569258.db2.gz JYPVIWVSIDULGU-UHFFFAOYSA-N 1 0 470.647 2.871 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001295533057 1063569715 /nfs/dbraw/zinc/56/97/15/1063569715.db2.gz ORNJJJDYAYNFPM-KRWDZBQOSA-N 1 0 467.540 2.885 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC001295533776 1063570564 /nfs/dbraw/zinc/57/05/64/1063570564.db2.gz ZCDVMPNJTUUMTI-NRFANRHFSA-N 1 0 454.623 2.734 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001295534759 1063571522 /nfs/dbraw/zinc/57/15/22/1063571522.db2.gz QAZBMDMHLRPPLZ-FPOVZHCZSA-N 1 0 472.638 2.649 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295534055 1063571538 /nfs/dbraw/zinc/57/15/38/1063571538.db2.gz JBWOXOZXLIYZKZ-VQTJNVASSA-N 1 0 480.654 2.982 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001295534482 1063571640 /nfs/dbraw/zinc/57/16/40/1063571640.db2.gz ORDGDFUCJDQQFA-SFHVURJKSA-N 1 0 467.618 2.928 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295535044 1063572029 /nfs/dbraw/zinc/57/20/29/1063572029.db2.gz RYRRYFWEWQPAQU-QFIPXVFZSA-N 1 0 481.645 2.668 20 0 JFADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001295541275 1063576078 /nfs/dbraw/zinc/57/60/78/1063576078.db2.gz IOUPRNOOXOWOQL-IRLDBZIGSA-N 1 0 461.699 2.587 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001295543401 1063578134 /nfs/dbraw/zinc/57/81/34/1063578134.db2.gz HLABCYFZBNRVMI-LJQANCHMSA-N 1 0 465.602 2.519 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](OC)C1 ZINC001295543662 1063578592 /nfs/dbraw/zinc/57/85/92/1063578592.db2.gz ZFIKULRNPGTEBH-NRFANRHFSA-N 1 0 456.639 2.799 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001295544217 1063579410 /nfs/dbraw/zinc/57/94/10/1063579410.db2.gz NDZYCRJCFSZGON-RUZDIDTESA-N 1 0 454.619 2.922 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2C)nnc1N1CCOC2(CCOCC2)C1 ZINC001295545981 1063581332 /nfs/dbraw/zinc/58/13/32/1063581332.db2.gz WWQDQYOAXGGYFI-UHFFFAOYSA-N 1 0 457.619 2.998 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295546572 1063581699 /nfs/dbraw/zinc/58/16/99/1063581699.db2.gz ZWXDPWYHVBYPDQ-MOPGFXCFSA-N 1 0 498.694 2.705 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001291275182 1063582378 /nfs/dbraw/zinc/58/23/78/1063582378.db2.gz NTHQHIVEQQIKGM-SZPZYZBQSA-N 1 0 470.662 2.787 20 0 JFADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001291275183 1063582540 /nfs/dbraw/zinc/58/25/40/1063582540.db2.gz NTHQHIVEQQIKGM-VXKWHMMOSA-N 1 0 470.662 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001295550129 1063582773 /nfs/dbraw/zinc/58/27/73/1063582773.db2.gz DOZCTCSAKVTAIT-DYXWJJEUSA-N 1 0 467.618 2.592 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001295550168 1063582824 /nfs/dbraw/zinc/58/28/24/1063582824.db2.gz DXZBTCKWQKDOQD-QZTJIDSGSA-N 1 0 476.647 2.618 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001295550482 1063583231 /nfs/dbraw/zinc/58/32/31/1063583231.db2.gz JACNJGIVXOUUIX-IEBWSBKVSA-N 1 0 490.052 2.554 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001295550421 1063583256 /nfs/dbraw/zinc/58/32/56/1063583256.db2.gz GDZAHVGFCOCATH-HLIPFELVSA-N 1 0 464.636 2.666 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001295550600 1063583748 /nfs/dbraw/zinc/58/37/48/1063583748.db2.gz JREHLOZPDSASQI-HXUWFJFHSA-N 1 0 499.635 2.736 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291276129 1063584800 /nfs/dbraw/zinc/58/48/00/1063584800.db2.gz GTPGCTQRTKDTBM-ROUUACIJSA-N 1 0 472.556 2.823 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCC[NH+]2CCCC2)C[C@H](C(F)(F)F)O1 ZINC001291276130 1063584818 /nfs/dbraw/zinc/58/48/18/1063584818.db2.gz GTPGCTQRTKDTBM-ZWKOTPCHSA-N 1 0 472.556 2.823 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001295551799 1063585112 /nfs/dbraw/zinc/58/51/12/1063585112.db2.gz VQTGCJWKEMVDHT-FUMNGEBKSA-N 1 0 479.622 2.669 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001295552148 1063585188 /nfs/dbraw/zinc/58/51/88/1063585188.db2.gz XKRLSXVDUDSEKM-IAGOWNOFSA-N 1 0 470.603 2.690 20 0 JFADRO C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC001291276207 1063585288 /nfs/dbraw/zinc/58/52/88/1063585288.db2.gz ICWUDTLMBXEXLN-OALUTQOASA-N 1 0 472.659 2.719 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295554443 1063588847 /nfs/dbraw/zinc/58/88/47/1063588847.db2.gz BJBRXXZISPRCOI-MSOLQXFVSA-N 1 0 461.586 2.749 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001295555066 1063589265 /nfs/dbraw/zinc/58/92/65/1063589265.db2.gz PQVMNTBGARXGCY-LJQANCHMSA-N 1 0 480.617 2.809 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOC(C)(C)C1 ZINC001295555201 1063589781 /nfs/dbraw/zinc/58/97/81/1063589781.db2.gz VEWYVENGMCWOFC-QGZVFWFLSA-N 1 0 477.679 2.892 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001291277478 1063590545 /nfs/dbraw/zinc/59/05/45/1063590545.db2.gz DUCCALFXFFIUTJ-KSFYIVLOSA-N 1 0 494.434 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC001295560074 1063592982 /nfs/dbraw/zinc/59/29/82/1063592982.db2.gz PKMUDELYJZSAAU-FGTMMUONSA-N 1 0 458.611 2.850 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC001295560700 1063593958 /nfs/dbraw/zinc/59/39/58/1063593958.db2.gz XPYGNTVDRQPPJS-VQIMIIECSA-N 1 0 487.674 2.728 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CCOC2)C1 ZINC001295564220 1063597479 /nfs/dbraw/zinc/59/74/79/1063597479.db2.gz RZWYRVBMKYTYQR-OHUGHZGNSA-N 1 0 492.665 2.934 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](COC)C1 ZINC001295564364 1063597813 /nfs/dbraw/zinc/59/78/13/1063597813.db2.gz AEFZVETXWFOSPG-WOJBJXKFSA-N 1 0 456.639 2.655 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001295566338 1063599918 /nfs/dbraw/zinc/59/99/18/1063599918.db2.gz SOJSTXOONCNCCO-GGPKGHCWSA-N 1 0 473.618 2.973 20 0 JFADRO C[C@@H]1OCC[C@]12CN(c1nnc(COc3ccc(Cl)cc3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291280166 1063601801 /nfs/dbraw/zinc/60/18/01/1063601801.db2.gz BBNPFGYBLOMUGM-IMWIBFENSA-N 1 0 494.036 2.861 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001295570122 1063604848 /nfs/dbraw/zinc/60/48/48/1063604848.db2.gz KMYNSUJKDSSBDY-AUSIDOKSSA-N 1 0 497.644 2.662 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295570322 1063604973 /nfs/dbraw/zinc/60/49/73/1063604973.db2.gz NHNAVIYKZTXSQN-AABGKKOBSA-N 1 0 491.681 2.870 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(Cc4cccnc4)n3C[C@@H](C)[NH+](CC)CC)CCO2)cn1 ZINC001295569979 1063604988 /nfs/dbraw/zinc/60/49/88/1063604988.db2.gz ZFZDDPRNBQRSBF-DENIHFKCSA-N 1 0 452.607 2.789 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001295570334 1063605818 /nfs/dbraw/zinc/60/58/18/1063605818.db2.gz NLPJHBKDNVDPBR-HXUWFJFHSA-N 1 0 473.670 2.500 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001295570360 1063605901 /nfs/dbraw/zinc/60/59/01/1063605901.db2.gz ORWKZGAYRQPXMX-JOCHJYFZSA-N 1 0 483.661 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001295572593 1063610081 /nfs/dbraw/zinc/61/00/81/1063610081.db2.gz KXTCUYALVVJNPL-RDGPPVDQSA-N 1 0 476.588 2.805 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 ZINC001295572353 1063610108 /nfs/dbraw/zinc/61/01/08/1063610108.db2.gz ITLWKFBHKUMUSB-AQNXPRMDSA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCCC2)CC1 ZINC001295572958 1063610829 /nfs/dbraw/zinc/61/08/29/1063610829.db2.gz QQNHQNQZBFNHKE-HJNYFJLDSA-N 1 0 476.666 2.571 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295573688 1063612241 /nfs/dbraw/zinc/61/22/41/1063612241.db2.gz ZZVYYBJTMAACBR-UAFMIMERSA-N 1 0 469.696 2.940 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001291285789 1063627695 /nfs/dbraw/zinc/62/76/95/1063627695.db2.gz XRLKSJJOVCUHAK-XUVXKRRUSA-N 1 0 492.665 2.714 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295595978 1063640885 /nfs/dbraw/zinc/64/08/85/1063640885.db2.gz XMOCJAFGTZSXCJ-QFIPXVFZSA-N 1 0 482.608 2.787 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C[C@@H](C)O1 ZINC001291287727 1063642281 /nfs/dbraw/zinc/64/22/81/1063642281.db2.gz GZUJXXQQFLZFBC-RTBURBONSA-N 1 0 491.036 2.588 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295599162 1063642964 /nfs/dbraw/zinc/64/29/64/1063642964.db2.gz IIBRVYYEPKDCEB-IBGZPJMESA-N 1 0 451.575 2.739 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291287831 1063644281 /nfs/dbraw/zinc/64/42/81/1063644281.db2.gz IGWRCEANWGCHSH-QHAWAJNXSA-N 1 0 476.666 2.797 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291287830 1063644321 /nfs/dbraw/zinc/64/43/21/1063644321.db2.gz IGWRCEANWGCHSH-NJYVYQBISA-N 1 0 476.666 2.797 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291287940 1063644807 /nfs/dbraw/zinc/64/48/07/1063644807.db2.gz KKHOSEUUFWEIDY-QGZVFWFLSA-N 1 0 483.585 2.616 20 0 JFADRO C[N@H+]1CC=C(CNC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)CC1 ZINC001295600737 1063646028 /nfs/dbraw/zinc/64/60/28/1063646028.db2.gz GNLPUDZCHWCXQB-UHFFFAOYSA-N 1 0 453.568 2.969 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCc2cccs2)C[C@H](C)O1 ZINC001291288072 1063646037 /nfs/dbraw/zinc/64/60/37/1063646037.db2.gz MUYSWLBCOJCFIF-KDURUIRLSA-N 1 0 460.648 2.754 20 0 JFADRO C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291288260 1063647848 /nfs/dbraw/zinc/64/78/48/1063647848.db2.gz PFVAZRAWJLOYKD-QRVBRYPASA-N 1 0 475.663 2.710 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001291288417 1063649552 /nfs/dbraw/zinc/64/95/52/1063649552.db2.gz SDLKVIKCMGYTPV-CJFMBICVSA-N 1 0 454.619 2.632 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCC(=O)N2)n1CC1([NH+](C)C)CCC1 ZINC001295605720 1063652213 /nfs/dbraw/zinc/65/22/13/1063652213.db2.gz RBMHSFDAWVNMKD-IBGZPJMESA-N 1 0 456.591 2.757 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291290342 1063663863 /nfs/dbraw/zinc/66/38/63/1063663863.db2.gz YPASRWRIPJDTOV-QZTJIDSGSA-N 1 0 461.010 2.766 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001291291327 1063670251 /nfs/dbraw/zinc/67/02/51/1063670251.db2.gz NCMQQDIYVNYUOB-YSFYHYPLSA-N 1 0 476.666 2.760 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291291399 1063670329 /nfs/dbraw/zinc/67/03/29/1063670329.db2.gz OKLQZKCVBMLKMC-GUDVDZBRSA-N 1 0 481.601 2.800 20 0 JFADRO CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295625101 1063670591 /nfs/dbraw/zinc/67/05/91/1063670591.db2.gz IEAGTFLPHGZNKS-PKOBYXMFSA-N 1 0 466.627 2.928 20 0 JFADRO CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295625100 1063670626 /nfs/dbraw/zinc/67/06/26/1063670626.db2.gz IEAGTFLPHGZNKS-MJGOQNOKSA-N 1 0 466.627 2.928 20 0 JFADRO CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295625098 1063670658 /nfs/dbraw/zinc/67/06/58/1063670658.db2.gz IEAGTFLPHGZNKS-HKUYNNGSSA-N 1 0 466.627 2.928 20 0 JFADRO CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295625099 1063670666 /nfs/dbraw/zinc/67/06/66/1063670666.db2.gz IEAGTFLPHGZNKS-IEBWSBKVSA-N 1 0 466.627 2.928 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291789 1063671932 /nfs/dbraw/zinc/67/19/32/1063671932.db2.gz UYFRDQOPGVFOJF-PZJWPPBQSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCOc2ccccc2Cl)C[C@H](C)O1 ZINC001291291899 1063673586 /nfs/dbraw/zinc/67/35/86/1063673586.db2.gz VXOINQBIMVOGRB-WSTZPKSXSA-N 1 0 491.036 2.897 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC001291292117 1063674163 /nfs/dbraw/zinc/67/41/63/1063674163.db2.gz ZBMFQTQLDCNBML-JFIYKMOQSA-N 1 0 455.529 2.957 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001291292430 1063675745 /nfs/dbraw/zinc/67/57/45/1063675745.db2.gz DHMGHCAMTIMBCL-HDICACEKSA-N 1 0 473.025 2.787 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@@H](C)O1 ZINC001291292431 1063675819 /nfs/dbraw/zinc/67/58/19/1063675819.db2.gz DHMGHCAMTIMBCL-QZTJIDSGSA-N 1 0 473.025 2.787 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291292412 1063675847 /nfs/dbraw/zinc/67/58/47/1063675847.db2.gz DBNXBXHMWJXXMH-RBUKOAKNSA-N 1 0 475.037 2.690 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@H](C)O1 ZINC001291292591 1063677011 /nfs/dbraw/zinc/67/70/11/1063677011.db2.gz GOUWEQHAFDJVSY-QLDGJZPUSA-N 1 0 463.573 2.854 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001295635030 1063677521 /nfs/dbraw/zinc/67/75/21/1063677521.db2.gz BYLXCUIAZNEUDI-AEFFLSMTSA-N 1 0 466.677 2.993 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCO1 ZINC001291292849 1063679152 /nfs/dbraw/zinc/67/91/52/1063679152.db2.gz KIDPTJMVEPNULY-FQEVSTJZSA-N 1 0 477.698 2.998 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccco2)C[C@H](C)O1 ZINC001291292981 1063680076 /nfs/dbraw/zinc/68/00/76/1063680076.db2.gz MOWZLNSDLNDNSI-ROUUACIJSA-N 1 0 472.615 2.998 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(Cc3ccsc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291292997 1063680795 /nfs/dbraw/zinc/68/07/95/1063680795.db2.gz MRHCQCITMYTENW-ROUUACIJSA-N 1 0 460.648 2.522 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCC(CO)CC2)C[C@H](C)O1 ZINC001291293016 1063680878 /nfs/dbraw/zinc/68/08/78/1063680878.db2.gz NLMIWUXZNNVGMW-OYRHEFFESA-N 1 0 457.619 2.608 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291293149 1063682708 /nfs/dbraw/zinc/68/27/08/1063682708.db2.gz PPXKDDBIWABCEK-DMUMMCEESA-N 1 0 482.551 2.919 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291293151 1063682772 /nfs/dbraw/zinc/68/27/72/1063682772.db2.gz PPXKDDBIWABCEK-HLNWXESRSA-N 1 0 482.551 2.919 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001291293233 1063683819 /nfs/dbraw/zinc/68/38/19/1063683819.db2.gz RETLGLKTABTMOJ-FQEVSTJZSA-N 1 0 474.675 2.736 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@@H](C)O1 ZINC001291293420 1063684444 /nfs/dbraw/zinc/68/44/44/1063684444.db2.gz UQMVTRCMQWACKZ-RTBURBONSA-N 1 0 474.625 2.858 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295642765 1063685311 /nfs/dbraw/zinc/68/53/11/1063685311.db2.gz UPVXXUGALSJVGI-ICSRJNTNSA-N 1 0 496.703 2.573 20 0 JFADRO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001295646155 1063687655 /nfs/dbraw/zinc/68/76/55/1063687655.db2.gz BPYKPTYOZQMEGG-RTBURBONSA-N 1 0 460.648 2.988 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001295646810 1063688297 /nfs/dbraw/zinc/68/82/97/1063688297.db2.gz MNLFQSOWFDBSAL-IBGZPJMESA-N 1 0 465.606 2.806 20 0 JFADRO C[C@H]1C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCCS(C)(=O)=O)C[C@H](C)O1 ZINC001291294239 1063688451 /nfs/dbraw/zinc/68/84/51/1063688451.db2.gz GWBYFVPUDPNDJC-UWHLTILDSA-N 1 0 499.722 2.567 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CCCO1 ZINC001291295412 1063694972 /nfs/dbraw/zinc/69/49/72/1063694972.db2.gz YSLGTWZXPXYMNU-ZWKOTPCHSA-N 1 0 492.562 2.653 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295522 1063696291 /nfs/dbraw/zinc/69/62/91/1063696291.db2.gz ACPJNHIPJZMYRN-PXNSSMCTSA-N 1 0 463.623 2.894 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(OC)cc2OC)n1CC[N@H+]1CC=CCC1 ZINC001295653843 1063697917 /nfs/dbraw/zinc/69/79/17/1063697917.db2.gz ROJBGMXJJLZQCF-UHFFFAOYSA-N 1 0 451.575 2.984 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)[NH+](C)C ZINC001295663395 1063706663 /nfs/dbraw/zinc/70/66/63/1063706663.db2.gz SNKRAASUYRSHHH-GOSISDBHSA-N 1 0 456.620 2.525 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291301745 1063710289 /nfs/dbraw/zinc/71/02/89/1063710289.db2.gz JUXKLHIENZZAPC-APWZRJJASA-N 1 0 464.408 2.780 20 0 JFADRO C[C@@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291310767 1063740507 /nfs/dbraw/zinc/74/05/07/1063740507.db2.gz HOZFQYRTSLFJIE-AEFFLSMTSA-N 1 0 478.066 2.878 20 0 JFADRO C[C@@H]1N(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC[NH+](C)C)CCOC1(C)C ZINC001291316089 1063749479 /nfs/dbraw/zinc/74/94/79/1063749479.db2.gz MQOBFCDZRFLFLQ-AWEZNQCLSA-N 1 0 455.401 2.618 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295741438 1063749634 /nfs/dbraw/zinc/74/96/34/1063749634.db2.gz XVXVCCYLXRDOOT-UNMCSNQZSA-N 1 0 469.634 2.597 20 0 JFADRO C[C@H]1N(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCOC1(C)C ZINC001291316878 1063752571 /nfs/dbraw/zinc/75/25/71/1063752571.db2.gz CDPDMBIWUDNYGW-TZIWHRDSSA-N 1 0 454.619 2.892 20 0 JFADRO C[C@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1(C)C ZINC001291319743 1063758453 /nfs/dbraw/zinc/75/84/53/1063758453.db2.gz FFWBULRTHWQALZ-OPAMFIHVSA-N 1 0 478.688 2.711 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C[NH+](C)C ZINC001295754002 1063760195 /nfs/dbraw/zinc/76/01/95/1063760195.db2.gz VAPMIIFZWYPURR-FQEVSTJZSA-N 1 0 453.595 2.514 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1)CC(F)(F)F ZINC001295758702 1063762652 /nfs/dbraw/zinc/76/26/52/1063762652.db2.gz AFDVZJAADNGNKY-GBXCKJPGSA-N 1 0 494.606 2.954 20 0 JFADRO C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291322892 1063768376 /nfs/dbraw/zinc/76/83/76/1063768376.db2.gz BVAQSJDMRNVIEK-HXOBKFHXSA-N 1 0 464.010 2.971 20 0 JFADRO C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291322891 1063768462 /nfs/dbraw/zinc/76/84/62/1063768462.db2.gz BVAQSJDMRNVIEK-GAJHUEQPSA-N 1 0 464.010 2.971 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CC=CCC2)C1)CC(F)(F)F ZINC001295764097 1063770461 /nfs/dbraw/zinc/77/04/61/1063770461.db2.gz RKTWDDBWIHCHQY-GOSISDBHSA-N 1 0 466.556 2.651 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)[NH+](C)C)C1)CC(F)(F)F ZINC001295764961 1063772060 /nfs/dbraw/zinc/77/20/60/1063772060.db2.gz XUFLSDLHHGJARX-HZPDHXFCSA-N 1 0 485.555 2.666 20 0 JFADRO CCN(C[C@@H]1COc2ccccc2O1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001295773894 1063782691 /nfs/dbraw/zinc/78/26/91/1063782691.db2.gz GYHMRDDNOKREEN-VAMGGRTRSA-N 1 0 470.618 2.872 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001291332999 1063788622 /nfs/dbraw/zinc/78/86/22/1063788622.db2.gz DRXNIVRLNXMWAN-HSZRJFAPSA-N 1 0 495.672 2.946 20 0 JFADRO CCN(CCCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1)S(C)(=O)=O ZINC001295805317 1063794797 /nfs/dbraw/zinc/79/47/97/1063794797.db2.gz CNICAFZREHQRDC-FQEVSTJZSA-N 1 0 481.066 2.945 20 0 JFADRO CCN(CCCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](C(C)C)CC1)S(C)(=O)=O ZINC001295809340 1063802818 /nfs/dbraw/zinc/80/28/18/1063802818.db2.gz AYDKHGYTOFGUSH-UHFFFAOYSA-N 1 0 478.663 2.546 20 0 JFADRO CCN(CCCn1c(-c2ccccc2F)nnc1N1CCC[N@@H+](C(C)C)CC1)S(C)(=O)=O ZINC001295809994 1063804127 /nfs/dbraw/zinc/80/41/27/1063804127.db2.gz HWTWBXKDZSHFAO-UHFFFAOYSA-N 1 0 466.627 2.676 20 0 JFADRO CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)S(C)(=O)=O ZINC001295811405 1063810395 /nfs/dbraw/zinc/81/03/95/1063810395.db2.gz VEQMJAMZDIATHO-HRTMPFAESA-N 1 0 496.722 2.892 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001291339719 1063814611 /nfs/dbraw/zinc/81/46/11/1063814611.db2.gz SWXKXURWBBXKHT-MOPGFXCFSA-N 1 0 458.582 2.548 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001291340042 1063816080 /nfs/dbraw/zinc/81/60/80/1063816080.db2.gz AJVACKYTNYYSCK-LJQANCHMSA-N 1 0 469.634 2.725 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001291341250 1063820856 /nfs/dbraw/zinc/82/08/56/1063820856.db2.gz ZYBNYKGRSIGGAV-WMZOPIPTSA-N 1 0 454.604 2.595 20 0 JFADRO 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CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001296079408 1064146463 /nfs/dbraw/zinc/14/64/63/1064146463.db2.gz FXFREUPRBWPKSY-IRLDBZIGSA-N 1 0 470.618 2.575 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079642 1064147287 /nfs/dbraw/zinc/14/72/87/1064147287.db2.gz HJTOLBUZAVBLSB-UNMCSNQZSA-N 1 0 459.683 2.845 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001296080215 1064147606 /nfs/dbraw/zinc/14/76/06/1064147606.db2.gz LEPREPJUWISWFE-OTWHNJEPSA-N 1 0 470.684 2.547 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296081431 1064149277 /nfs/dbraw/zinc/14/92/77/1064149277.db2.gz UBZVWYUHDRXRJF-MJGOQNOKSA-N 1 0 450.591 2.910 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 ZINC001296082047 1064149815 /nfs/dbraw/zinc/14/98/15/1064149815.db2.gz ZTUNJVACRADCHJ-PMACEKPBSA-N 1 0 488.608 2.727 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296083468 1064151323 /nfs/dbraw/zinc/15/13/23/1064151323.db2.gz FOEMZGLHFXIQFF-MSOLQXFVSA-N 1 0 456.595 2.713 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614182 1064151341 /nfs/dbraw/zinc/15/13/41/1064151341.db2.gz IINSLPAKGOOZIF-AQNXPRMDSA-N 1 0 456.639 2.716 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291614505 1064151732 /nfs/dbraw/zinc/15/17/32/1064151732.db2.gz LVSFUKQPBYFHFR-OAQYLSRUSA-N 1 0 469.682 2.634 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC(N)=O ZINC001296086392 1064154383 /nfs/dbraw/zinc/15/43/83/1064154383.db2.gz IESKAMCIESRKBV-VAMGGRTRSA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291618654 1064156091 /nfs/dbraw/zinc/15/60/91/1064156091.db2.gz HSJQNZMSBZPFJX-MJGOQNOKSA-N 1 0 482.658 2.977 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291618653 1064156094 /nfs/dbraw/zinc/15/60/94/1064156094.db2.gz HSJQNZMSBZPFJX-IEBWSBKVSA-N 1 0 482.658 2.977 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291618655 1064156104 /nfs/dbraw/zinc/15/61/04/1064156104.db2.gz HSJQNZMSBZPFJX-PKOBYXMFSA-N 1 0 482.658 2.977 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291620865 1064160361 /nfs/dbraw/zinc/16/03/61/1064160361.db2.gz KYDGKYATAFYRDX-OAQYLSRUSA-N 1 0 491.750 2.754 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001296089559 1064161107 /nfs/dbraw/zinc/16/11/07/1064161107.db2.gz PWWLEIRFDSXIKO-LJQANCHMSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1CC[N@H+](CC)C(C)C ZINC001291621547 1064161958 /nfs/dbraw/zinc/16/19/58/1064161958.db2.gz VFCKPROPIPXXJU-OALUTQOASA-N 1 0 454.627 2.675 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622321 1064162943 /nfs/dbraw/zinc/16/29/43/1064162943.db2.gz VKKRWRFPFRJACY-MSOLQXFVSA-N 1 0 455.607 2.883 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001296091754 1064163081 /nfs/dbraw/zinc/16/30/81/1064163081.db2.gz BPZOVAXPZKOZKT-PZJWPPBQSA-N 1 0 459.664 2.813 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCC[NH+]1CCCC1 ZINC001291625791 1064165546 /nfs/dbraw/zinc/16/55/46/1064165546.db2.gz HMYITBXVUSLJBR-FGZHOGPDSA-N 1 0 459.683 2.801 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001296094662 1064166683 /nfs/dbraw/zinc/16/66/83/1064166683.db2.gz CTOVDTPBLACOSN-FUPPJEDESA-N 1 0 485.629 2.709 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001296095037 1064167555 /nfs/dbraw/zinc/16/75/55/1064167555.db2.gz GMPUVHCRCFBKKU-UFYCRDLUSA-N 1 0 489.665 2.891 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095277 1064168351 /nfs/dbraw/zinc/16/83/51/1064168351.db2.gz GFNYVBVLVVFQGS-HFSMHLIXSA-N 1 0 476.647 2.849 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095378 1064168572 /nfs/dbraw/zinc/16/85/72/1064168572.db2.gz IMAWYVAWZARIFN-QUCCMNQESA-N 1 0 458.582 2.928 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001296095624 1064168609 /nfs/dbraw/zinc/16/86/09/1064168609.db2.gz JFCPSYVDSRRYDI-NRFANRHFSA-N 1 0 470.666 2.830 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1C[C@H](C)[NH+](CC)CC ZINC001291627763 1064169697 /nfs/dbraw/zinc/16/96/97/1064169697.db2.gz GAQGFDAEYSWLLV-OALUTQOASA-N 1 0 486.690 2.914 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296096063 1064169636 /nfs/dbraw/zinc/16/96/36/1064169636.db2.gz LITOCJFIWIBCCP-QIJUGHKUSA-N 1 0 459.591 2.590 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001296098368 1064171210 /nfs/dbraw/zinc/17/12/10/1064171210.db2.gz XKHOTUBTGAMCOI-UUOWRZLLSA-N 1 0 458.582 2.833 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291629706 1064174024 /nfs/dbraw/zinc/17/40/24/1064174024.db2.gz RCPJPEMPCJNVAI-FQEVSTJZSA-N 1 0 455.651 2.548 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[N@H+](CC)C1CC1 ZINC001291630262 1064175904 /nfs/dbraw/zinc/17/59/04/1064175904.db2.gz RYXCZEIZIAZPTM-NHCUHLMSSA-N 1 0 459.683 2.799 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291631611 1064178662 /nfs/dbraw/zinc/17/86/62/1064178662.db2.gz YEHQUWRHLWOCOF-NRFANRHFSA-N 1 0 454.619 2.671 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001291631516 1064178703 /nfs/dbraw/zinc/17/87/03/1064178703.db2.gz WBUPZAXMFXNHDP-VXKWHMMOSA-N 1 0 459.683 2.801 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001291633186 1064182688 /nfs/dbraw/zinc/18/26/88/1064182688.db2.gz RELLRZAKOAMYAS-WZYRSQIMSA-N 1 0 473.710 2.950 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001296105872 1064184519 /nfs/dbraw/zinc/18/45/19/1064184519.db2.gz NAENMHQGWIMBJK-SFHVURJKSA-N 1 0 461.010 2.504 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291638449 1064185730 /nfs/dbraw/zinc/18/57/30/1064185730.db2.gz MWTKQZLPGAFUNV-RXVVDRJESA-N 1 0 461.680 2.726 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1C[C@H](C)[NH+](C)C ZINC001291639005 1064186583 /nfs/dbraw/zinc/18/65/83/1064186583.db2.gz LCJFEIOGMSMRAU-ROUUACIJSA-N 1 0 452.607 2.713 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639694 1064187484 /nfs/dbraw/zinc/18/74/84/1064187484.db2.gz OCCZRUCMYACDPO-MOPGFXCFSA-N 1 0 476.588 2.949 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3nc(COC)no3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291639733 1064187987 /nfs/dbraw/zinc/18/79/87/1064187987.db2.gz OLKBAWSRNMINQW-VQTJNVASSA-N 1 0 474.654 2.764 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC001296108948 1064187933 /nfs/dbraw/zinc/18/79/33/1064187933.db2.gz VKHWXUDHJFSLOW-QFIPXVFZSA-N 1 0 463.586 2.710 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001291643399 1064193769 /nfs/dbraw/zinc/19/37/69/1064193769.db2.gz OPLLMMQJIQCFAE-PCCBWWKXSA-N 1 0 480.723 2.754 20 0 JFADRO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001296114529 1064195393 /nfs/dbraw/zinc/19/53/93/1064195393.db2.gz YQSFJCHPHKPDIE-ISKFKSNPSA-N 1 0 453.558 2.624 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001291644299 1064197404 /nfs/dbraw/zinc/19/74/04/1064197404.db2.gz WFRGQLDHDFEGBG-DXBBTUNJSA-N 1 0 480.723 2.611 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccccc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296119528 1064205223 /nfs/dbraw/zinc/20/52/23/1064205223.db2.gz FTGYYOZUTLZOOT-HXUWFJFHSA-N 1 0 470.618 2.656 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296120078 1064207883 /nfs/dbraw/zinc/20/78/83/1064207883.db2.gz DJRZTKJWUAXVKU-IEBWSBKVSA-N 1 0 464.561 2.798 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001296120232 1064208518 /nfs/dbraw/zinc/20/85/18/1064208518.db2.gz GJRLNVDAUJTJAH-VQTJNVASSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296120520 1064210159 /nfs/dbraw/zinc/21/01/59/1064210159.db2.gz IZIHEAPIPNRVIM-QZTJIDSGSA-N 1 0 477.604 2.918 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296120564 1064210575 /nfs/dbraw/zinc/21/05/75/1064210575.db2.gz JOQDHXTWRXCZNC-SJLPKXTDSA-N 1 0 480.455 2.677 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001296121261 1064212828 /nfs/dbraw/zinc/21/28/28/1064212828.db2.gz NJHDGHNBSWDBPY-XUVXKRRUSA-N 1 0 454.623 2.576 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC2(c3ccccc3)CC2)CC1 ZINC001296122117 1064214095 /nfs/dbraw/zinc/21/40/95/1064214095.db2.gz UCHGXBKODUPFNG-OAQYLSRUSA-N 1 0 467.662 2.610 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291672383 1064214153 /nfs/dbraw/zinc/21/41/53/1064214153.db2.gz QVHVLUKGDZZUBV-CVDCTZTESA-N 1 0 468.646 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC001296122567 1064215005 /nfs/dbraw/zinc/21/50/05/1064215005.db2.gz XTMPBYDRNBDXNL-YOSAUDMPSA-N 1 0 486.661 2.850 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC(F)(F)F)CC1 ZINC001296124394 1064217140 /nfs/dbraw/zinc/21/71/40/1064217140.db2.gz HBQMDHJZKXTPSW-MRXNPFEDSA-N 1 0 470.540 2.987 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124847 1064217781 /nfs/dbraw/zinc/21/77/81/1064217781.db2.gz JWZSWEDJZCBPBG-SFHVURJKSA-N 1 0 474.053 2.587 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296125158 1064217803 /nfs/dbraw/zinc/21/78/03/1064217803.db2.gz LCQJTNDUBREEPV-HXUWFJFHSA-N 1 0 487.649 2.787 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001296124880 1064217873 /nfs/dbraw/zinc/21/78/73/1064217873.db2.gz KFENFFLPIPZVHN-VSKRKVRLSA-N 1 0 456.635 2.520 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291687935 1064218047 /nfs/dbraw/zinc/21/80/47/1064218047.db2.gz KJBAYRABDVQVIP-XMODTWTHSA-N 1 0 462.639 2.694 20 0 JFADRO CC[C@@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291691938 1064218755 /nfs/dbraw/zinc/21/87/55/1064218755.db2.gz GALMVZWPMCSELV-YTZAWJCFSA-N 1 0 462.639 2.742 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001296126444 1064220470 /nfs/dbraw/zinc/22/04/70/1064220470.db2.gz QEPXHEXPZGGYCT-PWRODBHTSA-N 1 0 488.702 2.857 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296127251 1064221648 /nfs/dbraw/zinc/22/16/48/1064221648.db2.gz UJBIDJHUSOAUMY-RDABAPPSSA-N 1 0 497.688 2.863 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296128042 1064222018 /nfs/dbraw/zinc/22/20/18/1064222018.db2.gz XJDOERKBFNNASU-LEWJYISDSA-N 1 0 498.676 2.812 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296128324 1064222306 /nfs/dbraw/zinc/22/23/06/1064222306.db2.gz YBPCJWQIYHOAEH-DLBZAZTESA-N 1 0 494.471 2.945 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296128054 1064222390 /nfs/dbraw/zinc/22/23/90/1064222390.db2.gz XLQUUMHXIKKNIL-JOCHJYFZSA-N 1 0 481.689 2.974 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296128328 1064222465 /nfs/dbraw/zinc/22/24/65/1064222465.db2.gz YBPCJWQIYHOAEH-SJORKVTESA-N 1 0 494.471 2.945 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)CCOc2ccc(C)cc2)CC1 ZINC001296129610 1064222883 /nfs/dbraw/zinc/22/28/83/1064222883.db2.gz AYJPWFCPULZGOJ-YADHBBJMSA-N 1 0 456.635 2.632 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129855 1064223321 /nfs/dbraw/zinc/22/33/21/1064223321.db2.gz BZNVUJPIVSYGSX-RBBKRZOGSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccccc2OC)CC1 ZINC001296129850 1064223342 /nfs/dbraw/zinc/22/33/42/1064223342.db2.gz BWUFLCTXADHCBB-HXUWFJFHSA-N 1 0 451.619 2.987 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291713369 1064224177 /nfs/dbraw/zinc/22/41/77/1064224177.db2.gz HHNPJPGFYVLYBZ-RBUKOAKNSA-N 1 0 477.679 2.689 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CC(F)(F)F)CC1 ZINC001296131382 1064226063 /nfs/dbraw/zinc/22/60/63/1064226063.db2.gz JNVZEMJOGJMWHM-OAHLLOKOSA-N 1 0 478.523 2.618 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001296131632 1064226375 /nfs/dbraw/zinc/22/63/75/1064226375.db2.gz MKJMAQXOJYTRED-QFIPXVFZSA-N 1 0 483.709 2.626 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296131915 1064227544 /nfs/dbraw/zinc/22/75/44/1064227544.db2.gz NAZGQJGAFHXTEQ-HSALFYBXSA-N 1 0 488.599 2.746 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291723648 1064229370 /nfs/dbraw/zinc/22/93/70/1064229370.db2.gz XVLIXGHIKSYJNM-PWRODBHTSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296132601 1064230597 /nfs/dbraw/zinc/23/05/97/1064230597.db2.gz BWSQXTGYERDSDG-NRFANRHFSA-N 1 0 456.635 2.725 20 0 JFADRO CC[C@@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291732975 1064230708 /nfs/dbraw/zinc/23/07/08/1064230708.db2.gz QNRGWLZFOQPREN-OAQYLSRUSA-N 1 0 482.677 2.972 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296132629 1064231043 /nfs/dbraw/zinc/23/10/43/1064231043.db2.gz CGIPUOCPSBWRDX-DHIUTWEWSA-N 1 0 497.688 2.557 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Nc3cnn(C)c3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296132803 1064231653 /nfs/dbraw/zinc/23/16/53/1064231653.db2.gz CYZYWXKEYBFIJX-CQSZACIVSA-N 1 0 462.400 2.539 20 0 JFADRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccccc1OCC(=O)NC ZINC001291744955 1064233298 /nfs/dbraw/zinc/23/32/98/1064233298.db2.gz GGIVIUHPLVHOOX-HSZRJFAPSA-N 1 0 453.583 2.897 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133360 1064233587 /nfs/dbraw/zinc/23/35/87/1064233587.db2.gz TVOKQEGBWGJKPR-VQTJNVASSA-N 1 0 475.682 2.923 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 ZINC001291752338 1064235200 /nfs/dbraw/zinc/23/52/00/1064235200.db2.gz IHWCACBDORNLFF-SFHVURJKSA-N 1 0 475.588 2.849 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296134257 1064235316 /nfs/dbraw/zinc/23/53/16/1064235316.db2.gz XMYLWBHHCBIKOJ-QGZVFWFLSA-N 1 0 475.579 2.594 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296134341 1064235336 /nfs/dbraw/zinc/23/53/36/1064235336.db2.gz NMXQVLXPCSDZGP-IMSXRSKXSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCCc2ccccn2)CC1 ZINC001296134300 1064235354 /nfs/dbraw/zinc/23/53/54/1064235354.db2.gz XYUCCZYGMOHPHP-FGZHOGPDSA-N 1 0 455.651 2.662 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296134380 1064235721 /nfs/dbraw/zinc/23/57/21/1064235721.db2.gz OJZLZSOAXGWMAM-RTBURBONSA-N 1 0 491.731 2.627 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296134344 1064235875 /nfs/dbraw/zinc/23/58/75/1064235875.db2.gz NMXQVLXPCSDZGP-YZUZCNPQSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296134784 1064237171 /nfs/dbraw/zinc/23/71/71/1064237171.db2.gz QIUPWIZVEXXFRY-VXKWHMMOSA-N 1 0 456.635 2.807 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001291754940 1064237405 /nfs/dbraw/zinc/23/74/05/1064237405.db2.gz YMUZNKKBEVGSCZ-RBUKOAKNSA-N 1 0 474.679 2.584 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296134999 1064238000 /nfs/dbraw/zinc/23/80/00/1064238000.db2.gz UMOKBNASRWIWMT-IYXIZZNPSA-N 1 0 462.683 2.827 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296134998 1064238027 /nfs/dbraw/zinc/23/80/27/1064238027.db2.gz UMOKBNASRWIWMT-FUCAVZNHSA-N 1 0 462.683 2.827 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291758603 1064238129 /nfs/dbraw/zinc/23/81/29/1064238129.db2.gz ASWNTNMETHHPDQ-AZUAARDMSA-N 1 0 469.590 2.518 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296135444 1064239123 /nfs/dbraw/zinc/23/91/23/1064239123.db2.gz YKDBSHGABLJDIO-PZJWPPBQSA-N 1 0 496.578 2.959 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCCOC)cc2)C[C@H]1C ZINC001296135739 1064240101 /nfs/dbraw/zinc/24/01/01/1064240101.db2.gz AMRKPIMXYFQRQN-HXUWFJFHSA-N 1 0 470.618 2.508 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001291759751 1064240430 /nfs/dbraw/zinc/24/04/30/1064240430.db2.gz KAWKSGQRCCKXIA-FQEVSTJZSA-N 1 0 496.660 2.885 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001296136136 1064240817 /nfs/dbraw/zinc/24/08/17/1064240817.db2.gz DIKAOQUHADBSCK-MRXNPFEDSA-N 1 0 481.523 2.537 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001291760060 1064241299 /nfs/dbraw/zinc/24/12/99/1064241299.db2.gz NIMFDYXAFJJPJT-MOPGFXCFSA-N 1 0 463.671 2.525 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cccc(Cl)c3n2C)C[C@H]1C ZINC001296136326 1064241429 /nfs/dbraw/zinc/24/14/29/1064241429.db2.gz HJLUCRAWQOCQQB-OAHLLOKOSA-N 1 0 458.998 2.535 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001291760156 1064241764 /nfs/dbraw/zinc/24/17/64/1064241764.db2.gz KBFKQXXGEKAEKH-GHTZIAJQSA-N 1 0 492.690 2.787 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001291761832 1064242763 /nfs/dbraw/zinc/24/27/63/1064242763.db2.gz VSAOXXODJIQUEZ-MSOLQXFVSA-N 1 0 461.586 2.749 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296136794 1064242813 /nfs/dbraw/zinc/24/28/13/1064242813.db2.gz LJPJMHLTRIGDJR-BHIFYINESA-N 1 0 489.709 2.534 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)CCOc2cccc(C)c2)CC1 ZINC001296137561 1064243856 /nfs/dbraw/zinc/24/38/56/1064243856.db2.gz QCUZCQZXUWZZSB-FYYLOGMGSA-N 1 0 456.635 2.979 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001291763451 1064244264 /nfs/dbraw/zinc/24/42/64/1064244264.db2.gz XCPCQZIPMLPILM-SFHVURJKSA-N 1 0 490.052 2.502 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291763376 1064244330 /nfs/dbraw/zinc/24/43/30/1064244330.db2.gz WHZMYIQVWFCFOU-ABSDTBQOSA-N 1 0 494.482 2.923 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296137832 1064244427 /nfs/dbraw/zinc/24/44/27/1064244427.db2.gz QYCVLUXVLTZOMO-SFGWALBWSA-N 1 0 488.599 2.685 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001291763925 1064244712 /nfs/dbraw/zinc/24/47/12/1064244712.db2.gz YPHNZRGOUCKJLU-YLJYHZDGSA-N 1 0 458.607 2.798 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cn2)CC1 ZINC001296138395 1064245154 /nfs/dbraw/zinc/24/51/54/1064245154.db2.gz WFMANDTWDUWPCW-OAQYLSRUSA-N 1 0 484.649 2.665 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291764003 1064245179 /nfs/dbraw/zinc/24/51/79/1064245179.db2.gz AGBMOSMMNXZRAQ-BXKMTCNYSA-N 1 0 458.607 2.655 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(C(=O)NC(C)C)nnc3N(C)Cc3ccccc3F)cn2)CC1 ZINC001296139021 1064246206 /nfs/dbraw/zinc/24/62/06/1064246206.db2.gz ZIDPHAORFWIQHN-UHFFFAOYSA-N 1 0 494.619 2.777 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001296141181 1064247171 /nfs/dbraw/zinc/24/71/71/1064247171.db2.gz BGSXTTXBSNMFLX-CPJSRVTESA-N 1 0 473.618 2.937 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@@H]1C ZINC001296142002 1064248165 /nfs/dbraw/zinc/24/81/65/1064248165.db2.gz HKDUTUYRQQZULP-KRWDZBQOSA-N 1 0 482.585 2.953 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296142314 1064249062 /nfs/dbraw/zinc/24/90/62/1064249062.db2.gz DDADFWDIWIBTAI-FUHWJXTLSA-N 1 0 464.561 2.947 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001291767893 1064249769 /nfs/dbraw/zinc/24/97/69/1064249769.db2.gz OWSAJQKNDUVKPV-SFTDATJTSA-N 1 0 467.662 2.773 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001296143130 1064250433 /nfs/dbraw/zinc/25/04/33/1064250433.db2.gz FYYJXPXJPJWZQX-UYAOXDASSA-N 1 0 478.663 2.505 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCn2nc(C)nc2C1 ZINC001291768563 1064251226 /nfs/dbraw/zinc/25/12/26/1064251226.db2.gz XXJUMLMZURCTDK-MRXNPFEDSA-N 1 0 454.579 2.613 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001296143063 1064251657 /nfs/dbraw/zinc/25/16/57/1064251657.db2.gz OZQMENAHIGOJAP-AUSIDOKSSA-N 1 0 467.680 2.761 20 0 JFADRO 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CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)OCCOC)n3Cc3cccc(C)c3)C2)CC1 ZINC001296179133 1064307534 /nfs/dbraw/zinc/30/75/34/1064307534.db2.gz DMSJSOIGIJWRRT-FYYLOGMGSA-N 1 0 456.635 2.575 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(C(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)C1=O ZINC001296179438 1064308658 /nfs/dbraw/zinc/30/86/58/1064308658.db2.gz GJZKJMFBUNWZOW-FQEVSTJZSA-N 1 0 461.655 2.629 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC=C(C)C)C2)CC1 ZINC001296179728 1064309802 /nfs/dbraw/zinc/30/98/02/1064309802.db2.gz HQLNEVYXXWIBFS-RDGATRHJSA-N 1 0 460.667 2.891 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001296180517 1064311307 /nfs/dbraw/zinc/31/13/07/1064311307.db2.gz NTOXZBIVFDUXAR-IBGZPJMESA-N 1 0 492.043 2.726 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4Br)n3C[C@@H](C)OC)C2)CC1 ZINC001296180558 1064311868 /nfs/dbraw/zinc/31/18/68/1064311868.db2.gz NSFGDWJRUXLOFP-MSOLQXFVSA-N 1 0 477.451 2.959 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001291804567 1064322233 /nfs/dbraw/zinc/32/22/33/1064322233.db2.gz RGJGWSJRYIMFET-GOSISDBHSA-N 1 0 458.607 2.700 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001296182879 1064324465 /nfs/dbraw/zinc/32/44/65/1064324465.db2.gz ALKAOAQHQOCAHV-AUSIDOKSSA-N 1 0 488.080 2.977 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296182876 1064324588 /nfs/dbraw/zinc/32/45/88/1064324588.db2.gz AIIMPMJHGQEDPP-SFHVURJKSA-N 1 0 472.041 2.637 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@@H](C)COC)C2)CC1 ZINC001296182989 1064325982 /nfs/dbraw/zinc/32/59/82/1064325982.db2.gz XJQHYVHXWYFYFU-NFBKMPQASA-N 1 0 470.662 2.973 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCSC(F)(F)F)C2)CC1 ZINC001296183059 1064326690 /nfs/dbraw/zinc/32/66/90/1064326690.db2.gz YQBCWLZBIXKHCM-SFHVURJKSA-N 1 0 486.612 2.609 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001296183020 1064326819 /nfs/dbraw/zinc/32/68/19/1064326819.db2.gz YDWFZSWMPAITMC-NRFANRHFSA-N 1 0 456.635 2.758 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)OC)C2)CC1 ZINC001296183160 1064326844 /nfs/dbraw/zinc/32/68/44/1064326844.db2.gz YWFIPYUAPBALHC-NRFANRHFSA-N 1 0 456.635 2.519 20 0 JFADRO CN1CC[NH+](CC2(C)CCN(C(=O)C3(NC(=O)NCc4ccccc4)CCCC3)CC2)CC1 ZINC001296183268 1064327706 /nfs/dbraw/zinc/32/77/06/1064327706.db2.gz NBGOFNQLMANVFJ-UHFFFAOYSA-N 1 0 455.647 2.675 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296185988 1064333496 /nfs/dbraw/zinc/33/34/96/1064333496.db2.gz RQWHWTFQWNMQKM-IEBWSBKVSA-N 1 0 494.482 2.925 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOCC2)CC1 ZINC001296186599 1064334175 /nfs/dbraw/zinc/33/41/75/1064334175.db2.gz WWEVBWQLSQYHCD-GOSISDBHSA-N 1 0 477.451 2.818 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001296190029 1064336799 /nfs/dbraw/zinc/33/67/99/1064336799.db2.gz AZXBNHKRGSTMNH-FYYLOGMGSA-N 1 0 455.651 2.543 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001291812910 1064340294 /nfs/dbraw/zinc/34/02/94/1064340294.db2.gz RRUSTPBFUHQEBQ-FQEVSTJZSA-N 1 0 484.645 2.807 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291812979 1064340897 /nfs/dbraw/zinc/34/08/97/1064340897.db2.gz SJQFQXKDBYXAMD-ZFGGDYGUSA-N 1 0 495.672 2.629 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296191511 1064341232 /nfs/dbraw/zinc/34/12/32/1064341232.db2.gz JDNNIXLHYJCPPY-FQEVSTJZSA-N 1 0 468.625 2.652 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(N3CCCNC3=O)CC2)CC1 ZINC001296192032 1064343276 /nfs/dbraw/zinc/34/32/76/1064343276.db2.gz LLUCVXGBQRLBEA-OAQYLSRUSA-N 1 0 488.725 2.524 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001296191932 1064343426 /nfs/dbraw/zinc/34/34/26/1064343426.db2.gz DASDAKGQQHQLNT-QIJUGHKUSA-N 1 0 477.053 2.722 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001291814996 1064343479 /nfs/dbraw/zinc/34/34/79/1064343479.db2.gz BIQRQUIISQKQCR-PMACEKPBSA-N 1 0 453.635 2.879 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296192351 1064345245 /nfs/dbraw/zinc/34/52/45/1064345245.db2.gz FHHAVSGOTKPFAY-HXUWFJFHSA-N 1 0 478.645 2.962 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C)nnc2N2CC[C@](O)(Cc3cccc(Cl)c3)C2)CC1 ZINC001296192846 1064347406 /nfs/dbraw/zinc/34/74/06/1064347406.db2.gz GRMVBILTADDQQF-DEOSSOPVSA-N 1 0 461.054 2.842 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193165 1064348866 /nfs/dbraw/zinc/34/88/66/1064348866.db2.gz HQCRARZZSUJHMY-TZIWHRDSSA-N 1 0 475.682 2.923 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296193559 1064351740 /nfs/dbraw/zinc/35/17/40/1064351740.db2.gz JSAQNECAAJNSPA-UXHICEINSA-N 1 0 488.080 2.929 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296193500 1064351779 /nfs/dbraw/zinc/35/17/79/1064351779.db2.gz IVFWDRYFXSRQTG-HXUWFJFHSA-N 1 0 467.662 2.815 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194077 1064353911 /nfs/dbraw/zinc/35/39/11/1064353911.db2.gz LHOBQRRAWKGUCV-IRFCIJBXSA-N 1 0 475.682 2.779 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC001296194347 1064355413 /nfs/dbraw/zinc/35/54/13/1064355413.db2.gz RKYKWJWEYVKLLC-IRLDBZIGSA-N 1 0 456.683 2.998 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195042 1064358791 /nfs/dbraw/zinc/35/87/91/1064358791.db2.gz UUXXRGFCLBJBNJ-VXKWHMMOSA-N 1 0 456.683 2.553 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195283 1064360390 /nfs/dbraw/zinc/36/03/90/1064360390.db2.gz NVZIMEJHTHPUTJ-HXUWFJFHSA-N 1 0 463.671 2.923 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001296195364 1064360932 /nfs/dbraw/zinc/36/09/32/1064360932.db2.gz IJFXODDDAHURCG-IBGZPJMESA-N 1 0 468.572 2.875 20 0 JFADRO CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001296195334 1064361022 /nfs/dbraw/zinc/36/10/22/1064361022.db2.gz OVFBCNQHKWPLQG-AQNXPRMDSA-N 1 0 463.671 2.779 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296195441 1064361719 /nfs/dbraw/zinc/36/17/19/1064361719.db2.gz KPAAHARITMHRHV-NHCUHLMSSA-N 1 0 486.661 2.994 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001296195690 1064362709 /nfs/dbraw/zinc/36/27/09/1064362709.db2.gz QHSGFGMZCAXMRG-PMACEKPBSA-N 1 0 488.080 2.964 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296196064 1064364329 /nfs/dbraw/zinc/36/43/29/1064364329.db2.gz OOJKLAPPCJOLDY-FQEVSTJZSA-N 1 0 472.634 2.605 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001291822758 1064365943 /nfs/dbraw/zinc/36/59/43/1064365943.db2.gz NQFMOAYGQGTHPM-MOPGFXCFSA-N 1 0 487.674 2.639 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001291822763 1064365968 /nfs/dbraw/zinc/36/59/68/1064365968.db2.gz NQHRKMUWDVCAPR-FGZHOGPDSA-N 1 0 487.693 2.798 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001291822759 1064366023 /nfs/dbraw/zinc/36/60/23/1064366023.db2.gz NQFMOAYGQGTHPM-OALUTQOASA-N 1 0 487.674 2.639 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001296196946 1064371167 /nfs/dbraw/zinc/37/11/67/1064371167.db2.gz WWSICMZKMBFTDW-MIZPHKNDSA-N 1 0 483.661 2.709 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCNC(=O)CC2)CC1 ZINC001296197035 1064371899 /nfs/dbraw/zinc/37/18/99/1064371899.db2.gz WTDGNCKIGBNTGF-HSZRJFAPSA-N 1 0 497.688 2.779 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296201855 1064376479 /nfs/dbraw/zinc/37/64/79/1064376479.db2.gz BWKLLIDWVSTQIC-UHFFFAOYSA-N 1 0 461.699 2.589 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCCC3)CC2)CC1 ZINC001296201888 1064376576 /nfs/dbraw/zinc/37/65/76/1064376576.db2.gz CRFAFWPFAYPODM-UHFFFAOYSA-N 1 0 488.725 2.622 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC3CC3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001296202982 1064379863 /nfs/dbraw/zinc/37/98/63/1064379863.db2.gz JTSSDHIEUUURGW-IBGZPJMESA-N 1 0 471.616 2.721 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296203648 1064381994 /nfs/dbraw/zinc/38/19/94/1064381994.db2.gz MOLGDVYZVDZBBC-CZYKHXBRSA-N 1 0 480.723 2.750 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC001296204037 1064382884 /nfs/dbraw/zinc/38/28/84/1064382884.db2.gz POJBTCRRVYMQPP-NRFANRHFSA-N 1 0 461.699 2.806 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCC[C@H](n3nc(C)nc3C)C2)CC1 ZINC001296203827 1064383609 /nfs/dbraw/zinc/38/36/09/1064383609.db2.gz PHHGLPVQGPTJIJ-QHCPKHFHSA-N 1 0 471.698 2.944 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296204242 1064385670 /nfs/dbraw/zinc/38/56/70/1064385670.db2.gz IXMCRPZBFGEPOS-FCHUYYIVSA-N 1 0 462.683 2.984 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccccc2C)CC1 ZINC001296204677 1064386964 /nfs/dbraw/zinc/38/69/64/1064386964.db2.gz ZFXORRHISSUTBV-UHFFFAOYSA-N 1 0 476.629 2.898 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296204624 1064387233 /nfs/dbraw/zinc/38/72/33/1064387233.db2.gz UHLKSABNLMQXFU-HXUWFJFHSA-N 1 0 460.598 2.639 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001296205011 1064388650 /nfs/dbraw/zinc/38/86/50/1064388650.db2.gz PVDUIOCEOVMSOR-UHFFFAOYSA-N 1 0 478.645 2.993 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CCC3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296205126 1064389468 /nfs/dbraw/zinc/38/94/68/1064389468.db2.gz XGNHVHSJIMHQBB-UHFFFAOYSA-N 1 0 459.683 2.847 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296205268 1064390009 /nfs/dbraw/zinc/39/00/09/1064390009.db2.gz RKFQKNKMKJITND-QGZVFWFLSA-N 1 0 466.055 2.608 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296205287 1064390154 /nfs/dbraw/zinc/39/01/54/1064390154.db2.gz RTZPKXMIKDUDIS-JOCHJYFZSA-N 1 0 483.661 2.583 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(C)o3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296205629 1064391780 /nfs/dbraw/zinc/39/17/80/1064391780.db2.gz BWQGFKXAOXBGRW-UHFFFAOYSA-N 1 0 471.650 2.569 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296206231 1064394096 /nfs/dbraw/zinc/39/40/96/1064394096.db2.gz KTLCQGUXFMEOCC-UHFFFAOYSA-N 1 0 480.661 2.968 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296206332 1064394763 /nfs/dbraw/zinc/39/47/63/1064394763.db2.gz NLNFHIURNPVWLU-SANMLTNESA-N 1 0 486.661 2.995 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296206357 1064394844 /nfs/dbraw/zinc/39/48/44/1064394844.db2.gz OFCGJXNORJVVKY-HXUWFJFHSA-N 1 0 477.451 2.960 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001296206437 1064395521 /nfs/dbraw/zinc/39/55/21/1064395521.db2.gz QWMPJQFPQDNTAK-UHFFFAOYSA-N 1 0 495.594 2.666 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296206447 1064396269 /nfs/dbraw/zinc/39/62/69/1064396269.db2.gz RDEMSVAAEZERBK-SFHVURJKSA-N 1 0 463.026 2.860 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001291833432 1064401065 /nfs/dbraw/zinc/40/10/65/1064401065.db2.gz LGGIIHHZTQUUQQ-QFIPXVFZSA-N 1 0 467.662 2.858 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296211305 1064401914 /nfs/dbraw/zinc/40/19/14/1064401914.db2.gz MFMWQTVDVQTIGX-VWNXMTODSA-N 1 0 454.663 2.952 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)C2CCCCC2)CC1 ZINC001296211282 1064401934 /nfs/dbraw/zinc/40/19/34/1064401934.db2.gz LPYQFURKMAKDNE-NRFANRHFSA-N 1 0 459.683 2.833 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296211332 1064402727 /nfs/dbraw/zinc/40/27/27/1064402727.db2.gz NHNAFKKZDMMYIW-UHFFFAOYSA-N 1 0 455.651 2.685 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)[NH+](C)C)CC1 ZINC001291833728 1064404124 /nfs/dbraw/zinc/40/41/24/1064404124.db2.gz OLYWBXDAZITNKF-FPOVZHCZSA-N 1 0 492.672 2.789 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCCC[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296212571 1064404337 /nfs/dbraw/zinc/40/43/37/1064404337.db2.gz ABYMENDCRSQJNO-WIOPSUGQSA-N 1 0 462.683 2.973 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001291834462 1064410064 /nfs/dbraw/zinc/41/00/64/1064410064.db2.gz YVCZKMRNCRXDIQ-AVRDEDQJSA-N 1 0 488.080 2.975 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296214299 1064411891 /nfs/dbraw/zinc/41/18/91/1064411891.db2.gz NFBKJPDSMSQCBJ-JOCHJYFZSA-N 1 0 456.635 2.727 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001296214860 1064414976 /nfs/dbraw/zinc/41/49/76/1064414976.db2.gz PGTGRWZQDQWUTM-OYRHEFFESA-N 1 0 456.635 2.986 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001296214861 1064414995 /nfs/dbraw/zinc/41/49/95/1064414995.db2.gz PGTGRWZQDQWUTM-SFTDATJTSA-N 1 0 456.635 2.986 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001291835936 1064415878 /nfs/dbraw/zinc/41/58/78/1064415878.db2.gz LMOKCIKXFOAEOX-NHCUHLMSSA-N 1 0 459.683 2.704 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001291835938 1064416576 /nfs/dbraw/zinc/41/65/76/1064416576.db2.gz LMOKCIKXFOAEOX-SFTDATJTSA-N 1 0 459.683 2.704 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296215811 1064420047 /nfs/dbraw/zinc/42/00/47/1064420047.db2.gz FZMJMNPTISIWFK-RTBURBONSA-N 1 0 467.618 2.878 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC001296216071 1064422327 /nfs/dbraw/zinc/42/23/27/1064422327.db2.gz ZPSGZSXGDXBRGB-OAQYLSRUSA-N 1 0 491.587 2.510 20 0 JFADRO CCn1nc(-c2nnc(N3CC[C@@H](C)[C@@H](OC)C3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296219155 1064432298 /nfs/dbraw/zinc/43/22/98/1064432298.db2.gz IWVPMIPEJDOUNP-NQIIRXRSSA-N 1 0 467.618 2.876 20 0 JFADRO CCn1nc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CCOCC(F)F)c2ccccc2c1=O ZINC001296219338 1064433214 /nfs/dbraw/zinc/43/32/14/1064433214.db2.gz KCEVJWIILYWNKS-UHFFFAOYSA-N 1 0 489.571 2.877 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291839996 1064435885 /nfs/dbraw/zinc/43/58/85/1064435885.db2.gz OQLFCVHHCOBCGQ-BHIFYINESA-N 1 0 489.709 2.677 20 0 JFADRO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001291846337 1064453577 /nfs/dbraw/zinc/45/35/77/1064453577.db2.gz UZQQHPCVBVMABB-QHCPKHFHSA-N 1 0 468.646 2.989 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001296233117 1064474360 /nfs/dbraw/zinc/47/43/60/1064474360.db2.gz MEHCUYNMFXSPEA-UHFFFAOYSA-N 1 0 468.646 2.964 20 0 JFADRO CC[C@H](c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001291875297 1064493941 /nfs/dbraw/zinc/49/39/41/1064493941.db2.gz VZTXCGSIXVSBIB-QFIPXVFZSA-N 1 0 474.675 2.824 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291880608 1064502270 /nfs/dbraw/zinc/50/22/70/1064502270.db2.gz HINQEFPWPHXQOE-DEOSSOPVSA-N 1 0 481.689 2.905 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881932 1064504359 /nfs/dbraw/zinc/50/43/59/1064504359.db2.gz ZGYAAYZTYBXINY-JTHBVZDNSA-N 1 0 481.689 2.938 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c2C(F)F)C1 ZINC001291882889 1064505353 /nfs/dbraw/zinc/50/53/53/1064505353.db2.gz QDEXMZZSUYGZFK-HIFRSBDPSA-N 1 0 454.522 2.612 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001296248049 1064507746 /nfs/dbraw/zinc/50/77/46/1064507746.db2.gz FCSIFARIRWBDPB-IBGZPJMESA-N 1 0 456.635 2.765 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001291887988 1064510839 /nfs/dbraw/zinc/51/08/39/1064510839.db2.gz MCJMILUXFMDWGP-KNQAVFIVSA-N 1 0 474.675 2.774 20 0 JFADRO CC[C@@H](Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001291889666 1064514841 /nfs/dbraw/zinc/51/48/41/1064514841.db2.gz UEGXOSIJZFQBQP-GOTSBHOMSA-N 1 0 468.646 2.989 20 0 JFADRO C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1=CC[N@H+](C)CC1 ZINC001296254822 1064516922 /nfs/dbraw/zinc/51/69/22/1064516922.db2.gz WHTCFFINWMSJMP-HNNXBMFYSA-N 1 0 459.534 2.873 20 0 JFADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)C1 ZINC001296256612 1064520856 /nfs/dbraw/zinc/52/08/56/1064520856.db2.gz FFXNFIRZNVCXJS-AVRWGWEMSA-N 1 0 459.587 2.780 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001291893540 1064522650 /nfs/dbraw/zinc/52/26/50/1064522650.db2.gz SMBWNSIRLCKDAT-QHCPKHFHSA-N 1 0 467.662 2.516 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291893936 1064522934 /nfs/dbraw/zinc/52/29/34/1064522934.db2.gz VNUDYVNZTSGWKL-WPFOTENUSA-N 1 0 481.689 2.761 20 0 JFADRO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)SC ZINC001291902755 1064533600 /nfs/dbraw/zinc/53/36/00/1064533600.db2.gz ACCDHMVQRKKFSF-GOSISDBHSA-N 1 0 452.669 2.593 20 0 JFADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904474 1064535137 /nfs/dbraw/zinc/53/51/37/1064535137.db2.gz PRMZDBDXYXLHRG-BUZMGHMJSA-N 1 0 482.673 2.970 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC001296270113 1064538554 /nfs/dbraw/zinc/53/85/54/1064538554.db2.gz KZJUPZVGYHDCOL-PGRDOPGGSA-N 1 0 481.645 2.667 20 0 JFADRO CCNC(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001296272163 1064540778 /nfs/dbraw/zinc/54/07/78/1064540778.db2.gz JWKBPJPUOOAYQT-NRFANRHFSA-N 1 0 454.619 2.891 20 0 JFADRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 ZINC001291920923 1064541989 /nfs/dbraw/zinc/54/19/89/1064541989.db2.gz UTNZYFPTHGGDOS-INIZCTEOSA-N 1 0 455.563 2.642 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001291925252 1064545656 /nfs/dbraw/zinc/54/56/56/1064545656.db2.gz GOJYIQOIJJYTDN-IBGZPJMESA-N 1 0 489.665 2.845 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)SC ZINC001291930764 1064547814 /nfs/dbraw/zinc/54/78/14/1064547814.db2.gz CADJQAMAMHPLMD-UXHICEINSA-N 1 0 478.707 2.837 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)SC ZINC001291930765 1064548453 /nfs/dbraw/zinc/54/84/53/1064548453.db2.gz CADJQAMAMHPLMD-VQTJNVASSA-N 1 0 478.707 2.837 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCC([NH+](CC)CC)CC2)c1 ZINC001296279578 1064549404 /nfs/dbraw/zinc/54/94/04/1064549404.db2.gz ITSYQCQIQVRREZ-UHFFFAOYSA-N 1 0 462.602 2.844 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291940743 1064555889 /nfs/dbraw/zinc/55/58/89/1064555889.db2.gz ISFJGDQUFPALJU-BAGYTPMASA-N 1 0 476.666 2.714 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001296287739 1064559962 /nfs/dbraw/zinc/55/99/62/1064559962.db2.gz WBVJRMFQYKCZOZ-UNMCSNQZSA-N 1 0 455.651 2.661 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001296288096 1064560737 /nfs/dbraw/zinc/56/07/37/1064560737.db2.gz HGBMSKSKRQOFHL-UHFFFAOYSA-N 1 0 488.080 2.979 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001291950507 1064561363 /nfs/dbraw/zinc/56/13/63/1064561363.db2.gz AEPVSIAGOLNPCA-JKBKZWBZSA-N 1 0 484.711 2.650 20 0 JFADRO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c2ccccc2)CC1 ZINC001291949289 1064561490 /nfs/dbraw/zinc/56/14/90/1064561490.db2.gz OQTZAXBLKZMKDK-QHCPKHFHSA-N 1 0 459.612 2.502 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291951565 1064563195 /nfs/dbraw/zinc/56/31/95/1064563195.db2.gz GQBXBEVSAVRFMU-ICSRJNTNSA-N 1 0 450.628 2.815 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296289353 1064564467 /nfs/dbraw/zinc/56/44/67/1064564467.db2.gz RYMACIWUHDQOHP-OAQYLSRUSA-N 1 0 485.652 2.854 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1)[NH+](C)C ZINC001291952945 1064565683 /nfs/dbraw/zinc/56/56/83/1064565683.db2.gz OCWAFSMRDCLYDZ-INIZCTEOSA-N 1 0 462.561 2.676 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC001291952940 1064565745 /nfs/dbraw/zinc/56/57/45/1064565745.db2.gz NZXPYNNZRQJMIC-QHCPKHFHSA-N 1 0 468.646 2.747 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1)[NH+](C)C ZINC001291954061 1064567173 /nfs/dbraw/zinc/56/71/73/1064567173.db2.gz SBCXIMVJFFAYDL-OAQYLSRUSA-N 1 0 485.681 2.516 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001296291096 1064567402 /nfs/dbraw/zinc/56/74/02/1064567402.db2.gz OBOINXOKOGKCBU-NRFANRHFSA-N 1 0 494.688 2.671 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+](C)C ZINC001291954367 1064567580 /nfs/dbraw/zinc/56/75/80/1064567580.db2.gz UBJLEMRHZLXLRV-NRFANRHFSA-N 1 0 484.649 2.739 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001291954595 1064568481 /nfs/dbraw/zinc/56/84/81/1064568481.db2.gz VQBZSIIYLGBVSW-IBGZPJMESA-N 1 0 479.670 2.840 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001296293507 1064569128 /nfs/dbraw/zinc/56/91/28/1064569128.db2.gz JFMYIIZAASSXMW-VABKMULXSA-N 1 0 489.709 2.536 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC001291955073 1064569309 /nfs/dbraw/zinc/56/93/09/1064569309.db2.gz XDDCMZWLADICIJ-HSZRJFAPSA-N 1 0 460.667 2.952 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001296293745 1064569531 /nfs/dbraw/zinc/56/95/31/1064569531.db2.gz CERGWQAOBWPGHB-OAQYLSRUSA-N 1 0 485.652 2.531 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+](C)C ZINC001291955395 1064569940 /nfs/dbraw/zinc/56/99/40/1064569940.db2.gz UYKMONVZYHRZTK-UXHICEINSA-N 1 0 478.041 2.701 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001296294888 1064570742 /nfs/dbraw/zinc/57/07/42/1064570742.db2.gz NMVYLIHTFIVGTB-HXUWFJFHSA-N 1 0 459.664 2.558 20 0 JFADRO CCN1C(=O)CO[C@H](C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)[C@H]1c1ccnn1C ZINC001291959562 1064572459 /nfs/dbraw/zinc/57/24/59/1064572459.db2.gz BQJRPYFBQQHAAO-RPBOFIJWSA-N 1 0 467.614 2.789 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296295906 1064572594 /nfs/dbraw/zinc/57/25/94/1064572594.db2.gz SHGSYCLVCJHWOF-NRFANRHFSA-N 1 0 499.679 2.777 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001291961334 1064573419 /nfs/dbraw/zinc/57/34/19/1064573419.db2.gz HDZAGGCUPYIRTJ-JOCHJYFZSA-N 1 0 450.591 2.904 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)[NH+](C)C ZINC001291961968 1064575047 /nfs/dbraw/zinc/57/50/47/1064575047.db2.gz DVRVCXYHLJYIAY-NQIIRXRSSA-N 1 0 458.655 2.738 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC)C1)[NH+](C)C ZINC001291963114 1064576668 /nfs/dbraw/zinc/57/66/68/1064576668.db2.gz RJTDCSRCUROBPD-WOJBJXKFSA-N 1 0 459.591 2.892 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1nccs1)[NH+]1CCOCC1 ZINC001291963487 1064576796 /nfs/dbraw/zinc/57/67/96/1064576796.db2.gz KLXBVJWEXLBMCP-IBGZPJMESA-N 1 0 456.620 2.965 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC)C1)[NH+](C)C ZINC001291963106 1064576924 /nfs/dbraw/zinc/57/69/24/1064576924.db2.gz RJTDCSRCUROBPD-UXHICEINSA-N 1 0 459.591 2.892 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001291963790 1064577263 /nfs/dbraw/zinc/57/72/63/1064577263.db2.gz DMSRXWMJKBJZLZ-JOCHJYFZSA-N 1 0 459.683 2.656 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291963904 1064577276 /nfs/dbraw/zinc/57/72/76/1064577276.db2.gz KYLHSTGYGOEBLG-GHTZIAJQSA-N 1 0 459.639 2.819 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1)[NH+]1CCOCC1 ZINC001291965694 1064578452 /nfs/dbraw/zinc/57/84/52/1064578452.db2.gz ZBZGCQZUVDSFQR-ZLNRFVROSA-N 1 0 457.619 2.932 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291965071 1064578533 /nfs/dbraw/zinc/57/85/33/1064578533.db2.gz OXBNLXWEOZNWHZ-QPPBQGQZSA-N 1 0 483.661 2.782 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+](C)C ZINC001291965802 1064578938 /nfs/dbraw/zinc/57/89/38/1064578938.db2.gz IQTHXODTRYVWGC-YLJYHZDGSA-N 1 0 481.601 2.960 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001291966545 1064580399 /nfs/dbraw/zinc/58/03/99/1064580399.db2.gz KLMJPCQIZWMVIP-DVECYGJZSA-N 1 0 459.639 2.727 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296302657 1064582585 /nfs/dbraw/zinc/58/25/85/1064582585.db2.gz QIHLLDKBPDDAES-HBMCJLEFSA-N 1 0 493.697 2.610 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291967496 1064582930 /nfs/dbraw/zinc/58/29/30/1064582930.db2.gz PGBRMLMDMDJUEU-MIZPHKNDSA-N 1 0 467.680 2.901 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1)[NH+]1CCOCC1 ZINC001291967669 1064582979 /nfs/dbraw/zinc/58/29/79/1064582979.db2.gz QGNLESKUPMDASD-JRFVFWCSSA-N 1 0 490.693 2.662 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC[N@H+](C)CCOC)CC1 ZINC001296306173 1064584345 /nfs/dbraw/zinc/58/43/45/1064584345.db2.gz GDNWRWLUPAIVEE-UHFFFAOYSA-N 1 0 469.590 2.511 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001291969521 1064585588 /nfs/dbraw/zinc/58/55/88/1064585588.db2.gz WLUAZPCNISQRDR-LZNRXBQRSA-N 1 0 470.618 2.824 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291972524 1064586623 /nfs/dbraw/zinc/58/66/23/1064586623.db2.gz BEHQDCYFUAXXSQ-UXHICEINSA-N 1 0 491.681 2.870 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001291974070 1064588870 /nfs/dbraw/zinc/58/88/70/1064588870.db2.gz KZLSMSCDCQHBJC-ZRBLBEILSA-N 1 0 473.666 2.890 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291974278 1064588900 /nfs/dbraw/zinc/58/89/00/1064588900.db2.gz LKHPBALNYQUTQD-NHCUHLMSSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+](C)C ZINC001291974684 1064589409 /nfs/dbraw/zinc/58/94/09/1064589409.db2.gz NNXOPXMGSQZTQY-PKTZIBPZSA-N 1 0 481.645 2.668 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001291975295 1064589692 /nfs/dbraw/zinc/58/96/92/1064589692.db2.gz RHQCEJXKVJUBCS-IRLDBZIGSA-N 1 0 459.639 2.502 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001291975465 1064590240 /nfs/dbraw/zinc/59/02/40/1064590240.db2.gz UGYTXLQXYLUPIE-BVAGGSTKSA-N 1 0 486.709 2.807 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001296309495 1064590231 /nfs/dbraw/zinc/59/02/31/1064590231.db2.gz CEVZKEBNIXWDRS-JOCHJYFZSA-N 1 0 480.592 2.942 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)[NH+](C)C ZINC001291975766 1064591337 /nfs/dbraw/zinc/59/13/37/1064591337.db2.gz YRIJVXGMKYMKDW-IEXUWNMDSA-N 1 0 473.710 2.586 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1)[NH+](C)C ZINC001291975744 1064591450 /nfs/dbraw/zinc/59/14/50/1064591450.db2.gz YHKFQKCCVIRBHZ-QFIPXVFZSA-N 1 0 485.681 2.500 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975809 1064591647 /nfs/dbraw/zinc/59/16/47/1064591647.db2.gz ZQSMPEHYMKYYOY-GMAHTHKFSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291975792 1064591747 /nfs/dbraw/zinc/59/17/47/1064591747.db2.gz ZHGDHHVJKHKLPM-SFTDATJTSA-N 1 0 487.674 2.506 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977903 1064593626 /nfs/dbraw/zinc/59/36/26/1064593626.db2.gz KNIXVAKNGWLUKY-WWNPGLIZSA-N 1 0 476.710 2.870 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC001296315333 1064594106 /nfs/dbraw/zinc/59/41/06/1064594106.db2.gz OZSHUQXKYIPAAZ-YADHBBJMSA-N 1 0 469.634 2.717 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001296316065 1064596322 /nfs/dbraw/zinc/59/63/22/1064596322.db2.gz YGVQGLVEPBOWMQ-NHCUHLMSSA-N 1 0 473.597 2.813 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001296316069 1064596344 /nfs/dbraw/zinc/59/63/44/1064596344.db2.gz YGVQGLVEPBOWMQ-SFTDATJTSA-N 1 0 473.597 2.813 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001296316081 1064596380 /nfs/dbraw/zinc/59/63/80/1064596380.db2.gz NPSBPTUZNWBPKY-UHFFFAOYSA-N 1 0 457.598 2.734 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001291985973 1064597956 /nfs/dbraw/zinc/59/79/56/1064597956.db2.gz CJXVSMRADYFBLF-UHFFFAOYSA-N 1 0 468.646 2.911 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC[N@H+](C)C(C)C ZINC001291985830 1064598027 /nfs/dbraw/zinc/59/80/27/1064598027.db2.gz FNYHQBOYONHFPX-UHFFFAOYSA-N 1 0 450.628 2.659 20 0 JFADRO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)cc2)C1 ZINC001296323492 1064605951 /nfs/dbraw/zinc/60/59/51/1064605951.db2.gz QPIYKXJWBDTZNO-AQNXPRMDSA-N 1 0 451.633 2.584 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001296325047 1064614173 /nfs/dbraw/zinc/61/41/73/1064614173.db2.gz SAELDFMILKMWPS-MISYRCLQSA-N 1 0 461.655 2.531 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CC[NH+]1CCCC1 ZINC001291999454 1064618396 /nfs/dbraw/zinc/61/83/96/1064618396.db2.gz NQEAEMZDYXRDAX-UHFFFAOYSA-N 1 0 470.544 2.681 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2nccs2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001292002142 1064620224 /nfs/dbraw/zinc/62/02/24/1064620224.db2.gz GIGIIVCECLCMRB-UHFFFAOYSA-N 1 0 475.663 2.934 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001296328309 1064622669 /nfs/dbraw/zinc/62/26/69/1064622669.db2.gz BAZLFRCMJGXYDB-DYESRHJHSA-N 1 0 460.648 2.508 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001296328311 1064623306 /nfs/dbraw/zinc/62/33/06/1064623306.db2.gz BAZLFRCMJGXYDB-UTKZUKDTSA-N 1 0 460.648 2.508 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC[C@H](C)[NH+]2CCCCC2)C1 ZINC001296329725 1064628506 /nfs/dbraw/zinc/62/85/06/1064628506.db2.gz LQBFZGJCESGAMN-PKOBYXMFSA-N 1 0 464.636 2.629 20 0 JFADRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 ZINC001292010540 1064636450 /nfs/dbraw/zinc/63/64/50/1064636450.db2.gz LMIJRKVVUSUQNQ-FGTMMUONSA-N 1 0 458.607 2.893 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292013798 1064642432 /nfs/dbraw/zinc/64/24/32/1064642432.db2.gz MNYDUHJFMWOCID-WMZHIEFXSA-N 1 0 495.672 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@H]1CCn2ccnc2C1 ZINC001292019385 1064657728 /nfs/dbraw/zinc/65/77/28/1064657728.db2.gz FBMFXSIGZJSBPQ-IPMKNSEASA-N 1 0 456.639 2.575 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292020755 1064660923 /nfs/dbraw/zinc/66/09/23/1064660923.db2.gz HGJVXBAFRYBXRP-YOUFYPILSA-N 1 0 464.655 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001292024740 1064674025 /nfs/dbraw/zinc/67/40/25/1064674025.db2.gz SZEJFHJXAUUXTK-FNZWTVRRSA-N 1 0 484.645 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001292026851 1064680299 /nfs/dbraw/zinc/68/02/99/1064680299.db2.gz OFRCECZWRANGLI-QFIPXVFZSA-N 1 0 491.434 2.546 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001292035608 1064697637 /nfs/dbraw/zinc/69/76/37/1064697637.db2.gz HUJVAIFDHMYNNQ-AVRWGWEMSA-N 1 0 475.682 2.669 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292043271 1064709385 /nfs/dbraw/zinc/70/93/85/1064709385.db2.gz FRWNNUWHKWPTBX-RXVVDRJESA-N 1 0 478.682 2.947 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001292046392 1064711148 /nfs/dbraw/zinc/71/11/48/1064711148.db2.gz SVNHLHGUPNHGPX-WDJPJFJCSA-N 1 0 498.672 2.673 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CC[N@H+](C)C1CCCC1 ZINC001292049649 1064714631 /nfs/dbraw/zinc/71/46/31/1064714631.db2.gz OBCYGPVPOMYAHF-SFHVURJKSA-N 1 0 456.639 2.798 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292053901 1064719557 /nfs/dbraw/zinc/71/95/57/1064719557.db2.gz UMYUDWBJBBNKMB-NTKDMRAZSA-N 1 0 478.707 2.887 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC1(C)CC1 ZINC001292063017 1064735435 /nfs/dbraw/zinc/73/54/35/1064735435.db2.gz LAMGGHUTYKCWSR-NRFANRHFSA-N 1 0 459.683 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001292075776 1064755985 /nfs/dbraw/zinc/75/59/85/1064755985.db2.gz ZVNXYFIZRHBGEI-UHFFFAOYSA-N 1 0 490.599 2.884 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292078312 1064760717 /nfs/dbraw/zinc/76/07/17/1064760717.db2.gz DOFYGKKQKMNECY-BVSLBCMMSA-N 1 0 476.666 2.559 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292078315 1064760909 /nfs/dbraw/zinc/76/09/09/1064760909.db2.gz DOFYGKKQKMNECY-NNWRFLSQSA-N 1 0 476.666 2.559 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001292079362 1064762630 /nfs/dbraw/zinc/76/26/30/1064762630.db2.gz REKARVMYGYCPPI-IHPCNDPISA-N 1 0 476.622 2.679 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(c3cc(C)ccc3OC)CCOCC2)CC1=O ZINC001292080155 1064763628 /nfs/dbraw/zinc/76/36/28/1064763628.db2.gz NTKRURZZJZWCAH-NHCUHLMSSA-N 1 0 457.615 2.501 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001292084885 1064766719 /nfs/dbraw/zinc/76/67/19/1064766719.db2.gz JPEDMOKZLCACFJ-DENIHFKCSA-N 1 0 495.672 2.606 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCC1CC[NH+](CC)CC1 ZINC001292088124 1064771626 /nfs/dbraw/zinc/77/16/26/1064771626.db2.gz CECFZUNARWYKDI-JOCHJYFZSA-N 1 0 487.693 2.910 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001292088166 1064772022 /nfs/dbraw/zinc/77/20/22/1064772022.db2.gz DBSRPRRBMPYPJX-FCHUYYIVSA-N 1 0 475.682 2.812 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001292090531 1064775941 /nfs/dbraw/zinc/77/59/41/1064775941.db2.gz PXGDOFGGYRYBSS-LEWJYISDSA-N 1 0 487.693 2.908 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292090534 1064776087 /nfs/dbraw/zinc/77/60/87/1064776087.db2.gz PXGDOFGGYRYBSS-SFTDATJTSA-N 1 0 487.693 2.908 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292091362 1064778295 /nfs/dbraw/zinc/77/82/95/1064778295.db2.gz UPPVDNRYGKNXND-FGZHOGPDSA-N 1 0 487.624 2.743 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001292091438 1064778574 /nfs/dbraw/zinc/77/85/74/1064778574.db2.gz VKGFJGLQXHGAMW-FPOVZHCZSA-N 1 0 471.654 2.750 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1nccn1C(F)F ZINC001292092493 1064780171 /nfs/dbraw/zinc/78/01/71/1064780171.db2.gz XOBWERJFCJWULJ-KRWDZBQOSA-N 1 0 464.565 2.901 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292092824 1064780906 /nfs/dbraw/zinc/78/09/06/1064780906.db2.gz ZPCGNKHBEYFWLJ-GGAORHGYSA-N 1 0 499.708 2.569 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292093048 1064781707 /nfs/dbraw/zinc/78/17/07/1064781707.db2.gz DDXQGLMSYHMSDN-SFTDATJTSA-N 1 0 485.681 2.663 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1CC1(O)CCOCC1 ZINC001292095136 1064786326 /nfs/dbraw/zinc/78/63/26/1064786326.db2.gz TWTBMGDPRJNGDQ-LEWJYISDSA-N 1 0 490.693 2.829 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292097503 1064788345 /nfs/dbraw/zinc/78/83/45/1064788345.db2.gz RVVJDVHDAOZEND-FCHUYYIVSA-N 1 0 486.665 2.628 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292099762 1064790578 /nfs/dbraw/zinc/79/05/78/1064790578.db2.gz FAHFPLIKTYGBJD-MPJJRAAHSA-N 1 0 476.666 2.844 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292102463 1064793255 /nfs/dbraw/zinc/79/32/55/1064793255.db2.gz RQAKQQNYBZWSGG-DNVFCKCGSA-N 1 0 464.680 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001292105229 1064798578 /nfs/dbraw/zinc/79/85/78/1064798578.db2.gz LHCCBMOOMSSDED-SQJMNOBHSA-N 1 0 476.666 2.845 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(OC)cc1 ZINC001292105976 1064801647 /nfs/dbraw/zinc/80/16/47/1064801647.db2.gz QNUIEPAIBPKTDH-UHFFFAOYSA-N 1 0 494.644 2.699 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292110179 1064810848 /nfs/dbraw/zinc/81/08/48/1064810848.db2.gz DYWXNMPTJNKVIJ-FQEVSTJZSA-N 1 0 487.674 2.561 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292110495 1064813647 /nfs/dbraw/zinc/81/36/47/1064813647.db2.gz JICKWEGLMDJWMJ-HXUWFJFHSA-N 1 0 481.645 2.501 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@@H]1CSCCS1 ZINC001292114129 1064825802 /nfs/dbraw/zinc/82/58/02/1064825802.db2.gz SQAMUPAUDPOQGC-QGZVFWFLSA-N 1 0 454.710 2.966 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001292115116 1064831179 /nfs/dbraw/zinc/83/11/79/1064831179.db2.gz KKIMVOLWGNMKND-GOSISDBHSA-N 1 0 479.670 2.982 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001292122230 1064855935 /nfs/dbraw/zinc/85/59/35/1064855935.db2.gz OTQCAHSWGNZSAZ-UHFFFAOYSA-N 1 0 492.738 2.788 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(C)(C)C(=O)NC ZINC001292123482 1064861827 /nfs/dbraw/zinc/86/18/27/1064861827.db2.gz FGAAXHLTBIOBQW-LJQANCHMSA-N 1 0 483.661 2.679 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCNC(=O)C(C)C ZINC001292123972 1064863359 /nfs/dbraw/zinc/86/33/59/1064863359.db2.gz BNUZKRNZRJMPJS-UHFFFAOYSA-N 1 0 475.682 2.669 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1C[C@@H]1CSCCS1 ZINC001292125468 1064869737 /nfs/dbraw/zinc/86/97/37/1064869737.db2.gz UJTMCSLAZOSLIW-GOSISDBHSA-N 1 0 454.710 2.823 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001292125417 1064869826 /nfs/dbraw/zinc/86/98/26/1064869826.db2.gz CSUJVWYJFVLGLL-QHCPKHFHSA-N 1 0 466.630 2.906 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1C[C@@]1(O)CCSC1 ZINC001292125482 1064870494 /nfs/dbraw/zinc/87/04/94/1064870494.db2.gz UXZVSVDCNQJPPN-VWLOTQADSA-N 1 0 486.686 2.695 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001292125755 1064871082 /nfs/dbraw/zinc/87/10/82/1064871082.db2.gz LMLNPHWUIHSJQT-PMACEKPBSA-N 1 0 475.682 2.622 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001292126565 1064876332 /nfs/dbraw/zinc/87/63/32/1064876332.db2.gz LQLSNHVNAAGIDO-SFHVURJKSA-N 1 0 487.649 2.689 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292126678 1064876946 /nfs/dbraw/zinc/87/69/46/1064876946.db2.gz NJZHSAOVELMGHX-FYYLOGMGSA-N 1 0 489.709 2.618 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCSC(F)(F)F ZINC001292126657 1064876993 /nfs/dbraw/zinc/87/69/93/1064876993.db2.gz NFEKTJILAAYCIS-HNNXBMFYSA-N 1 0 478.585 2.608 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292126763 1064877487 /nfs/dbraw/zinc/87/74/87/1064877487.db2.gz TYRXZCCHJPDANJ-IBGZPJMESA-N 1 0 473.666 2.662 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC(=O)Nc1ccc(F)cc1 ZINC001292126793 1064878130 /nfs/dbraw/zinc/87/81/30/1064878130.db2.gz UOWJDPSOILWGLP-UHFFFAOYSA-N 1 0 471.581 2.649 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001292127046 1064879165 /nfs/dbraw/zinc/87/91/65/1064879165.db2.gz UIDJIKZVGGKEDR-FPOVZHCZSA-N 1 0 483.661 2.869 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1C[C@@H]1CCCc2cccnc21 ZINC001292127045 1064879310 /nfs/dbraw/zinc/87/93/10/1064879310.db2.gz UIDJIKZVGGKEDR-CTNGQTDRSA-N 1 0 483.661 2.869 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292127290 1064881533 /nfs/dbraw/zinc/88/15/33/1064881533.db2.gz ZKYKZDRBWNZWQS-QFIPXVFZSA-N 1 0 489.709 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001292132368 1064885675 /nfs/dbraw/zinc/88/56/75/1064885675.db2.gz AKMFWCJGRGPZSH-QHCPKHFHSA-N 1 0 495.672 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001292133885 1064890054 /nfs/dbraw/zinc/89/00/54/1064890054.db2.gz KOEOXUDZTLMQGX-LEWJYISDSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292137738 1064904650 /nfs/dbraw/zinc/90/46/50/1064904650.db2.gz WRTDQRVUSJUHBG-IBVKSMDESA-N 1 0 491.725 2.864 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141553 1064909463 /nfs/dbraw/zinc/90/94/63/1064909463.db2.gz LLTBRCGVCGYHGZ-VQIMIIECSA-N 1 0 451.493 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001292143504 1064912713 /nfs/dbraw/zinc/91/27/13/1064912713.db2.gz GBWXEEQDYVVBOA-IBGZPJMESA-N 1 0 488.637 2.730 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3cnn(CC)c3)C2)n1CC[NH+]1CCC(C)CC1 ZINC001292145749 1064921415 /nfs/dbraw/zinc/92/14/15/1064921415.db2.gz WOWDXBREILKIDX-QFIPXVFZSA-N 1 0 486.665 2.723 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC[C@@H]2C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001292146168 1064923142 /nfs/dbraw/zinc/92/31/42/1064923142.db2.gz LVOQHRKVPBBFTQ-SFHVURJKSA-N 1 0 455.607 2.733 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001292159034 1064939494 /nfs/dbraw/zinc/93/94/94/1064939494.db2.gz CFUPTGDCLBMHFR-FQEVSTJZSA-N 1 0 476.666 2.847 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001292160454 1064942427 /nfs/dbraw/zinc/94/24/27/1064942427.db2.gz QHBKSFQXSXBHRO-BRWVUGGUSA-N 1 0 458.529 2.545 20 0 JFADRO CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)Oc1ccccc1F ZINC001292160614 1064942931 /nfs/dbraw/zinc/94/29/31/1064942931.db2.gz RJCUMTNHSSCDJW-PMACEKPBSA-N 1 0 488.608 2.668 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1)[NH+]1CCCC1 ZINC001292164694 1064951092 /nfs/dbraw/zinc/95/10/92/1064951092.db2.gz RMWGHVRABTULMQ-IBGZPJMESA-N 1 0 475.588 2.896 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCC1 ZINC001292165475 1064952184 /nfs/dbraw/zinc/95/21/84/1064952184.db2.gz VMYBWOOGWKDNEY-JTHBVZDNSA-N 1 0 495.672 2.937 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001292165667 1064953082 /nfs/dbraw/zinc/95/30/82/1064953082.db2.gz PAKJOFAZAXTEAF-CPJSRVTESA-N 1 0 476.666 2.847 20 0 JFADRO CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292173180 1064961107 /nfs/dbraw/zinc/96/11/07/1064961107.db2.gz PCUWVSVHTYFPIP-ZRCGQRJVSA-N 1 0 484.645 2.506 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+]1CCCC1 ZINC001292173443 1064961615 /nfs/dbraw/zinc/96/16/15/1064961615.db2.gz HCQMAXRXZDLDKX-HTAPYJJXSA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292173918 1064963115 /nfs/dbraw/zinc/96/31/15/1064963115.db2.gz KBUKZUORSNEEMG-GOSISDBHSA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1)[NH+]1CCCC1 ZINC001292176662 1064967394 /nfs/dbraw/zinc/96/73/94/1064967394.db2.gz ZJAMKGIGFOFHPA-FUHWJXTLSA-N 1 0 481.066 2.979 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC001292178574 1064968579 /nfs/dbraw/zinc/96/85/79/1064968579.db2.gz INCGCPWPYBYSLI-UHFFFAOYSA-N 1 0 454.571 2.833 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001292179597 1064970015 /nfs/dbraw/zinc/97/00/15/1064970015.db2.gz WMKMQZJKFLCAHP-GOSISDBHSA-N 1 0 454.656 2.868 20 0 JFADRO COCc1c(C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cnn1-c1ccccc1 ZINC001292179571 1064970032 /nfs/dbraw/zinc/97/00/32/1064970032.db2.gz VIPYVVBOUYWWLV-UHFFFAOYSA-N 1 0 455.603 2.575 20 0 JFADRO CC[C@H](Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001292179403 1064970058 /nfs/dbraw/zinc/97/00/58/1064970058.db2.gz JQXGAKYWMIBBOS-HXUWFJFHSA-N 1 0 489.617 2.697 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001292183241 1064973728 /nfs/dbraw/zinc/97/37/28/1064973728.db2.gz BXSCTFMCEQXBTG-LJQANCHMSA-N 1 0 490.674 2.574 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001292184945 1064976530 /nfs/dbraw/zinc/97/65/30/1064976530.db2.gz HYQMKUZDTCVDEO-OAQYLSRUSA-N 1 0 474.053 2.683 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NCCOC)CC1)[NH+]1CCCC1 ZINC001292187772 1064980490 /nfs/dbraw/zinc/98/04/90/1064980490.db2.gz YJNFMZTTXYIYLX-HXUWFJFHSA-N 1 0 490.052 2.847 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292187844 1064980503 /nfs/dbraw/zinc/98/05/03/1064980503.db2.gz ZPGBMOKHTIQSIK-WBVHZDCISA-N 1 0 455.028 2.737 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292187842 1064980664 /nfs/dbraw/zinc/98/06/64/1064980664.db2.gz ZPGBMOKHTIQSIK-NVXWUHKLSA-N 1 0 455.028 2.737 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292196925 1064988700 /nfs/dbraw/zinc/98/87/00/1064988700.db2.gz CBSTWNGBYXKEKS-SFHVURJKSA-N 1 0 478.638 2.819 20 0 JFADRO C[C@H]1Cn2nc(C(=O)NCc3ccccc3OCC[NH+](C)C)cc2CN1C(=O)OC(C)(C)C ZINC001292196770 1064988737 /nfs/dbraw/zinc/98/87/37/1064988737.db2.gz QMYZTQJLZWPCCW-KRWDZBQOSA-N 1 0 457.575 2.893 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C)[NH+]1CCCC1 ZINC001292212192 1065002875 /nfs/dbraw/zinc/00/28/75/1065002875.db2.gz RELNWITWIFIYOX-BHDDXSALSA-N 1 0 483.661 2.890 20 0 JFADRO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)OC ZINC001292212784 1065003127 /nfs/dbraw/zinc/00/31/27/1065003127.db2.gz WLZTXKYQQLQKGQ-FGTMMUONSA-N 1 0 453.591 2.536 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292218835 1065005185 /nfs/dbraw/zinc/00/51/85/1065005185.db2.gz JNFWYDZNTJWHAN-HBMCJLEFSA-N 1 0 492.665 2.982 20 0 JFADRO CC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001292221885 1065007764 /nfs/dbraw/zinc/00/77/64/1065007764.db2.gz BYRDNISHMXOHRJ-LEWJYISDSA-N 1 0 492.665 2.670 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+]1CCCC1 ZINC001292222612 1065009362 /nfs/dbraw/zinc/00/93/62/1065009362.db2.gz FBBFSLNCTUXGQP-FPOVZHCZSA-N 1 0 476.647 2.562 20 0 JFADRO CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](C2CCC2)CC1)OC ZINC001292222922 1065009756 /nfs/dbraw/zinc/00/97/56/1065009756.db2.gz GXLZTJNZZAITAH-WOJBJXKFSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCCC1 ZINC001292223858 1065010681 /nfs/dbraw/zinc/01/06/81/1065010681.db2.gz LPTWMCIZXJGYPJ-GUDVDZBRSA-N 1 0 496.703 2.744 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccccc1 ZINC001292226983 1065014654 /nfs/dbraw/zinc/01/46/54/1065014654.db2.gz VAJQJHSNYDJFCI-GGAORHGYSA-N 1 0 468.646 2.966 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CCCC(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292226996 1065014713 /nfs/dbraw/zinc/01/47/13/1065014713.db2.gz VCCGNSWGDXNQAU-YADHBBJMSA-N 1 0 454.619 2.581 20 0 JFADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292229795 1065016889 /nfs/dbraw/zinc/01/68/89/1065016889.db2.gz HOJFOSVUIISZTQ-BJKOFHAPSA-N 1 0 468.646 2.655 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001292229628 1065016974 /nfs/dbraw/zinc/01/69/74/1065016974.db2.gz GQGWFXOZSQAPKZ-QFIPXVFZSA-N 1 0 488.080 2.607 20 0 JFADRO CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292230501 1065017571 /nfs/dbraw/zinc/01/75/71/1065017571.db2.gz NNAFAKBGLWEVIL-SFHVURJKSA-N 1 0 460.573 2.984 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001292237051 1065021608 /nfs/dbraw/zinc/02/16/08/1065021608.db2.gz SAGQVLSNWYBZEF-HKUYNNGSSA-N 1 0 479.551 2.643 20 0 JFADRO CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292243248 1065025906 /nfs/dbraw/zinc/02/59/06/1065025906.db2.gz JSLWNOFYNJCGGP-FPOVZHCZSA-N 1 0 459.664 2.861 20 0 JFADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292244098 1065027868 /nfs/dbraw/zinc/02/78/68/1065027868.db2.gz XHIFGPMUYYJHIF-SFTDATJTSA-N 1 0 466.696 2.651 20 0 JFADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292244096 1065027889 /nfs/dbraw/zinc/02/78/89/1065027889.db2.gz XHIFGPMUYYJHIF-NHCUHLMSSA-N 1 0 466.696 2.651 20 0 JFADRO CC[C@H](Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292244095 1065027949 /nfs/dbraw/zinc/02/79/49/1065027949.db2.gz XHIFGPMUYYJHIF-LEWJYISDSA-N 1 0 466.696 2.651 20 0 JFADRO CC[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001292251606 1065033584 /nfs/dbraw/zinc/03/35/84/1065033584.db2.gz JKXKSCMKNWCSSO-JOCHJYFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292252222 1065034525 /nfs/dbraw/zinc/03/45/25/1065034525.db2.gz OPOXEVRVMJCJOQ-TZIWHRDSSA-N 1 0 461.632 2.663 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1)OC ZINC001292256553 1065038799 /nfs/dbraw/zinc/03/87/99/1065038799.db2.gz TXMNNIJBNMMHQF-NRFANRHFSA-N 1 0 461.582 2.970 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001292263175 1065041836 /nfs/dbraw/zinc/04/18/36/1065041836.db2.gz YSRDFXRTGLCSEN-OALUTQOASA-N 1 0 498.694 2.705 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001292267917 1065047412 /nfs/dbraw/zinc/04/74/12/1065047412.db2.gz NUPNXCFUDACGJD-VQTJNVASSA-N 1 0 492.690 2.540 20 0 JFADRO O=C(Nc1ncn(Cc2cccc(Br)c2)n1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001292278185 1065054368 /nfs/dbraw/zinc/05/43/68/1065054368.db2.gz MPSNEWPATCVCOJ-NRFANRHFSA-N 1 0 456.344 2.664 20 0 JFADRO CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292280773 1065055670 /nfs/dbraw/zinc/05/56/70/1065055670.db2.gz YRVWKLPIOPCKIF-NHCUHLMSSA-N 1 0 454.619 2.881 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001292283776 1065057266 /nfs/dbraw/zinc/05/72/66/1065057266.db2.gz JXOYKPWCOSOAKY-OAQYLSRUSA-N 1 0 462.683 2.718 20 0 JFADRO CCC(O)(CC)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292284941 1065059128 /nfs/dbraw/zinc/05/91/28/1065059128.db2.gz QSYMIIQZHUGFJX-QFIPXVFZSA-N 1 0 462.683 2.718 20 0 JFADRO CC[C@@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)O1 ZINC001292295028 1065066870 /nfs/dbraw/zinc/06/68/70/1065066870.db2.gz FEIFTNZLFFTGGO-BWKNWUBXSA-N 1 0 486.665 2.561 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001292334018 1065089919 /nfs/dbraw/zinc/08/99/19/1065089919.db2.gz ZAOCSBIVUTXRAH-PQNGQFLHSA-N 1 0 490.674 2.540 20 0 JFADRO CC[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001292339564 1065090753 /nfs/dbraw/zinc/09/07/53/1065090753.db2.gz MLZFEPOYTXZVAT-PXDATVDWSA-N 1 0 453.635 2.833 20 0 JFADRO C[NH+](C)CCSc1nc(CC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC001292350598 1065095686 /nfs/dbraw/zinc/09/56/86/1065095686.db2.gz CFWUOYDNHMOEDP-LJQANCHMSA-N 1 0 452.621 2.668 20 0 JFADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001292372188 1065116494 /nfs/dbraw/zinc/11/64/94/1065116494.db2.gz ZLBIAKBXDDSTAW-OFNKIYASSA-N 1 0 467.680 2.842 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001292377475 1065120183 /nfs/dbraw/zinc/12/01/83/1065120183.db2.gz ZTFCCAHXBQKAFR-RPMNLZPZSA-N 1 0 479.666 2.895 20 0 JFADRO CC[C@@]1(C)CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001292377477 1065120227 /nfs/dbraw/zinc/12/02/27/1065120227.db2.gz ZTFCCAHXBQKAFR-YKUDZUIHSA-N 1 0 479.666 2.895 20 0 JFADRO COCCn1cc(N2C[C@H](C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC2=O)cn1 ZINC001292378233 1065121438 /nfs/dbraw/zinc/12/14/38/1065121438.db2.gz NWYILXFOMOPIAG-JOCHJYFZSA-N 1 0 453.587 2.575 20 0 JFADRO CCC1(CC)CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001292394818 1065134629 /nfs/dbraw/zinc/13/46/29/1065134629.db2.gz WYHCWWKGYQOFBS-IBGZPJMESA-N 1 0 487.674 2.884 20 0 JFADRO 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CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@@](C)(C(N)=O)C2)[NH+](C)C)cc1 ZINC001292458648 1065182337 /nfs/dbraw/zinc/18/23/37/1065182337.db2.gz AGQAGZAXRICUQE-BKMJKUGQSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001292459802 1065186005 /nfs/dbraw/zinc/18/60/05/1065186005.db2.gz DZSFBASJYRYJHD-HTAPYJJXSA-N 1 0 465.689 2.814 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3ccccn3)nnc2N(C)CCN2CCOCC2)[NH+](C)C)cc1 ZINC001292460485 1065187739 /nfs/dbraw/zinc/18/77/39/1065187739.db2.gz YDIIZZFUNIYEIL-XMMPIXPASA-N 1 0 463.630 2.974 20 0 JFADRO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001292478652 1065202865 /nfs/dbraw/zinc/20/28/65/1065202865.db2.gz IHGLQABMMOPCJI-WOJBJXKFSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001292486295 1065207792 /nfs/dbraw/zinc/20/77/92/1065207792.db2.gz YHTWRLGHSKFPDO-HRFSGMKKSA-N 1 0 482.673 2.951 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001292488605 1065210192 /nfs/dbraw/zinc/21/01/92/1065210192.db2.gz OVBWQRLOJPXAQI-GOTSBHOMSA-N 1 0 468.646 2.956 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2CC[N@H+](C)CCCOC)cc1 ZINC001292496151 1065214577 /nfs/dbraw/zinc/21/45/77/1065214577.db2.gz GJJQRZXFAJJGIA-UHFFFAOYSA-N 1 0 454.619 2.582 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC001292497120 1065215933 /nfs/dbraw/zinc/21/59/33/1065215933.db2.gz AVXWOWJJISLKKX-NRFANRHFSA-N 1 0 474.675 2.615 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2C[C@@H](COC)OC)cc1 ZINC001292497266 1065216383 /nfs/dbraw/zinc/21/63/83/1065216383.db2.gz DNSKLASUSRQTEF-RPWUZVMVSA-N 1 0 470.662 2.774 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001292509669 1065227935 /nfs/dbraw/zinc/22/79/35/1065227935.db2.gz UWQFBNOOZCPZDZ-ICSRJNTNSA-N 1 0 462.664 2.565 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001292513221 1065232815 /nfs/dbraw/zinc/23/28/15/1065232815.db2.gz AMGQVRKYUZVNKJ-WOJBJXKFSA-N 1 0 483.661 2.857 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2Cc2cnn(C)c2C)cc1 ZINC001292513434 1065233123 /nfs/dbraw/zinc/23/31/23/1065233123.db2.gz FPRIZWSNEDKURQ-UHFFFAOYSA-N 1 0 478.645 2.588 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)NC(C)C)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001292518714 1065243442 /nfs/dbraw/zinc/24/34/42/1065243442.db2.gz WMBVFXRXSIBUNO-JOCHJYFZSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)n2C[C@](C)(O)CC)cc1 ZINC001292520801 1065246519 /nfs/dbraw/zinc/24/65/19/1065246519.db2.gz UPWCYVIBHREUNG-RPLLCQBOSA-N 1 0 484.689 2.900 20 0 JFADRO O=C(NC[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523695 1065248295 /nfs/dbraw/zinc/24/82/95/1065248295.db2.gz JMDRWAJZGOZSDB-NBGIEHNGSA-N 1 0 454.546 2.823 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](OC)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001292532763 1065255943 /nfs/dbraw/zinc/25/59/43/1065255943.db2.gz LXBNBSRZGOEFAC-FGZHOGPDSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001292540520 1065262959 /nfs/dbraw/zinc/26/29/59/1065262959.db2.gz GBQONNUUPDRZCW-SFHVURJKSA-N 1 0 462.664 2.614 20 0 JFADRO CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1 ZINC001292548191 1065268385 /nfs/dbraw/zinc/26/83/85/1065268385.db2.gz PWLSXXYZOICQAG-KRWDZBQOSA-N 1 0 460.648 2.778 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(-c2ccccn2)n1CCC[NH+]1CCC(O)CC1 ZINC001292575583 1065284764 /nfs/dbraw/zinc/28/47/64/1065284764.db2.gz CQWVBQNCNZMVOA-UHFFFAOYSA-N 1 0 477.613 2.824 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292578801 1065291751 /nfs/dbraw/zinc/29/17/51/1065291751.db2.gz POLLJCANMXYYHM-NQIIRXRSSA-N 1 0 467.618 2.598 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC001292590011 1065307032 /nfs/dbraw/zinc/30/70/32/1065307032.db2.gz JMOODDZPFPJTNG-BSWQBHCVSA-N 1 0 456.587 2.970 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(CC(N)=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292598601 1065319691 /nfs/dbraw/zinc/31/96/91/1065319691.db2.gz LGVQOVKMXDSTOV-RUZDIDTESA-N 1 0 486.686 2.949 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC(=O)N(C)C ZINC001292600101 1065321293 /nfs/dbraw/zinc/32/12/93/1065321293.db2.gz BAGGUNDYQLDQQH-UHFFFAOYSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](CC(N)=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292604432 1065328846 /nfs/dbraw/zinc/32/88/46/1065328846.db2.gz UUKIPRHTACOOGM-UXHICEINSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@H](C)[NH+](C)C ZINC001292606924 1065332500 /nfs/dbraw/zinc/33/25/00/1065332500.db2.gz UXVKJLHYPPYDNT-FPOVZHCZSA-N 1 0 454.619 2.961 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292606608 1065332515 /nfs/dbraw/zinc/33/25/15/1065332515.db2.gz SBPYDAJRNHPYOL-FPOVZHCZSA-N 1 0 475.659 2.775 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@H](C)[NH+](C)C ZINC001292606927 1065333032 /nfs/dbraw/zinc/33/30/32/1065333032.db2.gz UXVKJLHYPPYDNT-PZJWPPBQSA-N 1 0 454.619 2.961 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCCN(CC)C(=O)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292609109 1065335020 /nfs/dbraw/zinc/33/50/20/1065335020.db2.gz IQWNKEDMJDHGOS-QHCPKHFHSA-N 1 0 498.672 2.835 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292610830 1065339722 /nfs/dbraw/zinc/33/97/22/1065339722.db2.gz VLLPKYUCOSKWQV-WOJBJXKFSA-N 1 0 484.645 2.586 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001292614213 1065342508 /nfs/dbraw/zinc/34/25/08/1065342508.db2.gz DWYPIISYVYMAKJ-QUCCMNQESA-N 1 0 456.591 2.791 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001292614173 1065342636 /nfs/dbraw/zinc/34/26/36/1065342636.db2.gz DASVBFJTTKXMTQ-TZIWHRDSSA-N 1 0 469.634 2.706 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001292614211 1065342657 /nfs/dbraw/zinc/34/26/57/1065342657.db2.gz DWYPIISYVYMAKJ-AZUAARDMSA-N 1 0 456.591 2.791 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001292614689 1065345361 /nfs/dbraw/zinc/34/53/61/1065345361.db2.gz ILVXTZCAGXOXEI-OAQYLSRUSA-N 1 0 498.672 2.883 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC1([NH+](C)C)CCCC1 ZINC001292619754 1065355967 /nfs/dbraw/zinc/35/59/67/1065355967.db2.gz WLPYQKYRFWCUJT-QFIPXVFZSA-N 1 0 484.645 2.635 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001292620238 1065357271 /nfs/dbraw/zinc/35/72/71/1065357271.db2.gz ZYBGWZWKERMSPS-HXUWFJFHSA-N 1 0 475.659 2.775 20 0 JFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2 ZINC001292635971 1065373964 /nfs/dbraw/zinc/37/39/64/1065373964.db2.gz PLDZKZYYQYXOTG-INIZCTEOSA-N 1 0 458.584 2.755 20 0 JFADRO CCc1cnc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CC[NH+](C)CC2)s1 ZINC001292641653 1065377419 /nfs/dbraw/zinc/37/74/19/1065377419.db2.gz MTTQPSYOQPKLHZ-MRXNPFEDSA-N 1 0 498.744 2.663 20 0 JFADRO CCc1cnc(CN(C)c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2CCCO[C@H](C)C2)s1 ZINC001292646923 1065381999 /nfs/dbraw/zinc/38/19/99/1065381999.db2.gz GTTGANYOZOKNIS-GOSISDBHSA-N 1 0 475.663 2.557 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC001292660056 1065395384 /nfs/dbraw/zinc/39/53/84/1065395384.db2.gz JWYQMIMSKFXXNH-GJZGRUSLSA-N 1 0 457.356 2.627 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC001292660461 1065396678 /nfs/dbraw/zinc/39/66/78/1065396678.db2.gz LUWHUWHICIXQNB-IAGOWNOFSA-N 1 0 455.384 2.851 20 0 JFADRO CCc1csc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCC(O)CC3)C2)n1 ZINC001292665909 1065401992 /nfs/dbraw/zinc/40/19/92/1065401992.db2.gz NUPYFNOKQGJFHH-SFHVURJKSA-N 1 0 489.690 2.666 20 0 JFADRO CCc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)o1 ZINC001292690313 1065436825 /nfs/dbraw/zinc/43/68/25/1065436825.db2.gz CKCQJHUZCBPUGI-FQEVSTJZSA-N 1 0 453.591 2.718 20 0 JFADRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCCNC(=O)c1ccc(Br)cc1 ZINC001292694079 1065441434 /nfs/dbraw/zinc/44/14/34/1065441434.db2.gz KBWQRVLIULQSQO-UHFFFAOYSA-N 1 0 452.393 2.720 20 0 JFADRO CCc1nc(CCn2c(Cn3nc(C)cc3C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cs1 ZINC001292717352 1065472574 /nfs/dbraw/zinc/47/25/74/1065472574.db2.gz FYLUVAYIYIGVQX-IBGZPJMESA-N 1 0 472.663 2.558 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cs1 ZINC001292727796 1065488265 /nfs/dbraw/zinc/48/82/65/1065488265.db2.gz BPZOSWPFEZOMIF-GOSISDBHSA-N 1 0 471.679 2.608 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCCC2)cs1 ZINC001292729562 1065491869 /nfs/dbraw/zinc/49/18/69/1065491869.db2.gz UKYKSPBDSRWWJN-QGZVFWFLSA-N 1 0 466.677 2.712 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCCCCC2)cs1 ZINC001292729561 1065491931 /nfs/dbraw/zinc/49/19/31/1065491931.db2.gz UKYKSPBDSRWWJN-KRWDZBQOSA-N 1 0 466.677 2.712 20 0 JFADRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001292742112 1065502146 /nfs/dbraw/zinc/50/21/46/1065502146.db2.gz OCOWEASOVPOJFL-QFIPXVFZSA-N 1 0 451.571 2.548 20 0 JFADRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001292753493 1065509832 /nfs/dbraw/zinc/50/98/32/1065509832.db2.gz HUPJMBGVBMEUOC-SFHVURJKSA-N 1 0 459.612 2.632 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001292755929 1065511463 /nfs/dbraw/zinc/51/14/63/1065511463.db2.gz DWANKYMALGHWQZ-IBGZPJMESA-N 1 0 470.666 2.635 20 0 JFADRO CCc1nnc(Cn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)s1 ZINC001292790455 1065551306 /nfs/dbraw/zinc/55/13/06/1065551306.db2.gz HHNWBEOCWMRINQ-MRXNPFEDSA-N 1 0 457.604 2.573 20 0 JFADRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC001292810393 1065562832 /nfs/dbraw/zinc/56/28/32/1065562832.db2.gz OLDBOTMFMXLWQA-QFIPXVFZSA-N 1 0 452.958 2.969 20 0 JFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001292811684 1065563186 /nfs/dbraw/zinc/56/31/86/1065563186.db2.gz KQULIYIICMSNJT-JOCHJYFZSA-N 1 0 450.986 2.773 20 0 JFADRO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001292813583 1065563679 /nfs/dbraw/zinc/56/36/79/1065563679.db2.gz LSZVUXZIGYVRTH-UHFFFAOYSA-N 1 0 467.662 2.609 20 0 JFADRO CCc1nnc(N(C)C2CCN(C(=O)c3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292813832 1065564751 /nfs/dbraw/zinc/56/47/51/1065564751.db2.gz RHJBDICJPFPAFO-UHFFFAOYSA-N 1 0 467.662 2.608 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC[C@](C)(O)c1ccccc1 ZINC001292818279 1065566766 /nfs/dbraw/zinc/56/67/66/1065566766.db2.gz XQJZKEKFPMFKSK-VWLOTQADSA-N 1 0 451.619 2.936 20 0 JFADRO CCc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001292833513 1065570412 /nfs/dbraw/zinc/57/04/12/1065570412.db2.gz JCEKOQZZESURQK-UHFFFAOYSA-N 1 0 475.659 2.916 20 0 JFADRO COC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CN(C(=O)OC(C)(C)C)CCO1 ZINC001292850559 1065575615 /nfs/dbraw/zinc/57/56/15/1065575615.db2.gz MQJCREBAXWDFFU-RDPSFJRHSA-N 1 0 453.624 2.754 20 0 JFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC001292877997 1065583128 /nfs/dbraw/zinc/58/31/28/1065583128.db2.gz QKEFUAZVWCRVQG-QFIPXVFZSA-N 1 0 455.521 2.714 20 0 JFADRO CCCCCCn1nc(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc2c1=O ZINC001292878193 1065583141 /nfs/dbraw/zinc/58/31/41/1065583141.db2.gz XYWRBRALVINWAN-UHFFFAOYSA-N 1 0 455.603 2.649 20 0 JFADRO CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC001292879752 1065584022 /nfs/dbraw/zinc/58/40/22/1065584022.db2.gz CASZNNQITDLYFT-QHCPKHFHSA-N 1 0 450.583 2.759 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1ccccc1C ZINC001292892388 1065589612 /nfs/dbraw/zinc/58/96/12/1065589612.db2.gz CTKSBHYUTTZFJP-IFMALSPDSA-N 1 0 454.619 2.607 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](SC)C(C)(C)C ZINC001292892893 1065591857 /nfs/dbraw/zinc/59/18/57/1065591857.db2.gz IRDKDPFEJXNHBG-DFQSSKMNSA-N 1 0 450.697 2.997 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893119 1065591897 /nfs/dbraw/zinc/59/18/97/1065591897.db2.gz LFWNMNDSNAAIBB-DENIHFKCSA-N 1 0 454.619 2.585 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893544 1065594782 /nfs/dbraw/zinc/59/47/82/1065594782.db2.gz PDQQFXBGXFRFIK-YLJYHZDGSA-N 1 0 494.562 2.819 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894282 1065595386 /nfs/dbraw/zinc/59/53/86/1065595386.db2.gz WKOSWDMQBIPXEG-DYESRHJHSA-N 1 0 493.578 2.876 20 0 JFADRO Cn1cc([C@@H]2[C@H](C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001292922869 1065609989 /nfs/dbraw/zinc/60/99/89/1065609989.db2.gz MFUXWUDCGYEFPZ-FYYLOGMGSA-N 1 0 455.603 2.755 20 0 JFADRO CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001292953640 1065633908 /nfs/dbraw/zinc/63/39/08/1065633908.db2.gz VJDVMYFWIJIACB-UHFFFAOYSA-N 1 0 455.607 2.708 20 0 JFADRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 ZINC001292958632 1065636100 /nfs/dbraw/zinc/63/61/00/1065636100.db2.gz YEULVWAQEJTAFL-UHFFFAOYSA-N 1 0 454.438 2.903 20 0 JFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959107 1065637088 /nfs/dbraw/zinc/63/70/88/1065637088.db2.gz TXAIYHYQXRPBGO-HXUWFJFHSA-N 1 0 458.550 2.921 20 0 JFADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001292960870 1065640481 /nfs/dbraw/zinc/64/04/81/1065640481.db2.gz LYQNNAMNOGVPIX-HDICACEKSA-N 1 0 455.607 2.568 20 0 JFADRO CC(C)CN(C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C1CC[NH+](C)CC1 ZINC001292965238 1065645856 /nfs/dbraw/zinc/64/58/56/1065645856.db2.gz AMBGSACBAQKESH-UHFFFAOYSA-N 1 0 458.607 2.989 20 0 JFADRO C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)N1CC[NH+](C)CC1 ZINC001292967655 1065647395 /nfs/dbraw/zinc/64/73/95/1065647395.db2.gz ZVLLLLDVSAZDFC-CYBMUJFWSA-N 1 0 457.415 2.935 20 0 JFADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCC[N@@H+](C)CC3)cc2)cc1C ZINC001292968920 1065648269 /nfs/dbraw/zinc/64/82/69/1065648269.db2.gz XWQXPKUJMZKDLK-UHFFFAOYSA-N 1 0 458.628 2.862 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292969963 1065649503 /nfs/dbraw/zinc/64/95/03/1065649503.db2.gz DDPQWAMEKZXKRW-HXUWFJFHSA-N 1 0 466.627 2.533 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H](C)Oc1ccccc1OC ZINC001292979174 1065660519 /nfs/dbraw/zinc/66/05/19/1065660519.db2.gz MWPSWOOMOBKMDO-NHCUHLMSSA-N 1 0 456.635 2.921 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001292981080 1065665143 /nfs/dbraw/zinc/66/51/43/1065665143.db2.gz CAJRIMNQTONWGF-VXKWHMMOSA-N 1 0 484.645 2.949 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1 ZINC001292987495 1065673880 /nfs/dbraw/zinc/67/38/80/1065673880.db2.gz RSKQVEGWRCXFFU-UHFFFAOYSA-N 1 0 451.493 2.807 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC001292988123 1065675629 /nfs/dbraw/zinc/67/56/29/1065675629.db2.gz YOZVKNDECJNZJI-HXUWFJFHSA-N 1 0 451.995 2.876 20 0 JFADRO CCCC[N@H+](C)CC1CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 ZINC001292993408 1065680859 /nfs/dbraw/zinc/68/08/59/1065680859.db2.gz OXGVBGBJZUNLMA-UHFFFAOYSA-N 1 0 451.571 2.800 20 0 JFADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001292994612 1065682719 /nfs/dbraw/zinc/68/27/19/1065682719.db2.gz LWHDEKCITJMQLR-JGCGQSQUSA-N 1 0 459.660 2.849 20 0 JFADRO CCc1nnc(N2CCC[C@@H](Nc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293044509 1065709218 /nfs/dbraw/zinc/70/92/18/1065709218.db2.gz KWPKSZNKTJZGGE-YADHBBJMSA-N 1 0 453.635 2.864 20 0 JFADRO CCc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293048418 1065711904 /nfs/dbraw/zinc/71/19/04/1065711904.db2.gz SGLORXCFJLNSEU-PZJWPPBQSA-N 1 0 466.696 2.936 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293063282 1065716669 /nfs/dbraw/zinc/71/66/69/1065716669.db2.gz ZZLNPJKPQGURGN-LJQANCHMSA-N 1 0 460.648 2.755 20 0 JFADRO CCc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001293070197 1065723427 /nfs/dbraw/zinc/72/34/27/1065723427.db2.gz DJBIYLJKHAEAQA-HXUWFJFHSA-N 1 0 460.648 2.616 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 ZINC001293071032 1065724154 /nfs/dbraw/zinc/72/41/54/1065724154.db2.gz GIUSUTLWRIINBR-QHAWAJNXSA-N 1 0 455.640 2.998 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(C)cc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293076764 1065727605 /nfs/dbraw/zinc/72/76/05/1065727605.db2.gz ASDSHHRIINAONK-NRFANRHFSA-N 1 0 454.619 2.612 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001293080855 1065729782 /nfs/dbraw/zinc/72/97/82/1065729782.db2.gz BMPAWEADUQSANY-UHFFFAOYSA-N 1 0 461.010 2.569 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001293082153 1065731918 /nfs/dbraw/zinc/73/19/18/1065731918.db2.gz VANMOPYMUAVANK-WOJBJXKFSA-N 1 0 454.619 2.877 20 0 JFADRO CCc1nnc(N2CCN(C(=O)Cc3ccccc3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293082893 1065732882 /nfs/dbraw/zinc/73/28/82/1065732882.db2.gz AMEBPPHSBKLXOY-VXKWHMMOSA-N 1 0 482.673 2.928 20 0 JFADRO CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293087796 1065737340 /nfs/dbraw/zinc/73/73/40/1065737340.db2.gz ZLSCQOMEDKRIQP-QFIPXVFZSA-N 1 0 473.710 2.733 20 0 JFADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293089687 1065738527 /nfs/dbraw/zinc/73/85/27/1065738527.db2.gz PFRUYOYVTFDMRC-GOSISDBHSA-N 1 0 450.628 2.521 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001293092934 1065740767 /nfs/dbraw/zinc/74/07/67/1065740767.db2.gz DIUUHLWFHJOMOJ-JOCHJYFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293093080 1065741268 /nfs/dbraw/zinc/74/12/68/1065741268.db2.gz QDJGHLODNWFOAQ-QPPBQGQZSA-N 1 0 467.662 2.701 20 0 JFADRO CCc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293105496 1065753102 /nfs/dbraw/zinc/75/31/02/1065753102.db2.gz WWMIYFDGTPZAKX-UHFFFAOYSA-N 1 0 467.593 2.884 20 0 JFADRO CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293111219 1065756936 /nfs/dbraw/zinc/75/69/36/1065756936.db2.gz NAQNNLHQXIHDQE-GOSISDBHSA-N 1 0 456.620 2.639 20 0 JFADRO CCc1nnc(N2CCN(c3nccc(OC)n3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293111553 1065757886 /nfs/dbraw/zinc/75/78/86/1065757886.db2.gz UYWVOLIZDGZSGO-UHFFFAOYSA-N 1 0 456.639 2.724 20 0 JFADRO CCc1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ccc(OCCO)c(OC)c1 ZINC001293113976 1065760095 /nfs/dbraw/zinc/76/00/95/1065760095.db2.gz XZAKHERWGYBJHY-UHFFFAOYSA-N 1 0 457.619 2.969 20 0 JFADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCCn1cc(Br)cn1 ZINC001293116464 1065763453 /nfs/dbraw/zinc/76/34/53/1065763453.db2.gz MFLBYTYMVYKYDW-KRWDZBQOSA-N 1 0 480.455 2.969 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293118790 1065766234 /nfs/dbraw/zinc/76/62/34/1065766234.db2.gz DTWIEBCNZJEJNL-XZOQPEGZSA-N 1 0 481.689 2.884 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001293120188 1065768832 /nfs/dbraw/zinc/76/88/32/1065768832.db2.gz DPPNFRPITIFGFC-QHCPKHFHSA-N 1 0 467.662 2.714 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001293121057 1065771030 /nfs/dbraw/zinc/77/10/30/1065771030.db2.gz WCDGLOZBNBZIEH-QHCPKHFHSA-N 1 0 485.652 2.807 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293121167 1065771487 /nfs/dbraw/zinc/77/14/87/1065771487.db2.gz YEYMPOPJRUNQLJ-YADHBBJMSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001293121426 1065772935 /nfs/dbraw/zinc/77/29/35/1065772935.db2.gz QYNQJSFRZCDKHW-XPPIMPSXSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293121633 1065773706 /nfs/dbraw/zinc/77/37/06/1065773706.db2.gz CWBCMCGLYSIKKB-IYBDPMFKSA-N 1 0 464.552 2.751 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001293121876 1065774432 /nfs/dbraw/zinc/77/44/32/1065774432.db2.gz WXXOUOMRIVJXTC-UHFFFAOYSA-N 1 0 453.635 2.866 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001293123112 1065775764 /nfs/dbraw/zinc/77/57/64/1065775764.db2.gz FKJPKXJBYHSGBQ-HSZRJFAPSA-N 1 0 451.619 2.905 20 0 JFADRO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293127153 1065777994 /nfs/dbraw/zinc/77/79/94/1065777994.db2.gz HEWBRNQTSBVTOH-HXUWFJFHSA-N 1 0 488.080 2.616 20 0 JFADRO CCc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293127152 1065778070 /nfs/dbraw/zinc/77/80/70/1065778070.db2.gz HEWBRNQTSBVTOH-FQEVSTJZSA-N 1 0 488.080 2.616 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCCN(C)CC(F)(F)F ZINC001293130645 1065782271 /nfs/dbraw/zinc/78/22/71/1065782271.db2.gz JITHXTPRNAIGOC-OALUTQOASA-N 1 0 459.605 2.720 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293130979 1065782585 /nfs/dbraw/zinc/78/25/85/1065782585.db2.gz NXNALVREVHSXRY-FPOVZHCZSA-N 1 0 454.619 2.576 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1ccccc1Cl ZINC001293131349 1065783242 /nfs/dbraw/zinc/78/32/42/1065783242.db2.gz OLQRCLNELUKUNK-OAQYLSRUSA-N 1 0 461.054 2.968 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001293131588 1065784127 /nfs/dbraw/zinc/78/41/27/1065784127.db2.gz PKBJPQDHANNMKG-MOPGFXCFSA-N 1 0 450.628 2.645 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001293139387 1065790122 /nfs/dbraw/zinc/79/01/22/1065790122.db2.gz QZADSPKFRICTQC-UHFFFAOYSA-N 1 0 474.675 2.926 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293139786 1065790935 /nfs/dbraw/zinc/79/09/35/1065790935.db2.gz VKLBDCSIANOXJG-JOCHJYFZSA-N 1 0 474.675 2.613 20 0 JFADRO CCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001293146461 1065792739 /nfs/dbraw/zinc/79/27/39/1065792739.db2.gz HCYDKVKJBWBATQ-LJQANCHMSA-N 1 0 453.509 2.613 20 0 JFADRO CCc1nnc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001293150206 1065793715 /nfs/dbraw/zinc/79/37/15/1065793715.db2.gz QSLLDXPMLSYTLD-HXUWFJFHSA-N 1 0 465.545 2.867 20 0 JFADRO CCc1nnc(N2CCO[C@@H](c3cnn(CC)c3)C2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293157147 1065795977 /nfs/dbraw/zinc/79/59/77/1065795977.db2.gz TUCKYIIMARRQGU-JOCHJYFZSA-N 1 0 453.591 2.624 20 0 JFADRO CCc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001293157145 1065796040 /nfs/dbraw/zinc/79/60/40/1065796040.db2.gz TUAORYYTTVBNIG-FQEVSTJZSA-N 1 0 469.590 2.914 20 0 JFADRO CCc1nnc(N2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]3C2)n1CCC[NH+]1CCC(O)CC1 ZINC001293177839 1065802872 /nfs/dbraw/zinc/80/28/72/1065802872.db2.gz MNLANORKFMXHJJ-ICSRJNTNSA-N 1 0 462.639 2.523 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001293209130 1065842322 /nfs/dbraw/zinc/84/23/22/1065842322.db2.gz VOEWVHPVDACPSH-MRXNPFEDSA-N 1 0 456.620 2.644 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001293209268 1065843442 /nfs/dbraw/zinc/84/34/42/1065843442.db2.gz YFGVLGBOAMFLFV-UHFFFAOYSA-N 1 0 457.652 2.992 20 0 JFADRO Cc1cc(Br)c(N)c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC001293214250 1065847034 /nfs/dbraw/zinc/84/70/34/1065847034.db2.gz GLOZVRYPXLXQJU-QGZVFWFLSA-N 1 0 459.388 2.967 20 0 JFADRO C[C@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001293214189 1065847115 /nfs/dbraw/zinc/84/71/15/1065847115.db2.gz FALLMMDWHCPLDD-PXNSSMCTSA-N 1 0 458.603 2.503 20 0 JFADRO Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c2)c1 ZINC001293211861 1065847231 /nfs/dbraw/zinc/84/72/31/1065847231.db2.gz YFCDATLXULPSBI-NRFANRHFSA-N 1 0 456.612 2.694 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293215010 1065850206 /nfs/dbraw/zinc/85/02/06/1065850206.db2.gz CUBYRUBRKPLJKU-XMSQKQJNSA-N 1 0 481.645 2.984 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293215008 1065850215 /nfs/dbraw/zinc/85/02/15/1065850215.db2.gz CUBYRUBRKPLJKU-GCJKJVERSA-N 1 0 481.645 2.984 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001293215675 1065852612 /nfs/dbraw/zinc/85/26/12/1065852612.db2.gz DZZMXTYNUMDXCD-HXUWFJFHSA-N 1 0 484.004 2.697 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293216884 1065856878 /nfs/dbraw/zinc/85/68/78/1065856878.db2.gz KGYPNXGNRDCNAZ-WIYYLYMNSA-N 1 0 488.608 2.507 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293218870 1065863837 /nfs/dbraw/zinc/86/38/37/1065863837.db2.gz PWNDQMTYZPTIGE-RQNQAMLKSA-N 1 0 484.645 2.554 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC[NH+](CC)CC1 ZINC001293219109 1065863858 /nfs/dbraw/zinc/86/38/58/1065863858.db2.gz MEYJQQHVSJGFOD-SFHVURJKSA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293220517 1065871288 /nfs/dbraw/zinc/87/12/88/1065871288.db2.gz RTHSZBCEYRDOLH-MAUKXSAKSA-N 1 0 478.439 2.871 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001293221103 1065874045 /nfs/dbraw/zinc/87/40/45/1065874045.db2.gz WSPVODZZOQHUCP-LPHOPBHVSA-N 1 0 462.545 2.993 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCCC1 ZINC001293221139 1065874620 /nfs/dbraw/zinc/87/46/20/1065874620.db2.gz XSUZUPOIZDQGRO-MRXNPFEDSA-N 1 0 464.412 2.625 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(F)cc2Br)n1CC[N@H+]1CC=CCC1 ZINC001293229355 1065885035 /nfs/dbraw/zinc/88/50/35/1065885035.db2.gz SWJHWULIXMDHLP-SFHVURJKSA-N 1 0 477.382 2.823 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293240438 1065897769 /nfs/dbraw/zinc/89/77/69/1065897769.db2.gz ZDDQREGGRQJERI-JOCHJYFZSA-N 1 0 453.635 2.737 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293240475 1065898407 /nfs/dbraw/zinc/89/84/07/1065898407.db2.gz ZYVJFJXYOYGHGV-UWJYYQICSA-N 1 0 460.573 2.984 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293241147 1065899935 /nfs/dbraw/zinc/89/99/35/1065899935.db2.gz JQTSMKCKEBPNPT-QZTJIDSGSA-N 1 0 459.645 2.713 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293241687 1065901348 /nfs/dbraw/zinc/90/13/48/1065901348.db2.gz DSGKQEJVMPJSTM-GGAORHGYSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293243136 1065905334 /nfs/dbraw/zinc/90/53/34/1065905334.db2.gz VHCWVLBSUDRSIK-NFBKMPQASA-N 1 0 468.646 2.909 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293243633 1065906695 /nfs/dbraw/zinc/90/66/95/1065906695.db2.gz AFGAGUUAXJUAIN-XMSQKQJNSA-N 1 0 479.050 2.663 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293244062 1065907807 /nfs/dbraw/zinc/90/78/07/1065907807.db2.gz VIILAMVNJJREQF-FYYLOGMGSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293244417 1065908699 /nfs/dbraw/zinc/90/86/99/1065908699.db2.gz DKUJVMJEFGSOEA-OALUTQOASA-N 1 0 484.626 2.945 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CNC(=O)c2cccs2)n1CCC[N@H+](C)C1CCCCC1 ZINC001293244949 1065909108 /nfs/dbraw/zinc/90/91/08/1065909108.db2.gz YDAIEGQODNOCJN-LJQANCHMSA-N 1 0 487.674 2.639 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccccc2F)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293247800 1065912604 /nfs/dbraw/zinc/91/26/04/1065912604.db2.gz QDRATPSGERHNMM-QUCCMNQESA-N 1 0 458.582 2.976 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@@H+]1CCC[C@H]1C ZINC001293248402 1065914428 /nfs/dbraw/zinc/91/44/28/1065914428.db2.gz ZZRNONPQYBRCCC-QZTJIDSGSA-N 1 0 458.632 2.778 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC001293269627 1065927020 /nfs/dbraw/zinc/92/70/20/1065927020.db2.gz RSFBADWXZUYJGT-NRFANRHFSA-N 1 0 454.571 2.526 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)CCCCCCS(N)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC001293271853 1065928663 /nfs/dbraw/zinc/92/86/63/1065928663.db2.gz AVHKGLGZSLIXCK-UHFFFAOYSA-N 1 0 450.527 2.635 20 0 JFADRO O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(Br)c(C(F)(F)F)c1 ZINC001293280768 1065931949 /nfs/dbraw/zinc/93/19/49/1065931949.db2.gz FJPJTDVUVTWSAJ-AWEZNQCLSA-N 1 0 450.299 2.604 20 0 JFADRO CC[C@@H]1c2ccsc2CCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001293287734 1065934723 /nfs/dbraw/zinc/93/47/23/1065934723.db2.gz BIIMCEDJGKGJFN-XYJFISCASA-N 1 0 466.677 2.948 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001293298507 1065939221 /nfs/dbraw/zinc/93/92/21/1065939221.db2.gz QRRBQYPBJVYTOQ-XQBPLPMBSA-N 1 0 474.675 2.962 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293298895 1065939637 /nfs/dbraw/zinc/93/96/37/1065939637.db2.gz DCPDTLPFWHZHQP-BPYKYCOYSA-N 1 0 462.683 2.970 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001293320383 1065947511 /nfs/dbraw/zinc/94/75/11/1065947511.db2.gz HTQUSKTXINQCDA-BURNTYAHSA-N 1 0 496.722 2.746 20 0 JFADRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC001293331629 1065952331 /nfs/dbraw/zinc/95/23/31/1065952331.db2.gz AXLGGBDPEYVXRS-GOSISDBHSA-N 1 0 459.568 2.863 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001293361247 1065964903 /nfs/dbraw/zinc/96/49/03/1065964903.db2.gz UTTAHCCDZWLHLS-HXUWFJFHSA-N 1 0 462.639 2.614 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001293361242 1065964953 /nfs/dbraw/zinc/96/49/53/1065964953.db2.gz UTTAHCCDZWLHLS-FQEVSTJZSA-N 1 0 462.639 2.614 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293362095 1065966036 /nfs/dbraw/zinc/96/60/36/1065966036.db2.gz CUSXBDQGEGQQGU-NNMXDRDESA-N 1 0 470.684 2.548 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001293362650 1065966334 /nfs/dbraw/zinc/96/63/34/1065966334.db2.gz FTEIIZIMYFXRTI-RDJZCZTQSA-N 1 0 478.439 2.967 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293363785 1065967394 /nfs/dbraw/zinc/96/73/94/1065967394.db2.gz AFQWMNDJVDANCS-ACIOBRDBSA-N 1 0 483.661 2.972 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O ZINC001293365989 1065971347 /nfs/dbraw/zinc/97/13/47/1065971347.db2.gz RBYIUGUOXYZUJE-QGZVFWFLSA-N 1 0 455.028 2.739 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001293366268 1065971642 /nfs/dbraw/zinc/97/16/42/1065971642.db2.gz YQRSZMTVRSBTFE-HXUWFJFHSA-N 1 0 458.607 2.842 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368940 1065971981 /nfs/dbraw/zinc/97/19/81/1065971981.db2.gz AIBPKJVNVRDKFI-DLBZAZTESA-N 1 0 482.555 2.882 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369279 1065972566 /nfs/dbraw/zinc/97/25/66/1065972566.db2.gz CXVOWFSWVCCMMW-PMACEKPBSA-N 1 0 461.655 2.677 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2csc(C)n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001293371281 1065973860 /nfs/dbraw/zinc/97/38/60/1065973860.db2.gz DSUMSYRTZGTLDU-WOJBJXKFSA-N 1 0 480.704 2.912 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001293371836 1065975164 /nfs/dbraw/zinc/97/51/64/1065975164.db2.gz GSCLNCSTMVFJNY-OAQYLSRUSA-N 1 0 491.706 2.808 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001293372456 1065975688 /nfs/dbraw/zinc/97/56/88/1065975688.db2.gz OHKXDZLXPFKXHU-IBGZPJMESA-N 1 0 454.685 2.601 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001293372459 1065975837 /nfs/dbraw/zinc/97/58/37/1065975837.db2.gz OHKXDZLXPFKXHU-LJQANCHMSA-N 1 0 454.685 2.601 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001293372664 1065976215 /nfs/dbraw/zinc/97/62/15/1065976215.db2.gz KIHRNHKLESMRTA-QFIPXVFZSA-N 1 0 470.666 2.851 20 0 JFADRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CCOCC1)c1ccccc1 ZINC001293372859 1065976230 /nfs/dbraw/zinc/97/62/30/1065976230.db2.gz ULRRDTOHBNWKTH-OAHLLOKOSA-N 1 0 451.976 2.617 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001293372999 1065976597 /nfs/dbraw/zinc/97/65/97/1065976597.db2.gz LVXFWGTXQJGTPA-RTWAWAEBSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373469 1065977521 /nfs/dbraw/zinc/97/75/21/1065977521.db2.gz QXWYEECKSIRLRW-ROUUACIJSA-N 1 0 459.607 2.926 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001293373549 1065977911 /nfs/dbraw/zinc/97/79/11/1065977911.db2.gz PNPBTYDMIGFZOQ-FCHUYYIVSA-N 1 0 489.686 2.960 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001293373846 1065979221 /nfs/dbraw/zinc/97/92/21/1065979221.db2.gz RZUFMGXMVOIBJE-RBBKRZOGSA-N 1 0 459.683 2.530 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001293373971 1065979774 /nfs/dbraw/zinc/97/97/74/1065979774.db2.gz UEKPMKJENOWYBD-NRFANRHFSA-N 1 0 494.731 2.961 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001293374615 1065980318 /nfs/dbraw/zinc/98/03/18/1065980318.db2.gz YMGXSUCHJOUSHQ-FGZHOGPDSA-N 1 0 491.706 2.808 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374262 1065980396 /nfs/dbraw/zinc/98/03/96/1065980396.db2.gz VLZSQFZDCRBDIC-XZOQPEGZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374649 1065980826 /nfs/dbraw/zinc/98/08/26/1065980826.db2.gz ZGFDCMPAWPAWMD-PKTZIBPZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293375101 1065981088 /nfs/dbraw/zinc/98/10/88/1065981088.db2.gz ZYMZNMVIFLEKHO-VIZSFHNOSA-N 1 0 467.680 2.840 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001293375183 1065981194 /nfs/dbraw/zinc/98/11/94/1065981194.db2.gz BKUMPZVKLNRXEU-QKLQHJQFSA-N 1 0 466.627 2.957 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O ZINC001293376583 1065981462 /nfs/dbraw/zinc/98/14/62/1065981462.db2.gz CVHCCLPDTGFHEJ-OIISXLGYSA-N 1 0 486.593 2.673 20 0 JFADRO CC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001293413106 1065998706 /nfs/dbraw/zinc/99/87/06/1065998706.db2.gz RIZWBWGRJDRHBB-OAQYLSRUSA-N 1 0 454.619 2.800 20 0 JFADRO CC[C@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC[NH+]1CCOCC1 ZINC001293417327 1066000507 /nfs/dbraw/zinc/00/05/07/1066000507.db2.gz VLXMDBKZNAGZNX-NRFANRHFSA-N 1 0 490.674 2.687 20 0 JFADRO CC[C@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293430139 1066003599 /nfs/dbraw/zinc/00/35/99/1066003599.db2.gz MLSYJUIWXXQTLG-RTWAWAEBSA-N 1 0 475.659 2.742 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001293456993 1066013419 /nfs/dbraw/zinc/01/34/19/1066013419.db2.gz ZZEJVOODJUPHAB-IPMKNSEASA-N 1 0 464.636 2.945 20 0 JFADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001293464239 1066016851 /nfs/dbraw/zinc/01/68/51/1066016851.db2.gz QLONHBKPYNFVTR-WZONZLPQSA-N 1 0 492.715 2.869 20 0 JFADRO CCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001293485550 1066022633 /nfs/dbraw/zinc/02/26/33/1066022633.db2.gz RSTVWKYKCUFYIE-QFIPXVFZSA-N 1 0 496.722 2.892 20 0 JFADRO CCC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001293485628 1066023022 /nfs/dbraw/zinc/02/30/22/1066023022.db2.gz SKCUZTVYDLSJJC-RBBKRZOGSA-N 1 0 496.722 2.750 20 0 JFADRO C[C@H]([NH2+]C1(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCCC1)c1ccccc1 ZINC001293486426 1066023802 /nfs/dbraw/zinc/02/38/02/1066023802.db2.gz HVHUDBDLOWXCAD-SFHVURJKSA-N 1 0 457.596 2.775 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2c(F)cccc2SC)CC[N@@H+]1CCOC ZINC001293508000 1066032318 /nfs/dbraw/zinc/03/23/18/1066032318.db2.gz UVSDAEHPNAOREO-GOSISDBHSA-N 1 0 490.649 2.970 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]2c2ccccc2)CC[N@@H+]1CCOC ZINC001293509940 1066034780 /nfs/dbraw/zinc/03/47/80/1066034780.db2.gz KZIAISBENGSLDN-FKBYEOEOSA-N 1 0 454.619 2.767 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCC2(F)F)CC[N@@H+]1CCOC ZINC001293510107 1066035219 /nfs/dbraw/zinc/03/52/19/1066035219.db2.gz PQFKTJZILWMKFQ-RBUKOAKNSA-N 1 0 468.593 2.887 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(C)C)n2CCc2cnc3c(Cl)cnn3c2)CC[N@@H+]1CCOC ZINC001293517141 1066040173 /nfs/dbraw/zinc/04/01/73/1066040173.db2.gz HMMYZHXOZXYVAJ-GOSISDBHSA-N 1 0 461.014 2.887 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CC[N@H+](CC)C(C)C)CCO1 ZINC001293531107 1066050974 /nfs/dbraw/zinc/05/09/74/1066050974.db2.gz KLDAEXLTNSLNOH-IBGZPJMESA-N 1 0 477.679 2.892 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)CCO1 ZINC001293537975 1066055376 /nfs/dbraw/zinc/05/53/76/1066055376.db2.gz UAUOYRSGXBZSRX-GOSISDBHSA-N 1 0 452.397 2.901 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H](C)O1 ZINC001293540971 1066060364 /nfs/dbraw/zinc/06/03/64/1066060364.db2.gz RVBWWYQPWPBQRM-NLWGTHIKSA-N 1 0 461.632 2.837 20 0 JFADRO 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CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001293554863 1066069450 /nfs/dbraw/zinc/06/94/50/1066069450.db2.gz VQYXORPHBBFHRW-VGOFRKELSA-N 1 0 484.428 2.950 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CC[N@@H+]1CCOC ZINC001293555626 1066069824 /nfs/dbraw/zinc/06/98/24/1066069824.db2.gz XJEJEAKOLKONNQ-SJORKVTESA-N 1 0 464.973 2.563 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)c(Br)c3)n2CC2(O)CC2)CC[N@@H+]1CCOC ZINC001293555863 1066069876 /nfs/dbraw/zinc/06/98/76/1066069876.db2.gz MBPUUFMQNNZHRK-KRWDZBQOSA-N 1 0 494.434 2.788 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001293562529 1066075769 /nfs/dbraw/zinc/07/57/69/1066075769.db2.gz ULPCZEULPVKIGT-FQEVSTJZSA-N 1 0 465.602 2.519 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001293565870 1066078006 /nfs/dbraw/zinc/07/80/06/1066078006.db2.gz ASFDNFQVFOSLDE-OFVILXPXSA-N 1 0 450.587 2.795 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001293565872 1066078125 /nfs/dbraw/zinc/07/81/25/1066078125.db2.gz ASFDNFQVFOSLDE-PXDATVDWSA-N 1 0 450.587 2.795 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001293566438 1066079759 /nfs/dbraw/zinc/07/97/59/1066079759.db2.gz FGVIAVCSOVMOFD-ZWKOTPCHSA-N 1 0 465.545 2.925 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1CCOC ZINC001293568678 1066081325 /nfs/dbraw/zinc/08/13/25/1066081325.db2.gz QZMJKJPEYLVNES-RTBURBONSA-N 1 0 481.567 2.771 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC001293570371 1066082184 /nfs/dbraw/zinc/08/21/84/1066082184.db2.gz FLFCWWANGBJJEL-OAQYLSRUSA-N 1 0 465.602 2.859 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001293570590 1066082538 /nfs/dbraw/zinc/08/25/38/1066082538.db2.gz GZPGJDCNMYCNNT-PXDATVDWSA-N 1 0 470.593 2.877 20 0 JFADRO 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CCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001293797024 1066305908 /nfs/dbraw/zinc/30/59/08/1066305908.db2.gz GQLBEQDLVJLHIJ-VWLOTQADSA-N 1 0 472.609 2.917 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001293809712 1066320407 /nfs/dbraw/zinc/32/04/07/1066320407.db2.gz PVAAQWZSGYSOLL-UQBPGWFLSA-N 1 0 473.618 2.672 20 0 JFADRO CCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001293821785 1066329411 /nfs/dbraw/zinc/32/94/11/1066329411.db2.gz VODUJEIXLIPKRN-RDPSFJRHSA-N 1 0 458.582 2.632 20 0 JFADRO CCC[C@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293833688 1066337932 /nfs/dbraw/zinc/33/79/32/1066337932.db2.gz GBTJCNPCTIKDIC-CPJSRVTESA-N 1 0 474.625 2.764 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001293847432 1066349730 /nfs/dbraw/zinc/34/97/30/1066349730.db2.gz KLEYTWSNVTZFOS-ORFBVSJDSA-N 1 0 487.693 2.767 20 0 JFADRO 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CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001293920383 1066400536 /nfs/dbraw/zinc/40/05/36/1066400536.db2.gz AOUQJAGAIZVDPW-BZSNNMDCSA-N 1 0 484.692 2.600 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001293920976 1066401626 /nfs/dbraw/zinc/40/16/26/1066401626.db2.gz BRXBVMJWSKUJII-RXVVDRJESA-N 1 0 459.660 2.904 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001293939437 1066424058 /nfs/dbraw/zinc/42/40/58/1066424058.db2.gz VZGXEGJJOJTECE-NHCUHLMSSA-N 1 0 485.677 2.916 20 0 JFADRO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)OC ZINC001293959289 1066457902 /nfs/dbraw/zinc/45/79/02/1066457902.db2.gz OQXQIRPKDDUNOX-CEWLAPEOSA-N 1 0 490.674 2.683 20 0 JFADRO CCC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)OC ZINC001293981437 1066484523 /nfs/dbraw/zinc/48/45/23/1066484523.db2.gz HGHPMRYIZGOJBZ-DHIUTWEWSA-N 1 0 455.651 2.684 20 0 JFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC001293982770 1066487811 /nfs/dbraw/zinc/48/78/11/1066487811.db2.gz WCNALDZKLFTSEW-WWFXOLRUSA-N 1 0 456.546 2.606 20 0 JFADRO CCC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC001293983189 1066488378 /nfs/dbraw/zinc/48/83/78/1066488378.db2.gz HPHUJBAXQURMMP-IFMALSPDSA-N 1 0 454.619 2.926 20 0 JFADRO CCCC(O)(CCC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001293996741 1066498813 /nfs/dbraw/zinc/49/88/13/1066498813.db2.gz LPUGBWJWFHRYEV-GOSISDBHSA-N 1 0 472.700 2.530 20 0 JFADRO CCCc1nc(C)c(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)o1 ZINC001294042420 1066518741 /nfs/dbraw/zinc/51/87/41/1066518741.db2.gz BBNCLDUCYVERNW-UHFFFAOYSA-N 1 0 494.644 2.936 20 0 JFADRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001294050817 1066523104 /nfs/dbraw/zinc/52/31/04/1066523104.db2.gz PVORQHSRTPXPAN-OAHLLOKOSA-N 1 0 451.511 2.586 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001294054438 1066526283 /nfs/dbraw/zinc/52/62/83/1066526283.db2.gz GVUNJLNBMMDNHI-AVRDEDQJSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC[N@@H+]1CCOC ZINC001294054766 1066527126 /nfs/dbraw/zinc/52/71/26/1066527126.db2.gz NJKRCANXOCNDKP-RTWAWAEBSA-N 1 0 484.645 2.920 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2)CC[N@@H+]1CCOC ZINC001294055324 1066528753 /nfs/dbraw/zinc/52/87/53/1066528753.db2.gz USWLRDWDRPQFJX-NRFANRHFSA-N 1 0 470.618 2.508 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2)CC[N@@H+]1CCOC ZINC001294055264 1066528786 /nfs/dbraw/zinc/52/87/86/1066528786.db2.gz SQKUOQNTWRQPIJ-RBUKOAKNSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2([NH+]3CCSCC3)CCCC2)CCO1 ZINC001294056128 1066529649 /nfs/dbraw/zinc/52/96/49/1066529649.db2.gz YPORMYSKTAOAND-IBGZPJMESA-N 1 0 464.680 2.783 20 0 JFADRO COc1ccc([C@@H](CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)NC(C)=O)cc1 ZINC001294064583 1066534893 /nfs/dbraw/zinc/53/48/93/1066534893.db2.gz MUHPYUQHUOINTG-XMMPIXPASA-N 1 0 454.571 2.527 20 0 JFADRO COCc1nnc(-c2cccc(C(=O)Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)c2)o1 ZINC001294064342 1066535023 /nfs/dbraw/zinc/53/50/23/1066535023.db2.gz KNCULUVHJXBRIZ-UHFFFAOYSA-N 1 0 451.527 2.762 20 0 JFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc4[nH]c(C(C)(C)CO)nc4c3)cc2)CC1 ZINC001294064770 1066535045 /nfs/dbraw/zinc/53/50/45/1066535045.db2.gz PPFRCMZZAHYTBK-UHFFFAOYSA-N 1 0 451.571 2.711 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294066831 1066536913 /nfs/dbraw/zinc/53/69/13/1066536913.db2.gz FFRMPNHIQLALKG-OFVILXPXSA-N 1 0 473.618 2.696 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCC2(O)CCOCC2)CC[N@@H+]1CCOC ZINC001294067017 1066537288 /nfs/dbraw/zinc/53/72/88/1066537288.db2.gz LSKWLFQGKMGXJZ-JOCHJYFZSA-N 1 0 457.619 2.814 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccco2)CC[N@@H+]1CCOC ZINC001294072594 1066541577 /nfs/dbraw/zinc/54/15/77/1066541577.db2.gz HCUUYLNZYMLARA-NTKDMRAZSA-N 1 0 454.575 2.778 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001294076803 1066545894 /nfs/dbraw/zinc/54/58/94/1066545894.db2.gz LISXMOOJQALOPQ-MOPGFXCFSA-N 1 0 450.534 2.701 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001294077859 1066546796 /nfs/dbraw/zinc/54/67/96/1066546796.db2.gz STZJCDTUURTQON-KCZVDYSFSA-N 1 0 459.639 2.821 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294081926 1066549927 /nfs/dbraw/zinc/54/99/27/1066549927.db2.gz IUOBVRLKJDUFSB-KZNAEPCWSA-N 1 0 454.566 2.602 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001294082370 1066551144 /nfs/dbraw/zinc/55/11/44/1066551144.db2.gz QVSKTYLEGRRZHF-BKSPAHHJSA-N 1 0 475.634 2.837 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC[N@@H+]1CCOC ZINC001294082632 1066552244 /nfs/dbraw/zinc/55/22/44/1066552244.db2.gz MKETYTMIHKCBHL-GUDVDZBRSA-N 1 0 468.593 2.992 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001294085088 1066555141 /nfs/dbraw/zinc/55/51/41/1066555141.db2.gz DFTKWNOQWUNBKT-QHAWAJNXSA-N 1 0 492.665 2.932 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001294085578 1066555982 /nfs/dbraw/zinc/55/59/82/1066555982.db2.gz UWHRUTPNJAUENE-FCHUYYIVSA-N 1 0 454.619 2.717 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2C[C@@H](C)[NH+](CC)CC)CCO1 ZINC001294086038 1066556411 /nfs/dbraw/zinc/55/64/11/1066556411.db2.gz VXJPJIFSJMBIJG-MOPGFXCFSA-N 1 0 477.679 2.974 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC[N@@H+]1CCOC ZINC001294087840 1066559991 /nfs/dbraw/zinc/55/99/91/1066559991.db2.gz XYNBOVXTOJMORS-NLFFAJNJSA-N 1 0 460.667 2.815 20 0 JFADRO Cc1nn(COCC[Si](C)(C)C)c(C)c1CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001294091884 1066562618 /nfs/dbraw/zinc/56/26/18/1066562618.db2.gz YZDWAOPDIHCPTA-OAQYLSRUSA-N 1 0 450.700 2.926 20 0 JFADRO F[C@]1(N2CCN3CC[NH2+]C[C@H]3C2)CN(Cc2ccccc2)Cc2c(Cl)nc(Cl)nc21 ZINC001164398678 718835841 /nfs/dbraw/zinc/83/58/41/718835841.db2.gz JJIGKPGUGOTOBM-KKSFZXQISA-N 1 0 451.377 2.511 20 0 JFADRO CC(C)(C)C(=O)Oc1cc2ncnc(N3CCN4CC[NH2+]C[C@H]4C3)c2cc1OC(=O)C(C)(C)C ZINC001164406681 718838628 /nfs/dbraw/zinc/83/86/28/718838628.db2.gz UFDGRHWMZZPDNB-INIZCTEOSA-N 1 0 469.586 2.627 20 0 JFADRO CCOC(=O)c1sc2nc(Cc3ccccc3OC)nc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1C ZINC001164405995 718839867 /nfs/dbraw/zinc/83/98/67/718839867.db2.gz RLRJNHLWKPWNMJ-GOSISDBHSA-N 1 0 481.622 2.870 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@H]2C[NH2+]CC[C@H]2C1 ZINC001164406139 718861305 /nfs/dbraw/zinc/86/13/05/718861305.db2.gz SZRWHNRETHMUGG-RDJZCZTQSA-N 1 0 452.889 2.847 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c2c1C ZINC001164409896 718864375 /nfs/dbraw/zinc/86/43/75/718864375.db2.gz VGQYHPDZUCNRIP-MSOLQXFVSA-N 1 0 473.643 2.977 20 0 JFADRO CC1CCN(Cc2nc3sc4c(c3c(N3CCCO[C@@]5(C[NH2+]CCOC5)C3)n2)CCC4)CC1 ZINC001164426175 718916408 /nfs/dbraw/zinc/91/64/08/718916408.db2.gz XTKHUNPUMFIKIT-VWLOTQADSA-N 1 0 471.671 2.997 20 0 JFADRO C(c1nc2sc3c(c2c(N2CCCO[C@]4(C[NH2+]CCOC4)C2)n1)CCC3)N1CCCCC1 ZINC001164422837 718916472 /nfs/dbraw/zinc/91/64/72/718916472.db2.gz BPGUYJAXQVABEP-XMMPIXPASA-N 1 0 457.644 2.751 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164434645 718969278 /nfs/dbraw/zinc/96/92/78/718969278.db2.gz UOPYNLUWRLSZPH-HOTGVXAUSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164433044 718970801 /nfs/dbraw/zinc/97/08/01/718970801.db2.gz JAQUYDKPKWOZTD-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164618729 719009812 /nfs/dbraw/zinc/00/98/12/719009812.db2.gz SROGBKLHMRSQEA-YWZLYKJASA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc3[nH]cnc3c(Cl)n1)C2 ZINC001164615609 719010675 /nfs/dbraw/zinc/01/06/75/719010675.db2.gz JEYBDDVZULAZTG-BUXKBTBVSA-N 1 0 454.909 2.652 20 0 JFADRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613955 719017471 /nfs/dbraw/zinc/01/74/71/719017471.db2.gz ARGVEQGFNCULOT-BPQIPLTHSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc4ccn(S(=O)(=O)c5ccccc5)c4n3)CC2)CC1 ZINC001164616357 719030919 /nfs/dbraw/zinc/03/09/19/719030919.db2.gz BTJWNWWPXKMNRT-UHFFFAOYSA-N 1 0 497.621 2.912 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629579 719089367 /nfs/dbraw/zinc/08/93/67/719089367.db2.gz SRYDUWCHXBYGCW-IFMALSPDSA-N 1 0 451.571 2.591 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629581 719090188 /nfs/dbraw/zinc/09/01/88/719090188.db2.gz SRYDUWCHXBYGCW-IRLDBZIGSA-N 1 0 451.571 2.591 20 0 JFADRO CN(C)C(=O)CO[C@H]1CCC2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)c2ccccc21 ZINC001164631000 719139419 /nfs/dbraw/zinc/13/94/19/719139419.db2.gz MCHCXWGHZSBOGG-QHCPKHFHSA-N 1 0 478.641 2.706 20 0 JFADRO CN(C)C(=O)CN1CC[C@]2(CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001164631031 719143829 /nfs/dbraw/zinc/14/38/29/719143829.db2.gz MMERTWJVRRUCKR-YIXXDRMTSA-N 1 0 461.610 2.588 20 0 JFADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@@H+]4CC[C@@H](CO)C4)C[C@H]3O2)n1 ZINC001164648142 719300144 /nfs/dbraw/zinc/30/01/44/719300144.db2.gz FTNYLNMEDAGGLY-JZZBYWGLSA-N 1 0 498.628 2.928 20 0 JFADRO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164664554 719357485 /nfs/dbraw/zinc/35/74/85/719357485.db2.gz OFFOUSNVUVDAJB-VWLOTQADSA-N 1 0 451.619 2.657 20 0 JFADRO CC(C)N(C)Cc1nn(-c2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)c2c1CC[NH2+]C2 ZINC001164685102 719622989 /nfs/dbraw/zinc/62/29/89/719622989.db2.gz ZWUMUVOLMRXDJX-UHFFFAOYSA-N 1 0 464.618 2.920 20 0 JFADRO COC(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681938 719657262 /nfs/dbraw/zinc/65/72/62/719657262.db2.gz SKKKENBUVBODBB-HXUWFJFHSA-N 1 0 450.583 2.962 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3S(C)(=O)=O)CC2)c2ccccc21 ZINC001164680049 719664012 /nfs/dbraw/zinc/66/40/12/719664012.db2.gz CYAGDBCHOCUWCP-LJQANCHMSA-N 1 0 470.639 2.579 20 0 JFADRO CCOC(=O)c1cnc(OC)nc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681212 719666565 /nfs/dbraw/zinc/66/65/65/719666565.db2.gz KRRIMIWQOFSMDE-LJQANCHMSA-N 1 0 495.624 2.755 20 0 JFADRO C[C@@H]1C(=O)Nc2ncnc(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164680790 719671045 /nfs/dbraw/zinc/67/10/45/719671045.db2.gz HPTMZNYMTXGEAI-ROUUACIJSA-N 1 0 462.598 2.626 20 0 JFADRO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164681578 719672108 /nfs/dbraw/zinc/67/21/08/719672108.db2.gz NCRWLRHKAQJUPR-GOSISDBHSA-N 1 0 490.608 2.838 20 0 JFADRO COC(OC)c1c(CO)ccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681469 719674465 /nfs/dbraw/zinc/67/44/65/719674465.db2.gz LCGFHDVCIOVJSN-OAQYLSRUSA-N 1 0 496.652 2.959 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccnc(-n4ccccc4=O)n3)CC2)c2ccccc21 ZINC001164682700 719678761 /nfs/dbraw/zinc/67/87/61/719678761.db2.gz PMURWIIKTSUJRK-NRFANRHFSA-N 1 0 486.620 2.721 20 0 JFADRO CON(C)C(=O)c1ccnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164686988 719679370 /nfs/dbraw/zinc/67/93/70/719679370.db2.gz ZIGMCFRNUNSQNO-OAQYLSRUSA-N 1 0 479.625 2.808 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4c3NC(=O)CS4)CC2)c2ccccc21 ZINC001164688265 719682616 /nfs/dbraw/zinc/68/26/16/719682616.db2.gz ZRXCAGZTCPKFBK-KRWDZBQOSA-N 1 0 480.638 2.614 20 0 JFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C(=O)NC4CCOCC4)nn2)CC3)cs1 ZINC001164691728 719815386 /nfs/dbraw/zinc/81/53/86/719815386.db2.gz JZJVKCJIFNQJGV-UHFFFAOYSA-N 1 0 456.616 2.785 20 0 JFADRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164702780 719885500 /nfs/dbraw/zinc/88/55/00/719885500.db2.gz QCRLMCVNBFZTCP-ATZDWAIDSA-N 1 0 490.942 2.784 20 0 JFADRO O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21)N1CCCCO1 ZINC001164704229 719927390 /nfs/dbraw/zinc/92/73/90/719927390.db2.gz QEZFUBGTSBGLMC-PWIZWCRZSA-N 1 0 482.959 2.909 20 0 JFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@H]2CCCO[C@@H]21)c1cnccn1 ZINC001164710334 720052043 /nfs/dbraw/zinc/05/20/43/720052043.db2.gz DZDPPKRBKWKTAC-JBBQQGGESA-N 1 0 484.604 2.844 20 0 JFADRO O=C(N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)C[C@@H]2CCCO[C@@H]12)c1cnccn1 ZINC001164710332 720052380 /nfs/dbraw/zinc/05/23/80/720052380.db2.gz DZDPPKRBKWKTAC-GEWUYGHSSA-N 1 0 484.604 2.844 20 0 JFADRO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)[C@@H]2CCCO[C@H]12 ZINC001164710728 720062214 /nfs/dbraw/zinc/06/22/14/720062214.db2.gz GFZKCIBPDWVBQH-UPZYVNNASA-N 1 0 460.619 2.653 20 0 JFADRO COc1cccc(NC(=O)c2nc3c(s2)CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)c1 ZINC001164709031 720087895 /nfs/dbraw/zinc/08/78/95/720087895.db2.gz ANLZDVSKZUHRHD-UHFFFAOYSA-N 1 0 479.610 2.551 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nccc(CO)c1C(OC)OC)CC2 ZINC001164714104 720132757 /nfs/dbraw/zinc/13/27/57/720132757.db2.gz WEWWNRNRRSORNU-OAQYLSRUSA-N 1 0 456.587 2.768 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(Oc3ccc(S(C)(=O)=O)cc3)n1)C2 ZINC001164820141 720152645 /nfs/dbraw/zinc/15/26/45/720152645.db2.gz ZPLXCTRNSDCGNX-YADARESESA-N 1 0 472.611 2.857 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)C2 ZINC001164815942 720158758 /nfs/dbraw/zinc/15/87/58/720158758.db2.gz IZKLKEWVGZPRNX-OFVILXPXSA-N 1 0 481.622 2.853 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3[nH]cc(Cl)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164711369 720165884 /nfs/dbraw/zinc/16/58/84/720165884.db2.gz BFFJFOVTAATZTF-AWEZNQCLSA-N 1 0 451.362 2.609 20 0 JFADRO COc1cc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(Cl)n1 ZINC001164713840 720170194 /nfs/dbraw/zinc/17/01/94/720170194.db2.gz LZLQOSNLPRSRDX-INIZCTEOSA-N 1 0 456.925 2.633 20 0 JFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817813 720173697 /nfs/dbraw/zinc/17/36/97/720173697.db2.gz QIMKNWHIBUPJPY-CVDCTZTESA-N 1 0 450.649 2.733 20 0 JFADRO CCC(CC)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164815569 720174174 /nfs/dbraw/zinc/17/41/74/720174174.db2.gz IIHMWHLWWNVFMC-AUSIDOKSSA-N 1 0 450.649 2.733 20 0 JFADRO CCOC(=O)c1c(C)cc(Cl)nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719633 720176131 /nfs/dbraw/zinc/17/61/31/720176131.db2.gz XHOCBKJHTQCXSH-QGZVFWFLSA-N 1 0 462.982 2.565 20 0 JFADRO COc1cc2nc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164718745 720176368 /nfs/dbraw/zinc/17/63/68/720176368.db2.gz QBEDODMCENNDPI-SFHVURJKSA-N 1 0 487.992 2.645 20 0 JFADRO Cn1nnc2c1CCN(c1nc3cc(F)c(F)cc3nc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164717045 720177109 /nfs/dbraw/zinc/17/71/09/720177109.db2.gz JQCZBGGAQBGLFZ-SFHVURJKSA-N 1 0 463.920 2.906 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)COc1ccnc(Cl)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716999 720180996 /nfs/dbraw/zinc/18/09/96/720180996.db2.gz IRDSGSKTZXMPFM-QGZVFWFLSA-N 1 0 456.925 2.547 20 0 JFADRO Cn1nnc2c1CCN(c1cc(C(=O)Nc3ccccc3)ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719184 720183438 /nfs/dbraw/zinc/18/34/38/720183438.db2.gz UAPIWAAQKNCIOM-JOCHJYFZSA-N 1 0 461.570 2.679 20 0 JFADRO COc1cc2nc(Cl)c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2cc1OC ZINC001164719197 720183461 /nfs/dbraw/zinc/18/34/61/720183461.db2.gz UFMHYTIHNJSPEP-SFHVURJKSA-N 1 0 487.992 2.645 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1CN1CCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718787 720186038 /nfs/dbraw/zinc/18/60/38/720186038.db2.gz REXAUSIEJLSXLG-HXUWFJFHSA-N 1 0 460.026 2.676 20 0 JFADRO COc1cc2ccc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2cc1OC ZINC001164718829 720188122 /nfs/dbraw/zinc/18/81/22/720188122.db2.gz SCQYGEIVIBJMID-HXUWFJFHSA-N 1 0 452.559 2.597 20 0 JFADRO Cn1nnc2c1CCN(c1cc(-c3nc(C(C)(C)C)no3)ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713822 720193758 /nfs/dbraw/zinc/19/37/58/720193758.db2.gz DZHLZEHYFCADER-IBGZPJMESA-N 1 0 466.590 2.774 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)nccc31)[C@H]2COCC[NH+]1CCCC1 ZINC001164715574 720195379 /nfs/dbraw/zinc/19/53/79/720195379.db2.gz LCJIYLAUVXXQBC-HNNXBMFYSA-N 1 0 463.373 2.676 20 0 JFADRO COc1ccc(OC)c(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)c1 ZINC001164716001 720200541 /nfs/dbraw/zinc/20/05/41/720200541.db2.gz NXNLMKWSIQPWTJ-QFIPXVFZSA-N 1 0 479.585 2.506 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164813273 720205258 /nfs/dbraw/zinc/20/52/58/720205258.db2.gz NXEZKSXZYXSWGA-VQIMIIECSA-N 1 0 463.978 2.868 20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164813531 720221092 /nfs/dbraw/zinc/22/10/92/720221092.db2.gz NPCVNCXEALGCOP-UHFFFAOYSA-N 1 0 469.920 2.874 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc3ccc(Cl)nc3[nH]1)CCC2 ZINC001164812964 720240036 /nfs/dbraw/zinc/24/00/36/720240036.db2.gz LCZAECATLYOWEJ-UHFFFAOYSA-N 1 0 451.909 2.963 20 0 JFADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164827371 720296965 /nfs/dbraw/zinc/29/69/65/720296965.db2.gz XIBXMJGAWDSALQ-VQTJNVASSA-N 1 0 471.989 2.981 20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164819664 720315863 /nfs/dbraw/zinc/31/58/63/720315863.db2.gz FQTUHSVTMKCFFH-DLBZAZTESA-N 1 0 470.948 2.978 20 0 JFADRO COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(Cl)n1 ZINC001164827426 720315880 /nfs/dbraw/zinc/31/58/80/720315880.db2.gz XSPYUUVXXDEJIJ-MSOLQXFVSA-N 1 0 470.948 2.978 20 0 JFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164832399 720323871 /nfs/dbraw/zinc/32/38/71/720323871.db2.gz SVYADPLMGBFWDA-CABCVRRESA-N 1 0 470.401 2.872 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)nc(N3CCOCC3)nc2Cl)CC1 ZINC001164826194 720323998 /nfs/dbraw/zinc/32/39/98/720323998.db2.gz FPULYQALFMXMDY-SJORKVTESA-N 1 0 483.444 2.532 20 0 JFADRO CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)O1 ZINC001164723706 720325333 /nfs/dbraw/zinc/32/53/33/720325333.db2.gz IQXNSBODYPJJGZ-SXLOBPIMSA-N 1 0 484.975 2.888 20 0 JFADRO C[C@@H]1CCCN(C(=O)c2ccc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2)C1 ZINC001164825280 720337620 /nfs/dbraw/zinc/33/76/20/720337620.db2.gz JGWQKSISRHXTPT-OIBXWCBGSA-N 1 0 453.631 2.865 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1 ZINC001164829958 720339566 /nfs/dbraw/zinc/33/95/66/720339566.db2.gz UPSFBMLWRZRGBC-RPBOFIJWSA-N 1 0 489.668 2.715 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1 ZINC001164829955 720339585 /nfs/dbraw/zinc/33/95/85/720339585.db2.gz UPSFBMLWRZRGBC-LOSJGSFVSA-N 1 0 489.668 2.715 20 0 JFADRO COCCOc1cc2ncnc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c2cc1OCCOC ZINC001164727765 720348751 /nfs/dbraw/zinc/34/87/51/720348751.db2.gz UNDHFQUMOAEWID-GOTSBHOMSA-N 1 0 479.581 2.928 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2c(Cl)nnc(Cl)c2N2CCOCC2)CC1 ZINC001164830276 720356078 /nfs/dbraw/zinc/35/60/78/720356078.db2.gz VPTFHLHIVRWDJU-SJORKVTESA-N 1 0 483.444 2.532 20 0 JFADRO Cc1nc(CN2CCN(C)C3(CCN(c4cccc(OCC[NH+]5CCCC5)n4)CC3)C2=O)cs1 ZINC001164820052 720376833 /nfs/dbraw/zinc/37/68/33/720376833.db2.gz KUKJUOBNBWCXDA-UHFFFAOYSA-N 1 0 484.670 2.634 20 0 JFADRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)C1 ZINC001164732575 720528995 /nfs/dbraw/zinc/52/89/95/720528995.db2.gz 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C[C@H]([NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381055290 1059491405 /nfs/dbraw/zinc/49/14/05/1059491405.db2.gz SRHSSCSVDGJHEW-ZWKOTPCHSA-N 1 0 454.612 2.691 20 0 JFADRO C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)cc2)CC1 ZINC001264017526 1059505817 /nfs/dbraw/zinc/50/58/17/1059505817.db2.gz NFSXHTBUQLAYTR-JOCHJYFZSA-N 1 0 453.562 2.568 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C[C@@H]3c3cnn(C)c3)cc2)CC1 ZINC001264109361 1059520246 /nfs/dbraw/zinc/52/02/46/1059520246.db2.gz OPSPPYTWCWSNGR-FGZHOGPDSA-N 1 0 459.616 2.515 20 0 JFADRO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC001264330887 1059573704 /nfs/dbraw/zinc/57/37/04/1059573704.db2.gz XRWBJJIUWXUTTP-IZZDOVSWSA-N 1 0 453.539 2.902 20 0 JFADRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(-n2cc(Br)cn2)nn1 ZINC001264519515 1059602409 /nfs/dbraw/zinc/60/24/09/1059602409.db2.gz WKTPVFZEGZATCZ-UHFFFAOYSA-N 1 0 451.394 2.516 20 0 JFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(S(=O)(=O)CC4CC4)cc3)cc2)C1 ZINC001264894777 1059720527 /nfs/dbraw/zinc/72/05/27/1059720527.db2.gz XIXKSMDYXRYROH-FQEVSTJZSA-N 1 0 455.580 2.820 20 0 JFADRO CNC(=O)COc1cccc(CC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001264987358 1059745997 /nfs/dbraw/zinc/74/59/97/1059745997.db2.gz SYQVDAVNZUCBQX-UHFFFAOYSA-N 1 0 451.489 2.963 20 0 JFADRO COc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc(Cl)c1OCC(N)=O ZINC001265126965 1059774192 /nfs/dbraw/zinc/77/41/92/1059774192.db2.gz POVYYYHEVMNDHU-UHFFFAOYSA-N 1 0 456.008 2.694 20 0 JFADRO CO[C@H]1CCC[C@@H]1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001265133829 1059776853 /nfs/dbraw/zinc/77/68/53/1059776853.db2.gz YKKOQYNHLDPXSP-ICSRJNTNSA-N 1 0 456.400 2.979 20 0 JFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC001265212241 1059795924 /nfs/dbraw/zinc/79/59/24/1059795924.db2.gz TYRKYFZQYMYKGB-HXUWFJFHSA-N 1 0 455.624 2.872 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001265248219 1059806855 /nfs/dbraw/zinc/80/68/55/1059806855.db2.gz VZENJNBIXVXUME-NRFANRHFSA-N 1 0 450.518 2.884 20 0 JFADRO CN1c2ccc(C(=O)N3CCN(c4ccccc4OCC[NH+](C)C)CC3)cc2C(C)(C)C1=O ZINC001265298399 1059818998 /nfs/dbraw/zinc/81/89/98/1059818998.db2.gz QNWIBLBXIGRSTI-UHFFFAOYSA-N 1 0 450.583 2.843 20 0 JFADRO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1S(=O)(=O)N(C)C ZINC001265412351 1059849757 /nfs/dbraw/zinc/84/97/57/1059849757.db2.gz DMMKRFYTDYLTFA-OXQOHEQNSA-N 1 0 451.614 2.820 20 0 JFADRO C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cc1 ZINC001265639674 1059902921 /nfs/dbraw/zinc/90/29/21/1059902921.db2.gz CLNOYHLPNRVIGL-FMIVXFBMSA-N 1 0 453.539 2.517 20 0 JFADRO CN1CCN(C(=O)Cc2cccc(NC(=O)CCc3ccc(OCC[NH+](C)C)cc3)c2)CC1 ZINC001265793658 1059927012 /nfs/dbraw/zinc/92/70/12/1059927012.db2.gz VURWJNCAPVSZDF-UHFFFAOYSA-N 1 0 452.599 2.515 20 0 JFADRO CC(C)NS(=O)(=O)c1cc(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)ccc1F ZINC001265847232 1059935437 /nfs/dbraw/zinc/93/54/37/1059935437.db2.gz JIKKOHVFVHTFRW-UHFFFAOYSA-N 1 0 455.596 2.525 20 0 JFADRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC001265849934 1059935877 /nfs/dbraw/zinc/93/58/77/1059935877.db2.gz LLFQBTZHGIDRON-YVHKJVDXSA-N 1 0 451.546 2.519 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](C[NH+](C)C)Oc4ccccc43)CC2)cc1 ZINC001266160742 1059968235 /nfs/dbraw/zinc/96/82/35/1059968235.db2.gz VJQAAKFORQTATE-FQEVSTJZSA-N 1 0 457.596 2.752 20 0 JFADRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC001279602258 1059986540 /nfs/dbraw/zinc/98/65/40/1059986540.db2.gz YBVXTVGEFZUCGG-JOCHJYFZSA-N 1 0 457.615 2.796 20 0 JFADRO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC001280192487 1060001209 /nfs/dbraw/zinc/00/12/09/1060001209.db2.gz BABVGJBPKDDZFA-IRXDYDNUSA-N 1 0 454.017 2.945 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286838819 1061095537 /nfs/dbraw/zinc/09/55/37/1061095537.db2.gz OQDKFEGFPGACHN-NHCUHLMSSA-N 1 0 487.693 2.719 20 0 JFADRO C/C(=C\c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@H]1C ZINC001286839669 1061097854 /nfs/dbraw/zinc/09/78/54/1061097854.db2.gz VKOULBMXMIKSDB-MCXUZDIPSA-N 1 0 460.648 2.912 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286842072 1061111784 /nfs/dbraw/zinc/11/17/84/1061111784.db2.gz VDXWWDJUOAYTGD-RDGATRHJSA-N 1 0 478.682 2.742 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286842887 1061119280 /nfs/dbraw/zinc/11/92/80/1061119280.db2.gz ZLJILYJCWMRHAU-FQEVSTJZSA-N 1 0 486.636 2.956 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286843558 1061122991 /nfs/dbraw/zinc/12/29/91/1061122991.db2.gz XNIPEVGQYBVKIO-UHFFFAOYSA-N 1 0 453.635 2.833 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286844175 1061129634 /nfs/dbraw/zinc/12/96/34/1061129634.db2.gz MEULKPALWLPDFB-KRWDZBQOSA-N 1 0 458.582 2.926 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001286846359 1061149711 /nfs/dbraw/zinc/14/97/11/1061149711.db2.gz ZCNAQSNQDPYLQY-WHSBFGAESA-N 1 0 490.693 2.888 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC001286846355 1061149740 /nfs/dbraw/zinc/14/97/40/1061149740.db2.gz ZCNAQSNQDPYLQY-POGFHVCPSA-N 1 0 490.693 2.888 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001286847522 1061157943 /nfs/dbraw/zinc/15/79/43/1061157943.db2.gz BWBNCWARFZDLKH-GOTSBHOMSA-N 1 0 454.619 2.934 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001286852185 1061187286 /nfs/dbraw/zinc/18/72/86/1061187286.db2.gz PSCOMWPAURVPBN-MQSCRBSSSA-N 1 0 467.662 2.937 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001286852416 1061190220 /nfs/dbraw/zinc/19/02/20/1061190220.db2.gz WPANBCUVNOQJJJ-HUVFLSCGSA-N 1 0 468.646 2.997 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001286854326 1061202880 /nfs/dbraw/zinc/20/28/80/1061202880.db2.gz JARODZJOJXFPPT-PCCBWWKXSA-N 1 0 491.681 2.694 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H]2C)C1 ZINC001286854631 1061204580 /nfs/dbraw/zinc/20/45/80/1061204580.db2.gz OILMENPNWVXTSX-IFMALSPDSA-N 1 0 454.619 2.954 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286854650 1061204705 /nfs/dbraw/zinc/20/47/05/1061204705.db2.gz OLWSOSBCIMDYSZ-BDKRGJGYSA-N 1 0 460.667 2.842 20 0 JFADRO Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@H](C)[NH+](C)C)cc1Br ZINC001289578199 1061224316 /nfs/dbraw/zinc/22/43/16/1061224316.db2.gz URNBGAKYLGYIIO-BTYIYWSLSA-N 1 0 461.408 2.683 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC001289582908 1061227547 /nfs/dbraw/zinc/22/75/47/1061227547.db2.gz DMLOTHGSZNCWIP-NRFANRHFSA-N 1 0 485.677 2.861 20 0 JFADRO Cc1ccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)o1 ZINC001289592782 1061234396 /nfs/dbraw/zinc/23/43/96/1061234396.db2.gz QQMZILGWAMXNHS-OAQYLSRUSA-N 1 0 488.633 2.998 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCNS(=O)(=O)c2ccccc2)o1 ZINC001289592571 1061234463 /nfs/dbraw/zinc/23/44/63/1061234463.db2.gz OTWSWUPKYDKFMK-UHFFFAOYSA-N 1 0 472.615 2.746 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001289593950 1061236114 /nfs/dbraw/zinc/23/61/14/1061236114.db2.gz JNQFCWBTSQUWJH-PMACEKPBSA-N 1 0 458.607 2.650 20 0 JFADRO CC(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001286864424 1061242940 /nfs/dbraw/zinc/24/29/40/1061242940.db2.gz DJZCHTHMAQZQMY-NRFANRHFSA-N 1 0 471.009 2.694 20 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Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2CC[NH+](CCN(C)C)CC2)o1 ZINC001289606146 1061251354 /nfs/dbraw/zinc/25/13/54/1061251354.db2.gz WITOJUUHUILMEP-IBGZPJMESA-N 1 0 470.540 2.888 20 0 JFADRO CC(=O)N1CCCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001286867393 1061252515 /nfs/dbraw/zinc/25/25/15/1061252515.db2.gz AAUALVJTLXAWBI-GOSISDBHSA-N 1 0 460.573 2.938 20 0 JFADRO Cc1ccc(-c2nnc(N3CCO[C@@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)o1 ZINC001289607272 1061252708 /nfs/dbraw/zinc/25/27/08/1061252708.db2.gz ISQULUOOYSHPJN-RBUKOAKNSA-N 1 0 474.606 2.917 20 0 JFADRO Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+](C)C2CC2)o1 ZINC001289616360 1061256255 /nfs/dbraw/zinc/25/62/55/1061256255.db2.gz ZJZDAXMMJMEHBV-KYJSFNMBSA-N 1 0 450.609 2.614 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286870284 1061264676 /nfs/dbraw/zinc/26/46/76/1061264676.db2.gz INKOBRQZTYOKER-XUZZJYLKSA-N 1 0 485.677 2.725 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001286870483 1061265557 /nfs/dbraw/zinc/26/55/57/1061265557.db2.gz IPPCZPOCXWOCPS-URXFXBBRSA-N 1 0 495.672 2.547 20 0 JFADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC001289634323 1061267215 /nfs/dbraw/zinc/26/72/15/1061267215.db2.gz CWPSQBFHKQICQK-WBVHZDCISA-N 1 0 454.666 2.627 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286870895 1061268656 /nfs/dbraw/zinc/26/86/56/1061268656.db2.gz LMQYRHWLEZJRGA-YMPZKCBVSA-N 1 0 476.666 2.571 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870894 1061268734 /nfs/dbraw/zinc/26/87/34/1061268734.db2.gz LMQYRHWLEZJRGA-MDNUFGMLSA-N 1 0 476.666 2.571 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3OCCC3(C)C)C[C@@H]2C)CC1 ZINC001286870837 1061268891 /nfs/dbraw/zinc/26/88/91/1061268891.db2.gz KUISYPHOQBLCNF-KSEOMHKRSA-N 1 0 460.667 2.671 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@H]2C)CC1 ZINC001286871723 1061274575 /nfs/dbraw/zinc/27/45/75/1061274575.db2.gz PHVKVIHIPRBNJP-OFNKIYASSA-N 1 0 487.693 2.766 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001286871758 1061274631 /nfs/dbraw/zinc/27/46/31/1061274631.db2.gz PSZVLBKBSXQQKY-AUSIDOKSSA-N 1 0 470.666 2.684 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC3(O)CCCCC3)C[C@@H]2C)CC1 ZINC001286872592 1061279634 /nfs/dbraw/zinc/27/96/34/1061279634.db2.gz WTFSDIGSZUMUGO-RBBKRZOGSA-N 1 0 460.667 2.551 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@H]2C)CC1 ZINC001286872724 1061279966 /nfs/dbraw/zinc/27/99/66/1061279966.db2.gz XFYUPFWGTLESQA-UTKZUKDTSA-N 1 0 459.664 2.753 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286872736 1061280318 /nfs/dbraw/zinc/28/03/18/1061280318.db2.gz XGNWZGQTNOORQU-NZQKXSOJSA-N 1 0 460.667 2.987 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)C[C@H]2C)CC1 ZINC001286872766 1061281395 /nfs/dbraw/zinc/28/13/95/1061281395.db2.gz XQVYOALHGMXOHD-QNIAMRLHSA-N 1 0 488.702 2.825 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[NH+](C(C)C)C(C)C)[C@H](C)C1 ZINC001286872882 1061282604 /nfs/dbraw/zinc/28/26/04/1061282604.db2.gz VHRAFIUIIHOIKN-PXDATVDWSA-N 1 0 478.682 2.885 20 0 JFADRO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1 ZINC001289662886 1061283920 /nfs/dbraw/zinc/28/39/20/1061283920.db2.gz QCXCULZWEAVITG-CTNGQTDRSA-N 1 0 460.648 2.618 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286873019 1061284447 /nfs/dbraw/zinc/28/44/47/1061284447.db2.gz WAWCRDDMUNKJIM-ZCNNSNEGSA-N 1 0 488.608 2.725 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001286873282 1061285289 /nfs/dbraw/zinc/28/52/89/1061285289.db2.gz DXDDMPFAGOWUPV-MRXNPFEDSA-N 1 0 478.439 2.589 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC001286878568 1061298615 /nfs/dbraw/zinc/29/86/15/1061298615.db2.gz YSOSVOZPSZOILC-GUDVDZBRSA-N 1 0 454.623 2.549 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC001286880725 1061304821 /nfs/dbraw/zinc/30/48/21/1061304821.db2.gz TXCAIZCLHXSXOV-PTUXOGIPSA-N 1 0 454.619 2.840 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286883049 1061312328 /nfs/dbraw/zinc/31/23/28/1061312328.db2.gz NDDDVKSGAGTHOA-GOSISDBHSA-N 1 0 460.573 2.936 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCOCC[NH+](C)C)CC12CCCCC2 ZINC001286884349 1061318455 /nfs/dbraw/zinc/31/84/55/1061318455.db2.gz YQWYGCFRIJQQBC-UHFFFAOYSA-N 1 0 474.675 2.880 20 0 JFADRO Cc1ccc(N2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2=O)cc1 ZINC001289719400 1061325905 /nfs/dbraw/zinc/32/59/05/1061325905.db2.gz HKAASQVQSUQCIZ-FQEVSTJZSA-N 1 0 454.619 2.922 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886598 1061329886 /nfs/dbraw/zinc/32/98/86/1061329886.db2.gz GBYSLMGQRILRHK-AGILITTLSA-N 1 0 473.710 2.901 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886703 1061331142 /nfs/dbraw/zinc/33/11/42/1061331142.db2.gz HRVPQSJDUDYGBO-JCYRPKCISA-N 1 0 495.716 2.986 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001289723584 1061332127 /nfs/dbraw/zinc/33/21/27/1061332127.db2.gz YLNISFBMNWSILO-UHFFFAOYSA-N 1 0 480.617 2.628 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289726393 1061334459 /nfs/dbraw/zinc/33/44/59/1061334459.db2.gz RBDCLDCYXBCYHZ-QHCPKHFHSA-N 1 0 484.645 2.857 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001289726486 1061334710 /nfs/dbraw/zinc/33/47/10/1061334710.db2.gz IZULSPXJUIMULG-LJQANCHMSA-N 1 0 455.607 2.544 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001289728931 1061338855 /nfs/dbraw/zinc/33/88/55/1061338855.db2.gz KMQDJEWKXPZMDK-IBGZPJMESA-N 1 0 467.618 2.581 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001289728934 1061338938 /nfs/dbraw/zinc/33/89/38/1061338938.db2.gz KOYJJUWDPISQET-HXUWFJFHSA-N 1 0 484.645 2.998 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289730986 1061341240 /nfs/dbraw/zinc/34/12/40/1061341240.db2.gz YMLWQJXJYGFEQY-ZYLNGJIFSA-N 1 0 470.618 2.872 20 0 JFADRO CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCOCC[NH+](C)C)[C@@H](C)C1 ZINC001286888713 1061343025 /nfs/dbraw/zinc/34/30/25/1061343025.db2.gz QGQPMJZQFQABKG-KRWDZBQOSA-N 1 0 481.066 2.859 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001289733590 1061344358 /nfs/dbraw/zinc/34/43/58/1061344358.db2.gz VTLPMISXFLNXHF-RUZDIDTESA-N 1 0 467.618 2.725 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC(Nc4cccnn4)CC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289735728 1061347684 /nfs/dbraw/zinc/34/76/84/1061347684.db2.gz RAJDFTFAJQLTPJ-IBGZPJMESA-N 1 0 477.617 2.968 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289735816 1061348212 /nfs/dbraw/zinc/34/82/12/1061348212.db2.gz UBKAAHOZQOQVSW-HTAPYJJXSA-N 1 0 480.535 2.993 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289735784 1061348241 /nfs/dbraw/zinc/34/82/41/1061348241.db2.gz SSOPUBDXFMVDPQ-GAJHUEQPSA-N 1 0 462.545 2.695 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289740130 1061353760 /nfs/dbraw/zinc/35/37/60/1061353760.db2.gz LGJLFKUTYGRPSO-GOSISDBHSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cc1C ZINC001289740242 1061354163 /nfs/dbraw/zinc/35/41/63/1061354163.db2.gz MFLSHJITXYOZGK-NRFANRHFSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC001289741168 1061356044 /nfs/dbraw/zinc/35/60/44/1061356044.db2.gz SHAYCNREISRXFM-HXUWFJFHSA-N 1 0 467.618 2.690 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC4CC4)CC3)n2CCCNC(=O)C(C)C)cc1C ZINC001289743795 1061360909 /nfs/dbraw/zinc/36/09/09/1061360909.db2.gz ROBROPQAWFITHJ-UHFFFAOYSA-N 1 0 481.645 2.842 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+]3CCCO)C2)nc1 ZINC001289746532 1061364111 /nfs/dbraw/zinc/36/41/11/1061364111.db2.gz ABALBPLPNOSXMT-NHCUHLMSSA-N 1 0 469.634 2.807 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@H]4CCCCO4)n3CCOCC[NH+](C)C)C2)nc1 ZINC001289747466 1061366501 /nfs/dbraw/zinc/36/65/01/1061366501.db2.gz IPGLXPZQHUILAR-NHCUHLMSSA-N 1 0 485.633 2.656 20 0 JFADRO Cc1ccc(NC(=O)C2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+](C)C)CC2)nc1 ZINC001289747805 1061366932 /nfs/dbraw/zinc/36/69/32/1061366932.db2.gz LWLQQKFIBKFXNK-UHFFFAOYSA-N 1 0 484.649 2.563 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC001286893040 1061367683 /nfs/dbraw/zinc/36/76/83/1061367683.db2.gz DPQONVALZUKISD-UHFFFAOYSA-N 1 0 496.660 2.910 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC001286895569 1061375640 /nfs/dbraw/zinc/37/56/40/1061375640.db2.gz VVVBGKOYDGQNNU-UHFFFAOYSA-N 1 0 482.677 2.873 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC001286895680 1061375922 /nfs/dbraw/zinc/37/59/22/1061375922.db2.gz YOGBNEQFVULYNB-NBGIEHNGSA-N 1 0 495.672 2.862 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001289755045 1061377478 /nfs/dbraw/zinc/37/74/78/1061377478.db2.gz ZFSQFWYLMMVMKA-HXUWFJFHSA-N 1 0 463.586 2.692 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)Nc3ccc(C)cc3)n2CC[N@@H+](C)C(C)C)n1 ZINC001289758081 1061379886 /nfs/dbraw/zinc/37/98/86/1061379886.db2.gz XYZGQXCNBZQQFE-UHFFFAOYSA-N 1 0 452.607 2.863 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001289766441 1061387350 /nfs/dbraw/zinc/38/73/50/1061387350.db2.gz IXJSLMOCRVDUQK-OAQYLSRUSA-N 1 0 478.588 2.776 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286900443 1061391898 /nfs/dbraw/zinc/39/18/98/1061391898.db2.gz GMPMMMAMTOGXER-XTWGIRIWSA-N 1 0 456.639 2.827 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC001289772162 1061393113 /nfs/dbraw/zinc/39/31/13/1061393113.db2.gz FNKVRJZBRZWBBF-RTBURBONSA-N 1 0 461.632 2.519 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](C)C[NH+]2CCCC2)cc1C ZINC001289774856 1061396963 /nfs/dbraw/zinc/39/69/63/1061396963.db2.gz LTZWXYCXJRDXGT-HXUWFJFHSA-N 1 0 484.645 2.501 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286903230 1061401214 /nfs/dbraw/zinc/40/12/14/1061401214.db2.gz HPLCEVIQFFIVLG-UVKLAMSESA-N 1 0 484.645 2.654 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286904559 1061410200 /nfs/dbraw/zinc/41/02/00/1061410200.db2.gz RNOWDXRVBITFAL-QTVRQTFLSA-N 1 0 476.666 2.553 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCCCCC2)CC1 ZINC001286904757 1061412135 /nfs/dbraw/zinc/41/21/35/1061412135.db2.gz XKFUJZNREOOQOD-UHFFFAOYSA-N 1 0 470.666 2.899 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286905263 1061417311 /nfs/dbraw/zinc/41/73/11/1061417311.db2.gz ZAIZWMICAWWZPF-KKHWGRGJSA-N 1 0 490.693 2.943 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289790645 1061417691 /nfs/dbraw/zinc/41/76/91/1061417691.db2.gz JEFXKZYTCWCGFQ-RBBKRZOGSA-N 1 0 454.619 2.953 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001286905636 1061420332 /nfs/dbraw/zinc/42/03/32/1061420332.db2.gz VARBAZLXEBZVSV-QHCPKHFHSA-N 1 0 481.645 2.984 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC(C)(C)C[NH+]2CCCC2)cc1 ZINC001289792049 1061422423 /nfs/dbraw/zinc/42/24/23/1061422423.db2.gz RXJGXZQYLWVTKJ-HXUWFJFHSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001289796411 1061429613 /nfs/dbraw/zinc/42/96/13/1061429613.db2.gz ACUQALDUWGJDAJ-IRXDYDNUSA-N 1 0 468.524 2.620 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001289796410 1061429652 /nfs/dbraw/zinc/42/96/52/1061429652.db2.gz ACUQALDUWGJDAJ-IAGOWNOFSA-N 1 0 468.524 2.620 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286907007 1061434549 /nfs/dbraw/zinc/43/45/49/1061434549.db2.gz IDYJMMNCODEQFK-UYAOXDASSA-N 1 0 462.545 2.992 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC001286907618 1061438671 /nfs/dbraw/zinc/43/86/71/1061438671.db2.gz CYDCEAGPWNYLLT-RBBKRZOGSA-N 1 0 451.550 2.887 20 0 JFADRO 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Cc1ccc(OCc2nnc(N3CCc4nn(C)c(=O)cc4C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001289811463 1061459791 /nfs/dbraw/zinc/45/97/91/1061459791.db2.gz CLSPXGQZGGLWLK-UHFFFAOYSA-N 1 0 465.602 2.552 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001289812029 1061461766 /nfs/dbraw/zinc/46/17/66/1061461766.db2.gz LJIDXKILMSOGTK-NBGIEHNGSA-N 1 0 454.619 2.858 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H]2C)cc1C ZINC001289818156 1061474164 /nfs/dbraw/zinc/47/41/64/1061474164.db2.gz KOYMAAQHROUUKI-UNMCSNQZSA-N 1 0 475.659 2.972 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001286914296 1061481003 /nfs/dbraw/zinc/48/10/03/1061481003.db2.gz WJGSEFVVVUKERD-PQNGQFLHSA-N 1 0 468.646 2.668 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001286914347 1061482099 /nfs/dbraw/zinc/48/20/99/1061482099.db2.gz XBKVKXRMUDNOAP-NQIIRXRSSA-N 1 0 460.648 2.536 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001286914752 1061486546 /nfs/dbraw/zinc/48/65/46/1061486546.db2.gz ZGFFWWUJLKADGS-DHIUTWEWSA-N 1 0 482.608 2.687 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCS(C)(=O)=O)cc1 ZINC001289824418 1061490605 /nfs/dbraw/zinc/49/06/05/1061490605.db2.gz JWXWRFIBPFNPEU-IBGZPJMESA-N 1 0 461.632 2.521 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001289824851 1061493300 /nfs/dbraw/zinc/49/33/00/1061493300.db2.gz QUDBRSLHHVZLFY-UHFFFAOYSA-N 1 0 497.688 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC001289825227 1061495187 /nfs/dbraw/zinc/49/51/87/1061495187.db2.gz XMRBZTBLGYNCCQ-NRFANRHFSA-N 1 0 454.619 2.873 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286918684 1061506794 /nfs/dbraw/zinc/50/67/94/1061506794.db2.gz AUCIQKHGEBNOLA-NHCUHLMSSA-N 1 0 484.645 2.504 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286919090 1061508296 /nfs/dbraw/zinc/50/82/96/1061508296.db2.gz MDKBSVJOBNUYHX-IBGZPJMESA-N 1 0 459.664 2.859 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCOC[C@H]3C)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC001289832446 1061508744 /nfs/dbraw/zinc/50/87/44/1061508744.db2.gz WOVZGSMXLVDPRI-OAQYLSRUSA-N 1 0 456.635 2.725 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC001289833001 1061509199 /nfs/dbraw/zinc/50/91/99/1061509199.db2.gz CIEPGQUCQDQONJ-WIYYLYMNSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286919662 1061510633 /nfs/dbraw/zinc/51/06/33/1061510633.db2.gz KDLXOYHBVUAZTA-DEOSSOPVSA-N 1 0 498.672 2.936 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286921317 1061516800 /nfs/dbraw/zinc/51/68/00/1061516800.db2.gz DIQUJQQXKIEEDU-SFTDATJTSA-N 1 0 489.665 2.795 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCCC2)C1 ZINC001286921677 1061518673 /nfs/dbraw/zinc/51/86/73/1061518673.db2.gz JBUUFDSFFYJJFH-NRFANRHFSA-N 1 0 467.618 2.596 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccccc2OCC[NH+](C)C)C1 ZINC001286924135 1061529363 /nfs/dbraw/zinc/52/93/63/1061529363.db2.gz WIMRPRJXJJIHTM-OAQYLSRUSA-N 1 0 477.613 2.681 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286924474 1061530468 /nfs/dbraw/zinc/53/04/68/1061530468.db2.gz ZYWVSBPVRVVLIX-AZUAARDMSA-N 1 0 456.639 2.542 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c(C)nnc2N2CC[NH+](CC3CCCCC3)CC2)s1 ZINC001289856318 1061534569 /nfs/dbraw/zinc/53/45/69/1061534569.db2.gz PVFQONPNMFFZEA-UHFFFAOYSA-N 1 0 466.677 2.637 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccc(C)n3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001289856379 1061534914 /nfs/dbraw/zinc/53/49/14/1061534914.db2.gz RCZKGMWFVFIOIR-UHFFFAOYSA-N 1 0 497.669 2.856 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001286925965 1061536708 /nfs/dbraw/zinc/53/67/08/1061536708.db2.gz GMSYZAITWACDIN-RDGATRHJSA-N 1 0 482.673 2.917 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001289856906 1061540106 /nfs/dbraw/zinc/54/01/06/1061540106.db2.gz ZPZIMSDHVHRWDY-UHFFFAOYSA-N 1 0 468.693 2.746 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286926787 1061541494 /nfs/dbraw/zinc/54/14/94/1061541494.db2.gz HACBISVCHSFOIT-ZFGGDYGUSA-N 1 0 467.662 2.984 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001286926779 1061541719 /nfs/dbraw/zinc/54/17/19/1061541719.db2.gz HACBISVCHSFOIT-IMSXRSKXSA-N 1 0 467.662 2.984 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001289861972 1061543951 /nfs/dbraw/zinc/54/39/51/1061543951.db2.gz AJBUOVRFPLBDDC-FDDCHVKYSA-N 1 0 474.700 2.983 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[NH+]2CCSCC2)cc1 ZINC001289862483 1061544559 /nfs/dbraw/zinc/54/45/59/1061544559.db2.gz HEGQYFXHOKVUJD-SFHVURJKSA-N 1 0 460.673 2.595 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001286928091 1061546879 /nfs/dbraw/zinc/54/68/79/1061546879.db2.gz KTEVNGNVVAVXAT-ZJSXRUAMSA-N 1 0 496.635 2.934 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001286928367 1061548287 /nfs/dbraw/zinc/54/82/87/1061548287.db2.gz KLPSLALQLNHRTD-NFBKMPQASA-N 1 0 453.635 2.881 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001286930682 1061555971 /nfs/dbraw/zinc/55/59/71/1061555971.db2.gz SUGXNPZKVUWXJD-GMAHTHKFSA-N 1 0 470.666 2.613 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001286931123 1061556835 /nfs/dbraw/zinc/55/68/35/1061556835.db2.gz SWUFEYLLSGWTKO-QFIPXVFZSA-N 1 0 486.636 2.596 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286932226 1061560875 /nfs/dbraw/zinc/56/08/75/1061560875.db2.gz PBHFEQYNEUAJQW-ATIYNZHBSA-N 1 0 490.693 2.792 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCS(=O)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001289877477 1061561132 /nfs/dbraw/zinc/56/11/32/1061561132.db2.gz PCTOAVJNLLEBTK-UHFFFAOYSA-N 1 0 477.700 2.683 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001286935334 1061573611 /nfs/dbraw/zinc/57/36/11/1061573611.db2.gz OMWYGUIWPXALSI-UHFFFAOYSA-N 1 0 477.078 2.924 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC[N@@H+]1CCOC ZINC001294098808 1061579388 /nfs/dbraw/zinc/57/93/88/1061579388.db2.gz KYGFOUVSJDYBCL-RTTLUFELSA-N 1 0 493.693 2.674 20 0 JFADRO CCOc1ccc(C(=O)NCC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1OCC ZINC001294099200 1061579890 /nfs/dbraw/zinc/57/98/90/1061579890.db2.gz KDUQZGXZUVAKKS-UHFFFAOYSA-N 1 0 455.555 2.809 20 0 JFADRO C[C@H](CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294100940 1061581017 /nfs/dbraw/zinc/58/10/17/1061581017.db2.gz KDWWSNFGYSFQME-GOSISDBHSA-N 1 0 452.640 2.576 20 0 JFADRO C[C@@H](CC(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294100941 1061581150 /nfs/dbraw/zinc/58/11/50/1061581150.db2.gz KDWWSNFGYSFQME-SFHVURJKSA-N 1 0 452.640 2.576 20 0 JFADRO CCCCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001294104714 1061585382 /nfs/dbraw/zinc/58/53/82/1061585382.db2.gz SAOPZWRUNKGBND-UHFFFAOYSA-N 1 0 487.693 2.911 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001286940922 1061585609 /nfs/dbraw/zinc/58/56/09/1061585609.db2.gz ISXXRAZWMPTXHA-QZTJIDSGSA-N 1 0 458.588 2.552 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001286940921 1061585690 /nfs/dbraw/zinc/58/56/90/1061585690.db2.gz ISXXRAZWMPTXHA-MSOLQXFVSA-N 1 0 458.588 2.552 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286941109 1061586427 /nfs/dbraw/zinc/58/64/27/1061586427.db2.gz KEQJGBMPFCHGOT-XLIONFOSSA-N 1 0 474.675 2.813 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286941108 1061586476 /nfs/dbraw/zinc/58/64/76/1061586476.db2.gz KEQJGBMPFCHGOT-PXNSSMCTSA-N 1 0 474.675 2.813 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001286941414 1061589445 /nfs/dbraw/zinc/58/94/45/1061589445.db2.gz MLVJTGLABSWYHV-OAQYLSRUSA-N 1 0 461.010 2.816 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001286941804 1061591941 /nfs/dbraw/zinc/59/19/41/1061591941.db2.gz DKZFZALQGYODOV-PKTZIBPZSA-N 1 0 476.666 2.619 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001286942688 1061596246 /nfs/dbraw/zinc/59/62/46/1061596246.db2.gz WRQJVQIBNVFTRR-SFHVURJKSA-N 1 0 479.000 2.953 20 0 JFADRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001294121238 1061601241 /nfs/dbraw/zinc/60/12/41/1061601241.db2.gz FHRRCVDQKFTDAN-OALUTQOASA-N 1 0 455.416 2.695 20 0 JFADRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001294121242 1061602228 /nfs/dbraw/zinc/60/22/28/1061602228.db2.gz FHRRCVDQKFTDAN-RTBURBONSA-N 1 0 455.416 2.695 20 0 JFADRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001294121240 1061602279 /nfs/dbraw/zinc/60/22/79/1061602279.db2.gz FHRRCVDQKFTDAN-RBUKOAKNSA-N 1 0 455.416 2.695 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286943535 1061603165 /nfs/dbraw/zinc/60/31/65/1061603165.db2.gz BESUUIBZEDBFHK-XZOQPEGZSA-N 1 0 496.612 2.711 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC001289912145 1061603837 /nfs/dbraw/zinc/60/38/37/1061603837.db2.gz BMJBOMJVJNJEIG-UHFFFAOYSA-N 1 0 483.661 2.892 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289917658 1061610449 /nfs/dbraw/zinc/61/04/49/1061610449.db2.gz TUJGFNNSGYXMTD-BGYRXZFFSA-N 1 0 477.613 2.883 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3ccc(C(N)=O)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001289917660 1061610502 /nfs/dbraw/zinc/61/05/02/1061610502.db2.gz TUJGFNNSGYXMTD-WOJBJXKFSA-N 1 0 477.613 2.883 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3ncc(Cl)n3C)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001289923156 1061616263 /nfs/dbraw/zinc/61/62/63/1061616263.db2.gz KHIFCOWBLJMQJU-SFHVURJKSA-N 1 0 473.025 2.909 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC001294139710 1061626107 /nfs/dbraw/zinc/62/61/07/1061626107.db2.gz OPGSWLQZCSXUSK-SZOBAZRNSA-N 1 0 455.599 2.995 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001294141005 1061629335 /nfs/dbraw/zinc/62/93/35/1061629335.db2.gz YXWHPAMEBFJDFL-WZONZLPQSA-N 1 0 457.596 2.584 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)N(C)c4ccccc4)C3)n2CCOCC[NH+](C)C)n1 ZINC001289947863 1061639221 /nfs/dbraw/zinc/63/92/21/1061639221.db2.gz MPSPAYDTCBJJGS-OAQYLSRUSA-N 1 0 477.613 2.716 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001289948269 1061640294 /nfs/dbraw/zinc/64/02/94/1061640294.db2.gz VHQATRWVOYROQP-OAQYLSRUSA-N 1 0 451.550 2.792 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCN2CCOC[C@H]2C)n1 ZINC001289950546 1061644951 /nfs/dbraw/zinc/64/49/51/1061644951.db2.gz HLZTTWUVFOUOLX-OAQYLSRUSA-N 1 0 455.651 2.926 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCCOC(F)F)n1 ZINC001289951584 1061647155 /nfs/dbraw/zinc/64/71/55/1061647155.db2.gz WXLDKMSRZUGZDA-UHFFFAOYSA-N 1 0 450.534 2.826 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001289955464 1061652860 /nfs/dbraw/zinc/65/28/60/1061652860.db2.gz UIQASGANIAODTD-HSZRJFAPSA-N 1 0 497.669 2.812 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001286948563 1061660820 /nfs/dbraw/zinc/66/08/20/1061660820.db2.gz SKBARUXTVAIDDR-WMZHIEFXSA-N 1 0 472.609 2.614 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001286948561 1061660836 /nfs/dbraw/zinc/66/08/36/1061660836.db2.gz SKBARUXTVAIDDR-AUSIDOKSSA-N 1 0 472.609 2.614 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC001286948562 1061660884 /nfs/dbraw/zinc/66/08/84/1061660884.db2.gz SKBARUXTVAIDDR-CVDCTZTESA-N 1 0 472.609 2.614 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001294166546 1061663220 /nfs/dbraw/zinc/66/32/20/1061663220.db2.gz HDOXYSSPOYWBQL-UHFFFAOYSA-N 1 0 473.666 2.521 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001289971356 1061675154 /nfs/dbraw/zinc/67/51/54/1061675154.db2.gz CKMUVLGOPZOIFX-FQEVSTJZSA-N 1 0 485.633 2.722 20 0 JFADRO CC(=O)NCCCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001286950422 1061681000 /nfs/dbraw/zinc/68/10/00/1061681000.db2.gz ZXENJBBIKUFVJM-UHFFFAOYSA-N 1 0 461.408 2.766 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001289972304 1061681153 /nfs/dbraw/zinc/68/11/53/1061681153.db2.gz KETCBRAWCKENJA-LJQANCHMSA-N 1 0 460.648 2.926 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001286950880 1061685114 /nfs/dbraw/zinc/68/51/14/1061685114.db2.gz ATGGSSMXWIKATR-HMXCVIKNSA-N 1 0 489.665 2.592 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001289975631 1061695955 /nfs/dbraw/zinc/69/59/55/1061695955.db2.gz WJRPHYCGNOHRSO-HXUWFJFHSA-N 1 0 469.634 2.500 20 0 JFADRO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286953706 1061701634 /nfs/dbraw/zinc/70/16/34/1061701634.db2.gz UFWDMYPIGWHMHB-IBGZPJMESA-N 1 0 456.639 2.686 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001289985598 1061710491 /nfs/dbraw/zinc/71/04/91/1061710491.db2.gz NPTOHHPHWHJWJQ-ZEQKJWHPSA-N 1 0 464.614 2.911 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294208262 1061710726 /nfs/dbraw/zinc/71/07/26/1061710726.db2.gz BEHUHBPAOPUTCM-UHFFFAOYSA-N 1 0 468.650 2.942 20 0 JFADRO CC(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001286956302 1061713769 /nfs/dbraw/zinc/71/37/69/1061713769.db2.gz GNGGHHTUEPDSAV-UHFFFAOYSA-N 1 0 481.689 2.584 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001294209865 1061714080 /nfs/dbraw/zinc/71/40/80/1061714080.db2.gz CBQWGGOWEFUHJL-NRFANRHFSA-N 1 0 458.582 2.963 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001294210591 1061715051 /nfs/dbraw/zinc/71/50/51/1061715051.db2.gz MTAZQJJKBAWPQC-RUZDIDTESA-N 1 0 469.634 2.842 20 0 JFADRO CC(=O)NCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001286956686 1061715459 /nfs/dbraw/zinc/71/54/59/1061715459.db2.gz TXYFLJRLODWDGP-UHFFFAOYSA-N 1 0 497.688 2.563 20 0 JFADRO CC(=O)NCCN(Cc1ccc(C)s1)c1nnc([C@H]2CCCO2)n1CC[N@H+]1CC=CCC1 ZINC001286958013 1061723223 /nfs/dbraw/zinc/72/32/23/1061723223.db2.gz VZNHXAAMPGVRSP-OAQYLSRUSA-N 1 0 458.632 2.904 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294214942 1061724131 /nfs/dbraw/zinc/72/41/31/1061724131.db2.gz OIFPWBAUZFDYML-FQEVSTJZSA-N 1 0 480.411 2.799 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294216998 1061726451 /nfs/dbraw/zinc/72/64/51/1061726451.db2.gz NLLGEFAEOWILLB-GOSISDBHSA-N 1 0 489.564 2.848 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286959009 1061727113 /nfs/dbraw/zinc/72/71/13/1061727113.db2.gz RKSIJFZYOPMIKK-LQWHRVPQSA-N 1 0 487.674 2.554 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 ZINC001294220746 1061731796 /nfs/dbraw/zinc/73/17/96/1061731796.db2.gz OEXFGVYPTOVUMY-UHFFFAOYSA-N 1 0 485.658 2.824 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001294223519 1061733563 /nfs/dbraw/zinc/73/35/63/1061733563.db2.gz GZCNFVVLRNBREB-UHFFFAOYSA-N 1 0 453.591 2.804 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001294224352 1061734815 /nfs/dbraw/zinc/73/48/15/1061734815.db2.gz RIYYXSWZWZNCGD-QFIPXVFZSA-N 1 0 453.635 2.905 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 ZINC001294224785 1061735544 /nfs/dbraw/zinc/73/55/44/1061735544.db2.gz ZNHLPQRCCFDTOP-SFHVURJKSA-N 1 0 462.668 2.992 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC001294224682 1061735928 /nfs/dbraw/zinc/73/59/28/1061735928.db2.gz WVCHRLDRPFMVFQ-PMACEKPBSA-N 1 0 462.545 2.817 20 0 JFADRO Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001290017638 1061741933 /nfs/dbraw/zinc/74/19/33/1061741933.db2.gz SVHWBBLVLHTGAA-TZIWHRDSSA-N 1 0 460.648 2.504 20 0 JFADRO Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001290017635 1061742032 /nfs/dbraw/zinc/74/20/32/1061742032.db2.gz SVHWBBLVLHTGAA-CTNGQTDRSA-N 1 0 460.648 2.504 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294228079 1061742334 /nfs/dbraw/zinc/74/23/34/1061742334.db2.gz ALEQWRPNPOZKFB-MHECFPHRSA-N 1 0 477.654 2.784 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001294229250 1061745917 /nfs/dbraw/zinc/74/59/17/1061745917.db2.gz MGVSKJCQVYZSTG-NRFANRHFSA-N 1 0 458.582 2.849 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294230015 1061746468 /nfs/dbraw/zinc/74/64/68/1061746468.db2.gz SSBWHRHTEVYSEA-NHCUHLMSSA-N 1 0 458.582 2.976 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nnc1C(C)(C)C ZINC001294230061 1061747023 /nfs/dbraw/zinc/74/70/23/1061747023.db2.gz UPYIJIBRQKJGIY-UHFFFAOYSA-N 1 0 486.690 2.699 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001294230425 1061748070 /nfs/dbraw/zinc/74/80/70/1061748070.db2.gz WGBKLNBGNIXUOV-NRFANRHFSA-N 1 0 487.693 2.607 20 0 JFADRO CN(CC[NH+](C)C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC001294235716 1061749833 /nfs/dbraw/zinc/74/98/33/1061749833.db2.gz GJECCBRHNNZBPY-UHFFFAOYSA-N 1 0 454.390 2.908 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001290041540 1061757228 /nfs/dbraw/zinc/75/72/28/1061757228.db2.gz GLPLLPJORGHAJP-LJQANCHMSA-N 1 0 453.635 2.696 20 0 JFADRO C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286973043 1061757981 /nfs/dbraw/zinc/75/79/81/1061757981.db2.gz LOEFNMSNNNLHCB-LJQANCHMSA-N 1 0 459.683 2.629 20 0 JFADRO CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001294260591 1061762449 /nfs/dbraw/zinc/76/24/49/1061762449.db2.gz NJPAHFBRUFXVJS-HXUWFJFHSA-N 1 0 490.674 2.544 20 0 JFADRO Cc1c(CN(C)c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCOCC2)cnn1C ZINC001290047151 1061766644 /nfs/dbraw/zinc/76/66/44/1061766644.db2.gz NLHKXWUJQWYWQA-UHFFFAOYSA-N 1 0 467.618 2.955 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CCC[N@H+]2CCCC[C@H]2C)c1 ZINC001290047703 1061767280 /nfs/dbraw/zinc/76/72/80/1061767280.db2.gz SLJZJANXPCYIRP-JOCHJYFZSA-N 1 0 484.645 2.725 20 0 JFADRO CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001290051443 1061769571 /nfs/dbraw/zinc/76/95/71/1061769571.db2.gz VHWARFLMEHBLLW-HXUWFJFHSA-N 1 0 458.603 2.660 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290053096 1061770952 /nfs/dbraw/zinc/77/09/52/1061770952.db2.gz VRAWHPJINPFCRA-JTHBVZDNSA-N 1 0 457.619 2.995 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)CCc3cnccn3)n2CC2([NH+](C)C)CCOCC2)c1 ZINC001290053990 1061772614 /nfs/dbraw/zinc/77/26/14/1061772614.db2.gz BWFQDUHXRUWECV-UHFFFAOYSA-N 1 0 465.602 2.745 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290060457 1061781331 /nfs/dbraw/zinc/78/13/31/1061781331.db2.gz VRKRVFQUORNBML-UXHICEINSA-N 1 0 454.619 2.988 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCOCC1 ZINC001286976158 1061781594 /nfs/dbraw/zinc/78/15/94/1061781594.db2.gz IBFHDVRHNJGYML-UAFMIMERSA-N 1 0 499.722 2.565 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001290062674 1061784812 /nfs/dbraw/zinc/78/48/12/1061784812.db2.gz DQFBGYDQWHUIEJ-SFTDATJTSA-N 1 0 484.645 2.757 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290062673 1061784863 /nfs/dbraw/zinc/78/48/63/1061784863.db2.gz DQFBGYDQWHUIEJ-OYRHEFFESA-N 1 0 484.645 2.757 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2C[C@@H](CC(C)C)[NH+](C)C)c1 ZINC001290062689 1061785607 /nfs/dbraw/zinc/78/56/07/1061785607.db2.gz LVDZHBLPTHWWES-HXUWFJFHSA-N 1 0 497.644 2.662 20 0 JFADRO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001286977297 1061789862 /nfs/dbraw/zinc/78/98/62/1061789862.db2.gz KVBYSTVFJIVTMA-JOCHJYFZSA-N 1 0 486.636 2.550 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001290066646 1061790785 /nfs/dbraw/zinc/79/07/85/1061790785.db2.gz OHRHPXSVJBHDCB-DENIHFKCSA-N 1 0 483.535 2.780 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290067343 1061792423 /nfs/dbraw/zinc/79/24/23/1061792423.db2.gz YDKAUVSHUZLSHR-BDTNDASRSA-N 1 0 484.645 2.757 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294306113 1061793618 /nfs/dbraw/zinc/79/36/18/1061793618.db2.gz GIGPGLJLKTUXGI-JOCHJYFZSA-N 1 0 489.709 2.716 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC001294308167 1061795336 /nfs/dbraw/zinc/79/53/36/1061795336.db2.gz HYOIKCNAPGIMFC-LJQANCHMSA-N 1 0 481.692 2.517 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294308300 1061795898 /nfs/dbraw/zinc/79/58/98/1061795898.db2.gz PXSPBNBEJYDXCJ-NRFANRHFSA-N 1 0 498.676 2.508 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001294308935 1061798016 /nfs/dbraw/zinc/79/80/16/1061798016.db2.gz WNQNWAWKOJIECY-NRFANRHFSA-N 1 0 471.654 2.579 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001294309758 1061800218 /nfs/dbraw/zinc/80/02/18/1061800218.db2.gz YUWBCXCUPBZPMG-QFIPXVFZSA-N 1 0 459.683 2.801 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001294310169 1061800842 /nfs/dbraw/zinc/80/08/42/1061800842.db2.gz FJQDPNVXXYXYAT-NJYVYQBISA-N 1 0 462.639 2.514 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC001294311699 1061802088 /nfs/dbraw/zinc/80/20/88/1061802088.db2.gz NUGNNXMUMCOTIB-NJYVYQBISA-N 1 0 473.666 2.769 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](C4CCCC4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001290074798 1061802919 /nfs/dbraw/zinc/80/29/19/1061802919.db2.gz OOHVKDJJZWOLPX-UHFFFAOYSA-N 1 0 462.545 2.611 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001294312038 1061802982 /nfs/dbraw/zinc/80/29/82/1061802982.db2.gz SBSKTEPKLVZLNS-GUDVDZBRSA-N 1 0 485.599 2.957 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312323 1061803925 /nfs/dbraw/zinc/80/39/25/1061803925.db2.gz YMFWYXYJUPLJHS-YADHBBJMSA-N 1 0 487.693 2.967 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294313214 1061805214 /nfs/dbraw/zinc/80/52/14/1061805214.db2.gz BLDXXNKWNFHHET-XZOQPEGZSA-N 1 0 468.646 2.783 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001286979357 1061805794 /nfs/dbraw/zinc/80/57/94/1061805794.db2.gz YNFHXJKOGIOGQB-MOPGFXCFSA-N 1 0 462.664 2.644 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294314515 1061806219 /nfs/dbraw/zinc/80/62/19/1061806219.db2.gz GXWJKAZIOCFKRF-HSZRJFAPSA-N 1 0 453.635 2.977 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001294315674 1061808849 /nfs/dbraw/zinc/80/88/49/1061808849.db2.gz COUPAPPLOSJJAL-YPAWHYETSA-N 1 0 487.693 2.767 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCO[C@H](Cn4cccn4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001290078616 1061808983 /nfs/dbraw/zinc/80/89/83/1061808983.db2.gz WXNFBQOCFYAFEG-QFIPXVFZSA-N 1 0 453.591 2.608 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 ZINC001294316059 1061808984 /nfs/dbraw/zinc/80/89/84/1061808984.db2.gz NBXSBOSVMHSZDA-HBMCJLEFSA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001294316074 1061809486 /nfs/dbraw/zinc/80/94/86/1061809486.db2.gz DIQQVZNGAYEDPY-UYAOXDASSA-N 1 0 458.582 2.962 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1CCCC1 ZINC001286979986 1061810346 /nfs/dbraw/zinc/81/03/46/1061810346.db2.gz JVHDUEQMOYFBPK-WOJBJXKFSA-N 1 0 485.658 2.875 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001294317212 1061812971 /nfs/dbraw/zinc/81/29/71/1061812971.db2.gz KDVKXPLLFMJKNP-RBUKOAKNSA-N 1 0 471.654 2.762 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCCC1)S(C)(=O)=O ZINC001286980620 1061814673 /nfs/dbraw/zinc/81/46/73/1061814673.db2.gz KWTBTRHKVXIUHV-ZWKOTPCHSA-N 1 0 458.632 2.790 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294317818 1061815682 /nfs/dbraw/zinc/81/56/82/1061815682.db2.gz NVPIGEQMBQMIEF-GOSISDBHSA-N 1 0 486.583 2.949 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001294317917 1061816773 /nfs/dbraw/zinc/81/67/73/1061816773.db2.gz YYSHYZZWVAYVIT-HXUWFJFHSA-N 1 0 456.639 2.718 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294318976 1061820338 /nfs/dbraw/zinc/82/03/38/1061820338.db2.gz XPFUMLFORWFWER-PXDATVDWSA-N 1 0 476.666 2.643 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294318977 1061820384 /nfs/dbraw/zinc/82/03/84/1061820384.db2.gz XPFUMLFORWFWER-SQJMNOBHSA-N 1 0 476.666 2.643 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001294322689 1061827292 /nfs/dbraw/zinc/82/72/92/1061827292.db2.gz UEAJOQPTLXMEDW-WIOPSUGQSA-N 1 0 481.689 2.926 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001286983180 1061833253 /nfs/dbraw/zinc/83/32/53/1061833253.db2.gz RJGQPFGFZSDGJA-GUDVDZBRSA-N 1 0 488.658 2.531 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001290104440 1061833976 /nfs/dbraw/zinc/83/39/76/1061833976.db2.gz WOTDTEQPXROKLK-NRFANRHFSA-N 1 0 454.619 2.813 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001294327799 1061843683 /nfs/dbraw/zinc/84/36/83/1061843683.db2.gz XIZFMXGBIBSDNT-HSALFYBXSA-N 1 0 454.623 2.741 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001286984730 1061846727 /nfs/dbraw/zinc/84/67/27/1061846727.db2.gz ICRZGEFNTNJUAL-UHFFFAOYSA-N 1 0 496.660 2.790 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCOCCS(C)(=O)=O ZINC001290118960 1061848435 /nfs/dbraw/zinc/84/84/35/1061848435.db2.gz UCSGJBPDUIDTPD-UHFFFAOYSA-N 1 0 475.659 2.769 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001290120345 1061850026 /nfs/dbraw/zinc/85/00/26/1061850026.db2.gz LLXMVLPIPFSFMG-UHFFFAOYSA-N 1 0 467.536 2.994 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294330688 1061850191 /nfs/dbraw/zinc/85/01/91/1061850191.db2.gz PQCUGNKBSGTVOP-WOZUAGRISA-N 1 0 487.693 2.871 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001290124422 1061854341 /nfs/dbraw/zinc/85/43/41/1061854341.db2.gz IMUQZSZUQHELNQ-IBGZPJMESA-N 1 0 462.664 2.607 20 0 JFADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294331352 1061855077 /nfs/dbraw/zinc/85/50/77/1061855077.db2.gz FGZOWAMGEUBTAG-IRLDBZIGSA-N 1 0 474.694 2.987 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001290125111 1061855684 /nfs/dbraw/zinc/85/56/84/1061855684.db2.gz XXJYEMZFKVPWKJ-OAQYLSRUSA-N 1 0 474.675 2.846 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001294331850 1061856370 /nfs/dbraw/zinc/85/63/70/1061856370.db2.gz GCFPTNBHVBJVAZ-UHFFFAOYSA-N 1 0 452.599 2.946 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001290128784 1061860890 /nfs/dbraw/zinc/86/08/90/1061860890.db2.gz HJAVEPQWDOARIP-HXUWFJFHSA-N 1 0 464.618 2.817 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294332909 1061862499 /nfs/dbraw/zinc/86/24/99/1061862499.db2.gz LGRZWQSSJMFMEG-LOYIFYEOSA-N 1 0 498.672 2.753 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001290129793 1061863386 /nfs/dbraw/zinc/86/33/86/1061863386.db2.gz MZQPOFUGUOURRG-JOCHJYFZSA-N 1 0 479.629 2.796 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(=O)NCC(F)(F)F ZINC001290130199 1061864322 /nfs/dbraw/zinc/86/43/22/1061864322.db2.gz PERPTFRIUVBDQK-KRWDZBQOSA-N 1 0 480.535 2.622 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C3=NCC(C)(C)S3)CC2)n1CCOCC[NH+](C)C ZINC001290130202 1061864401 /nfs/dbraw/zinc/86/44/01/1061864401.db2.gz PLGXTOOBMIGFLK-UHFFFAOYSA-N 1 0 471.675 2.835 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCCC[NH+]1CCCC1 ZINC001290131566 1061865115 /nfs/dbraw/zinc/86/51/15/1061865115.db2.gz BETZSVYKXHDNPT-UHFFFAOYSA-N 1 0 460.648 2.601 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001290130605 1061865244 /nfs/dbraw/zinc/86/52/44/1061865244.db2.gz WUIIFLCKYGKKNH-QHCPKHFHSA-N 1 0 481.689 2.974 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O ZINC001290131205 1061865267 /nfs/dbraw/zinc/86/52/67/1061865267.db2.gz DSLHHZMFISWQFC-HOCLYGCPSA-N 1 0 455.386 2.723 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCOC(C)C)CC2)n1CCN1CCOC[C@@H]1C ZINC001290133243 1061866297 /nfs/dbraw/zinc/86/62/97/1061866297.db2.gz NXSJKMFOTKNQKC-QFIPXVFZSA-N 1 0 456.635 2.521 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001290133630 1061868303 /nfs/dbraw/zinc/86/83/03/1061868303.db2.gz TXMMUVJZTCNVJL-UHFFFAOYSA-N 1 0 489.686 2.751 20 0 JFADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001286987566 1061871393 /nfs/dbraw/zinc/87/13/93/1061871393.db2.gz WZFVBQAFUQLUFN-CTNGQTDRSA-N 1 0 460.667 2.771 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001294335840 1061872841 /nfs/dbraw/zinc/87/28/41/1061872841.db2.gz RODVWAJABGLGMV-FGZHOGPDSA-N 1 0 487.693 2.911 20 0 JFADRO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001286988677 1061877985 /nfs/dbraw/zinc/87/79/85/1061877985.db2.gz CNVXSXWGVXRIPI-OFVILXPXSA-N 1 0 456.635 2.752 20 0 JFADRO Cc1ccccc1CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001290145532 1061884302 /nfs/dbraw/zinc/88/43/02/1061884302.db2.gz LQYNKUPCCQVVFT-QHCPKHFHSA-N 1 0 482.673 2.622 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001294340997 1061886985 /nfs/dbraw/zinc/88/69/85/1061886985.db2.gz BWXFEZZPFQMWIR-HXUWFJFHSA-N 1 0 456.639 2.687 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001286990864 1061887452 /nfs/dbraw/zinc/88/74/52/1061887452.db2.gz ZIASEOAOTSDHNR-UHFFFAOYSA-N 1 0 455.632 2.862 20 0 JFADRO Cc1ccccc1[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)C(C)C)CCO1 ZINC001290146705 1061889389 /nfs/dbraw/zinc/88/93/89/1061889389.db2.gz YHEHWBHMMQPNEW-RBBKRZOGSA-N 1 0 475.659 2.797 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)Cc2cnn(C)c2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290151330 1061892562 /nfs/dbraw/zinc/89/25/62/1061892562.db2.gz UZHCEZURVYRWRM-UHFFFAOYSA-N 1 0 451.619 2.783 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCCCO1 ZINC001286995680 1061907652 /nfs/dbraw/zinc/90/76/52/1061907652.db2.gz OREKZNVHTDQQJP-NRFANRHFSA-N 1 0 460.667 2.963 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001290170732 1061913748 /nfs/dbraw/zinc/91/37/48/1061913748.db2.gz HOZOISXNTIMWSN-NZQKXSOJSA-N 1 0 488.702 2.958 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001290172845 1061916437 /nfs/dbraw/zinc/91/64/37/1061916437.db2.gz DBSXLAASODNLFB-UHFFFAOYSA-N 1 0 482.673 2.719 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287001317 1061916958 /nfs/dbraw/zinc/91/69/58/1061916958.db2.gz YDBZXRNNTNLAMZ-KRWDZBQOSA-N 1 0 478.041 2.914 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290174727 1061920715 /nfs/dbraw/zinc/92/07/15/1061920715.db2.gz RAFCSPODNULKDG-UHFFFAOYSA-N 1 0 495.716 2.946 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001294356811 1061922832 /nfs/dbraw/zinc/92/28/32/1061922832.db2.gz AVHLBTAPEWQOLF-NRFANRHFSA-N 1 0 487.693 2.654 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001287006138 1061925641 /nfs/dbraw/zinc/92/56/41/1061925641.db2.gz AGWMPUDBRKBAQF-UHFFFAOYSA-N 1 0 473.710 2.976 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001290177964 1061926779 /nfs/dbraw/zinc/92/67/79/1061926779.db2.gz ZBAXDXBYMMCWQC-NRFANRHFSA-N 1 0 474.675 2.523 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1Cc1ccccc1OC(F)F ZINC001287006795 1061928737 /nfs/dbraw/zinc/92/87/37/1061928737.db2.gz BZYIHUNHNGLUAW-UHFFFAOYSA-N 1 0 476.572 2.970 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287007699 1061931610 /nfs/dbraw/zinc/93/16/10/1061931610.db2.gz PHHNQUXACAZOSQ-OAQYLSRUSA-N 1 0 472.609 2.524 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC(C)C)CC1 ZINC001290195967 1061937057 /nfs/dbraw/zinc/93/70/57/1061937057.db2.gz GFCRROPVHUQVSQ-JOCHJYFZSA-N 1 0 454.619 2.717 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287010205 1061940726 /nfs/dbraw/zinc/94/07/26/1061940726.db2.gz HKQSUGMWSMNEMG-QGZVFWFLSA-N 1 0 464.561 2.821 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cccc(Br)n1 ZINC001287011627 1061943222 /nfs/dbraw/zinc/94/32/22/1061943222.db2.gz SZPUUABXRDMINP-INIZCTEOSA-N 1 0 463.424 2.940 20 0 JFADRO CC(C)(C)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1CCCC[NH+]1CCOCC1 ZINC001287011926 1061943753 /nfs/dbraw/zinc/94/37/53/1061943753.db2.gz KVGLWGSUSDKBHX-JOCHJYFZSA-N 1 0 457.619 2.972 20 0 JFADRO C[NH+](C)C1CCN(CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 ZINC001294375968 1061949579 /nfs/dbraw/zinc/94/95/79/1061949579.db2.gz IUIQNCVJFMVPBI-QFIPXVFZSA-N 1 0 457.619 2.746 20 0 JFADRO CCCCOc1ncccc1Cn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001294380777 1061953834 /nfs/dbraw/zinc/95/38/34/1061953834.db2.gz NQQOHLGGWWEZLN-NRFANRHFSA-N 1 0 483.661 2.941 20 0 JFADRO CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294381949 1061955066 /nfs/dbraw/zinc/95/50/66/1061955066.db2.gz XZRPTVKBFQCJRH-UHFFFAOYSA-N 1 0 469.634 2.943 20 0 JFADRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)C1 ZINC001294385810 1061957353 /nfs/dbraw/zinc/95/73/53/1061957353.db2.gz OGWRNDGTBNMXHJ-IBGZPJMESA-N 1 0 451.608 2.997 20 0 JFADRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1 ZINC001294386159 1061957951 /nfs/dbraw/zinc/95/79/51/1061957951.db2.gz UTWXUYYDVBPWJA-QGZVFWFLSA-N 1 0 455.571 2.556 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C3CCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001290216829 1061960896 /nfs/dbraw/zinc/96/08/96/1061960896.db2.gz BIERHONEWYMUGG-UHFFFAOYSA-N 1 0 474.675 2.953 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@H](C[NH+]3CCCCC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287024354 1061966067 /nfs/dbraw/zinc/96/60/67/1061966067.db2.gz PLYPBWAPFAMQOX-WOJBJXKFSA-N 1 0 466.696 2.603 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001287027751 1061974315 /nfs/dbraw/zinc/97/43/15/1061974315.db2.gz CFZGIKOYTFNLJD-RDPSFJRHSA-N 1 0 481.707 2.509 20 0 JFADRO C[N@H+](CCNC(=O)c1cccn2c(I)cnc12)Cc1ccc(F)cc1 ZINC001294407908 1061974716 /nfs/dbraw/zinc/97/47/16/1061974716.db2.gz VILGDXKMOYQDBQ-UHFFFAOYSA-N 1 0 452.271 2.940 20 0 JFADRO C[NH+](C)CCCN(C(=O)C(F)(F)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001294413715 1061979208 /nfs/dbraw/zinc/97/92/08/1061979208.db2.gz COKCFKIXRUFNSE-HNNXBMFYSA-N 1 0 453.349 2.508 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCOC[C@H]1CCOC1 ZINC001287029541 1061979162 /nfs/dbraw/zinc/97/91/62/1061979162.db2.gz BYUGJIUNOXFCEZ-FCHUYYIVSA-N 1 0 463.667 2.859 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCNC(=O)c1cccs1 ZINC001287030089 1061980372 /nfs/dbraw/zinc/98/03/72/1061980372.db2.gz JAOVQBBDWRWBJE-LJQANCHMSA-N 1 0 474.675 2.907 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001287031585 1061984391 /nfs/dbraw/zinc/98/43/91/1061984391.db2.gz IDOUOIHYOAWYOI-FQEVSTJZSA-N 1 0 481.707 2.915 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001287032037 1061985935 /nfs/dbraw/zinc/98/59/35/1061985935.db2.gz XUJHBJDFYPAEMW-VXKWHMMOSA-N 1 0 468.646 2.573 20 0 JFADRO CCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001294427085 1061986483 /nfs/dbraw/zinc/98/64/83/1061986483.db2.gz JETHZCTYCJMEKJ-QZTJIDSGSA-N 1 0 453.595 2.655 20 0 JFADRO CCCN(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCc1nnc(C)s1 ZINC001294445982 1061994280 /nfs/dbraw/zinc/99/42/80/1061994280.db2.gz RHAQRINXYKGPCW-UHFFFAOYSA-N 1 0 454.648 2.892 20 0 JFADRO CC1=CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001290265388 1061996046 /nfs/dbraw/zinc/99/60/46/1061996046.db2.gz WYIBFKLORWULDG-UHFFFAOYSA-N 1 0 452.603 2.936 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001290265562 1061996101 /nfs/dbraw/zinc/99/61/01/1061996101.db2.gz NKPADJHFYGUADC-HKUYNNGSSA-N 1 0 457.434 2.645 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@@H](C)OC)n2)C1 ZINC001294453777 1061998489 /nfs/dbraw/zinc/99/84/89/1061998489.db2.gz GKUMLGOLCQFRKB-QZTJIDSGSA-N 1 0 475.663 2.894 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287034752 1061998766 /nfs/dbraw/zinc/99/87/66/1061998766.db2.gz VKMQCPKXTOIOFS-HXUWFJFHSA-N 1 0 484.636 2.524 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCNS(C)(=O)=O)C1 ZINC001294455534 1062002425 /nfs/dbraw/zinc/00/24/25/1062002425.db2.gz FPHYGFHTKRSSPU-SFHVURJKSA-N 1 0 494.731 2.993 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1CCNC(=O)Cc1cccc(F)c1 ZINC001287036699 1062002928 /nfs/dbraw/zinc/00/29/28/1062002928.db2.gz YHQVPCAHUIGLKZ-UHFFFAOYSA-N 1 0 456.610 2.897 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)C1 ZINC001294455721 1062003148 /nfs/dbraw/zinc/00/31/48/1062003148.db2.gz ZLSIBYAMBMWCGO-IBGZPJMESA-N 1 0 457.648 2.847 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294456766 1062004085 /nfs/dbraw/zinc/00/40/85/1062004085.db2.gz JROBJMCMBGUZDU-ROUUACIJSA-N 1 0 494.482 2.925 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287039250 1062006011 /nfs/dbraw/zinc/00/60/11/1062006011.db2.gz AKTWSSHOYMIUKY-UHFFFAOYSA-N 1 0 496.534 2.911 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001287039698 1062006508 /nfs/dbraw/zinc/00/65/08/1062006508.db2.gz MDMUGFIMYMJSTI-LJQANCHMSA-N 1 0 492.665 2.924 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040886 1062007521 /nfs/dbraw/zinc/00/75/21/1062007521.db2.gz AWDYBGFTKKJOAM-RTBURBONSA-N 1 0 488.599 2.603 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287040883 1062007569 /nfs/dbraw/zinc/00/75/69/1062007569.db2.gz AWDYBGFTKKJOAM-MOPGFXCFSA-N 1 0 488.599 2.603 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294460722 1062009106 /nfs/dbraw/zinc/00/91/06/1062009106.db2.gz JHMQOULQFRBVKO-PZJWPPBQSA-N 1 0 490.674 2.546 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCOC2)CC1 ZINC001287041802 1062010378 /nfs/dbraw/zinc/01/03/78/1062010378.db2.gz RVTSBCINEPPHKD-DEOSSOPVSA-N 1 0 461.582 2.706 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)C1 ZINC001294461785 1062011504 /nfs/dbraw/zinc/01/15/04/1062011504.db2.gz DQSZURHGLJMHAO-HXUWFJFHSA-N 1 0 483.642 2.549 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001287042488 1062012416 /nfs/dbraw/zinc/01/24/16/1062012416.db2.gz PBUWUFPHJAIPES-UHFFFAOYSA-N 1 0 491.600 2.775 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)(F)F)C1 ZINC001294462875 1062012898 /nfs/dbraw/zinc/01/28/98/1062012898.db2.gz MUNZFRCJGNFKID-MRXNPFEDSA-N 1 0 468.524 2.800 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287042899 1062013989 /nfs/dbraw/zinc/01/39/89/1062013989.db2.gz YVHOBDJWYFUJNP-UHFFFAOYSA-N 1 0 481.066 2.945 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001287042939 1062014038 /nfs/dbraw/zinc/01/40/38/1062014038.db2.gz JHRNREBKUCICHS-QUCCMNQESA-N 1 0 475.659 2.820 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCS(C)(=O)=O)CC1 ZINC001287043249 1062014613 /nfs/dbraw/zinc/01/46/13/1062014613.db2.gz VKZRXTDCGHIUFG-UHFFFAOYSA-N 1 0 475.615 2.673 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C(=O)OC(C)(C)C)C1 ZINC001294464895 1062014960 /nfs/dbraw/zinc/01/49/60/1062014960.db2.gz ZCSAHUHFVFAUPI-SFHVURJKSA-N 1 0 460.627 2.714 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCn2cncn2)CC1 ZINC001287043858 1062016963 /nfs/dbraw/zinc/01/69/63/1062016963.db2.gz OFUJFSLJDSULOH-UHFFFAOYSA-N 1 0 489.422 2.832 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467784 1062017189 /nfs/dbraw/zinc/01/71/89/1062017189.db2.gz JDHBLIBIQKTRAR-PMACEKPBSA-N 1 0 455.607 2.879 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CC1 ZINC001287043922 1062017436 /nfs/dbraw/zinc/01/74/36/1062017436.db2.gz BGZOZHUPHNRRJG-IBGZPJMESA-N 1 0 467.680 2.840 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)C1 ZINC001294467847 1062017816 /nfs/dbraw/zinc/01/78/16/1062017816.db2.gz JYROISXTIKJCDN-BBTUJRGHSA-N 1 0 455.694 2.634 20 0 JFADRO CC(C)(C)OC(=O)N1CCc2c(CC(=O)N3CCN(CC[NH+]4CCCC4)CC3)cccc2C1 ZINC001290288072 1062018664 /nfs/dbraw/zinc/01/86/64/1062018664.db2.gz DQYGAGBUHZMNMY-UHFFFAOYSA-N 1 0 456.631 2.762 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)C1 ZINC001294469601 1062022527 /nfs/dbraw/zinc/02/25/27/1062022527.db2.gz CCISUUPYRYGMSW-CPJSRVTESA-N 1 0 454.619 2.812 20 0 JFADRO 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CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001294659164 1062207087 /nfs/dbraw/zinc/20/70/87/1062207087.db2.gz UGYKKAGYIYQSAB-SLFFLAALSA-N 1 0 462.639 2.960 20 0 JFADRO Cc1nc(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001290440474 1062208940 /nfs/dbraw/zinc/20/89/40/1062208940.db2.gz CFMOXMJGRBAWRQ-XQBPLPMBSA-N 1 0 492.690 2.763 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001294659847 1062208960 /nfs/dbraw/zinc/20/89/60/1062208960.db2.gz YPGFSHPSUKOXHB-IRLDBZIGSA-N 1 0 460.667 2.987 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC001294659849 1062209078 /nfs/dbraw/zinc/20/90/78/1062209078.db2.gz YPGFSHPSUKOXHB-UNMCSNQZSA-N 1 0 460.667 2.987 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC(N(CC)S(C)(=O)=O)CC2)CC1 ZINC001294660900 1062210487 /nfs/dbraw/zinc/21/04/87/1062210487.db2.gz GVUKUIVPVCJBMU-UHFFFAOYSA-N 1 0 468.712 2.849 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOC(C)(C)C3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287073268 1062211498 /nfs/dbraw/zinc/21/14/98/1062211498.db2.gz BRULKTOIYXNSHW-HSALFYBXSA-N 1 0 492.665 2.511 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(F)cc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001294661533 1062212225 /nfs/dbraw/zinc/21/22/25/1062212225.db2.gz QEDSFLGZUYVPNO-FQEVSTJZSA-N 1 0 492.665 2.600 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001294661421 1062212262 /nfs/dbraw/zinc/21/22/62/1062212262.db2.gz NFOQSPHEMTYNHS-OAQYLSRUSA-N 1 0 466.696 2.603 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)C1 ZINC001294661677 1062213033 /nfs/dbraw/zinc/21/30/33/1062213033.db2.gz SZHOJVUQUXYUAQ-SFHLNBCPSA-N 1 0 476.021 2.614 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(NC(=O)C(C)C)CC2)C1 ZINC001294663772 1062215618 /nfs/dbraw/zinc/21/56/18/1062215618.db2.gz SIDNILSIKZAIRT-NRFANRHFSA-N 1 0 453.635 2.737 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001294663815 1062216697 /nfs/dbraw/zinc/21/66/97/1062216697.db2.gz SYTFPNJXGRBHRA-MOPGFXCFSA-N 1 0 462.664 2.644 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001294666147 1062218860 /nfs/dbraw/zinc/21/88/60/1062218860.db2.gz ALEYGXPHIAKPNE-NRFANRHFSA-N 1 0 491.036 2.584 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667397 1062222555 /nfs/dbraw/zinc/22/25/55/1062222555.db2.gz ZPGDKGGYULRHOG-PMACEKPBSA-N 1 0 491.658 2.611 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001294668805 1062223892 /nfs/dbraw/zinc/22/38/92/1062223892.db2.gz DEJPMMDXGPPYHE-CJFMBICVSA-N 1 0 492.665 2.719 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001294669923 1062226276 /nfs/dbraw/zinc/22/62/76/1062226276.db2.gz OAOAFLIUYIBDEX-FQEVSTJZSA-N 1 0 475.659 2.645 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670374 1062228220 /nfs/dbraw/zinc/22/82/20/1062228220.db2.gz QZAGNPFDPHWZEG-DBXWQHBBSA-N 1 0 476.647 2.706 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001294670375 1062228268 /nfs/dbraw/zinc/22/82/68/1062228268.db2.gz QZAGNPFDPHWZEG-LVCYWYKZSA-N 1 0 476.647 2.706 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS(=O)CC2)CC1 ZINC001294670992 1062229155 /nfs/dbraw/zinc/22/91/55/1062229155.db2.gz VAJCISFHRGLYBQ-WOJBJXKFSA-N 1 0 451.681 2.887 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@H](NC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001294671408 1062229183 /nfs/dbraw/zinc/22/91/83/1062229183.db2.gz WWRQEJKNVHZSNY-RDGATRHJSA-N 1 0 476.666 2.546 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001294671384 1062229333 /nfs/dbraw/zinc/22/93/33/1062229333.db2.gz WDQLKUISCRYHFG-OAQYLSRUSA-N 1 0 464.618 2.607 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(=O)(=O)CC)C1 ZINC001294671498 1062230598 /nfs/dbraw/zinc/23/05/98/1062230598.db2.gz XOBAXIILSXFGRG-VAMGGRTRSA-N 1 0 469.696 2.800 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 ZINC001294674451 1062233771 /nfs/dbraw/zinc/23/37/71/1062233771.db2.gz HUGMVWKAAWSCQU-UHFFFAOYSA-N 1 0 461.010 2.697 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)c2)CC1 ZINC001294674986 1062234855 /nfs/dbraw/zinc/23/48/55/1062234855.db2.gz PYDIYTUYMBIJIU-UHFFFAOYSA-N 1 0 465.606 2.602 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294674961 1062235169 /nfs/dbraw/zinc/23/51/69/1062235169.db2.gz PHNMISYPBDKNBT-VAMGGRTRSA-N 1 0 478.638 2.591 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001294675101 1062235791 /nfs/dbraw/zinc/23/57/91/1062235791.db2.gz QHMJSAVAWFECQG-GMAHTHKFSA-N 1 0 476.666 2.571 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001294677791 1062238960 /nfs/dbraw/zinc/23/89/60/1062238960.db2.gz OFPYCKIKRGWEJF-UHFFFAOYSA-N 1 0 494.648 2.536 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001294683101 1062241865 /nfs/dbraw/zinc/24/18/65/1062241865.db2.gz LGWDNFMVTDTQSR-FQEVSTJZSA-N 1 0 475.659 2.739 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)CC1 ZINC001294682973 1062241898 /nfs/dbraw/zinc/24/18/98/1062241898.db2.gz DFTCVUMPPVMQHD-IBGZPJMESA-N 1 0 456.591 2.605 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCNC(=O)C(C)C)CC1 ZINC001294683539 1062243023 /nfs/dbraw/zinc/24/30/23/1062243023.db2.gz IJWRUTXQIDPPGL-UHFFFAOYSA-N 1 0 480.617 2.677 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(NC(=O)OC)c2)CC1 ZINC001294683945 1062243484 /nfs/dbraw/zinc/24/34/84/1062243484.db2.gz MTPDPFBYWDPPSQ-HXUWFJFHSA-N 1 0 469.590 2.766 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(=O)NC)CC1 ZINC001294684850 1062245336 /nfs/dbraw/zinc/24/53/36/1062245336.db2.gz WZZHCNJHOBTDJH-UHFFFAOYSA-N 1 0 491.681 2.839 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N2CCOCC2)CC1 ZINC001294692161 1062251567 /nfs/dbraw/zinc/25/15/67/1062251567.db2.gz HNDZGIOLLDZGPR-UHFFFAOYSA-N 1 0 484.645 2.643 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001294692377 1062252273 /nfs/dbraw/zinc/25/22/73/1062252273.db2.gz ARVQTCNRGFEJPB-SFTDATJTSA-N 1 0 482.633 2.542 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001294693635 1062253024 /nfs/dbraw/zinc/25/30/24/1062253024.db2.gz OWYXBDJEJFJXSL-HXUWFJFHSA-N 1 0 468.650 2.705 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001294695341 1062256043 /nfs/dbraw/zinc/25/60/43/1062256043.db2.gz ZYYPLBMVPPVKNR-OAQYLSRUSA-N 1 0 467.618 2.514 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294697590 1062259345 /nfs/dbraw/zinc/25/93/45/1062259345.db2.gz HZWUOXVCMHKCQL-GMAHTHKFSA-N 1 0 496.704 2.950 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294697591 1062259380 /nfs/dbraw/zinc/25/93/80/1062259380.db2.gz UVDQZOJAROBPNK-FUHWJXTLSA-N 1 0 492.466 2.978 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001294698461 1062260794 /nfs/dbraw/zinc/26/07/94/1062260794.db2.gz JJZSDYKWPVKVMQ-FQEVSTJZSA-N 1 0 470.618 2.929 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001294698470 1062260839 /nfs/dbraw/zinc/26/08/39/1062260839.db2.gz XRIWXOZUYTUFOI-HMXCVIKNSA-N 1 0 482.695 2.548 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001294705597 1062269083 /nfs/dbraw/zinc/26/90/83/1062269083.db2.gz BWNGYOSQGJGDNI-YPAWHYETSA-N 1 0 496.722 2.748 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001294705596 1062269123 /nfs/dbraw/zinc/26/91/23/1062269123.db2.gz BWNGYOSQGJGDNI-VSKRKVRLSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)(Cn1c(-c2ccccc2Cl)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001287088061 1062269861 /nfs/dbraw/zinc/26/98/61/1062269861.db2.gz MHPMUFVXLDHEOU-UHFFFAOYSA-N 1 0 481.066 2.945 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294706775 1062271092 /nfs/dbraw/zinc/27/10/92/1062271092.db2.gz DNJKEABOOKJADO-MQSCRBSSSA-N 1 0 485.629 2.790 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294706774 1062271289 /nfs/dbraw/zinc/27/12/89/1062271289.db2.gz DNJKEABOOKJADO-FUPPJEDESA-N 1 0 485.629 2.790 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294707722 1062271722 /nfs/dbraw/zinc/27/17/22/1062271722.db2.gz AIOBDAOTUODWEQ-OALUTQOASA-N 1 0 458.582 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 ZINC001294707703 1062272003 /nfs/dbraw/zinc/27/20/03/1062272003.db2.gz FUUIBGZXPKXSSU-SFHVURJKSA-N 1 0 491.434 2.820 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294708108 1062273763 /nfs/dbraw/zinc/27/37/63/1062273763.db2.gz CIDWYPWQDHQBFF-SVFBPWRDSA-N 1 0 489.592 2.621 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001294710101 1062278482 /nfs/dbraw/zinc/27/84/82/1062278482.db2.gz OAXHFYFGVKFDLO-IRFCIJBXSA-N 1 0 462.664 2.786 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294710999 1062279516 /nfs/dbraw/zinc/27/95/16/1062279516.db2.gz OWBCTMYQGLVUAJ-ROUUACIJSA-N 1 0 456.557 3.000 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713129 1062283400 /nfs/dbraw/zinc/28/34/00/1062283400.db2.gz TYYZGJYNWYPDKH-RTBURBONSA-N 1 0 459.639 2.607 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713128 1062283495 /nfs/dbraw/zinc/28/34/95/1062283495.db2.gz TYYZGJYNWYPDKH-RBUKOAKNSA-N 1 0 459.639 2.607 20 0 JFADRO CCCN1CCCN(c2nnc(C(=O)N3CCCC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1=O ZINC001294713535 1062286919 /nfs/dbraw/zinc/28/69/19/1062286919.db2.gz XNKHGUMPWPKHCI-UHFFFAOYSA-N 1 0 487.693 2.721 20 0 JFADRO CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001287094063 1062293906 /nfs/dbraw/zinc/29/39/06/1062293906.db2.gz HGLVBIKCSCCASS-HXUWFJFHSA-N 1 0 463.623 2.753 20 0 JFADRO CC(C)(Cn1c([C@@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1)[NH+]1CCCCC1 ZINC001287094302 1062294262 /nfs/dbraw/zinc/29/42/62/1062294262.db2.gz NXZXXEJTULVSMF-IBGZPJMESA-N 1 0 453.653 2.798 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001294720123 1062294350 /nfs/dbraw/zinc/29/43/50/1062294350.db2.gz IKZHYECSHWWOLW-QFQXNSOFSA-N 1 0 490.693 2.888 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1=O ZINC001294720121 1062294500 /nfs/dbraw/zinc/29/45/00/1062294500.db2.gz IKZHYECSHWWOLW-HFZDXXHNSA-N 1 0 490.693 2.888 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([NH+](C)C)CCC2)CC1=O ZINC001294724524 1062304718 /nfs/dbraw/zinc/30/47/18/1062304718.db2.gz HJXUHEPPXBYOFY-UHFFFAOYSA-N 1 0 470.618 2.895 20 0 JFADRO CC(C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001287099296 1062307214 /nfs/dbraw/zinc/30/72/14/1062307214.db2.gz WSMXSGJRWGKMRE-IBGZPJMESA-N 1 0 455.607 2.789 20 0 JFADRO Cc1nccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001290508924 1062307573 /nfs/dbraw/zinc/30/75/73/1062307573.db2.gz XEDAQCFTNBGZRI-UHFFFAOYSA-N 1 0 456.639 2.696 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001294725099 1062307818 /nfs/dbraw/zinc/30/78/18/1062307818.db2.gz RQVKYFKXUYQVBA-KDURUIRLSA-N 1 0 490.052 2.942 20 0 JFADRO CC(C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001287101581 1062311629 /nfs/dbraw/zinc/31/16/29/1062311629.db2.gz FRSQGPWJOPGHFJ-CEXWTWQISA-N 1 0 462.639 2.884 20 0 JFADRO CC(C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001287101583 1062312042 /nfs/dbraw/zinc/31/20/42/1062312042.db2.gz FSCLCAWFIKADIM-CALCHBBNSA-N 1 0 450.628 2.740 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1=O ZINC001294733415 1062315003 /nfs/dbraw/zinc/31/50/03/1062315003.db2.gz BYRMDUUBTYJHTR-OAQYLSRUSA-N 1 0 486.636 2.958 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCC[NH+](C)C)CC1 ZINC001287108524 1062319119 /nfs/dbraw/zinc/31/91/19/1062319119.db2.gz AHOBXUULUYSFQI-UHFFFAOYSA-N 1 0 463.026 2.871 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001287109138 1062321540 /nfs/dbraw/zinc/32/15/40/1062321540.db2.gz HCRQRSIVFOAJBZ-UNMCSNQZSA-N 1 0 472.609 2.919 20 0 JFADRO 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CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 ZINC001294754546 1062344510 /nfs/dbraw/zinc/34/45/10/1062344510.db2.gz FSYXIMCVALKDJK-PMACEKPBSA-N 1 0 482.695 2.502 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)OC)CC1 ZINC001294755568 1062345250 /nfs/dbraw/zinc/34/52/50/1062345250.db2.gz PDSQGDBXWCBYST-KRWDZBQOSA-N 1 0 462.545 2.910 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC001294757102 1062346494 /nfs/dbraw/zinc/34/64/94/1062346494.db2.gz JENWXFHQYCQISV-ZWKOTPCHSA-N 1 0 472.556 2.823 20 0 JFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)c(I)c3)cn2)CC1 ZINC001290547584 1062348305 /nfs/dbraw/zinc/34/83/05/1062348305.db2.gz BCAYTZDVPZYEEC-UHFFFAOYSA-N 1 0 454.287 2.507 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001294758574 1062348558 /nfs/dbraw/zinc/34/85/58/1062348558.db2.gz YKOUGECHPPTUAF-NRFANRHFSA-N 1 0 469.634 2.626 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)CC1 ZINC001294759343 1062349381 /nfs/dbraw/zinc/34/93/81/1062349381.db2.gz CBLJATSSIJPPMZ-SFHVURJKSA-N 1 0 491.434 2.820 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290547973 1062349281 /nfs/dbraw/zinc/34/92/81/1062349281.db2.gz PYGYXDIIKURCFX-LEWJYISDSA-N 1 0 468.581 2.658 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287117565 1062352125 /nfs/dbraw/zinc/35/21/25/1062352125.db2.gz WBKKCGWNWHOHDS-DEOSSOPVSA-N 1 0 492.640 2.889 20 0 JFADRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)CC)n2C[C@@]2(O)CC[N@H+](C)C2)c2ccccc2c1=O ZINC001294765898 1062357223 /nfs/dbraw/zinc/35/72/23/1062357223.db2.gz ZHUCXTBQDILRAA-AVRWGWEMSA-N 1 0 467.618 2.614 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1 ZINC001287119385 1062358895 /nfs/dbraw/zinc/35/88/95/1062358895.db2.gz JMBQXAVCTPZOMJ-VNTMZGSJSA-N 1 0 491.681 2.740 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C1 ZINC001287119384 1062359028 /nfs/dbraw/zinc/35/90/28/1062359028.db2.gz JMBQXAVCTPZOMJ-LWYYNNOASA-N 1 0 491.681 2.740 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CCOC)n2CC[N@@H+]2CCC[C@@H]2C)c2ccccc2c1=O ZINC001294766800 1062360162 /nfs/dbraw/zinc/36/01/62/1062360162.db2.gz UAKOKBUKEFXGBL-SFHVURJKSA-N 1 0 453.591 2.632 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001287119674 1062360310 /nfs/dbraw/zinc/36/03/10/1062360310.db2.gz BTEKNDPTEVWZCF-JOCHJYFZSA-N 1 0 470.666 2.930 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001287120193 1062362273 /nfs/dbraw/zinc/36/22/73/1062362273.db2.gz MZVBQPDZHYGRAY-HXUWFJFHSA-N 1 0 496.660 2.931 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001290562475 1062363795 /nfs/dbraw/zinc/36/37/95/1062363795.db2.gz BLVIUMQBNZIBHM-OAQYLSRUSA-N 1 0 454.623 2.970 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001294770399 1062368104 /nfs/dbraw/zinc/36/81/04/1062368104.db2.gz FTHXHNWUFSUTBK-RBUKOAKNSA-N 1 0 469.634 2.523 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001294770397 1062368235 /nfs/dbraw/zinc/36/82/35/1062368235.db2.gz FTHXHNWUFSUTBK-MOPGFXCFSA-N 1 0 469.634 2.523 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001287122306 1062371991 /nfs/dbraw/zinc/37/19/91/1062371991.db2.gz PNDKIHRRBPFDNS-HSZRJFAPSA-N 1 0 484.645 2.859 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](C)[NH+](C)C)C1 ZINC001287122891 1062374956 /nfs/dbraw/zinc/37/49/56/1062374956.db2.gz HXCLEKUFIJCHQJ-ZWKOTPCHSA-N 1 0 456.591 2.613 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001290578162 1062383983 /nfs/dbraw/zinc/38/39/83/1062383983.db2.gz NRPFFDZOYVMEPD-YADHBBJMSA-N 1 0 485.681 2.834 20 0 JFADRO Cc1cc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)n1 ZINC001290582343 1062389021 /nfs/dbraw/zinc/38/90/21/1062389021.db2.gz ULDVBMAHYYAZIJ-NRFANRHFSA-N 1 0 456.639 2.803 20 0 JFADRO CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001287126758 1062393728 /nfs/dbraw/zinc/39/37/28/1062393728.db2.gz HBXIULLQKBMIGB-IBGZPJMESA-N 1 0 458.582 2.548 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@@H+]3CCCO)C2)n1 ZINC001290585299 1062393767 /nfs/dbraw/zinc/39/37/67/1062393767.db2.gz UOODEOZGGGOKGE-RTWAWAEBSA-N 1 0 458.655 2.763 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCC[N@@H+]3CCCO)C2)n1 ZINC001290585298 1062393811 /nfs/dbraw/zinc/39/38/11/1062393811.db2.gz UOODEOZGGGOKGE-NHCUHLMSSA-N 1 0 458.655 2.763 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001294789058 1062395716 /nfs/dbraw/zinc/39/57/16/1062395716.db2.gz ABGLJOAUMPSGSN-GOTSBHOMSA-N 1 0 495.672 2.630 20 0 JFADRO CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001287128014 1062398075 /nfs/dbraw/zinc/39/80/75/1062398075.db2.gz LWAVZCWBFSGZRI-NRFANRHFSA-N 1 0 472.609 2.796 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCSCC2)C1 ZINC001294790624 1062403200 /nfs/dbraw/zinc/40/32/00/1062403200.db2.gz JGIOJARTHQECNA-LJQANCHMSA-N 1 0 472.659 2.745 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294790552 1062403246 /nfs/dbraw/zinc/40/32/46/1062403246.db2.gz RCULLYDGRPQITP-SFTDATJTSA-N 1 0 472.634 2.946 20 0 JFADRO COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC001290595608 1062417263 /nfs/dbraw/zinc/41/72/63/1062417263.db2.gz BMKJBXIZUZSEHK-UHFFFAOYSA-N 1 0 450.583 2.934 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccccc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290597718 1062419453 /nfs/dbraw/zinc/41/94/53/1062419453.db2.gz HUEZUDKYHQHXCA-HSZRJFAPSA-N 1 0 478.645 2.719 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cscn3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001290599884 1062431328 /nfs/dbraw/zinc/43/13/28/1062431328.db2.gz OBMCCYQCJDURSN-UHFFFAOYSA-N 1 0 471.679 2.506 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287132682 1062434685 /nfs/dbraw/zinc/43/46/85/1062434685.db2.gz MZMPQGYDNFEILS-VWLOTQADSA-N 1 0 496.685 2.777 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001294799478 1062439797 /nfs/dbraw/zinc/43/97/97/1062439797.db2.gz GEXWJMPUIPDZGJ-FSSWDIPSSA-N 1 0 454.619 2.828 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605648 1062441855 /nfs/dbraw/zinc/44/18/55/1062441855.db2.gz LELOMSLYRWFFHO-HSZRJFAPSA-N 1 0 486.709 2.807 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001294801467 1062443023 /nfs/dbraw/zinc/44/30/23/1062443023.db2.gz BTXCINTVICOPOI-LEWJYISDSA-N 1 0 465.602 2.902 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001287133672 1062443623 /nfs/dbraw/zinc/44/36/23/1062443623.db2.gz VGBIVGLXSVNYLO-UHFFFAOYSA-N 1 0 476.629 2.784 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(C2CC2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001287133863 1062446663 /nfs/dbraw/zinc/44/66/63/1062446663.db2.gz VZKSDZQEBFVRFS-HXUWFJFHSA-N 1 0 453.635 2.575 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001294802676 1062447108 /nfs/dbraw/zinc/44/71/08/1062447108.db2.gz GVRSISNFSYJDHG-IFMALSPDSA-N 1 0 453.635 2.738 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCCCO3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290607150 1062449520 /nfs/dbraw/zinc/44/95/20/1062449520.db2.gz MOUNTZUBSZXPDG-BHIFYINESA-N 1 0 459.639 2.644 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(Cc2ccsc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287134297 1062449758 /nfs/dbraw/zinc/44/97/58/1062449758.db2.gz QWOPFENCHHSRFJ-NRFANRHFSA-N 1 0 450.678 2.576 20 0 JFADRO CC(C)C(=O)NCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001287135400 1062458637 /nfs/dbraw/zinc/45/86/37/1062458637.db2.gz NDEWUHBHBZXPLA-SFHVURJKSA-N 1 0 458.582 2.861 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001294806764 1062459575 /nfs/dbraw/zinc/45/95/75/1062459575.db2.gz YCLFCATXBVWBHP-NRFANRHFSA-N 1 0 453.635 2.881 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CC=CCC2)C1 ZINC001294806604 1062459664 /nfs/dbraw/zinc/45/96/64/1062459664.db2.gz WVUFHGQYGNHBLI-JOCHJYFZSA-N 1 0 466.630 2.882 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001294810085 1062467160 /nfs/dbraw/zinc/46/71/60/1062467160.db2.gz BTEFPZDJLVLLQG-SFHVURJKSA-N 1 0 475.663 2.523 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001294810070 1062467207 /nfs/dbraw/zinc/46/72/07/1062467207.db2.gz BKFNKMBANYPNFJ-WOJBJXKFSA-N 1 0 489.709 2.915 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290618153 1062473741 /nfs/dbraw/zinc/47/37/41/1062473741.db2.gz SWRPQXNVDSJCSX-ACRUOGEOSA-N 1 0 459.639 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290618154 1062473824 /nfs/dbraw/zinc/47/38/24/1062473824.db2.gz SWRPQXNVDSJCSX-PCCBWWKXSA-N 1 0 459.639 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001290618334 1062474737 /nfs/dbraw/zinc/47/47/37/1062474737.db2.gz SOACMLXZHAIDAT-SFTDATJTSA-N 1 0 467.618 2.742 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287137115 1062476013 /nfs/dbraw/zinc/47/60/13/1062476013.db2.gz UDTKEMQKINIQBQ-KRWDZBQOSA-N 1 0 479.000 2.668 20 0 JFADRO CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001287137323 1062477834 /nfs/dbraw/zinc/47/78/34/1062477834.db2.gz APUUKVBNMLBIBI-QHCPKHFHSA-N 1 0 468.646 2.903 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001294811803 1062480153 /nfs/dbraw/zinc/48/01/53/1062480153.db2.gz PSYFMLJEHDGRCK-HXUWFJFHSA-N 1 0 496.660 2.788 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(c4nccs4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001290624144 1062488027 /nfs/dbraw/zinc/48/80/27/1062488027.db2.gz JJDMIJBGUKMOEM-UHFFFAOYSA-N 1 0 458.636 2.558 20 0 JFADRO CC(C)C(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@H]1C ZINC001287139487 1062488982 /nfs/dbraw/zinc/48/89/82/1062488982.db2.gz NYZGZXVJSFVVIL-FGZHOGPDSA-N 1 0 467.662 2.650 20 0 JFADRO CC(C)C(=O)NCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001287139491 1062490302 /nfs/dbraw/zinc/49/03/02/1062490302.db2.gz NYZGZXVJSFVVIL-YADHBBJMSA-N 1 0 467.662 2.650 20 0 JFADRO CC(C)C(=O)NCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001287139635 1062490325 /nfs/dbraw/zinc/49/03/25/1062490325.db2.gz DPHNDFQDPHXPEN-HSZRJFAPSA-N 1 0 461.614 2.747 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001287142731 1062505135 /nfs/dbraw/zinc/50/51/35/1062505135.db2.gz NKRJZFHYYJWMRN-OAQYLSRUSA-N 1 0 496.722 2.748 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001290632041 1062508406 /nfs/dbraw/zinc/50/84/06/1062508406.db2.gz TVTIPAFCPVIDFR-QHCPKHFHSA-N 1 0 461.680 2.971 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC4(CCN(C)C4=O)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001290632097 1062509015 /nfs/dbraw/zinc/50/90/15/1062509015.db2.gz VJTGJPDWUJYXKW-OAQYLSRUSA-N 1 0 470.666 2.565 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290632770 1062510535 /nfs/dbraw/zinc/51/05/35/1062510535.db2.gz KVSVESLJECUQHX-UNMCSNQZSA-N 1 0 470.666 2.611 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCCC[NH+]2CCCCC2)n1 ZINC001290636044 1062517538 /nfs/dbraw/zinc/51/75/38/1062517538.db2.gz RQEDCBFBYIBSEG-JOCHJYFZSA-N 1 0 491.706 2.809 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](c2cccs2)[NH+](C)C)n1 ZINC001290636170 1062518211 /nfs/dbraw/zinc/51/82/11/1062518211.db2.gz UKZWWWPYKOSVTH-OALUTQOASA-N 1 0 470.647 2.596 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001287151402 1062522873 /nfs/dbraw/zinc/52/28/73/1062522873.db2.gz ARHGTMAVCGTXLV-FQEVSTJZSA-N 1 0 451.619 2.979 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001287151367 1062523114 /nfs/dbraw/zinc/52/31/14/1062523114.db2.gz ABSCFXTWXWZOPD-NNWRFLSQSA-N 1 0 487.693 2.727 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCC(=O)NC(C)(C)C)n1 ZINC001290639659 1062524113 /nfs/dbraw/zinc/52/41/13/1062524113.db2.gz LKXKDFZFCDCGTN-UHFFFAOYSA-N 1 0 458.655 2.755 20 0 JFADRO CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001294837270 1062527333 /nfs/dbraw/zinc/52/73/33/1062527333.db2.gz CXQLPHMZGCJYLE-UHFFFAOYSA-N 1 0 496.660 2.934 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001287153085 1062529597 /nfs/dbraw/zinc/52/95/97/1062529597.db2.gz MBSWJROGYCZVAU-BVZFJXPGSA-N 1 0 472.609 2.528 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001290641434 1062529802 /nfs/dbraw/zinc/52/98/02/1062529802.db2.gz PORHVYIVRJQJCB-UHFFFAOYSA-N 1 0 499.708 2.892 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001287153147 1062530233 /nfs/dbraw/zinc/53/02/33/1062530233.db2.gz MYDKJZNTORFCRY-PMOQBDJRSA-N 1 0 495.672 2.909 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001287153498 1062531811 /nfs/dbraw/zinc/53/18/11/1062531811.db2.gz PNAZGNPYDLSPSP-GHTZIAJQSA-N 1 0 496.660 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2C[C@H](C)C[NH+]2CCCCC2)n1 ZINC001290645677 1062536091 /nfs/dbraw/zinc/53/60/91/1062536091.db2.gz KVWSOPGFACYBIB-OFNKIYASSA-N 1 0 484.693 2.955 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)[NH+]1CCOCC1 ZINC001287155277 1062538054 /nfs/dbraw/zinc/53/80/54/1062538054.db2.gz GNMYEPOJKAQYTO-HSZRJFAPSA-N 1 0 483.661 2.780 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001290646595 1062538150 /nfs/dbraw/zinc/53/81/50/1062538150.db2.gz RCQSTUNWASQMDC-RUZDIDTESA-N 1 0 473.666 2.628 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001294846858 1062544051 /nfs/dbraw/zinc/54/40/51/1062544051.db2.gz WHTPLHKLYCEFRE-HXUWFJFHSA-N 1 0 470.618 2.943 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCSCC2)CC1 ZINC001287156842 1062544743 /nfs/dbraw/zinc/54/47/43/1062544743.db2.gz QINUGWRXXLTBBF-FQEVSTJZSA-N 1 0 485.702 2.690 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001287156851 1062545362 /nfs/dbraw/zinc/54/53/62/1062545362.db2.gz QNXMEHHSURVNJU-QZTJIDSGSA-N 1 0 489.690 2.597 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001290648835 1062545455 /nfs/dbraw/zinc/54/54/55/1062545455.db2.gz WZASGDCZRBEHRU-UHFFFAOYSA-N 1 0 486.709 2.809 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001294847687 1062546697 /nfs/dbraw/zinc/54/66/97/1062546697.db2.gz WNAKTHZCTWQYPI-ZWKOTPCHSA-N 1 0 456.591 2.552 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001287158717 1062552847 /nfs/dbraw/zinc/55/28/47/1062552847.db2.gz UVCKQRSWCXTADL-VQIMIIECSA-N 1 0 492.466 2.833 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@H](C(F)(F)F)C3)n2CCC[NH+]2CCC(O)CC2)n1 ZINC001290653865 1062552882 /nfs/dbraw/zinc/55/28/82/1062552882.db2.gz WPKDMSCGEYEKSJ-DNVCBOLYSA-N 1 0 469.556 2.621 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158715 1062553118 /nfs/dbraw/zinc/55/31/18/1062553118.db2.gz UVCKQRSWCXTADL-LPHOPBHVSA-N 1 0 492.466 2.833 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCOC4(C3)CCCCCC4)n2CCOCC[NH+](C)C)n1 ZINC001290654385 1062554005 /nfs/dbraw/zinc/55/40/05/1062554005.db2.gz QDBXGVRFSVLICO-UHFFFAOYSA-N 1 0 459.639 2.648 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001290654683 1062554501 /nfs/dbraw/zinc/55/45/01/1062554501.db2.gz RUIUDDSCTGRVSO-PWRODBHTSA-N 1 0 461.680 2.707 20 0 JFADRO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001287159292 1062555487 /nfs/dbraw/zinc/55/54/87/1062555487.db2.gz YLVNKUMCDKAMQV-LJQANCHMSA-N 1 0 485.599 2.709 20 0 JFADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+]1CCCC1 ZINC001287160366 1062559349 /nfs/dbraw/zinc/55/93/49/1062559349.db2.gz RBXCORZDLHJUEL-PZJWPPBQSA-N 1 0 473.666 2.754 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCCC1 ZINC001287160499 1062559991 /nfs/dbraw/zinc/55/99/91/1062559991.db2.gz FVILNOMFOXCCOQ-SBCKZULCSA-N 1 0 472.659 2.723 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCOCC1 ZINC001287160894 1062561235 /nfs/dbraw/zinc/56/12/35/1062561235.db2.gz HHOVEFQVPAOJON-NRFANRHFSA-N 1 0 469.565 2.746 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CCO2)n1 ZINC001290659687 1062564060 /nfs/dbraw/zinc/56/40/60/1062564060.db2.gz HPASAWJIRYIIGA-TZIWHRDSSA-N 1 0 455.582 2.677 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@H]3CO)CCO2)n1 ZINC001290660735 1062567432 /nfs/dbraw/zinc/56/74/32/1062567432.db2.gz OCMHRCDWTYHGIY-VXKWHMMOSA-N 1 0 473.666 2.531 20 0 JFADRO CCCNC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001294861126 1062567668 /nfs/dbraw/zinc/56/76/68/1062567668.db2.gz XYPUUSHXGLFLML-UHFFFAOYSA-N 1 0 461.614 2.811 20 0 JFADRO CCCNC(=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCSC(C)(C)C1 ZINC001294863746 1062571355 /nfs/dbraw/zinc/57/13/55/1062571355.db2.gz OBRROAOGVYIZQL-UHFFFAOYSA-N 1 0 499.729 2.891 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001287164842 1062575142 /nfs/dbraw/zinc/57/51/42/1062575142.db2.gz YNNUAZGQEKAWDN-PMACEKPBSA-N 1 0 472.638 2.902 20 0 JFADRO CCCNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001294871318 1062577635 /nfs/dbraw/zinc/57/76/35/1062577635.db2.gz USQWDTRMMSCQBU-UHFFFAOYSA-N 1 0 487.674 2.641 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001287166484 1062577918 /nfs/dbraw/zinc/57/79/18/1062577918.db2.gz IVGWLGRFKWNLPV-PMACEKPBSA-N 1 0 490.674 2.765 20 0 JFADRO Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC001290667845 1062578575 /nfs/dbraw/zinc/57/85/75/1062578575.db2.gz RXUCJCDRUOTTLP-XMMPIXPASA-N 1 0 486.709 2.611 20 0 JFADRO CC(C)c1nc([C@@H]2CN(c3nnc(-c4cccn4C)n3CC(C)(C)C[NH+](C)C)CCO2)no1 ZINC001287170980 1062587624 /nfs/dbraw/zinc/58/76/24/1062587624.db2.gz VLDUVGAWVISSKA-SFHVURJKSA-N 1 0 456.595 2.956 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc(-c3cccn3C)n2CCC[NH+]2CCC(O)CC2)cn1 ZINC001287171057 1062588261 /nfs/dbraw/zinc/58/82/61/1062588261.db2.gz OMOWPGJWTGTRNK-UHFFFAOYSA-N 1 0 452.607 2.680 20 0 JFADRO CC(C)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287177263 1062601288 /nfs/dbraw/zinc/60/12/88/1062601288.db2.gz WYRYBCAIGSHPJS-ICSRJNTNSA-N 1 0 463.648 2.849 20 0 JFADRO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001287180061 1062605429 /nfs/dbraw/zinc/60/54/29/1062605429.db2.gz VAMBUCZMKNTRTB-HXUWFJFHSA-N 1 0 454.685 2.772 20 0 JFADRO CC(C)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287181732 1062607702 /nfs/dbraw/zinc/60/77/02/1062607702.db2.gz VALAFKSDIRIRBL-FQEVSTJZSA-N 1 0 480.617 2.629 20 0 JFADRO CC(C)c1nnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CCC(=O)N1CCOCC1 ZINC001287183047 1062608820 /nfs/dbraw/zinc/60/88/20/1062608820.db2.gz PTECLYNSZQPVCL-QFIPXVFZSA-N 1 0 454.619 2.609 20 0 JFADRO CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187537 1062613408 /nfs/dbraw/zinc/61/34/08/1062613408.db2.gz XOMLQZYMPQTIRB-WOJBJXKFSA-N 1 0 491.681 2.886 20 0 JFADRO CC(C)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187536 1062613525 /nfs/dbraw/zinc/61/35/25/1062613525.db2.gz XOMLQZYMPQTIRB-VQTJNVASSA-N 1 0 491.681 2.886 20 0 JFADRO CCCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001294899045 1062633125 /nfs/dbraw/zinc/63/31/25/1062633125.db2.gz PYHWLRCVKYMUPC-UHFFFAOYSA-N 1 0 494.644 2.540 20 0 JFADRO CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294899868 1062636124 /nfs/dbraw/zinc/63/61/24/1062636124.db2.gz NFAIFSXBHQXVCC-YADHBBJMSA-N 1 0 454.619 2.799 20 0 JFADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290706836 1062640692 /nfs/dbraw/zinc/64/06/92/1062640692.db2.gz MRJDMVKEWJSVTO-HWPVKAJDSA-N 1 0 462.639 2.800 20 0 JFADRO Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001290714092 1062646332 /nfs/dbraw/zinc/64/63/32/1062646332.db2.gz UJORZGVYBWTVAW-LEWJYISDSA-N 1 0 462.664 2.515 20 0 JFADRO CC(C)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001287204652 1062649593 /nfs/dbraw/zinc/64/95/93/1062649593.db2.gz YGMIRBXJCOELOP-XMMPIXPASA-N 1 0 475.659 2.600 20 0 JFADRO CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294909979 1062653842 /nfs/dbraw/zinc/65/38/42/1062653842.db2.gz FCZZWAVGYHWTOP-HSZRJFAPSA-N 1 0 461.614 2.891 20 0 JFADRO Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001290726950 1062654373 /nfs/dbraw/zinc/65/43/73/1062654373.db2.gz BFXONXLSDOVHFE-UHFFFAOYSA-N 1 0 454.595 2.831 20 0 JFADRO Cc1nnc(N(CCO)Cc2ccc(Br)s2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290746375 1062664891 /nfs/dbraw/zinc/66/48/91/1062664891.db2.gz QWLHURJHSNQOHQ-MRXNPFEDSA-N 1 0 472.453 2.766 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001287212083 1062666023 /nfs/dbraw/zinc/66/60/23/1062666023.db2.gz MAMUCHWBXOOAAC-LJQANCHMSA-N 1 0 484.736 2.529 20 0 JFADRO Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290749673 1062667175 /nfs/dbraw/zinc/66/71/75/1062667175.db2.gz FOZKNBZIKCDVED-FXAWDEMLSA-N 1 0 458.607 2.925 20 0 JFADRO Cc1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750507 1062668322 /nfs/dbraw/zinc/66/83/22/1062668322.db2.gz ACZNIOMSHZIIHO-DVECYGJZSA-N 1 0 480.654 2.598 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287213059 1062669258 /nfs/dbraw/zinc/66/92/58/1062669258.db2.gz WMPZAGVWEIWXCV-RBUKOAKNSA-N 1 0 466.677 2.770 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287213058 1062669423 /nfs/dbraw/zinc/66/94/23/1062669423.db2.gz WMPZAGVWEIWXCV-OALUTQOASA-N 1 0 466.677 2.770 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287213839 1062672613 /nfs/dbraw/zinc/67/26/13/1062672613.db2.gz FOQXDQUVAHGUPR-HXUWFJFHSA-N 1 0 460.648 2.662 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCOc1cccc(Cl)c1 ZINC001287214203 1062676288 /nfs/dbraw/zinc/67/62/88/1062676288.db2.gz KFPOEBAGQTYVJD-FQEVSTJZSA-N 1 0 461.010 2.877 20 0 JFADRO Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001290763006 1062678318 /nfs/dbraw/zinc/67/83/18/1062678318.db2.gz OEKRRGCULJOOBN-GOSISDBHSA-N 1 0 458.567 2.735 20 0 JFADRO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1Cc1ccccc1C[N@@H+](C)C(C)C ZINC001290763040 1062678378 /nfs/dbraw/zinc/67/83/78/1062678378.db2.gz OXMMCIVHYODWPY-IBGZPJMESA-N 1 0 452.525 2.980 20 0 JFADRO Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001290763008 1062678526 /nfs/dbraw/zinc/67/85/26/1062678526.db2.gz OEOBXNUXVKWLQX-IBGZPJMESA-N 1 0 450.509 2.540 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001290769528 1062684071 /nfs/dbraw/zinc/68/40/71/1062684071.db2.gz JKILBFJWETYVSS-GOSISDBHSA-N 1 0 456.488 2.923 20 0 JFADRO Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001290783686 1062694156 /nfs/dbraw/zinc/69/41/56/1062694156.db2.gz MIARMUSSCAZCTB-GOSISDBHSA-N 1 0 450.628 2.829 20 0 JFADRO Cc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001290794228 1062700972 /nfs/dbraw/zinc/70/09/72/1062700972.db2.gz ZFFKZGLTZDSCIW-HXUWFJFHSA-N 1 0 458.607 2.926 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001287219441 1062701815 /nfs/dbraw/zinc/70/18/15/1062701815.db2.gz LHAPJRBDHNFCGR-SFHVURJKSA-N 1 0 462.639 2.958 20 0 JFADRO Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001290797566 1062702454 /nfs/dbraw/zinc/70/24/54/1062702454.db2.gz JFKXZBASAIQERM-FQEVSTJZSA-N 1 0 481.567 2.770 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001287220033 1062703460 /nfs/dbraw/zinc/70/34/60/1062703460.db2.gz RLOZPVNWBXGPEU-UHFFFAOYSA-N 1 0 473.691 2.585 20 0 JFADRO Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001290800636 1062705474 /nfs/dbraw/zinc/70/54/74/1062705474.db2.gz NMGUKDSPXOFSBD-FQEVSTJZSA-N 1 0 462.639 2.973 20 0 JFADRO CC(C)c1nnc(N2CCN(c3ccccc3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287221446 1062706552 /nfs/dbraw/zinc/70/65/52/1062706552.db2.gz UOHKHQPYEWVCNZ-QFIPXVFZSA-N 1 0 453.635 2.671 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC4(CNC(=O)C4)CC3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294932327 1062707655 /nfs/dbraw/zinc/70/76/55/1062707655.db2.gz GQFDSWSYAVNEDE-GOSISDBHSA-N 1 0 470.618 2.799 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294935083 1062712748 /nfs/dbraw/zinc/71/27/48/1062712748.db2.gz WSVIVFAPJSXCHP-QGZVFWFLSA-N 1 0 458.607 2.798 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294935660 1062713415 /nfs/dbraw/zinc/71/34/15/1062713415.db2.gz XBDORYDNUVJAFQ-NRFANRHFSA-N 1 0 451.518 2.655 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(OC)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294935887 1062713891 /nfs/dbraw/zinc/71/38/91/1062713891.db2.gz ROXUZSJEYVNJIR-RPBOFIJWSA-N 1 0 473.618 2.814 20 0 JFADRO CC(C)c1nnc(N2CCOC3(CCOCC3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001287229103 1062717036 /nfs/dbraw/zinc/71/70/36/1062717036.db2.gz VZQOSAUJHFEOTJ-UHFFFAOYSA-N 1 0 457.619 2.970 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCC[NH+]2CCCCC2)cc1OC ZINC001294938824 1062717686 /nfs/dbraw/zinc/71/76/86/1062717686.db2.gz ISMWDGZPJSROLI-UHFFFAOYSA-N 1 0 470.618 2.897 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001294939839 1062722902 /nfs/dbraw/zinc/72/29/02/1062722902.db2.gz DWDUNQVPWCQGAB-FQEVSTJZSA-N 1 0 486.661 2.994 20 0 JFADRO Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290829096 1062722872 /nfs/dbraw/zinc/72/28/72/1062722872.db2.gz QVEYQHBACGURCX-RPWUZVMVSA-N 1 0 468.646 2.866 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290829097 1062723105 /nfs/dbraw/zinc/72/31/05/1062723105.db2.gz QVEYQHBACGURCX-ZEQRLZLVSA-N 1 0 468.646 2.866 20 0 JFADRO CC(C)c1noc([C@@H](C)N2CCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](C)C(C)C)CC2)n1 ZINC001287232700 1062724430 /nfs/dbraw/zinc/72/44/30/1062724430.db2.gz WFDNUSNFKHRJKV-RTBURBONSA-N 1 0 460.627 2.859 20 0 JFADRO Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CCCCCCC[NH+]1CCCC1 ZINC001290832502 1062724704 /nfs/dbraw/zinc/72/47/04/1062724704.db2.gz NDXFQOWXOFOVNX-OAQYLSRUSA-N 1 0 452.669 2.637 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287233106 1062724981 /nfs/dbraw/zinc/72/49/81/1062724981.db2.gz YOIFSDPVZYVMSP-LJQANCHMSA-N 1 0 455.607 2.645 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287235376 1062728182 /nfs/dbraw/zinc/72/81/82/1062728182.db2.gz ZNMHDPVGQFCFFN-YPAWHYETSA-N 1 0 496.722 2.604 20 0 JFADRO O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001290841199 1062729683 /nfs/dbraw/zinc/72/96/83/1062729683.db2.gz APYBYXQNEKIGKX-UHFFFAOYSA-N 1 0 456.395 2.836 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841654 1062729949 /nfs/dbraw/zinc/72/99/49/1062729949.db2.gz QSTMOIKOKMZXQY-CTNGQTDRSA-N 1 0 452.555 2.941 20 0 JFADRO Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001290842038 1062731093 /nfs/dbraw/zinc/73/10/93/1062731093.db2.gz KJSMIRSUVSTKEI-QFIPXVFZSA-N 1 0 475.037 2.829 20 0 JFADRO Cc1nnc(N2CCCN(C(=O)OCC(C)C)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001290843186 1062731907 /nfs/dbraw/zinc/73/19/07/1062731907.db2.gz YXVZBDDUCLYWSI-UHFFFAOYSA-N 1 0 454.619 2.990 20 0 JFADRO CC(C)[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001287246682 1062732496 /nfs/dbraw/zinc/73/24/96/1062732496.db2.gz OBMWCZLIHLFNFN-VQTJNVASSA-N 1 0 482.695 2.500 20 0 JFADRO Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001290846491 1062732784 /nfs/dbraw/zinc/73/27/84/1062732784.db2.gz CPRXOYZULNSZPP-UHFFFAOYSA-N 1 0 460.648 2.752 20 0 JFADRO CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC001294947995 1062733306 /nfs/dbraw/zinc/73/33/06/1062733306.db2.gz JNMVHJITRFGGOK-UHFFFAOYSA-N 1 0 484.645 2.802 20 0 JFADRO Cc1nnc(N2CCN(C(=O)C3CCCCC3)CC2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001290850948 1062734788 /nfs/dbraw/zinc/73/47/88/1062734788.db2.gz CPFXAJFBXNELPH-UHFFFAOYSA-N 1 0 468.646 2.999 20 0 JFADRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc(I)c3N)cc2)CC1 ZINC001290851235 1062734960 /nfs/dbraw/zinc/73/49/60/1062734960.db2.gz CPIOXTRRRGYUDE-UHFFFAOYSA-N 1 0 450.324 2.873 20 0 JFADRO COCC[N@H+](C)CCCNC(=O)c1cc(I)ccc1Br ZINC001290851571 1062735521 /nfs/dbraw/zinc/73/55/21/1062735521.db2.gz HOQLRMHCDBWYAP-UHFFFAOYSA-N 1 0 455.134 2.752 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCSCC2)C1 ZINC001287252821 1062735447 /nfs/dbraw/zinc/73/54/47/1062735447.db2.gz JZRNUJKXKDZBCV-FQEVSTJZSA-N 1 0 492.715 2.727 20 0 JFADRO Cc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001290852570 1062737471 /nfs/dbraw/zinc/73/74/71/1062737471.db2.gz NCJFCPIMLOKPNG-UHFFFAOYSA-N 1 0 469.634 2.693 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 ZINC001290859875 1062744006 /nfs/dbraw/zinc/74/40/06/1062744006.db2.gz LBKUZPLBGGXPPA-AREMUKBSSA-N 1 0 450.627 2.638 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1 ZINC001290859719 1062744110 /nfs/dbraw/zinc/74/41/10/1062744110.db2.gz IHYJAIAGAJBIPC-UHFFFAOYSA-N 1 0 456.587 2.502 20 0 JFADRO Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290863092 1062747177 /nfs/dbraw/zinc/74/71/77/1062747177.db2.gz LCYUTWSZGIUQGE-OALUTQOASA-N 1 0 456.639 2.714 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290868488 1062752180 /nfs/dbraw/zinc/75/21/80/1062752180.db2.gz YVGFFDSPBJHXAC-QFIPXVFZSA-N 1 0 459.683 2.620 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001290870012 1062755133 /nfs/dbraw/zinc/75/51/33/1062755133.db2.gz OMUMNSCKLJENEH-LJQANCHMSA-N 1 0 457.598 2.608 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001290870421 1062756223 /nfs/dbraw/zinc/75/62/23/1062756223.db2.gz TXHHLINCCXJJJH-QKDPSFTKSA-N 1 0 473.710 2.914 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001290870424 1062756264 /nfs/dbraw/zinc/75/62/64/1062756264.db2.gz TXHHLINCCXJJJH-WQMHRJNTSA-N 1 0 473.710 2.914 20 0 JFADRO Cc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290872345 1062758191 /nfs/dbraw/zinc/75/81/91/1062758191.db2.gz ZFNXRXPBJRCKIS-JTHBVZDNSA-N 1 0 470.643 2.513 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1Cl ZINC001290875799 1062760551 /nfs/dbraw/zinc/76/05/51/1062760551.db2.gz GEFURLPMSZOOEI-OAQYLSRUSA-N 1 0 465.017 2.853 20 0 JFADRO CCCOc1ncccc1Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294976864 1062760684 /nfs/dbraw/zinc/76/06/84/1062760684.db2.gz DMWLWUUTZAYTSZ-CTNGQTDRSA-N 1 0 469.634 2.767 20 0 JFADRO Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001290877177 1062761720 /nfs/dbraw/zinc/76/17/20/1062761720.db2.gz SRYBYOBAFLMNBP-HXUWFJFHSA-N 1 0 471.650 2.754 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290879485 1062763588 /nfs/dbraw/zinc/76/35/88/1062763588.db2.gz RFTOPYLHSBNOSS-HSZRJFAPSA-N 1 0 474.675 2.607 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1CC[NH+]1CCSCC1 ZINC001290887154 1062765815 /nfs/dbraw/zinc/76/58/15/1062765815.db2.gz APAZZQHQUGXXJV-SFHVURJKSA-N 1 0 452.422 2.976 20 0 JFADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001290890434 1062768938 /nfs/dbraw/zinc/76/89/38/1062768938.db2.gz DEGAKBSSKBQHLX-IBGZPJMESA-N 1 0 458.603 2.614 20 0 JFADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001290890435 1062768984 /nfs/dbraw/zinc/76/89/84/1062768984.db2.gz DEGAKBSSKBQHLX-LJQANCHMSA-N 1 0 458.603 2.614 20 0 JFADRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001290894815 1062770434 /nfs/dbraw/zinc/77/04/34/1062770434.db2.gz UVBJITVBXVAWOU-HNNXBMFYSA-N 1 0 453.914 2.676 20 0 JFADRO Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290898296 1062771762 /nfs/dbraw/zinc/77/17/62/1062771762.db2.gz VOSUCGGFFUQLJT-TZIWHRDSSA-N 1 0 469.634 2.901 20 0 JFADRO Cc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290900594 1062772764 /nfs/dbraw/zinc/77/27/64/1062772764.db2.gz QFHXVWWYGJSNEZ-QHAWAJNXSA-N 1 0 462.639 2.683 20 0 JFADRO Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)CC2)n1 ZINC001290901542 1062773399 /nfs/dbraw/zinc/77/33/99/1062773399.db2.gz BSMIBPIMRWSCGU-MJGOQNOKSA-N 1 0 456.595 2.947 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001294987011 1062775135 /nfs/dbraw/zinc/77/51/35/1062775135.db2.gz MDBQKEPTXIXIDM-PCCBWWKXSA-N 1 0 464.655 2.701 20 0 JFADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001287306038 1062776818 /nfs/dbraw/zinc/77/68/18/1062776818.db2.gz IPSFEHUBDRDBEE-URVUXULASA-N 1 0 460.667 2.671 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)C2CC3(C2)C[C@@H](NC(=O)OC(C)(C)C)CCS3)CC1 ZINC001294993351 1062780622 /nfs/dbraw/zinc/78/06/22/1062780622.db2.gz NJGJLDBCUJTIJN-OTQYULQBSA-N 1 0 455.665 2.907 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2cncc(Cl)n2)CC1)[NH+](C)C ZINC001287318481 1062789221 /nfs/dbraw/zinc/78/92/21/1062789221.db2.gz BOZUUVDDQYIJEV-KRWDZBQOSA-N 1 0 493.056 2.884 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295002688 1062789843 /nfs/dbraw/zinc/78/98/43/1062789843.db2.gz QYQKGBLTTHQXBP-LEWJYISDSA-N 1 0 467.680 2.842 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001287318943 1062790266 /nfs/dbraw/zinc/79/02/66/1062790266.db2.gz GCEBKWYPBTYFOE-AZUAARDMSA-N 1 0 456.639 2.738 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001287319079 1062791372 /nfs/dbraw/zinc/79/13/72/1062791372.db2.gz HETNMGULUAWZSO-TXNPELCJSA-N 1 0 485.633 2.674 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001287319669 1062793065 /nfs/dbraw/zinc/79/30/65/1062793065.db2.gz NABSICOSNKYWGH-NRFANRHFSA-N 1 0 496.660 2.741 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3[C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]43)cc2)CC1 ZINC001290920187 1062795321 /nfs/dbraw/zinc/79/53/21/1062795321.db2.gz FJMHNNPRPGABKT-YTFSRNRJSA-N 1 0 456.631 2.943 20 0 JFADRO Cc1sc(=O)n(CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1-c1ccccc1 ZINC001290920257 1062795402 /nfs/dbraw/zinc/79/54/02/1062795402.db2.gz GKTJPWIRBMTMCI-UHFFFAOYSA-N 1 0 450.608 2.949 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC001287321407 1062797858 /nfs/dbraw/zinc/79/78/58/1062797858.db2.gz GQTOKARHHRMWSV-OYNPSCLESA-N 1 0 480.654 2.807 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOCC1)[NH+](C)C ZINC001287321361 1062797918 /nfs/dbraw/zinc/79/79/18/1062797918.db2.gz FXXKCWVSZZVFMP-LJQANCHMSA-N 1 0 450.031 2.738 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295009577 1062798045 /nfs/dbraw/zinc/79/80/45/1062798045.db2.gz XTMWMEJVLULNIX-CPJSRVTESA-N 1 0 473.618 2.718 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@H]1C)[NH+](C)C ZINC001287321469 1062798715 /nfs/dbraw/zinc/79/87/15/1062798715.db2.gz HRCFRUBJKKMBKP-YLJYHZDGSA-N 1 0 455.636 2.839 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290925060 1062800059 /nfs/dbraw/zinc/80/00/59/1062800059.db2.gz CWNLZEYPMFXIIU-MGPUTAFESA-N 1 0 493.609 2.572 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287322333 1062800203 /nfs/dbraw/zinc/80/02/03/1062800203.db2.gz OZLMBDIPSAVSAI-MOPGFXCFSA-N 1 0 496.653 2.615 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287322337 1062800252 /nfs/dbraw/zinc/80/02/52/1062800252.db2.gz OZLMBDIPSAVSAI-RBUKOAKNSA-N 1 0 496.653 2.615 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccco1)[NH+](C)C ZINC001287322487 1062800298 /nfs/dbraw/zinc/80/02/98/1062800298.db2.gz PUJFJRWAQSDJFD-KURKYZTESA-N 1 0 452.625 2.799 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001287327893 1062801631 /nfs/dbraw/zinc/80/16/31/1062801631.db2.gz CPNXKFNQMZVIPV-UXHICEINSA-N 1 0 458.655 2.786 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328560 1062802574 /nfs/dbraw/zinc/80/25/74/1062802574.db2.gz HSMIUHYGCRIQOY-FCHUYYIVSA-N 1 0 484.693 2.773 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287328509 1062802814 /nfs/dbraw/zinc/80/28/14/1062802814.db2.gz GZIRVMUFGSDFAJ-JTHBVZDNSA-N 1 0 478.645 2.598 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328794 1062803698 /nfs/dbraw/zinc/80/36/98/1062803698.db2.gz MLFRWVGMJJYYIN-LEWJYISDSA-N 1 0 467.618 2.688 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001287329432 1062805815 /nfs/dbraw/zinc/80/58/15/1062805815.db2.gz UCCFNNVBBOSTBU-IBGZPJMESA-N 1 0 460.627 2.712 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001287331163 1062808273 /nfs/dbraw/zinc/80/82/73/1062808273.db2.gz FDXSUQUJBCKDKM-LEWJYISDSA-N 1 0 457.598 2.540 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001287332547 1062809599 /nfs/dbraw/zinc/80/95/99/1062809599.db2.gz KNDLYDJNSQMMSG-IRLDBZIGSA-N 1 0 472.609 2.746 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001287334162 1062811187 /nfs/dbraw/zinc/81/11/87/1062811187.db2.gz PXCHCUSHUNFHJU-JOCHJYFZSA-N 1 0 453.635 2.689 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(N)=O)C1)[NH+](C)C ZINC001287333828 1062811282 /nfs/dbraw/zinc/81/12/82/1062811282.db2.gz VMEWHSIJWHRJGO-RBUKOAKNSA-N 1 0 451.575 2.888 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001287334101 1062811347 /nfs/dbraw/zinc/81/13/47/1062811347.db2.gz PLGXZGOBIPJANB-DYXWJJEUSA-N 1 0 458.582 2.919 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001287334975 1062812664 /nfs/dbraw/zinc/81/26/64/1062812664.db2.gz TZTPVLJBPSDOTO-FGZHOGPDSA-N 1 0 454.619 2.721 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001287335727 1062814697 /nfs/dbraw/zinc/81/46/97/1062814697.db2.gz WPHCNMKAIUUZAC-FCHUYYIVSA-N 1 0 455.651 2.981 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+](C)C ZINC001287339242 1062816670 /nfs/dbraw/zinc/81/66/70/1062816670.db2.gz SYZSGBGYPRYDLZ-BBWFWOEESA-N 1 0 460.545 2.533 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+](C)C ZINC001287339243 1062816693 /nfs/dbraw/zinc/81/66/93/1062816693.db2.gz SYZSGBGYPRYDLZ-BRWVUGGUSA-N 1 0 460.545 2.533 20 0 JFADRO CC(C)C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)[NH+](C)C ZINC001287339537 1062817593 /nfs/dbraw/zinc/81/75/93/1062817593.db2.gz WVDRZEICYRAAEE-XLNZFTOWSA-N 1 0 490.674 2.630 20 0 JFADRO 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CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001295334856 1063244137 /nfs/dbraw/zinc/24/41/37/1063244137.db2.gz UWGGCZXGKIQZMV-DEOSSOPVSA-N 1 0 499.679 2.873 20 0 JFADRO C[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291158544 1063245018 /nfs/dbraw/zinc/24/50/18/1063245018.db2.gz XYWZKJJSYBQYQX-FQEVSTJZSA-N 1 0 468.627 2.876 20 0 JFADRO C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001291164065 1063247664 /nfs/dbraw/zinc/24/76/64/1063247664.db2.gz QCFXWDLDBMOACD-UNMCSNQZSA-N 1 0 475.659 2.708 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001291164362 1063248541 /nfs/dbraw/zinc/24/85/41/1063248541.db2.gz TYKVJXUEIQIQOQ-XZWCOCNFSA-N 1 0 476.666 2.942 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295335308 1063251083 /nfs/dbraw/zinc/25/10/83/1063251083.db2.gz SHMKECHXAFEKGQ-OAQYLSRUSA-N 1 0 461.699 2.686 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295336815 1063260949 /nfs/dbraw/zinc/26/09/49/1063260949.db2.gz WTSXKTRXNMGCAD-QFIPXVFZSA-N 1 0 467.662 2.728 20 0 JFADRO C[C@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CC1(C)C ZINC001291173723 1063261302 /nfs/dbraw/zinc/26/13/02/1063261302.db2.gz ANYLAUZMJDNCCP-NRFANRHFSA-N 1 0 467.662 2.603 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295338402 1063266028 /nfs/dbraw/zinc/26/60/28/1063266028.db2.gz ODSLUOKUVQEDLT-FCHUYYIVSA-N 1 0 475.726 2.978 20 0 JFADRO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291178908 1063267652 /nfs/dbraw/zinc/26/76/52/1063267652.db2.gz SFXLRPSLVFEICG-QFIPXVFZSA-N 1 0 487.693 2.625 20 0 JFADRO CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179502 1063268403 /nfs/dbraw/zinc/26/84/03/1063268403.db2.gz FOWAVBZQFJZFMN-FGZHOGPDSA-N 1 0 460.667 2.893 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001291179832 1063269359 /nfs/dbraw/zinc/26/93/59/1063269359.db2.gz NWABDPHKYNVEOZ-WOJBJXKFSA-N 1 0 454.685 2.883 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001291179829 1063269448 /nfs/dbraw/zinc/26/94/48/1063269448.db2.gz NWABDPHKYNVEOZ-PMACEKPBSA-N 1 0 454.685 2.883 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(-c4cccn4C)n3CCCS(C)(=O)=O)C2)CC1 ZINC001291179862 1063269674 /nfs/dbraw/zinc/26/96/74/1063269674.db2.gz OQGVPYGDZPEEMI-FQEVSTJZSA-N 1 0 462.664 2.667 20 0 JFADRO CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179854 1063269718 /nfs/dbraw/zinc/26/97/18/1063269718.db2.gz ONDORCOCOSQSBJ-HXUWFJFHSA-N 1 0 454.685 2.678 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc([C@H]4CCCCO4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001291180012 1063270215 /nfs/dbraw/zinc/27/02/15/1063270215.db2.gz RMMVBQQBPUMHAI-LEWJYISDSA-N 1 0 467.680 2.903 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CCCOC1CCOCC1 ZINC001291180093 1063270767 /nfs/dbraw/zinc/27/07/67/1063270767.db2.gz UDBUFKVFZVEYAL-QFIPXVFZSA-N 1 0 490.693 2.950 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001291180015 1063270866 /nfs/dbraw/zinc/27/08/66/1063270866.db2.gz RMMVBQQBPUMHAI-SFTDATJTSA-N 1 0 467.680 2.903 20 0 JFADRO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180253 1063271918 /nfs/dbraw/zinc/27/19/18/1063271918.db2.gz XSNYDDBOPWBYCL-HXUWFJFHSA-N 1 0 459.639 2.680 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180230 1063271939 /nfs/dbraw/zinc/27/19/39/1063271939.db2.gz XFNFPGSHIBYDOW-ZWKOTPCHSA-N 1 0 476.638 2.882 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291180425 1063272277 /nfs/dbraw/zinc/27/22/77/1063272277.db2.gz BTJMRZOGIRXTFJ-SZPZYZBQSA-N 1 0 470.666 2.793 20 0 JFADRO CC1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001291180852 1063273683 /nfs/dbraw/zinc/27/36/83/1063273683.db2.gz PNLGSLLAIQOKPQ-UHFFFAOYSA-N 1 0 489.709 2.953 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001291181591 1063275737 /nfs/dbraw/zinc/27/57/37/1063275737.db2.gz NCHYFZKGPLJSJY-SFHVURJKSA-N 1 0 462.545 2.980 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC001291181730 1063276249 /nfs/dbraw/zinc/27/62/49/1063276249.db2.gz QKTVHXAIDONQCJ-XUVXKRRUSA-N 1 0 455.669 2.900 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccc2F)n1CCC[NH+]1CCC(C)CC1 ZINC001291181996 1063276801 /nfs/dbraw/zinc/27/68/01/1063276801.db2.gz ZPVKTZOQTOAEQX-GOSISDBHSA-N 1 0 466.627 2.786 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(CC(=O)NC3CCCC3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183114 1063279613 /nfs/dbraw/zinc/27/96/13/1063279613.db2.gz GPFVVSFYNVNUTE-UHFFFAOYSA-N 1 0 487.693 2.814 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001291183655 1063281016 /nfs/dbraw/zinc/28/10/16/1063281016.db2.gz AHUFXEBTUIOZGR-HNNXBMFYSA-N 1 0 479.398 2.890 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001291183629 1063281097 /nfs/dbraw/zinc/28/10/97/1063281097.db2.gz ZKCPJGIGRLRHBZ-PWRODBHTSA-N 1 0 460.667 2.986 20 0 JFADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291183985 1063282004 /nfs/dbraw/zinc/28/20/04/1063282004.db2.gz LIOVZIRDXXKVIP-RTBURBONSA-N 1 0 458.582 2.956 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001291184012 1063282119 /nfs/dbraw/zinc/28/21/19/1063282119.db2.gz MJPZNQGLKXEEMS-IBGZPJMESA-N 1 0 478.638 2.582 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCCCCC[C@H]32)n1CC[NH+]1CCC(C)CC1 ZINC001291184040 1063282476 /nfs/dbraw/zinc/28/24/76/1063282476.db2.gz MSJJQOQHHUTKIH-XUVXKRRUSA-N 1 0 452.669 2.779 20 0 JFADRO CC1CC[NH+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001291184438 1063282913 /nfs/dbraw/zinc/28/29/13/1063282913.db2.gz ZPZXPFXMBZMIBZ-UHFFFAOYSA-N 1 0 481.523 2.551 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@H]2C)CC1 ZINC001291184592 1063283600 /nfs/dbraw/zinc/28/36/00/1063283600.db2.gz FFPJSDOAMONVMQ-UXHICEINSA-N 1 0 478.638 2.544 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOCC2)CC1 ZINC001291184714 1063284058 /nfs/dbraw/zinc/28/40/58/1063284058.db2.gz IEZRUBLGJNXUMZ-FQEVSTJZSA-N 1 0 462.639 2.961 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001291184807 1063284565 /nfs/dbraw/zinc/28/45/65/1063284565.db2.gz LBMSYKMWWJKSRU-NRFANRHFSA-N 1 0 494.706 2.526 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001291185311 1063285098 /nfs/dbraw/zinc/28/50/98/1063285098.db2.gz ZPJMSLCQMBSKDY-WOJBJXKFSA-N 1 0 489.665 2.702 20 0 JFADRO CC1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291185683 1063286271 /nfs/dbraw/zinc/28/62/71/1063286271.db2.gz LYWHBSBJFZIHPX-QFIPXVFZSA-N 1 0 475.659 2.645 20 0 JFADRO CC1CC[NH+](CCn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291185682 1063286414 /nfs/dbraw/zinc/28/64/14/1063286414.db2.gz LYWHBSBJFZIHPX-JOCHJYFZSA-N 1 0 475.659 2.645 20 0 JFADRO CC1CC[NH+](CCn2c(N3CCN(c4ccc(C(N)=O)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001291186032 1063288140 /nfs/dbraw/zinc/28/81/40/1063288140.db2.gz XCZRFDZZLIKWIB-UHFFFAOYSA-N 1 0 453.635 2.733 20 0 JFADRO CC1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001291186069 1063288639 /nfs/dbraw/zinc/28/86/39/1063288639.db2.gz YLERMWGRYFRLNX-UHFFFAOYSA-N 1 0 488.702 2.561 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291186393 1063290059 /nfs/dbraw/zinc/29/00/59/1063290059.db2.gz DQYGFWKDFSQTJI-BFRACDOUSA-N 1 0 492.709 2.605 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(CCC(N)=O)CC2)C[C@@H](C)O1 ZINC001291186656 1063292139 /nfs/dbraw/zinc/29/21/39/1063292139.db2.gz INMXITCBJLKWFR-SBHAEUEKSA-N 1 0 476.666 2.889 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295348903 1063292101 /nfs/dbraw/zinc/29/21/01/1063292101.db2.gz RHBAFHFTIBGTFO-HHHXNRCGSA-N 1 0 497.688 2.893 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291186744 1063292442 /nfs/dbraw/zinc/29/24/42/1063292442.db2.gz JOCYTFLGPGUBJK-RZUBCFFCSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C[C@H](C)O1 ZINC001291187005 1063294130 /nfs/dbraw/zinc/29/41/30/1063294130.db2.gz NJUDNVYPRCUFSK-ROUUACIJSA-N 1 0 465.602 2.896 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295350338 1063294181 /nfs/dbraw/zinc/29/41/81/1063294181.db2.gz ALTMOCUDHMYSJP-HSZRJFAPSA-N 1 0 483.661 2.866 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001295350563 1063295693 /nfs/dbraw/zinc/29/56/93/1063295693.db2.gz FFVBHFIEVHBPAB-QFIPXVFZSA-N 1 0 475.682 2.756 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc(C3CCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291187356 1063295847 /nfs/dbraw/zinc/29/58/47/1063295847.db2.gz SWARHOJBRZRRLR-FXELSEDVSA-N 1 0 462.683 2.979 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291187626 1063296613 /nfs/dbraw/zinc/29/66/13/1063296613.db2.gz WWVXPCKYISIOHW-BDTNDASRSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC001291187960 1063298681 /nfs/dbraw/zinc/29/86/81/1063298681.db2.gz BRPMQZORZJEEKP-QZTJIDSGSA-N 1 0 472.609 2.598 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295352027 1063300578 /nfs/dbraw/zinc/30/05/78/1063300578.db2.gz XURUFTNFHLWGPZ-FGZHOGPDSA-N 1 0 475.682 2.876 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291188161 1063300759 /nfs/dbraw/zinc/30/07/59/1063300759.db2.gz GIBPIVWRKASACG-GBESFXJTSA-N 1 0 472.609 2.563 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCC(C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001291188329 1063302355 /nfs/dbraw/zinc/30/23/55/1063302355.db2.gz IJJVNVMWXINKKY-WOJBJXKFSA-N 1 0 490.693 2.539 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C[C@H](C)O1 ZINC001291188493 1063304061 /nfs/dbraw/zinc/30/40/61/1063304061.db2.gz LEWZQAXKPUMPLG-QRVBRYPASA-N 1 0 488.608 2.551 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291188823 1063305378 /nfs/dbraw/zinc/30/53/78/1063305378.db2.gz RCMSYIIBPKGYCN-RTBURBONSA-N 1 0 450.672 2.963 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(CC(C)(C)C)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291188821 1063305417 /nfs/dbraw/zinc/30/54/17/1063305417.db2.gz RCMSYIIBPKGYCN-KDURUIRLSA-N 1 0 450.672 2.963 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC001291188953 1063306061 /nfs/dbraw/zinc/30/60/61/1063306061.db2.gz SVOKDQWLVNPJAS-IAGOWNOFSA-N 1 0 460.648 2.520 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291189235 1063307430 /nfs/dbraw/zinc/30/74/30/1063307430.db2.gz XRLLQTLRKGXNKO-BGYRXZFFSA-N 1 0 468.646 2.653 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291189054 1063307560 /nfs/dbraw/zinc/30/75/60/1063307560.db2.gz VCJJDWAOKZZZPA-ZVDOUQERSA-N 1 0 486.636 2.988 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)CCC2CCOCC2)C[C@H](C)O1 ZINC001291189258 1063308311 /nfs/dbraw/zinc/30/83/11/1063308311.db2.gz YHNPTSBLJRCLSN-BGYRXZFFSA-N 1 0 476.666 2.541 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001295355117 1063308927 /nfs/dbraw/zinc/30/89/27/1063308927.db2.gz SMKNNGVEMAMVCM-UHFFFAOYSA-N 1 0 490.656 2.958 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295355555 1063309455 /nfs/dbraw/zinc/30/94/55/1063309455.db2.gz NBCKSCSBPZYGMF-FCHUYYIVSA-N 1 0 475.682 2.734 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(F)cc2Br)n1CC[NH+]1CCCCC1 ZINC001291189587 1063311407 /nfs/dbraw/zinc/31/14/07/1063311407.db2.gz DRLCMZFAVGFFML-HNNXBMFYSA-N 1 0 479.398 3.000 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001295357540 1063313103 /nfs/dbraw/zinc/31/31/03/1063313103.db2.gz AAHQQRNZTCUYIJ-VQTJNVASSA-N 1 0 492.632 2.551 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001295359038 1063318372 /nfs/dbraw/zinc/31/83/72/1063318372.db2.gz UDBZFROUNZFANE-FUHWJXTLSA-N 1 0 477.009 2.591 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001295359207 1063319097 /nfs/dbraw/zinc/31/90/97/1063319097.db2.gz VXEKVUZYOVCUQN-GOSISDBHSA-N 1 0 472.634 2.769 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295360539 1063321093 /nfs/dbraw/zinc/32/10/93/1063321093.db2.gz FHFUGLDCEPWEFM-XLIONFOSSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001295360679 1063321167 /nfs/dbraw/zinc/32/11/67/1063321167.db2.gz FSDMMGPAYUPPOA-RDJZCZTQSA-N 1 0 464.517 2.918 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001295361323 1063322542 /nfs/dbraw/zinc/32/25/42/1063322542.db2.gz KVWOSSVZUXMQTF-FUHIMQAGSA-N 1 0 499.081 2.850 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001295363460 1063324373 /nfs/dbraw/zinc/32/43/73/1063324373.db2.gz AMSRTCPNBNCOMA-LEWJYISDSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001295363611 1063324923 /nfs/dbraw/zinc/32/49/23/1063324923.db2.gz CWKKWSOYGNDFBM-IEBWSBKVSA-N 1 0 456.591 2.757 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001295364082 1063325361 /nfs/dbraw/zinc/32/53/61/1063325361.db2.gz DRXLYYIMTVFAKT-RTWAWAEBSA-N 1 0 456.635 2.843 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291194149 1063325600 /nfs/dbraw/zinc/32/56/00/1063325600.db2.gz QOPGELDXZJIGTH-QFBILLFUSA-N 1 0 456.522 2.559 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001291194147 1063325638 /nfs/dbraw/zinc/32/56/38/1063325638.db2.gz QOPGELDXZJIGTH-APWZRJJASA-N 1 0 456.522 2.559 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291194150 1063325790 /nfs/dbraw/zinc/32/57/90/1063325790.db2.gz QOPGELDXZJIGTH-VQIMIIECSA-N 1 0 456.522 2.559 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295364138 1063325911 /nfs/dbraw/zinc/32/59/11/1063325911.db2.gz FCCWSNDGCZNHBN-KDOFPFPSSA-N 1 0 497.413 2.528 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001295365281 1063327254 /nfs/dbraw/zinc/32/72/54/1063327254.db2.gz GHRCBXIRQYETDV-GOSISDBHSA-N 1 0 498.607 2.948 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295365633 1063328263 /nfs/dbraw/zinc/32/82/63/1063328263.db2.gz IAGXLJJKCAQQIN-KBXCAEBGSA-N 1 0 469.417 2.933 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001295366078 1063328960 /nfs/dbraw/zinc/32/89/60/1063328960.db2.gz PLPMDBHJEGVLJL-KRWDZBQOSA-N 1 0 480.032 2.678 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001291194831 1063329650 /nfs/dbraw/zinc/32/96/50/1063329650.db2.gz FQKGFAYICJCPSR-SLFFLAALSA-N 1 0 489.665 2.592 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295366887 1063330838 /nfs/dbraw/zinc/33/08/38/1063330838.db2.gz VNFYICODKAKVEH-HKUYNNGSSA-N 1 0 456.616 2.847 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295366888 1063331117 /nfs/dbraw/zinc/33/11/17/1063331117.db2.gz VNFYICODKAKVEH-IEBWSBKVSA-N 1 0 456.616 2.847 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 ZINC001295367045 1063331830 /nfs/dbraw/zinc/33/18/30/1063331830.db2.gz SDEVAJSYYOYZTP-QUCCMNQESA-N 1 0 486.646 2.512 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295367662 1063333209 /nfs/dbraw/zinc/33/32/09/1063333209.db2.gz ZFILHAWGLQKNPT-IERDGZPVSA-N 1 0 467.039 2.739 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001295368951 1063333519 /nfs/dbraw/zinc/33/35/19/1063333519.db2.gz YTCCZGQBSOHPFX-GOSISDBHSA-N 1 0 454.575 2.717 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001295369329 1063334271 /nfs/dbraw/zinc/33/42/71/1063334271.db2.gz DLXVYLLAEQDELV-IBGZPJMESA-N 1 0 490.052 2.903 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001295371773 1063337775 /nfs/dbraw/zinc/33/77/75/1063337775.db2.gz QYJDJJAXDNIDGD-SFHVURJKSA-N 1 0 478.601 2.612 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCN1CCOCC1 ZINC001295372104 1063338368 /nfs/dbraw/zinc/33/83/68/1063338368.db2.gz BHFMEMIKVXOCAI-HXUWFJFHSA-N 1 0 453.635 2.936 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001295372947 1063339931 /nfs/dbraw/zinc/33/99/31/1063339931.db2.gz IUMNHBYTEFAMEQ-HXUWFJFHSA-N 1 0 464.618 2.761 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373073 1063340382 /nfs/dbraw/zinc/34/03/82/1063340382.db2.gz XSLSVDXCJSNKFM-SFTDATJTSA-N 1 0 484.693 2.583 20 0 JFADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1)C(C)C ZINC001291197129 1063341242 /nfs/dbraw/zinc/34/12/42/1063341242.db2.gz YGKXRRRNGWXYFY-OAQYLSRUSA-N 1 0 476.666 2.797 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001295373540 1063341485 /nfs/dbraw/zinc/34/14/85/1063341485.db2.gz PFIGOACBRVQLJN-JKSUJKDBSA-N 1 0 485.555 2.809 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001295373925 1063341968 /nfs/dbraw/zinc/34/19/68/1063341968.db2.gz UGXSLFLZZVYEIA-ROUUACIJSA-N 1 0 467.618 2.926 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001295373992 1063342635 /nfs/dbraw/zinc/34/26/35/1063342635.db2.gz VAVREDIZXVWJLW-BDTNDASRSA-N 1 0 484.693 2.820 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001295374295 1063343007 /nfs/dbraw/zinc/34/30/07/1063343007.db2.gz WOMYXXJHLBKDFC-ROUUACIJSA-N 1 0 467.618 2.926 20 0 JFADRO CCn1cc(CN(C)c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](CC)CC)cn1 ZINC001295374703 1063343529 /nfs/dbraw/zinc/34/35/29/1063343529.db2.gz YDNZBZVBHGUPEL-GOSISDBHSA-N 1 0 477.617 2.775 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC001295376466 1063345165 /nfs/dbraw/zinc/34/51/65/1063345165.db2.gz MYTWAKJKFJJOTP-FCEUIQTBSA-N 1 0 454.619 2.798 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001295376422 1063345232 /nfs/dbraw/zinc/34/52/32/1063345232.db2.gz MGNYYLVILYRVQA-FXAWDEMLSA-N 1 0 488.036 2.575 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001295376743 1063345717 /nfs/dbraw/zinc/34/57/17/1063345717.db2.gz PPTJRAVTXZVVBL-AQNXPRMDSA-N 1 0 491.681 2.825 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001295376593 1063345820 /nfs/dbraw/zinc/34/58/20/1063345820.db2.gz OCKGXFFQIMLXAO-VAMGGRTRSA-N 1 0 482.633 2.518 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295376935 1063346452 /nfs/dbraw/zinc/34/64/52/1063346452.db2.gz QRUAICJHXYIDDE-KNQAVFIVSA-N 1 0 481.645 2.667 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001295378475 1063348142 /nfs/dbraw/zinc/34/81/42/1063348142.db2.gz FPVBESFYGRUWKZ-IRLDBZIGSA-N 1 0 454.619 2.783 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380024 1063352434 /nfs/dbraw/zinc/35/24/34/1063352434.db2.gz OFWPWKOPPVKTMQ-ROUUACIJSA-N 1 0 496.628 2.515 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001295380026 1063352500 /nfs/dbraw/zinc/35/25/00/1063352500.db2.gz OLZFHSPHEPSWCW-CEXWTWQISA-N 1 0 455.669 2.694 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001295380030 1063352572 /nfs/dbraw/zinc/35/25/72/1063352572.db2.gz OLZFHSPHEPSWCW-QYZOEREBSA-N 1 0 455.669 2.694 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295380023 1063352599 /nfs/dbraw/zinc/35/25/99/1063352599.db2.gz OFWPWKOPPVKTMQ-QZTJIDSGSA-N 1 0 496.628 2.515 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001295381233 1063353761 /nfs/dbraw/zinc/35/37/61/1063353761.db2.gz SZIYHMPWUXSXFG-QFIPXVFZSA-N 1 0 461.699 2.732 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC001295380794 1063353776 /nfs/dbraw/zinc/35/37/76/1063353776.db2.gz RNFLZGCBIZMGJP-RTBURBONSA-N 1 0 468.654 2.750 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001295383315 1063355960 /nfs/dbraw/zinc/35/59/60/1063355960.db2.gz AQKVDWSDZDZVFX-PPJWLVRDSA-N 1 0 495.716 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001295383311 1063356022 /nfs/dbraw/zinc/35/60/22/1063356022.db2.gz AQKVDWSDZDZVFX-JQYIIUTOSA-N 1 0 495.716 2.782 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001295383703 1063357082 /nfs/dbraw/zinc/35/70/82/1063357082.db2.gz CCVBYTXRYRLYGR-SFTDATJTSA-N 1 0 459.639 2.644 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001295383702 1063357216 /nfs/dbraw/zinc/35/72/16/1063357216.db2.gz CCVBYTXRYRLYGR-RTWAWAEBSA-N 1 0 459.639 2.644 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001295385261 1063360884 /nfs/dbraw/zinc/36/08/84/1063360884.db2.gz KOSVULCFKIFVQT-SFHVURJKSA-N 1 0 456.561 2.554 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001295385590 1063361514 /nfs/dbraw/zinc/36/15/14/1063361514.db2.gz NPIBHOOQCPLNNA-DUXKGJEZSA-N 1 0 457.575 2.916 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205149 1063362469 /nfs/dbraw/zinc/36/24/69/1063362469.db2.gz FLHIOZQXNDVAHH-HUUCEWRRSA-N 1 0 487.095 2.962 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3cc(Br)ccc3[C@H](C)C2)n1C[C@H](C)[NH+](C)C ZINC001291205662 1063364757 /nfs/dbraw/zinc/36/47/57/1063364757.db2.gz MBWOOIYIFQUSAZ-ILXRZTDVSA-N 1 0 499.479 2.725 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295388062 1063365392 /nfs/dbraw/zinc/36/53/92/1063365392.db2.gz IFUWMMNSWDAZTC-SXLOBPIMSA-N 1 0 456.591 2.543 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295389661 1063367045 /nfs/dbraw/zinc/36/70/45/1063367045.db2.gz FSPXVVADAQPJNR-QGZVFWFLSA-N 1 0 467.611 2.740 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CC1([NH+](C)C)CCCC1 ZINC001291206092 1063367649 /nfs/dbraw/zinc/36/76/49/1063367649.db2.gz RYZFQMKFLDAQKS-SVFBPWRDSA-N 1 0 490.674 2.729 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001295389776 1063367697 /nfs/dbraw/zinc/36/76/97/1063367697.db2.gz MLBFEKHZJOVOHN-PKTZIBPZSA-N 1 0 496.704 2.517 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001295389857 1063367747 /nfs/dbraw/zinc/36/77/47/1063367747.db2.gz OBWPXIFUZUNDSP-LJQANCHMSA-N 1 0 454.648 2.773 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295390019 1063368209 /nfs/dbraw/zinc/36/82/09/1063368209.db2.gz KDEUJMLXXYSARN-UHZRXMQZSA-N 1 0 480.654 2.629 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206455 1063368644 /nfs/dbraw/zinc/36/86/44/1063368644.db2.gz WWUYSIXGHIGSCJ-MSOLQXFVSA-N 1 0 496.628 2.991 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001291206478 1063369430 /nfs/dbraw/zinc/36/94/30/1063369430.db2.gz XALISGXRSNBXAQ-MSOLQXFVSA-N 1 0 454.685 2.881 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001295390517 1063369972 /nfs/dbraw/zinc/36/99/72/1063369972.db2.gz PMDJMXYFQGTWGI-VVMIZEJSSA-N 1 0 489.665 2.638 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1)c1ccccc1 ZINC001295391001 1063373080 /nfs/dbraw/zinc/37/30/80/1063373080.db2.gz CTTSUDBODMCLBG-QFIPXVFZSA-N 1 0 491.644 2.616 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001295391110 1063373764 /nfs/dbraw/zinc/37/37/64/1063373764.db2.gz UZPOEPUZZLQGEF-FHAGJXEFSA-N 1 0 473.618 2.980 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391696 1063375566 /nfs/dbraw/zinc/37/55/66/1063375566.db2.gz HEIRBXGTAFQCIZ-ICSRJNTNSA-N 1 0 471.606 2.844 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295391851 1063375613 /nfs/dbraw/zinc/37/56/13/1063375613.db2.gz YTBVDORYZZZNIK-LTFPLMDUSA-N 1 0 462.639 2.862 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccco1 ZINC001295392258 1063376284 /nfs/dbraw/zinc/37/62/84/1063376284.db2.gz JPKCEQMMDOWGLP-FQEVSTJZSA-N 1 0 495.632 2.517 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295392619 1063376959 /nfs/dbraw/zinc/37/69/59/1063376959.db2.gz ZWIZSWSDUINOOI-QGZVFWFLSA-N 1 0 451.612 2.752 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)c1ccsc1 ZINC001295393006 1063377981 /nfs/dbraw/zinc/37/79/81/1063377981.db2.gz OBNNVKCOBGAYTE-MFSJNOQSSA-N 1 0 490.674 2.945 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCOc1ccccc1 ZINC001291208308 1063378686 /nfs/dbraw/zinc/37/86/86/1063378686.db2.gz VVOQBOQPVKUZKA-VQTJNVASSA-N 1 0 490.674 2.668 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001295393337 1063378737 /nfs/dbraw/zinc/37/87/37/1063378737.db2.gz QAZIRUMKFVMWBY-RCLSDMTESA-N 1 0 478.663 2.585 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccco1 ZINC001295394092 1063380273 /nfs/dbraw/zinc/38/02/73/1063380273.db2.gz XLQRZIQYMLWCKJ-SFHVURJKSA-N 1 0 452.625 2.596 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 ZINC001295394449 1063380813 /nfs/dbraw/zinc/38/08/13/1063380813.db2.gz ZPRMAXBAEVQQPC-FNZWTVRRSA-N 1 0 490.612 2.710 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccsc1 ZINC001295395904 1063382315 /nfs/dbraw/zinc/38/23/15/1063382315.db2.gz ANCLUWGDDZHVMG-LAUBAEHRSA-N 1 0 459.664 2.520 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccsc1 ZINC001295397490 1063384234 /nfs/dbraw/zinc/38/42/34/1063384234.db2.gz OAFSEKJMRMBRBS-HLAWJBBLSA-N 1 0 484.626 2.845 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnccn1)c1ccsc1 ZINC001295398010 1063384852 /nfs/dbraw/zinc/38/48/52/1063384852.db2.gz AGWAZIFGIMJRTJ-OALUTQOASA-N 1 0 454.604 2.800 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)NC)CC1)c1ccco1 ZINC001295398013 1063384958 /nfs/dbraw/zinc/38/49/58/1063384958.db2.gz AHYVPKXBUJCCAY-FQEVSTJZSA-N 1 0 466.590 2.764 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291209808 1063385386 /nfs/dbraw/zinc/38/53/86/1063385386.db2.gz RNEQDUMCOLKGKF-DYXWJJEUSA-N 1 0 488.608 2.725 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001295402035 1063386885 /nfs/dbraw/zinc/38/68/85/1063386885.db2.gz RJUMVUNMBVBBRN-QFBILLFUSA-N 1 0 454.604 2.581 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccsc1 ZINC001295402119 1063386916 /nfs/dbraw/zinc/38/69/16/1063386916.db2.gz SNQNWJATVRACHS-FCHUYYIVSA-N 1 0 483.642 2.826 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001295402034 1063386961 /nfs/dbraw/zinc/38/69/61/1063386961.db2.gz RJUMVUNMBVBBRN-LPHOPBHVSA-N 1 0 454.604 2.581 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 ZINC001295402621 1063388193 /nfs/dbraw/zinc/38/81/93/1063388193.db2.gz BIPCOALQGYMFFN-VXNXHJTFSA-N 1 0 484.645 2.754 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1)c1ccsc1 ZINC001295404612 1063391076 /nfs/dbraw/zinc/39/10/76/1063391076.db2.gz LLJRKAWRZSHIBB-HXUWFJFHSA-N 1 0 488.658 2.935 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404977 1063391873 /nfs/dbraw/zinc/39/18/73/1063391873.db2.gz FFUWPQMNOWFSNX-SFTDATJTSA-N 1 0 458.607 2.811 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295405223 1063393017 /nfs/dbraw/zinc/39/30/17/1063393017.db2.gz FVJFPTNRUAUVBP-FPOVZHCZSA-N 1 0 458.607 2.905 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001291211697 1063395745 /nfs/dbraw/zinc/39/57/45/1063395745.db2.gz ZIRCDOPLLUIHFB-FZKQIMNGSA-N 1 0 455.426 2.698 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 ZINC001295407103 1063398469 /nfs/dbraw/zinc/39/84/69/1063398469.db2.gz PNYBUKIHTPZKEB-HSZRJFAPSA-N 1 0 497.688 2.733 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccccc1 ZINC001295407137 1063398628 /nfs/dbraw/zinc/39/86/28/1063398628.db2.gz PUDWXOWMJAICMQ-BXXSPATCSA-N 1 0 485.629 2.615 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccco1 ZINC001295407709 1063399910 /nfs/dbraw/zinc/39/99/10/1063399910.db2.gz XOXVYFWFBBMZDI-RTWAWAEBSA-N 1 0 458.607 2.953 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408132 1063401256 /nfs/dbraw/zinc/40/12/56/1063401256.db2.gz ZDZXXWNYFCAPRG-UXHICEINSA-N 1 0 458.607 2.763 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001295408334 1063401811 /nfs/dbraw/zinc/40/18/11/1063401811.db2.gz ZGYNZYGDKAGAPS-XZOQPEGZSA-N 1 0 454.619 2.924 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001291213902 1063409443 /nfs/dbraw/zinc/40/94/43/1063409443.db2.gz MUZBCDVUSPFIIT-RTBURBONSA-N 1 0 490.674 2.683 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001291214457 1063415534 /nfs/dbraw/zinc/41/55/34/1063415534.db2.gz XEFXOTGLGWVWBV-IEGUWTFLSA-N 1 0 492.715 2.725 20 0 JFADRO C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291217039 1063436721 /nfs/dbraw/zinc/43/67/21/1063436721.db2.gz VCOVWPBYTDZPMI-MBOZVWFJSA-N 1 0 477.451 2.815 20 0 JFADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC001295425701 1063438844 /nfs/dbraw/zinc/43/88/44/1063438844.db2.gz YWFOYMBQPINWJU-UHFFFAOYSA-N 1 0 457.596 2.828 20 0 JFADRO C[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CC(=O)N(C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001291222115 1063457194 /nfs/dbraw/zinc/45/71/94/1063457194.db2.gz IRILKZNCWPBFAD-UONOGXRCSA-N 1 0 479.398 2.996 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)CC1 ZINC001295462650 1063462695 /nfs/dbraw/zinc/46/26/95/1063462695.db2.gz FHDZNVBVKNPWLW-UHFFFAOYSA-N 1 0 481.645 2.984 20 0 JFADRO CCn1cnnc1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001295464817 1063468495 /nfs/dbraw/zinc/46/84/95/1063468495.db2.gz MEJGRISOKKSOOB-UHFFFAOYSA-N 1 0 468.606 2.933 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(C)cn2)CC1 ZINC001295465072 1063469041 /nfs/dbraw/zinc/46/90/41/1063469041.db2.gz JXPOWGBXDHVTPC-UHFFFAOYSA-N 1 0 485.658 2.864 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001295465343 1063469095 /nfs/dbraw/zinc/46/90/95/1063469095.db2.gz VEWKAWBGKPZGHH-UHFFFAOYSA-N 1 0 470.618 2.513 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)CC1 ZINC001295470348 1063474866 /nfs/dbraw/zinc/47/48/66/1063474866.db2.gz CIGOFJXVHITKSM-NRFANRHFSA-N 1 0 456.639 2.749 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001295472974 1063478561 /nfs/dbraw/zinc/47/85/61/1063478561.db2.gz OQBMAGIGWIKPIE-IBGZPJMESA-N 1 0 458.607 2.943 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)CC1 ZINC001295472893 1063478579 /nfs/dbraw/zinc/47/85/79/1063478579.db2.gz MWYLREXYABDXDG-QGZVFWFLSA-N 1 0 451.662 2.909 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001295474011 1063480427 /nfs/dbraw/zinc/48/04/27/1063480427.db2.gz XRJISPIBPVKOEK-LEWJYISDSA-N 1 0 486.636 2.966 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001295474038 1063480433 /nfs/dbraw/zinc/48/04/33/1063480433.db2.gz YBILRPPBQLCRCP-NRFANRHFSA-N 1 0 454.619 2.695 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001295474039 1063480444 /nfs/dbraw/zinc/48/04/44/1063480444.db2.gz YBILRPPBQLCRCP-OAQYLSRUSA-N 1 0 454.619 2.695 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001295474013 1063480478 /nfs/dbraw/zinc/48/04/78/1063480478.db2.gz XRJISPIBPVKOEK-NHCUHLMSSA-N 1 0 486.636 2.966 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001295474689 1063481148 /nfs/dbraw/zinc/48/11/48/1063481148.db2.gz DEHPWJVRRJIIAH-VQTJNVASSA-N 1 0 461.582 2.847 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(COC)cc2)CC1 ZINC001295474737 1063482189 /nfs/dbraw/zinc/48/21/89/1063482189.db2.gz GIXSIIHIEDJHKW-UHFFFAOYSA-N 1 0 454.619 2.906 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001295474735 1063482224 /nfs/dbraw/zinc/48/22/24/1063482224.db2.gz GHEIKCHEXPDASE-GOSISDBHSA-N 1 0 479.622 2.742 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@H]2OC)CC1 ZINC001295474743 1063482240 /nfs/dbraw/zinc/48/22/40/1063482240.db2.gz GLYLYIZTCCSAEK-UYAOXDASSA-N 1 0 490.674 2.632 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001291229786 1063482293 /nfs/dbraw/zinc/48/22/93/1063482293.db2.gz OFOIDIPLYNREMO-FUHWJXTLSA-N 1 0 467.540 2.522 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001295474714 1063482301 /nfs/dbraw/zinc/48/23/01/1063482301.db2.gz FHKKTPHXIHLMBX-UHFFFAOYSA-N 1 0 490.674 2.512 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC[C@@H]2OC)CC1 ZINC001295474742 1063482311 /nfs/dbraw/zinc/48/23/11/1063482311.db2.gz GLYLYIZTCCSAEK-QUCCMNQESA-N 1 0 490.674 2.632 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230727 1063484954 /nfs/dbraw/zinc/48/49/54/1063484954.db2.gz HXECBTYTYONQLA-PMACEKPBSA-N 1 0 487.649 2.576 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001295479600 1063488524 /nfs/dbraw/zinc/48/85/24/1063488524.db2.gz GJXLBUPKRUBMQY-JOCHJYFZSA-N 1 0 454.619 2.799 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC(=O)NC)CC1 ZINC001295479946 1063489512 /nfs/dbraw/zinc/48/95/12/1063489512.db2.gz IZQOOXGPZLPZPB-IBGZPJMESA-N 1 0 477.654 2.797 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC001295480954 1063491454 /nfs/dbraw/zinc/49/14/54/1063491454.db2.gz QTAYGHPVZKXNDZ-UHFFFAOYSA-N 1 0 477.613 2.599 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)SC)CC1 ZINC001295482202 1063496808 /nfs/dbraw/zinc/49/68/08/1063496808.db2.gz GAJIPNZDNIUWCH-SFHVURJKSA-N 1 0 460.648 2.696 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001291234927 1063497799 /nfs/dbraw/zinc/49/77/99/1063497799.db2.gz FTCPWNSNEMVDCP-KRWDZBQOSA-N 1 0 458.611 2.609 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2CC2(C)C)CC1 ZINC001295482219 1063497908 /nfs/dbraw/zinc/49/79/08/1063497908.db2.gz GLHMYMMWHNRJMJ-HXUWFJFHSA-N 1 0 484.645 2.999 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H]2CC2(C)C)CC1 ZINC001295482217 1063498008 /nfs/dbraw/zinc/49/80/08/1063498008.db2.gz GLHMYMMWHNRJMJ-FQEVSTJZSA-N 1 0 484.645 2.999 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCC[C@H]2OC)CC1 ZINC001295482360 1063500250 /nfs/dbraw/zinc/50/02/50/1063500250.db2.gz LLTBXGJVPPANKE-IFMALSPDSA-N 1 0 484.645 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C)nc2)CC1 ZINC001295482479 1063501581 /nfs/dbraw/zinc/50/15/81/1063501581.db2.gz PLIPTEWALWIZOP-UHFFFAOYSA-N 1 0 461.614 2.996 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291237465 1063503004 /nfs/dbraw/zinc/50/30/04/1063503004.db2.gz XNWMFDIHLKHAAD-WMZOPIPTSA-N 1 0 466.556 2.928 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCc2ccccc2OC)CC1 ZINC001295482626 1063503415 /nfs/dbraw/zinc/50/34/15/1063503415.db2.gz VNAKAQUXEJLTEL-UHFFFAOYSA-N 1 0 477.613 2.582 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001295482619 1063503534 /nfs/dbraw/zinc/50/35/34/1063503534.db2.gz VJDNDJLTFQIXLH-GOSISDBHSA-N 1 0 482.658 2.899 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291237737 1063504120 /nfs/dbraw/zinc/50/41/20/1063504120.db2.gz CJQITTLOAWRVEK-LMMKCTJWSA-N 1 0 456.595 2.569 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(O)(CC)CC)CC1 ZINC001295482989 1063505782 /nfs/dbraw/zinc/50/57/82/1063505782.db2.gz AIBOKIQPTVHZSD-UHFFFAOYSA-N 1 0 481.645 2.968 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001295483383 1063507130 /nfs/dbraw/zinc/50/71/30/1063507130.db2.gz DAYLBZLKTHVICH-IBGZPJMESA-N 1 0 491.036 2.505 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CCOc2cccc(C)c2)CC1 ZINC001295483537 1063507911 /nfs/dbraw/zinc/50/79/11/1063507911.db2.gz GMHFFDIVMUMABL-UHFFFAOYSA-N 1 0 454.619 2.923 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCc2c(C)cccc2C)CC1 ZINC001295483856 1063509351 /nfs/dbraw/zinc/50/93/51/1063509351.db2.gz JNQCYMOVUUJEES-QFIPXVFZSA-N 1 0 468.646 2.632 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CC[N@@H+](C2CCC2)C1 ZINC001291240859 1063510710 /nfs/dbraw/zinc/51/07/10/1063510710.db2.gz GYGPQMWEELCWBF-JSGCOSHPSA-N 1 0 461.355 2.528 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)cc2C)CC1 ZINC001295484732 1063512538 /nfs/dbraw/zinc/51/25/38/1063512538.db2.gz QVLZIJJFDOZYGU-QHCPKHFHSA-N 1 0 468.646 2.828 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](OC)c2ccccc2)CC1 ZINC001295484715 1063512609 /nfs/dbraw/zinc/51/26/09/1063512609.db2.gz QPHPITYQUYWXBC-GOTSBHOMSA-N 1 0 484.645 2.898 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2sccc2C)CC1 ZINC001295485439 1063514485 /nfs/dbraw/zinc/51/44/85/1063514485.db2.gz WSPGBANWNIPEQR-IBGZPJMESA-N 1 0 460.648 2.581 20 0 JFADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCSCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291244768 1063517744 /nfs/dbraw/zinc/51/77/44/1063517744.db2.gz RUNCKTKGRJHLHP-AEFFLSMTSA-N 1 0 450.653 2.944 20 0 JFADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCSCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291244770 1063517831 /nfs/dbraw/zinc/51/78/31/1063517831.db2.gz RUNCKTKGRJHLHP-SJLPKXTDSA-N 1 0 450.653 2.944 20 0 JFADRO C[C@H]1CN(c2nnc(C3CCC3)n2CC[NH+]2CCSCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291244771 1063517871 /nfs/dbraw/zinc/51/78/71/1063517871.db2.gz RUNCKTKGRJHLHP-WMZOPIPTSA-N 1 0 450.653 2.944 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2cscc2C)CC1 ZINC001295490699 1063517953 /nfs/dbraw/zinc/51/79/53/1063517953.db2.gz FMWDILHPSCSJRO-UHFFFAOYSA-N 1 0 467.643 2.673 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H](OC)C(C)(C)C)CC1 ZINC001295490686 1063518133 /nfs/dbraw/zinc/51/81/33/1063518133.db2.gz FARDLMIFVJVCEC-FQEVSTJZSA-N 1 0 476.691 2.982 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CCc2ccc(F)cc2C)CC1 ZINC001295490767 1063518756 /nfs/dbraw/zinc/51/87/56/1063518756.db2.gz HPRUGVXHVXETGX-UHFFFAOYSA-N 1 0 456.610 2.911 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC2(C)CCCC2)CC1 ZINC001295490974 1063520126 /nfs/dbraw/zinc/52/01/26/1063520126.db2.gz LHOMPZJKNMIGNG-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001295490948 1063520190 /nfs/dbraw/zinc/52/01/90/1063520190.db2.gz KNHSQDMUNSFAHX-UHFFFAOYSA-N 1 0 489.064 2.818 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OC)c2OC)CC1 ZINC001295491007 1063520524 /nfs/dbraw/zinc/52/05/24/1063520524.db2.gz MLIIFOMTITVFFK-UHFFFAOYSA-N 1 0 486.661 2.923 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295491165 1063521833 /nfs/dbraw/zinc/52/18/33/1063521833.db2.gz QEDKEPPWAZICNU-JOCHJYFZSA-N 1 0 486.636 2.814 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CCCO2)CC1 ZINC001295491552 1063523222 /nfs/dbraw/zinc/52/32/22/1063523222.db2.gz UFUKECXYFKHEFG-QFIPXVFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001295491604 1063523718 /nfs/dbraw/zinc/52/37/18/1063523718.db2.gz VZAVEULNSYETQG-RBBKRZOGSA-N 1 0 472.609 2.995 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291248647 1063523814 /nfs/dbraw/zinc/52/38/14/1063523814.db2.gz SROFACLZQBFDKT-AFYVEPGGSA-N 1 0 462.639 2.862 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCCCO2)CC1 ZINC001295491631 1063524416 /nfs/dbraw/zinc/52/44/16/1063524416.db2.gz WSUPXFVKZCAWKH-MQSCRBSSSA-N 1 0 490.693 2.756 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2nccc(C(F)F)n2)CC1 ZINC001295491925 1063525345 /nfs/dbraw/zinc/52/53/45/1063525345.db2.gz ZZFXKTVQOQNCQK-UHFFFAOYSA-N 1 0 490.603 2.777 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nc(C)cs2)CC1 ZINC001295491922 1063525395 /nfs/dbraw/zinc/52/53/95/1063525395.db2.gz ZVVNHKUPPAOXKV-UHFFFAOYSA-N 1 0 497.669 2.969 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291249357 1063525775 /nfs/dbraw/zinc/52/57/75/1063525775.db2.gz DIFYPJGFEWCVAJ-MOPGFXCFSA-N 1 0 467.680 2.696 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 ZINC001295492448 1063525860 /nfs/dbraw/zinc/52/58/60/1063525860.db2.gz BMAQPTYCFHEAEL-VXKWHMMOSA-N 1 0 454.619 2.635 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 ZINC001295492495 1063526383 /nfs/dbraw/zinc/52/63/83/1063526383.db2.gz BPOYUMUAQPKOAL-HSZRJFAPSA-N 1 0 468.646 2.852 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC001295493297 1063526887 /nfs/dbraw/zinc/52/68/87/1063526887.db2.gz HCHGNZWJKLPXAF-UHFFFAOYSA-N 1 0 497.669 2.702 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 ZINC001295493114 1063526934 /nfs/dbraw/zinc/52/69/34/1063526934.db2.gz LXLBTVNVEOQFEY-FCHUYYIVSA-N 1 0 454.619 2.982 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(F)c2F)CC1 ZINC001295493302 1063527408 /nfs/dbraw/zinc/52/74/08/1063527408.db2.gz HFHPQEGJEHAUOR-HXUWFJFHSA-N 1 0 476.572 2.641 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(C)=O)C2)c1 ZINC001295493516 1063527764 /nfs/dbraw/zinc/52/77/64/1063527764.db2.gz QUMVJOSNFWPHLS-QHCPKHFHSA-N 1 0 481.645 2.509 20 0 JFADRO C[C@H]1CN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCOCC[NH+](C)C)CCCO1 ZINC001291249895 1063527889 /nfs/dbraw/zinc/52/78/89/1063527889.db2.gz LAVIAJMZPULZAT-IBGZPJMESA-N 1 0 480.654 2.586 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 ZINC001295494237 1063528742 /nfs/dbraw/zinc/52/87/42/1063528742.db2.gz MMQFSMJUFLWXLZ-YADHBBJMSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)cc1 ZINC001295494661 1063529839 /nfs/dbraw/zinc/52/98/39/1063529839.db2.gz RZFVOLIMRARGPB-NFBKMPQASA-N 1 0 495.672 2.812 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CC(N)=O)C2)cc1 ZINC001295494536 1063529856 /nfs/dbraw/zinc/52/98/56/1063529856.db2.gz QVRKVISJSPDZOR-OAQYLSRUSA-N 1 0 462.602 2.717 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC001295494535 1063529890 /nfs/dbraw/zinc/52/98/90/1063529890.db2.gz QVRKVISJSPDZOR-NRFANRHFSA-N 1 0 462.602 2.717 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC001295494608 1063529977 /nfs/dbraw/zinc/52/99/77/1063529977.db2.gz RDPYBGYRRQAKIN-NRFANRHFSA-N 1 0 468.627 2.854 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](C)O[C@H](COC)C2)cc1 ZINC001295495019 1063530953 /nfs/dbraw/zinc/53/09/53/1063530953.db2.gz YAGHQXGGEFWZEZ-UGKGYDQZSA-N 1 0 465.602 2.865 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@H](COC)O[C@@H](C)C2)cc1 ZINC001295495018 1063530991 /nfs/dbraw/zinc/53/09/91/1063530991.db2.gz YAGHQXGGEFWZEZ-SIKLNZKXSA-N 1 0 465.602 2.865 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295500850 1063534317 /nfs/dbraw/zinc/53/43/17/1063534317.db2.gz SJVLRSCHPMHVPD-JQVVWYNYSA-N 1 0 475.659 2.684 20 0 JFADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001291253147 1063535208 /nfs/dbraw/zinc/53/52/08/1063535208.db2.gz DSTMRLGBPMIMJN-UYAOXDASSA-N 1 0 461.632 2.698 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295501987 1063535862 /nfs/dbraw/zinc/53/58/62/1063535862.db2.gz AOBXVDGXEHABTC-UHFFFAOYSA-N 1 0 450.591 2.625 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnc(C)s2)C1 ZINC001295502956 1063537521 /nfs/dbraw/zinc/53/75/21/1063537521.db2.gz IGQUYKIKWFEDEX-QGZVFWFLSA-N 1 0 454.604 2.907 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295502851 1063537642 /nfs/dbraw/zinc/53/76/42/1063537642.db2.gz JDWDIUFUUNQKLF-NRFANRHFSA-N 1 0 467.662 2.610 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC)C1 ZINC001295503802 1063538966 /nfs/dbraw/zinc/53/89/66/1063538966.db2.gz OCXGGOKWRWSBEF-HXUWFJFHSA-N 1 0 454.619 2.934 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291254161 1063539039 /nfs/dbraw/zinc/53/90/39/1063539039.db2.gz QNVDXHFNXFAPQV-KURKYZTESA-N 1 0 493.596 2.602 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 ZINC001295503841 1063539491 /nfs/dbraw/zinc/53/94/91/1063539491.db2.gz PKDUTEYLEYMOIQ-FCHUYYIVSA-N 1 0 475.659 2.686 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001295504599 1063540435 /nfs/dbraw/zinc/54/04/35/1063540435.db2.gz VFDPYMZMNBSXLX-HXUWFJFHSA-N 1 0 469.634 2.840 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295504545 1063540445 /nfs/dbraw/zinc/54/04/45/1063540445.db2.gz UCBKGAWCYGTTDQ-ZBLYBZFDSA-N 1 0 498.672 2.876 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001291254954 1063541842 /nfs/dbraw/zinc/54/18/42/1063541842.db2.gz BCHQETDUYOHYHY-VAMGGRTRSA-N 1 0 478.638 2.686 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC001291254953 1063541912 /nfs/dbraw/zinc/54/19/12/1063541912.db2.gz BCHQETDUYOHYHY-HSALFYBXSA-N 1 0 478.638 2.686 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001295505810 1063542475 /nfs/dbraw/zinc/54/24/75/1063542475.db2.gz INTVOFDTNPLDPO-INIZCTEOSA-N 1 0 467.039 2.739 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C1 ZINC001295505598 1063542503 /nfs/dbraw/zinc/54/25/03/1063542503.db2.gz FSXPMQFCIANAJD-AWEZNQCLSA-N 1 0 455.941 2.543 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)C1 ZINC001295509348 1063544684 /nfs/dbraw/zinc/54/46/84/1063544684.db2.gz VFZBJBHJTLGSET-QZTJIDSGSA-N 1 0 494.482 2.925 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001295511058 1063545724 /nfs/dbraw/zinc/54/57/24/1063545724.db2.gz AOEAAXHVNJOIBF-HXUWFJFHSA-N 1 0 450.591 2.853 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001295511807 1063546951 /nfs/dbraw/zinc/54/69/51/1063546951.db2.gz NOKKBTNUJGVKTN-FQEVSTJZSA-N 1 0 468.627 2.982 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)C1 ZINC001295514568 1063548467 /nfs/dbraw/zinc/54/84/67/1063548467.db2.gz AOQFCGGTKIRKNG-RTBURBONSA-N 1 0 450.628 2.865 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001295514540 1063548492 /nfs/dbraw/zinc/54/84/92/1063548492.db2.gz AEOZDEDCQKVKAI-UXHICEINSA-N 1 0 460.648 2.784 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 ZINC001295515031 1063548979 /nfs/dbraw/zinc/54/89/79/1063548979.db2.gz CYDRMROTPVLTMO-MJGOQNOKSA-N 1 0 458.573 2.977 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001295515712 1063549959 /nfs/dbraw/zinc/54/99/59/1063549959.db2.gz FJKAOKSONZHVAS-UNMCSNQZSA-N 1 0 454.619 2.700 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001291256730 1063549994 /nfs/dbraw/zinc/54/99/94/1063549994.db2.gz YRVRBTZWQDMXOA-NHCUHLMSSA-N 1 0 498.738 2.992 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001295516012 1063550014 /nfs/dbraw/zinc/55/00/14/1063550014.db2.gz DVEGLNOEPRZXRD-SSTJLMRISA-N 1 0 467.680 2.552 20 0 JFADRO CC(C)NS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001291258455 1063550966 /nfs/dbraw/zinc/55/09/66/1063550966.db2.gz BQGUSVFYXVEYQE-SFHVURJKSA-N 1 0 454.685 2.505 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)C1 ZINC001295516366 1063552454 /nfs/dbraw/zinc/55/24/54/1063552454.db2.gz HKPLGMCLPVDDNS-UXHICEINSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001295517647 1063553945 /nfs/dbraw/zinc/55/39/45/1063553945.db2.gz PLSFXOQXNWKDOI-QZTJIDSGSA-N 1 0 477.654 2.701 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 ZINC001295517654 1063553980 /nfs/dbraw/zinc/55/39/80/1063553980.db2.gz MFMHDJRBBQAJEJ-RBUKOAKNSA-N 1 0 451.662 2.653 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 ZINC001295520257 1063556204 /nfs/dbraw/zinc/55/62/04/1063556204.db2.gz UKUPFYNURVMEPW-RBBKRZOGSA-N 1 0 490.674 2.644 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCOCC2(C)C)C1 ZINC001295520177 1063556243 /nfs/dbraw/zinc/55/62/43/1063556243.db2.gz TTWHVAQHLDVLBQ-HXUWFJFHSA-N 1 0 475.707 2.913 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001295520709 1063556977 /nfs/dbraw/zinc/55/69/77/1063556977.db2.gz UYGOLCLVJZIRDW-GOSISDBHSA-N 1 0 483.567 2.857 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001295521344 1063558706 /nfs/dbraw/zinc/55/87/06/1063558706.db2.gz BTTRMGWNGWXBQY-UHFFFAOYSA-N 1 0 478.588 2.914 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC001295521843 1063559180 /nfs/dbraw/zinc/55/91/80/1063559180.db2.gz HEKQCWQPUNSUOI-QFIPXVFZSA-N 1 0 454.619 2.694 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001295522515 1063559263 /nfs/dbraw/zinc/55/92/63/1063559263.db2.gz KRUZEZFCBGHKOA-OAQYLSRUSA-N 1 0 491.706 2.665 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)C1 ZINC001295523127 1063559942 /nfs/dbraw/zinc/55/99/42/1063559942.db2.gz OSNUROQMORSSOX-OALUTQOASA-N 1 0 477.654 2.606 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001295523872 1063561037 /nfs/dbraw/zinc/56/10/37/1063561037.db2.gz AWSJMWMKSXXAEG-FQEVSTJZSA-N 1 0 455.607 2.910 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001295524442 1063562197 /nfs/dbraw/zinc/56/21/97/1063562197.db2.gz LINVUIHDXWPZPU-AWEZNQCLSA-N 1 0 453.385 2.767 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001291265036 1063565249 /nfs/dbraw/zinc/56/52/49/1063565249.db2.gz MRKGYVNEBCZKFK-GOSISDBHSA-N 1 0 451.541 2.823 20 0 JFADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291265139 1063565294 /nfs/dbraw/zinc/56/52/94/1063565294.db2.gz OXCBSEDQJABUQF-ICSRJNTNSA-N 1 0 457.623 2.954 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 ZINC001295527363 1063565295 /nfs/dbraw/zinc/56/52/95/1063565295.db2.gz IRCNZWJRMLLFJN-UHFFFAOYSA-N 1 0 490.674 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001295528720 1063566368 /nfs/dbraw/zinc/56/63/68/1063566368.db2.gz SVRNVMXCYYVFGY-FQEVSTJZSA-N 1 0 493.450 2.781 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001295528771 1063566399 /nfs/dbraw/zinc/56/63/99/1063566399.db2.gz UZJHMXJIJZABMN-SFHVURJKSA-N 1 0 450.990 2.990 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001295529290 1063566741 /nfs/dbraw/zinc/56/67/41/1063566741.db2.gz ZAQZKRGMBRDIAB-UHFFFAOYSA-N 1 0 498.035 2.546 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295531139 1063568313 /nfs/dbraw/zinc/56/83/13/1063568313.db2.gz RMWLSOLFPFUVPD-GHTZIAJQSA-N 1 0 470.618 2.751 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001295532084 1063568839 /nfs/dbraw/zinc/56/88/39/1063568839.db2.gz BENOOSGRMZBPIF-RUZDIDTESA-N 1 0 464.618 2.825 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC(COC)CC1 ZINC001295534291 1063571608 /nfs/dbraw/zinc/57/16/08/1063571608.db2.gz MOMZUKZTLYTION-UHFFFAOYSA-N 1 0 467.618 2.787 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001295538008 1063573267 /nfs/dbraw/zinc/57/32/67/1063573267.db2.gz AGPWJUSBJWXJSQ-UHFFFAOYSA-N 1 0 451.575 2.551 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001295538133 1063573564 /nfs/dbraw/zinc/57/35/64/1063573564.db2.gz CQUIOKXTZKOHSK-XMMPIXPASA-N 1 0 490.674 2.776 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001295538743 1063574096 /nfs/dbraw/zinc/57/40/96/1063574096.db2.gz IDUWSHKNBRBORH-UHFFFAOYSA-N 1 0 474.675 2.934 20 0 JFADRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001295540942 1063575598 /nfs/dbraw/zinc/57/55/98/1063575598.db2.gz GDYXKCWZYSWTDX-IBGZPJMESA-N 1 0 491.681 2.791 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001295540734 1063575654 /nfs/dbraw/zinc/57/56/54/1063575654.db2.gz CTZUCDHJXQDNQP-KRWDZBQOSA-N 1 0 467.039 2.523 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001295544525 1063579375 /nfs/dbraw/zinc/57/93/75/1063579375.db2.gz MAGDBZMFDTYGMQ-YLJYHZDGSA-N 1 0 458.582 2.850 20 0 JFADRO CC[NH+](CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001295544800 1063579809 /nfs/dbraw/zinc/57/98/09/1063579809.db2.gz PPGPWNRGOBFUHQ-UHFFFAOYSA-N 1 0 458.529 2.571 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001295544590 1063579864 /nfs/dbraw/zinc/57/98/64/1063579864.db2.gz OCVQDYLHUSRBQX-QGZVFWFLSA-N 1 0 462.982 2.598 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001295544589 1063579912 /nfs/dbraw/zinc/57/99/12/1063579912.db2.gz OCVQDYLHUSRBQX-KRWDZBQOSA-N 1 0 462.982 2.598 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001295545511 1063580809 /nfs/dbraw/zinc/58/08/09/1063580809.db2.gz UFRBQLYFKYOQOJ-UHFFFAOYSA-N 1 0 475.638 2.835 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295546574 1063581797 /nfs/dbraw/zinc/58/17/97/1063581797.db2.gz ZWXDPWYHVBYPDQ-OALUTQOASA-N 1 0 498.694 2.705 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295550981 1063583732 /nfs/dbraw/zinc/58/37/32/1063583732.db2.gz PHJAPZCDWJTETO-ZZLPTCMGSA-N 1 0 490.693 2.612 20 0 JFADRO C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001291275765 1063584484 /nfs/dbraw/zinc/58/44/84/1063584484.db2.gz YVOGMUOZLLWWMZ-GGAORHGYSA-N 1 0 468.646 2.621 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC001295551738 1063584681 /nfs/dbraw/zinc/58/46/81/1063584681.db2.gz VBKHJNGGHBCJRH-LMMKCTJWSA-N 1 0 466.627 2.752 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCC[NH+]2CCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291276127 1063584883 /nfs/dbraw/zinc/58/48/83/1063584883.db2.gz GTPGCTQRTKDTBM-MSOLQXFVSA-N 1 0 472.556 2.823 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001295552237 1063585499 /nfs/dbraw/zinc/58/54/99/1063585499.db2.gz ZNJWDVYLALCEMB-NVXWUHKLSA-N 1 0 483.708 2.768 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001295552235 1063585564 /nfs/dbraw/zinc/58/55/64/1063585564.db2.gz ZMVMIYNPXOVTLQ-QUCCMNQESA-N 1 0 493.649 2.801 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001295554711 1063588949 /nfs/dbraw/zinc/58/89/49/1063588949.db2.gz DYXWQLMLRCSWMO-PBHICJAKSA-N 1 0 466.428 2.871 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001295554479 1063588963 /nfs/dbraw/zinc/58/89/63/1063588963.db2.gz CHIJQDLPFBEKJK-ZBFHGGJFSA-N 1 0 494.413 2.791 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001295559108 1063591407 /nfs/dbraw/zinc/59/14/07/1063591407.db2.gz CEJLMBFRJJIYDT-HXUWFJFHSA-N 1 0 471.625 2.559 20 0 JFADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OCC[NH+](C)C)CCCO1 ZINC001291277528 1063591876 /nfs/dbraw/zinc/59/18/76/1063591876.db2.gz FNHOCUFUUQKRGZ-LJQANCHMSA-N 1 0 498.653 2.874 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295559485 1063592446 /nfs/dbraw/zinc/59/24/46/1063592446.db2.gz IQANUSFVGIORPL-SJORKVTESA-N 1 0 489.621 2.840 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@H]1CCSC1 ZINC001295559948 1063592967 /nfs/dbraw/zinc/59/29/67/1063592967.db2.gz OITHHTUUQZONQO-SJORKVTESA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC001295560387 1063593462 /nfs/dbraw/zinc/59/34/62/1063593462.db2.gz SSTXXFCOLKJNJQ-LJQANCHMSA-N 1 0 452.582 2.927 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC001295560782 1063594429 /nfs/dbraw/zinc/59/44/29/1063594429.db2.gz NTAWQEDJSUCILI-HXUWFJFHSA-N 1 0 494.619 2.970 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001295562730 1063595415 /nfs/dbraw/zinc/59/54/15/1063595415.db2.gz DTJFSCNWTCELBR-YLJYHZDGSA-N 1 0 457.598 2.779 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001295562898 1063595987 /nfs/dbraw/zinc/59/59/87/1063595987.db2.gz IMTCMMOBJTXWEL-HSALFYBXSA-N 1 0 492.665 2.765 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001295562896 1063596026 /nfs/dbraw/zinc/59/60/26/1063596026.db2.gz IMTCMMOBJTXWEL-AABGKKOBSA-N 1 0 492.665 2.765 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001295564231 1063597391 /nfs/dbraw/zinc/59/73/91/1063597391.db2.gz SDJKCJWGZGDCNM-YADHBBJMSA-N 1 0 488.702 2.854 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001295564350 1063597982 /nfs/dbraw/zinc/59/79/82/1063597982.db2.gz UPRKQGGUGSOQOI-IFMALSPDSA-N 1 0 458.626 2.897 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295564936 1063598339 /nfs/dbraw/zinc/59/83/39/1063598339.db2.gz FKUXTRXFUOGIFS-HKBOAZHASA-N 1 0 461.655 2.832 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCOCC1 ZINC001295565506 1063598902 /nfs/dbraw/zinc/59/89/02/1063598902.db2.gz KGLFBEJDRJXNPA-GOSISDBHSA-N 1 0 450.628 2.960 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001291280296 1063602522 /nfs/dbraw/zinc/60/25/22/1063602522.db2.gz DCYHWJPPUJACEU-ICSRJNTNSA-N 1 0 464.010 2.973 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001295572583 1063610047 /nfs/dbraw/zinc/61/00/47/1063610047.db2.gz KPDQLNWTLRUSFY-SYYKKAFVSA-N 1 0 486.665 2.514 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCSCC1 ZINC001295577988 1063616369 /nfs/dbraw/zinc/61/63/69/1063616369.db2.gz AJEOGYAFCJMOPY-GOSISDBHSA-N 1 0 450.559 2.583 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC(=O)N1C ZINC001291284000 1063622153 /nfs/dbraw/zinc/62/21/53/1063622153.db2.gz QYRKFLMYBPFXML-DCXXXQMHSA-N 1 0 458.607 2.760 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(-c2cnn(C)c2)n1CC[N@@H+]1CCC[C@H]1C ZINC001295582714 1063625784 /nfs/dbraw/zinc/62/57/84/1063625784.db2.gz CNHNAECPZDKXGG-LJQANCHMSA-N 1 0 464.618 2.891 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001291285322 1063626032 /nfs/dbraw/zinc/62/60/32/1063626032.db2.gz OXSCKSAYFJHBRA-DXBBTUNJSA-N 1 0 490.693 2.755 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCCCC1 ZINC001295592971 1063637322 /nfs/dbraw/zinc/63/73/22/1063637322.db2.gz FMPYVNPKQQAYMT-KRWDZBQOSA-N 1 0 452.600 2.540 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295595931 1063640834 /nfs/dbraw/zinc/64/08/34/1063640834.db2.gz VZQWKQRONJCHQD-RBBKRZOGSA-N 1 0 472.609 2.890 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC001291287639 1063641368 /nfs/dbraw/zinc/64/13/68/1063641368.db2.gz FXGRXGRSBJOHIO-PKOBYXMFSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287915 1063644248 /nfs/dbraw/zinc/64/42/48/1063644248.db2.gz JXTLPIHQPINQSU-RDGPPVDQSA-N 1 0 491.036 2.882 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 ZINC001291288118 1063646475 /nfs/dbraw/zinc/64/64/75/1063646475.db2.gz NGMSYKCDYSTNFP-BXKMTCNYSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@]3(CC=CCC3)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288150 1063646578 /nfs/dbraw/zinc/64/65/78/1063646578.db2.gz NTGWHTNDJQXWIL-SEDAZVQISA-N 1 0 494.706 2.714 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001295603686 1063648150 /nfs/dbraw/zinc/64/81/50/1063648150.db2.gz MWHPPVXDKDOFKD-LJQANCHMSA-N 1 0 463.648 2.803 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288724 1063651353 /nfs/dbraw/zinc/65/13/53/1063651353.db2.gz XTZIBOUMBURIJV-MJGOQNOKSA-N 1 0 480.535 2.561 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F ZINC001291288723 1063651521 /nfs/dbraw/zinc/65/15/21/1063651521.db2.gz XTZIBOUMBURIJV-IEBWSBKVSA-N 1 0 480.535 2.561 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001291288753 1063652491 /nfs/dbraw/zinc/65/24/91/1063652491.db2.gz XYYAGBLOUDKJNA-RTBURBONSA-N 1 0 458.582 2.789 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 ZINC001291289401 1063656321 /nfs/dbraw/zinc/65/63/21/1063656321.db2.gz JAOJLLBKRFGLQF-QZTJIDSGSA-N 1 0 476.025 2.586 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CCCO1 ZINC001291289402 1063656424 /nfs/dbraw/zinc/65/64/24/1063656424.db2.gz JAOJLLBKRFGLQF-ROUUACIJSA-N 1 0 476.025 2.586 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291289542 1063657441 /nfs/dbraw/zinc/65/74/41/1063657441.db2.gz MBUHOKLVPIHYFU-OALUTQOASA-N 1 0 454.619 2.678 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291261 1063668268 /nfs/dbraw/zinc/66/82/68/1063668268.db2.gz MHZGZFRMHXJYOX-KAOXLYBCSA-N 1 0 490.693 2.660 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cnccn3)nnc2N(C)CCOc2ccccc2)C[C@@H](C)O1 ZINC001291291304 1063668451 /nfs/dbraw/zinc/66/84/51/1063668451.db2.gz MXIHISXVALFSRO-WOJBJXKFSA-N 1 0 451.575 2.750 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001291291320 1063669144 /nfs/dbraw/zinc/66/91/44/1063669144.db2.gz NCEVPQXFHRIROC-FUHIMQAGSA-N 1 0 492.571 2.966 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291754 1063670872 /nfs/dbraw/zinc/67/08/72/1063670872.db2.gz UFRRBFIYCAFKNQ-NJDAHSKKSA-N 1 0 492.665 2.776 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291788 1063671889 /nfs/dbraw/zinc/67/18/89/1063671889.db2.gz UYFRDQOPGVFOJF-FPOVZHCZSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292081 1063673502 /nfs/dbraw/zinc/67/35/02/1063673502.db2.gz YQFQZSZZRHJFFT-MOPGFXCFSA-N 1 0 474.572 2.705 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292586 1063676935 /nfs/dbraw/zinc/67/69/35/1063676935.db2.gz GOJUDUQQXWMBTA-XPWALMASSA-N 1 0 497.688 2.752 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292588 1063677037 /nfs/dbraw/zinc/67/70/37/1063677037.db2.gz GOJUDUQQXWMBTA-ZRBLBEILSA-N 1 0 497.688 2.752 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291292765 1063678235 /nfs/dbraw/zinc/67/82/35/1063678235.db2.gz JHDLMIULCRJQJC-GBESFXJTSA-N 1 0 491.036 2.677 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292739 1063678373 /nfs/dbraw/zinc/67/83/73/1063678373.db2.gz ISALJYWFJBFCLG-FUPPJEDESA-N 1 0 483.661 2.504 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001295635033 1063678333 /nfs/dbraw/zinc/67/83/33/1063678333.db2.gz BYLXCUIAZNEUDI-WMZOPIPTSA-N 1 0 466.677 2.993 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H]2CCSC2)C[C@H](C)O1 ZINC001291292913 1063680132 /nfs/dbraw/zinc/68/01/32/1063680132.db2.gz LTQHUYMOONODAE-KSZLIROESA-N 1 0 478.688 2.711 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC001291293152 1063682733 /nfs/dbraw/zinc/68/27/33/1063682733.db2.gz PPXKDDBIWABCEK-XSYGEPLQSA-N 1 0 482.551 2.919 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CC3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291293337 1063684256 /nfs/dbraw/zinc/68/42/56/1063684256.db2.gz SVYFRDRLKOXXTN-QWFCFKBJSA-N 1 0 462.639 2.833 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001291293426 1063684575 /nfs/dbraw/zinc/68/45/75/1063684575.db2.gz UTVVVWIPGCWVFH-MQSCRBSSSA-N 1 0 468.646 2.654 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001291293555 1063685347 /nfs/dbraw/zinc/68/53/47/1063685347.db2.gz WHJKBJDOGZIWHR-ZJPYXAASSA-N 1 0 472.556 2.534 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291293786 1063686176 /nfs/dbraw/zinc/68/61/76/1063686176.db2.gz ZLYVKSZXIFAXJX-YADHBBJMSA-N 1 0 468.646 2.621 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[NH+]1CCCCCC1 ZINC001295649455 1063691478 /nfs/dbraw/zinc/69/14/78/1063691478.db2.gz AVAFZBQAPMUHNS-XMMPIXPASA-N 1 0 459.639 2.955 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)C[C@@H](C)O1 ZINC001291294886 1063692625 /nfs/dbraw/zinc/69/26/25/1063692625.db2.gz QVYNLCHAFMBKRL-RTBURBONSA-N 1 0 496.578 2.883 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 ZINC001291295291 1063694372 /nfs/dbraw/zinc/69/43/72/1063694372.db2.gz XDZLLBUOPNQLBL-LUBSMZHTSA-N 1 0 490.693 2.788 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C ZINC001291295455 1063695736 /nfs/dbraw/zinc/69/57/36/1063695736.db2.gz ZHPYQDWSFFNVKW-QUCCMNQESA-N 1 0 490.674 2.683 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)(C)C ZINC001291295456 1063695812 /nfs/dbraw/zinc/69/58/12/1063695812.db2.gz ZHPYQDWSFFNVKW-UYAOXDASSA-N 1 0 490.674 2.683 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295468 1063695830 /nfs/dbraw/zinc/69/58/30/1063695830.db2.gz ZJMPDYFRZQONED-SJORKVTESA-N 1 0 464.408 2.780 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2ccccn2)n1CCCN(C)CC(F)(F)F ZINC001291297389 1063698592 /nfs/dbraw/zinc/69/85/92/1063698592.db2.gz YTVWNKAFFAAQSK-HKUYNNGSSA-N 1 0 451.541 2.821 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001295658930 1063700571 /nfs/dbraw/zinc/70/05/71/1063700571.db2.gz XRNWDINGYBKHHO-WOJBJXKFSA-N 1 0 451.633 2.504 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001295659493 1063701058 /nfs/dbraw/zinc/70/10/58/1063701058.db2.gz DQDJPHRSDRVZKA-FQEVSTJZSA-N 1 0 452.607 2.909 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001295663109 1063705845 /nfs/dbraw/zinc/70/58/45/1063705845.db2.gz XKCZRIUKNRVCOE-IBGZPJMESA-N 1 0 455.582 2.736 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC[NH+]1CCOCC1 ZINC001291302062 1063711333 /nfs/dbraw/zinc/71/13/33/1063711333.db2.gz PJXLSVJQPYUWOS-QGZVFWFLSA-N 1 0 451.518 2.884 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC[C@@H]1C)C(C)C ZINC001291302811 1063712277 /nfs/dbraw/zinc/71/22/77/1063712277.db2.gz GRTOHEAAWDBQRF-IBGZPJMESA-N 1 0 467.618 2.926 20 0 JFADRO C[C@@H]1COCCN1c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001291305271 1063715853 /nfs/dbraw/zinc/71/58/53/1063715853.db2.gz ZWTOMALXPSZLHL-QUCCMNQESA-N 1 0 478.638 2.686 20 0 JFADRO CCN(CC1CC1)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC[N@@H+]1CC ZINC001295680064 1063717280 /nfs/dbraw/zinc/71/72/80/1063717280.db2.gz WMYJAHBETXVPMN-HXUWFJFHSA-N 1 0 460.648 2.916 20 0 JFADRO CCN(CC1CC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001295694397 1063723615 /nfs/dbraw/zinc/72/36/15/1063723615.db2.gz SSZTWHJSRAGKCT-NRFANRHFSA-N 1 0 492.665 2.935 20 0 JFADRO CCN(CC1CC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCC[NH+]1CCOCC1 ZINC001295694398 1063723776 /nfs/dbraw/zinc/72/37/76/1063723776.db2.gz SSZTWHJSRAGKCT-OAQYLSRUSA-N 1 0 492.665 2.935 20 0 JFADRO CCN(CC1CCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001295710708 1063730208 /nfs/dbraw/zinc/73/02/08/1063730208.db2.gz SZQLVTKMCLPJHJ-HXUWFJFHSA-N 1 0 482.695 2.502 20 0 JFADRO C[C@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001291308609 1063731286 /nfs/dbraw/zinc/73/12/86/1063731286.db2.gz PVLCKUXLJMNFFA-DEOSSOPVSA-N 1 0 497.732 2.841 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C1CC1)[NH+](C)C ZINC001295733560 1063744091 /nfs/dbraw/zinc/74/40/91/1063744091.db2.gz DJWSQTMDVRBCAT-ACRUOGEOSA-N 1 0 492.665 2.932 20 0 JFADRO C[C@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291314328 1063746656 /nfs/dbraw/zinc/74/66/56/1063746656.db2.gz ZAYLSJPZSSATPE-PKOBYXMFSA-N 1 0 462.689 2.815 20 0 JFADRO C[C@@H]1CSCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCCCCO ZINC001291314852 1063747745 /nfs/dbraw/zinc/74/77/45/1063747745.db2.gz KRPBRUNVEZUYHV-OAQYLSRUSA-N 1 0 458.676 2.747 20 0 JFADRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001295741216 1063749166 /nfs/dbraw/zinc/74/91/66/1063749166.db2.gz XYWWQPVIEWUSPU-ZRBLBEILSA-N 1 0 457.615 2.745 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([NH+](C)C)CCC2)C1)CC(F)(F)F ZINC001295748260 1063753452 /nfs/dbraw/zinc/75/34/52/1063753452.db2.gz KHRONAZSOHRLDA-SFHVURJKSA-N 1 0 485.599 2.709 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C[NH+](C)C ZINC001295750173 1063757031 /nfs/dbraw/zinc/75/70/31/1063757031.db2.gz UJGTZKCSMNSGOJ-NRFANRHFSA-N 1 0 482.677 2.955 20 0 JFADRO C[C@H]1OCC[C@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291320841 1063760884 /nfs/dbraw/zinc/76/08/84/1063760884.db2.gz BIBWANWBPOOHNH-VFNWGFHPSA-N 1 0 481.439 2.886 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001295758991 1063762639 /nfs/dbraw/zinc/76/26/39/1063762639.db2.gz BEYQPGGYXCDPSR-MOPGFXCFSA-N 1 0 458.573 2.978 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CC[N@H+](C)C2)C1)CC(F)(F)F ZINC001295758740 1063762796 /nfs/dbraw/zinc/76/27/96/1063762796.db2.gz AFDVZJAADNGNKY-RDPSFJRHSA-N 1 0 494.606 2.954 20 0 JFADRO CCN(CC1CCN(c2nnc(C3CC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001295763818 1063769939 /nfs/dbraw/zinc/76/99/39/1063769939.db2.gz PWGJLVSYDJIOAB-DEOSSOPVSA-N 1 0 462.639 2.696 20 0 JFADRO C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(Br)c3)n1CCOCC[NH+](C)C)CCO2 ZINC001291325183 1063774192 /nfs/dbraw/zinc/77/41/92/1063774192.db2.gz FVEKHHPREGQBQX-HTAPYJJXSA-N 1 0 494.434 2.670 20 0 JFADRO C[C@H]1SCCN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCOCC2)[C@@H]1C ZINC001291333342 1063789049 /nfs/dbraw/zinc/78/90/49/1063789049.db2.gz JKSVWIRIWNTXEP-IAGOWNOFSA-N 1 0 478.688 2.711 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC001291334644 1063792448 /nfs/dbraw/zinc/79/24/48/1063792448.db2.gz CBFAVWIJRWYZNQ-OUDXUNEISA-N 1 0 496.660 2.931 20 0 JFADRO CCN(CCCn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccccc2)CC1)S(C)(=O)=O ZINC001295805615 1063795382 /nfs/dbraw/zinc/79/53/82/1063795382.db2.gz BRPBNWZJEZXSKU-UHFFFAOYSA-N 1 0 462.664 2.785 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)CCOC)C1 ZINC001291336322 1063799342 /nfs/dbraw/zinc/79/93/42/1063799342.db2.gz GLAUAGXTPKOSKJ-LJQANCHMSA-N 1 0 493.450 2.781 20 0 JFADRO CCN(CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[NH+](C(C)C)CC1)S(C)(=O)=O ZINC001295806821 1063799790 /nfs/dbraw/zinc/79/97/90/1063799790.db2.gz TYUDDHSOALVLLB-UHFFFAOYSA-N 1 0 499.081 2.809 20 0 JFADRO CCN(CCCn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C)S(C)(=O)=O ZINC001295809695 1063803703 /nfs/dbraw/zinc/80/37/03/1063803703.db2.gz HDWIFGMUVOZUQQ-HXUWFJFHSA-N 1 0 485.658 2.656 20 0 JFADRO CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)S(C)(=O)=O ZINC001295811406 1063810213 /nfs/dbraw/zinc/81/02/13/1063810213.db2.gz VEQMJAMZDIATHO-LZBANZJXSA-N 1 0 496.722 2.892 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)CCOC)C1 ZINC001291339283 1063811796 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/nfs/dbraw/zinc/86/02/79/1063860279.db2.gz MHUUMJGNUNWITF-HXUWFJFHSA-N 1 0 482.695 2.502 20 0 JFADRO CCN(CCn1c(-c2cnccn2)nnc1N1CC[NH+](C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001295841551 1063861083 /nfs/dbraw/zinc/86/10/83/1063861083.db2.gz JHIYEOYHEJRDNP-UHFFFAOYSA-N 1 0 458.611 2.913 20 0 JFADRO CC[N@H+](CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](COC)C1)C(C)C ZINC001295842296 1063862073 /nfs/dbraw/zinc/86/20/73/1063862073.db2.gz UYYRMHYKVAHPGP-JOCHJYFZSA-N 1 0 453.591 2.713 20 0 JFADRO CCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291356278 1063862813 /nfs/dbraw/zinc/86/28/13/1063862813.db2.gz VCAKBBKIMSXYID-UHFFFAOYSA-N 1 0 459.664 2.814 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2)CCC(F)(F)F ZINC001295844906 1063865053 /nfs/dbraw/zinc/86/50/53/1063865053.db2.gz GRSVUJZSIYWUBR-QGZVFWFLSA-N 1 0 488.555 2.625 20 0 JFADRO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291358584 1063865857 /nfs/dbraw/zinc/86/58/57/1063865857.db2.gz PCLKQIMEVDMRBM-YIXXDRMTSA-N 1 0 497.688 2.913 20 0 JFADRO CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291358581 1063865882 /nfs/dbraw/zinc/86/58/82/1063865882.db2.gz PCLKQIMEVDMRBM-HOFKKMOUSA-N 1 0 497.688 2.913 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1)CCC(F)(F)F ZINC001295845152 1063865873 /nfs/dbraw/zinc/86/58/73/1063865873.db2.gz JRYCXZJQJURLJW-QZTJIDSGSA-N 1 0 472.556 2.899 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)C(C)C ZINC001295845279 1063866599 /nfs/dbraw/zinc/86/65/99/1063866599.db2.gz LLNLUFANPFCMKX-NRFANRHFSA-N 1 0 473.666 2.625 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC001295845616 1063867228 /nfs/dbraw/zinc/86/72/28/1063867228.db2.gz QUFNQFNKBMHROV-FGZHOGPDSA-N 1 0 454.619 2.798 20 0 JFADRO CC[N@H+](CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)C(C)C ZINC001295845410 1063867251 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CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C ZINC001295975931 1064020812 /nfs/dbraw/zinc/02/08/12/1064020812.db2.gz HAGSAHQVJDQHNK-PBPSECFOSA-N 1 0 462.545 2.944 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)C[C@H]1C ZINC001295976067 1064021096 /nfs/dbraw/zinc/02/10/96/1064021096.db2.gz CFEHPRSQROAWOK-HSALFYBXSA-N 1 0 488.608 2.725 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1C ZINC001295976221 1064021669 /nfs/dbraw/zinc/02/16/69/1064021669.db2.gz GRPTZJQMUHAZQP-DLBZAZTESA-N 1 0 495.550 2.745 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NCC(F)(F)F)C[C@H]1C ZINC001295976224 1064022177 /nfs/dbraw/zinc/02/21/77/1064022177.db2.gz GRPTZJQMUHAZQP-SJORKVTESA-N 1 0 495.550 2.745 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001295977250 1064022973 /nfs/dbraw/zinc/02/29/73/1064022973.db2.gz NXVULBPQXDITLG-IAGOWNOFSA-N 1 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PRZBTTOQBBNWPV-GBESFXJTSA-N 1 0 487.674 2.840 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@@H]1C ZINC001295980891 1064031404 /nfs/dbraw/zinc/03/14/04/1064031404.db2.gz PYSKXPWXWOBAQX-GBESFXJTSA-N 1 0 492.690 2.794 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccsc2)C[C@H]1C ZINC001295981283 1064031694 /nfs/dbraw/zinc/03/16/94/1064031694.db2.gz RATJUFVLRIMZHR-BZDHPDOMSA-N 1 0 451.637 2.890 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1nccs1 ZINC001291470920 1064032428 /nfs/dbraw/zinc/03/24/28/1064032428.db2.gz XDONRGYMLPMNEU-CMKODMSKSA-N 1 0 459.664 2.870 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(C)CCOCC1 ZINC001291471091 1064033449 /nfs/dbraw/zinc/03/34/49/1064033449.db2.gz YWPJVZTVBLRQJC-JAXLGGSGSA-N 1 0 460.667 2.987 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001295982244 1064034263 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/nfs/dbraw/zinc/03/79/07/1064037907.db2.gz OWEJDVRZEMSQGL-WIYYLYMNSA-N 1 0 499.660 2.628 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@H]1C ZINC001295983541 1064039462 /nfs/dbraw/zinc/03/94/62/1064039462.db2.gz WYZDKVPOABQXJM-HSALFYBXSA-N 1 0 468.606 2.550 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001295984097 1064040692 /nfs/dbraw/zinc/04/06/92/1064040692.db2.gz LCOFTOFIMHDHFX-DLBZAZTESA-N 1 0 458.998 2.692 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@H]1C ZINC001295984246 1064041908 /nfs/dbraw/zinc/04/19/08/1064041908.db2.gz YITHLWMBGBKEHH-SQNIBIBYSA-N 1 0 480.704 2.886 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001295987168 1064042845 /nfs/dbraw/zinc/04/28/45/1064042845.db2.gz YXAMCTFPTYBICI-QZTJIDSGSA-N 1 0 453.591 2.971 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001295989547 1064044442 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1064050231 /nfs/dbraw/zinc/05/02/31/1064050231.db2.gz IULLLQRCFDVLGN-RBUKOAKNSA-N 1 0 451.575 2.728 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001295994746 1064050645 /nfs/dbraw/zinc/05/06/45/1064050645.db2.gz JKARCAZWKWBMAT-BQFCYCMXSA-N 1 0 493.454 2.588 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@H]1C ZINC001295995188 1064051159 /nfs/dbraw/zinc/05/11/59/1064051159.db2.gz XPZYOUDDWQOGLR-HZPDHXFCSA-N 1 0 474.411 2.703 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996168 1064052259 /nfs/dbraw/zinc/05/22/59/1064052259.db2.gz MPDXMUYSAGJQJW-IRXDYDNUSA-N 1 0 469.590 2.672 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001295997741 1064054143 /nfs/dbraw/zinc/05/41/43/1064054143.db2.gz RWGCZHBWZTZPIL-GIYDNNGJSA-N 1 0 475.588 2.729 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1cccc(C(N)=O)c1 ZINC001291503472 1064054489 /nfs/dbraw/zinc/05/44/89/1064054489.db2.gz ZDKPKKFLMOCUPA-LJQANCHMSA-N 1 0 454.619 2.682 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@H]1C ZINC001295998208 1064055136 /nfs/dbraw/zinc/05/51/36/1064055136.db2.gz TYVOJAYHSXMIKY-WOJBJXKFSA-N 1 0 465.602 2.865 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC001295999510 1064056574 /nfs/dbraw/zinc/05/65/74/1064056574.db2.gz BGLMNKSCNVETIZ-QZTJIDSGSA-N 1 0 451.550 2.961 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291506482 1064056873 /nfs/dbraw/zinc/05/68/73/1064056873.db2.gz ABLWSLFFGJFUGS-OALUTQOASA-N 1 0 454.685 2.772 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@H]1C ZINC001296000815 1064057086 /nfs/dbraw/zinc/05/70/86/1064057086.db2.gz FAHNZOCKDNNYPI-WOJBJXKFSA-N 1 0 477.613 2.709 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001296001467 1064057578 /nfs/dbraw/zinc/05/75/78/1064057578.db2.gz IAFUIZRYGXCVGQ-FCHUYYIVSA-N 1 0 467.662 2.744 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058325 /nfs/dbraw/zinc/05/83/25/1064058325.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 1 0 470.662 2.907 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291507734 1064058660 /nfs/dbraw/zinc/05/86/60/1064058660.db2.gz ZHQPYWPRGIWJJU-SFHVURJKSA-N 1 0 462.664 2.762 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291507878 1064058941 /nfs/dbraw/zinc/05/89/41/1064058941.db2.gz BOMQPKBYHLYXIW-ICSRJNTNSA-N 1 0 460.648 2.746 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001291509494 1064060579 /nfs/dbraw/zinc/06/05/79/1064060579.db2.gz FCMHBFNAGPPPSP-REWPJTCUSA-N 1 0 467.662 2.804 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291510069 1064061284 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/nfs/dbraw/zinc/06/18/67/1064061867.db2.gz SUPNSOKPMVHKLB-TZIWHRDSSA-N 1 0 459.683 2.701 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291510345 1064061978 /nfs/dbraw/zinc/06/19/78/1064061978.db2.gz UAGMQCOSPYCJOP-VQTJNVASSA-N 1 0 461.655 2.677 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@@H]1C ZINC001296008828 1064063090 /nfs/dbraw/zinc/06/30/90/1064063090.db2.gz BPOZYDZWJKWIQU-VQTJNVASSA-N 1 0 454.619 2.919 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001296008855 1064063531 /nfs/dbraw/zinc/06/35/31/1064063531.db2.gz BUHCXTQUJKOPIL-UPUUWEMXSA-N 1 0 457.619 2.933 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001296009313 1064063817 /nfs/dbraw/zinc/06/38/17/1064063817.db2.gz JRJJUDHCHHTXOL-FUHIMQAGSA-N 1 0 459.664 2.811 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CCS(=O)(=O)NC(C)C)C[C@@H]1C ZINC001296009476 1064064767 /nfs/dbraw/zinc/06/47/67/1064064767.db2.gz GSINKCPVGOMQQV-LEWJYISDSA-N 1 0 492.690 2.721 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@@H]2COCCO2)C[C@H]1C ZINC001296009567 1064065400 /nfs/dbraw/zinc/06/54/00/1064065400.db2.gz LNYLBQVIKDUMRK-ZRCGQRJVSA-N 1 0 457.619 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296009759 1064066317 /nfs/dbraw/zinc/06/63/17/1064066317.db2.gz MXAZYXZPKWPDPF-FSSWDIPSSA-N 1 0 470.662 2.712 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009915 1064066916 /nfs/dbraw/zinc/06/69/16/1064066916.db2.gz JEKZYPCQEDWJEN-RTWAWAEBSA-N 1 0 484.645 2.675 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296010005 1064067527 /nfs/dbraw/zinc/06/75/27/1064067527.db2.gz JQVQLAADWZVIHE-PMACEKPBSA-N 1 0 474.654 2.973 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296010167 1064068138 /nfs/dbraw/zinc/06/81/38/1064068138.db2.gz PKZCTSCCBMFJFG-WOJBJXKFSA-N 1 0 457.619 2.532 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291514741 1064068377 /nfs/dbraw/zinc/06/83/77/1064068377.db2.gz YJIGWHOQMQSBGI-KRWDZBQOSA-N 1 0 452.669 2.574 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001296010830 1064069575 /nfs/dbraw/zinc/06/95/75/1064069575.db2.gz MJNHCLWDAFNKMR-RBUKOAKNSA-N 1 0 468.577 2.971 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001296011247 1064070653 /nfs/dbraw/zinc/07/06/53/1064070653.db2.gz UNQAELYSLMEFDD-LNLFQRSKSA-N 1 0 458.573 2.803 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1cc(C)[nH+]c(N2CCCC2)c1 ZINC001291519174 1064071547 /nfs/dbraw/zinc/07/15/47/1064071547.db2.gz YVOOFYQYWJIOEV-QGZVFWFLSA-N 1 0 455.607 2.614 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001296012575 1064073543 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CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087094 1064154961 /nfs/dbraw/zinc/15/49/61/1064154961.db2.gz JQPATBYGEIGQQZ-CEWLAPEOSA-N 1 0 490.674 2.891 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001296086931 1064155426 /nfs/dbraw/zinc/15/54/26/1064155426.db2.gz CEUDNGKBVAOKFC-MSOLQXFVSA-N 1 0 458.607 2.655 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@@H](C)C1 ZINC001296087305 1064156157 /nfs/dbraw/zinc/15/61/57/1064156157.db2.gz DTUSPBGVDBVDJY-FPOVZHCZSA-N 1 0 490.674 2.685 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccon1 ZINC001296087354 1064156196 /nfs/dbraw/zinc/15/61/96/1064156196.db2.gz FNRVLDIDAONKCI-LJQANCHMSA-N 1 0 458.588 2.847 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001291619212 1064156808 /nfs/dbraw/zinc/15/68/08/1064156808.db2.gz AFWQYLMKSGXAFB-PMACEKPBSA-N 1 0 473.691 2.900 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296088883 1064158831 /nfs/dbraw/zinc/15/88/31/1064158831.db2.gz NCEXELVNSTXOEP-MJGOQNOKSA-N 1 0 457.575 2.836 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCN1CCOC[C@@H]1C ZINC001291620305 1064159298 /nfs/dbraw/zinc/15/92/98/1064159298.db2.gz INSQYUOXCKAABL-VXKWHMMOSA-N 1 0 461.699 2.507 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN(C)C(=O)C1 ZINC001296088898 1064159448 /nfs/dbraw/zinc/15/94/48/1064159448.db2.gz NRLJQDCGXOQQQG-HXUWFJFHSA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291620863 1064160380 /nfs/dbraw/zinc/16/03/80/1064160380.db2.gz KYDGKYATAFYRDX-NRFANRHFSA-N 1 0 491.750 2.754 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001296089354 1064160465 /nfs/dbraw/zinc/16/04/65/1064160465.db2.gz OXKMCHJFNMHKPI-SFHVURJKSA-N 1 0 482.448 2.817 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(N)=O)c1 ZINC001291621867 1064162391 /nfs/dbraw/zinc/16/23/91/1064162391.db2.gz PZDKPSHMYYMIIN-MOPGFXCFSA-N 1 0 454.619 2.823 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001296091752 1064163018 /nfs/dbraw/zinc/16/30/18/1064163018.db2.gz BPZOVAXPZKOZKT-FPOVZHCZSA-N 1 0 459.664 2.813 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001296091779 1064163088 /nfs/dbraw/zinc/16/30/88/1064163088.db2.gz BVGNLCYEDIGNMG-NHCUHLMSSA-N 1 0 454.619 2.648 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001296092001 1064163633 /nfs/dbraw/zinc/16/36/33/1064163633.db2.gz DVQUVZISISVSTH-FQEVSTJZSA-N 1 0 459.664 2.990 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001296092681 1064165009 /nfs/dbraw/zinc/16/50/09/1064165009.db2.gz JPMQSLUTFJIHHC-CTNGQTDRSA-N 1 0 454.619 2.613 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296093544 1064165655 /nfs/dbraw/zinc/16/56/55/1064165655.db2.gz OUDODCAKMOJWGV-OAQYLSRUSA-N 1 0 492.665 2.648 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296094167 1064166607 /nfs/dbraw/zinc/16/66/07/1064166607.db2.gz VPRSBHRESAHTAS-MZYLBHOOSA-N 1 0 457.619 2.796 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094714 1064167008 /nfs/dbraw/zinc/16/70/08/1064167008.db2.gz DEVOXJJCTRTLHL-VXKWHMMOSA-N 1 0 467.662 2.799 20 0 JFADRO CCN1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1=O ZINC001296096322 1064170060 /nfs/dbraw/zinc/17/00/60/1064170060.db2.gz NOWCSTAXJDOJHC-JOCHJYFZSA-N 1 0 468.646 2.925 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001296098489 1064171807 /nfs/dbraw/zinc/17/18/07/1064171807.db2.gz XYISPDSOKIPFCE-NRFANRHFSA-N 1 0 470.666 2.709 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001296098377 1064171816 /nfs/dbraw/zinc/17/18/16/1064171816.db2.gz XLGSAGGESTXRDY-ZCNNSNEGSA-N 1 0 489.665 2.891 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCOCC[NH+](C)C)CC1=O ZINC001296103247 1064180357 /nfs/dbraw/zinc/18/03/57/1064180357.db2.gz KVEBLWGNOWEADZ-UHFFFAOYSA-N 1 0 493.450 2.653 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC001296103726 1064182296 /nfs/dbraw/zinc/18/22/96/1064182296.db2.gz UYZZTDMYUDZUNM-UHFFFAOYSA-N 1 0 475.037 2.892 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291633234 1064183100 /nfs/dbraw/zinc/18/31/00/1064183100.db2.gz SCCAUDKMKPQDPR-QHCPKHFHSA-N 1 0 481.689 2.962 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[NH+](C(C)C)C(C)C)CC1=O ZINC001296105852 1064184052 /nfs/dbraw/zinc/18/40/52/1064184052.db2.gz MTBWUIAVGRGRKO-UHFFFAOYSA-N 1 0 456.591 2.851 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3OC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC001296106138 1064184533 /nfs/dbraw/zinc/18/45/33/1064184533.db2.gz PEWFVKJVXSJFNA-PMACEKPBSA-N 1 0 470.618 2.512 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCCC2)CC1=O ZINC001296105915 1064184541 /nfs/dbraw/zinc/18/45/41/1064184541.db2.gz OHABKLUNWVVKOA-UHFFFAOYSA-N 1 0 470.618 2.897 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001291638876 1064186050 /nfs/dbraw/zinc/18/60/50/1064186050.db2.gz KBQHOIVRDRZMOU-CTNGQTDRSA-N 1 0 466.696 2.775 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291638954 1064186551 /nfs/dbraw/zinc/18/65/51/1064186551.db2.gz OAVOVHUUABREOJ-SFHVURJKSA-N 1 0 461.680 2.726 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)[NH+](C)C)CC1=O ZINC001296108699 1064187242 /nfs/dbraw/zinc/18/72/42/1064187242.db2.gz LWSIRLVCMBVMPM-OAQYLSRUSA-N 1 0 451.575 2.643 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639696 1064188006 /nfs/dbraw/zinc/18/80/06/1064188006.db2.gz OCCZRUCMYACDPO-RBUKOAKNSA-N 1 0 476.588 2.949 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640265 1064188574 /nfs/dbraw/zinc/18/85/74/1064188574.db2.gz QSCDNXQVLADJOF-YADHBBJMSA-N 1 0 462.683 2.840 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC001296110515 1064189420 /nfs/dbraw/zinc/18/94/20/1064189420.db2.gz MVRPDHCMRUERQE-WOJBJXKFSA-N 1 0 486.636 2.954 20 0 JFADRO CCN1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001296111897 1064192675 /nfs/dbraw/zinc/19/26/75/1064192675.db2.gz GLAYVTYOGWSAJD-QHCPKHFHSA-N 1 0 461.614 2.934 20 0 JFADRO CCN1CCCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1=O ZINC001296112556 1064193759 /nfs/dbraw/zinc/19/37/59/1064193759.db2.gz VEKASTAZTHZTLE-JOCHJYFZSA-N 1 0 470.618 2.567 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001291643398 1064193823 /nfs/dbraw/zinc/19/38/23/1064193823.db2.gz OPLLMMQJIQCFAE-NJYVYQBISA-N 1 0 480.723 2.754 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001291644322 1064197835 /nfs/dbraw/zinc/19/78/35/1064197835.db2.gz OBCWXWCEEVVUAO-DENIHFKCSA-N 1 0 490.674 2.719 20 0 JFADRO CCN1CCCN(c2nnc(CCc3ccccc3)n2CC2(SC)CC[NH+](C)CC2)CC1=O ZINC001296117713 1064198813 /nfs/dbraw/zinc/19/88/13/1064198813.db2.gz VCOPMTLGABZTQS-UHFFFAOYSA-N 1 0 470.687 2.949 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001296118685 1064201464 /nfs/dbraw/zinc/20/14/64/1064201464.db2.gz HBSGATWALGHSKK-OAQYLSRUSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccccc1S(=O)(=O)N(C)C ZINC001291650037 1064203087 /nfs/dbraw/zinc/20/30/87/1064203087.db2.gz PBOIBFMIPPVKNF-AZUAARDMSA-N 1 0 460.648 2.765 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291649905 1064203181 /nfs/dbraw/zinc/20/31/81/1064203181.db2.gz JRJXNWIGUWIMOG-FKBYEOEOSA-N 1 0 475.682 2.875 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001296119552 1064205582 /nfs/dbraw/zinc/20/55/82/1064205582.db2.gz WIXRQZFUYJHVJP-VXKWHMMOSA-N 1 0 497.688 2.616 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2Cc3ccoc3CC(C)(C)C2)CC1 ZINC001296119835 1064206361 /nfs/dbraw/zinc/20/63/61/1064206361.db2.gz BOLSWVUTQWRHMP-IBGZPJMESA-N 1 0 471.650 2.624 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296119856 1064206650 /nfs/dbraw/zinc/20/66/50/1064206650.db2.gz BQUJEYTZECZUPF-ZWKOTPCHSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)OCCOC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296119866 1064206749 /nfs/dbraw/zinc/20/67/49/1064206749.db2.gz BULMQOZRZHGUJV-IYWMVGAKSA-N 1 0 472.625 2.756 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)CCOC)CC1 ZINC001296120054 1064207427 /nfs/dbraw/zinc/20/74/27/1064207427.db2.gz DFZJIOVKQTVGHR-INIZCTEOSA-N 1 0 483.430 2.955 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296120118 1064208332 /nfs/dbraw/zinc/20/83/32/1064208332.db2.gz FDPFJNAHVSPNBC-UXHICEINSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296120541 1064210188 /nfs/dbraw/zinc/21/01/88/1064210188.db2.gz JGGDHSVYSJRWEX-PMACEKPBSA-N 1 0 486.690 2.529 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296120558 1064210659 /nfs/dbraw/zinc/21/06/59/1064210659.db2.gz JLZQRDAGVPVMRL-IPJJNNNSSA-N 1 0 460.598 2.808 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121492 1064212646 /nfs/dbraw/zinc/21/26/46/1064212646.db2.gz PAIKCJQRIRTFAN-SFHVURJKSA-N 1 0 488.587 2.942 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cccc(OC)c3)CC2)CC1 ZINC001296121614 1064213237 /nfs/dbraw/zinc/21/32/37/1064213237.db2.gz QQJRJLDHZNTIRJ-OAQYLSRUSA-N 1 0 455.651 2.763 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001296122057 1064213614 /nfs/dbraw/zinc/21/36/14/1064213614.db2.gz SGGXKMOJFAUGRI-SFHVURJKSA-N 1 0 498.582 2.866 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC2(c3ccccc3)CC2)CC1 ZINC001296122116 1064214116 /nfs/dbraw/zinc/21/41/16/1064214116.db2.gz UCHGXBKODUPFNG-NRFANRHFSA-N 1 0 467.662 2.610 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 ZINC001296122091 1064214160 /nfs/dbraw/zinc/21/41/60/1064214160.db2.gz SPGXVMQCTWSURG-LJQANCHMSA-N 1 0 471.650 2.600 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296122264 1064214251 /nfs/dbraw/zinc/21/42/51/1064214251.db2.gz UXXYOSXIORRAMS-VQTJNVASSA-N 1 0 463.671 2.873 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296122279 1064214625 /nfs/dbraw/zinc/21/46/25/1064214625.db2.gz VBSHEFRSFMWZIB-QGZVFWFLSA-N 1 0 496.006 2.733 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCC(=O)NC)CC1 ZINC001296123902 1064216552 /nfs/dbraw/zinc/21/65/52/1064216552.db2.gz DLKMIIYYEJZFSO-MRXNPFEDSA-N 1 0 482.460 2.850 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001296124456 1064216991 /nfs/dbraw/zinc/21/69/91/1064216991.db2.gz HLFGKTCPLZKQHB-HXUWFJFHSA-N 1 0 481.645 2.963 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](OC)C2)CC1 ZINC001296124789 1064217569 /nfs/dbraw/zinc/21/75/69/1064217569.db2.gz ITHNUTRDLMBZQU-PKOBYXMFSA-N 1 0 463.026 2.858 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCS(=O)(=O)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291685450 1064217523 /nfs/dbraw/zinc/21/75/23/1064217523.db2.gz YBTAGNFLJBPHDK-GOSISDBHSA-N 1 0 455.694 2.778 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296126462 1064220839 /nfs/dbraw/zinc/22/08/39/1064220839.db2.gz QKPMUZBDWAGCID-MOPGFXCFSA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2ccccc2N2CCOCC2)CC1 ZINC001296130107 1064223728 /nfs/dbraw/zinc/22/37/28/1064223728.db2.gz BYYUJECRTULELH-HSZRJFAPSA-N 1 0 483.705 2.976 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1([NH+](C)C)CCOCC1 ZINC001291713705 1064224519 /nfs/dbraw/zinc/22/45/19/1064224519.db2.gz KMHYTEKSMVBOOE-GOSISDBHSA-N 1 0 467.618 2.785 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296131343 1064225451 /nfs/dbraw/zinc/22/54/51/1064225451.db2.gz JTZVXRLLOYWNBE-KRWDZBQOSA-N 1 0 451.063 2.916 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131438 1064225976 /nfs/dbraw/zinc/22/59/76/1064225976.db2.gz KQLOVDNSUQPFKG-RTWAWAEBSA-N 1 0 493.697 2.705 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131731 1064226506 /nfs/dbraw/zinc/22/65/06/1064226506.db2.gz LRABRJZOWDRNAV-HZPDHXFCSA-N 1 0 487.596 2.920 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC001296131730 1064226529 /nfs/dbraw/zinc/22/65/29/1064226529.db2.gz LRABRJZOWDRNAV-HOTGVXAUSA-N 1 0 487.596 2.920 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296131797 1064226967 /nfs/dbraw/zinc/22/69/67/1064226967.db2.gz NKZGRKZVXNHHRN-AZUAARDMSA-N 1 0 461.680 2.523 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296132248 1064229350 /nfs/dbraw/zinc/22/93/50/1064229350.db2.gz ABJUMGUQSPGXAW-LGVFNWMJSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296132250 1064229373 /nfs/dbraw/zinc/22/93/73/1064229373.db2.gz ABJUMGUQSPGXAW-YZUZCNPQSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296132292 1064229847 /nfs/dbraw/zinc/22/98/47/1064229847.db2.gz AOWCXZOIMXUNRH-NLFFAJNJSA-N 1 0 485.702 2.607 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N(C)C[C@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132581 1064230114 /nfs/dbraw/zinc/23/01/14/1064230114.db2.gz BRRZUPZOBFSKFK-FCHUYYIVSA-N 1 0 481.689 2.592 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N(C)C[C@@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132582 1064230158 /nfs/dbraw/zinc/23/01/58/1064230158.db2.gz BRRZUPZOBFSKFK-FGZHOGPDSA-N 1 0 481.689 2.592 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001296132553 1064230197 /nfs/dbraw/zinc/23/01/97/1064230197.db2.gz BKJUHQSIZZERMG-JOCHJYFZSA-N 1 0 497.688 2.605 20 0 JFADRO CC[C@H](C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291732974 1064230632 /nfs/dbraw/zinc/23/06/32/1064230632.db2.gz QNRGWLZFOQPREN-NRFANRHFSA-N 1 0 482.677 2.972 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133188 1064232706 /nfs/dbraw/zinc/23/27/06/1064232706.db2.gz GMKVHNFFSKUSHE-UQBPGWFLSA-N 1 0 458.626 2.839 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296133234 1064233016 /nfs/dbraw/zinc/23/30/16/1064233016.db2.gz HNYIPSJOPUQLFA-OAQYLSRUSA-N 1 0 499.729 2.997 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CCC3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133362 1064233412 /nfs/dbraw/zinc/23/34/12/1064233412.db2.gz TVOKQEGBWGJKPR-WOJBJXKFSA-N 1 0 475.682 2.923 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2Nc2cnn(C)c2)CC1 ZINC001296133594 1064234090 /nfs/dbraw/zinc/23/40/90/1064234090.db2.gz JMNBAEJJOUCNMD-HXUWFJFHSA-N 1 0 452.607 2.977 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC001296134342 1064235207 /nfs/dbraw/zinc/23/52/07/1064235207.db2.gz NMXQVLXPCSDZGP-LGVFNWMJSA-N 1 0 486.661 2.753 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001296134691 1064236205 /nfs/dbraw/zinc/23/62/05/1064236205.db2.gz PIXMCJUHMCSDIL-FQEVSTJZSA-N 1 0 454.623 2.704 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296134785 1064237082 /nfs/dbraw/zinc/23/70/82/1064237082.db2.gz QIUPWIZVEXXFRY-YADHBBJMSA-N 1 0 456.635 2.807 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCOC[C@H]2C)CC1 ZINC001296134985 1064238014 /nfs/dbraw/zinc/23/80/14/1064238014.db2.gz UGMUWDRCBQDADX-WOJBJXKFSA-N 1 0 474.675 2.830 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296134982 1064238048 /nfs/dbraw/zinc/23/80/48/1064238048.db2.gz UGMUWDRCBQDADX-PMACEKPBSA-N 1 0 474.675 2.830 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCC(C(=O)N(C)C(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001296135186 1064238399 /nfs/dbraw/zinc/23/83/99/1064238399.db2.gz XBMHIBSSGADHMZ-HXUWFJFHSA-N 1 0 461.699 2.685 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccoc2)CC1 ZINC001296135205 1064238859 /nfs/dbraw/zinc/23/88/59/1064238859.db2.gz XEHYHYZRLALXCS-SFHVURJKSA-N 1 0 471.631 2.525 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296135264 1064239079 /nfs/dbraw/zinc/23/90/79/1064239079.db2.gz XRVRAJIAARUNKW-GBESFXJTSA-N 1 0 491.731 2.626 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291759417 1064239398 /nfs/dbraw/zinc/23/93/98/1064239398.db2.gz DYIDNKMNKXETLV-QTEQDKRBSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296135726 1064240141 /nfs/dbraw/zinc/24/01/41/1064240141.db2.gz ADMTXKCZSQGAFX-TXVWBRJLSA-N 1 0 484.636 2.756 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCN(CCOC(C)C)CC3)cn2)CC1 ZINC001296135778 1064240500 /nfs/dbraw/zinc/24/05/00/1064240500.db2.gz BSNOWECSPRUBIL-UHFFFAOYSA-N 1 0 484.693 2.534 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001291759872 1064240506 /nfs/dbraw/zinc/24/05/06/1064240506.db2.gz LQDGHQYGTGFLAP-IBGZPJMESA-N 1 0 469.634 2.545 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001291760014 1064240795 /nfs/dbraw/zinc/24/07/95/1064240795.db2.gz MODWPKMMEPFDMR-PMACEKPBSA-N 1 0 484.649 2.705 20 0 JFADRO COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC001296136362 1064241292 /nfs/dbraw/zinc/24/12/92/1064241292.db2.gz IZYYSJLGJRLVCM-GMAHTHKFSA-N 1 0 450.583 2.762 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001291760043 1064241316 /nfs/dbraw/zinc/24/13/16/1064241316.db2.gz NANNMFQDDTYZIG-RCCFBDPRSA-N 1 0 460.554 2.928 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001291760159 1064241828 /nfs/dbraw/zinc/24/18/28/1064241828.db2.gz KBFKQXXGEKAEKH-WIYYLYMNSA-N 1 0 492.690 2.787 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c([C@H](C)OCCOC)nnc3N3C[C@@H](C)[C@H](C)C3)cn2)CC1 ZINC001296136552 1064242297 /nfs/dbraw/zinc/24/22/97/1064242297.db2.gz IUTVUCLFEOKODT-NJYVYQBISA-N 1 0 471.650 2.680 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001291761841 1064242651 /nfs/dbraw/zinc/24/26/51/1064242651.db2.gz VSAOXXODJIQUEZ-ROUUACIJSA-N 1 0 461.586 2.749 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC(CO)CC3)cn2)CC1 ZINC001296137161 1064243242 /nfs/dbraw/zinc/24/32/42/1064243242.db2.gz MGDPDHVJTZDIKL-UHFFFAOYSA-N 1 0 455.651 2.661 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291763378 1064244303 /nfs/dbraw/zinc/24/43/03/1064244303.db2.gz WHZMYIQVWFCFOU-UWVAXJGDSA-N 1 0 494.482 2.923 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001291763456 1064244364 /nfs/dbraw/zinc/24/43/64/1064244364.db2.gz XCXMROSIUANGQR-JLTOFOAXSA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291763860 1064244802 /nfs/dbraw/zinc/24/48/02/1064244802.db2.gz YCGWGDKOQCRLNP-KRWDZBQOSA-N 1 0 493.450 2.733 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4cccn4C)nnc3N(C)CCC(F)F)cn2)CC1 ZINC001296138903 1064246176 /nfs/dbraw/zinc/24/61/76/1064246176.db2.gz YVJRTFBDPVZKOW-UHFFFAOYSA-N 1 0 458.561 2.960 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001291765650 1064246886 /nfs/dbraw/zinc/24/68/86/1064246886.db2.gz ORDUWBGICFNNQV-IRLDBZIGSA-N 1 0 486.661 2.992 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@@H]1C ZINC001296141182 1064246995 /nfs/dbraw/zinc/24/69/95/1064246995.db2.gz BGSXTTXBSNMFLX-NBGIEHNGSA-N 1 0 473.618 2.937 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C2CCC2)C[C@H]1C ZINC001296141921 1064247990 /nfs/dbraw/zinc/24/79/90/1064247990.db2.gz HAAVMBVJSZDAAY-OAHLLOKOSA-N 1 0 478.439 2.873 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001296141948 1064248099 /nfs/dbraw/zinc/24/80/99/1064248099.db2.gz HCOPGBCDVPAKEV-SFHVURJKSA-N 1 0 464.561 2.799 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@H]1C ZINC001296142127 1064248603 /nfs/dbraw/zinc/24/86/03/1064248603.db2.gz JOMTYSIFARWYKE-MOPGFXCFSA-N 1 0 473.622 2.674 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1C ZINC001296142128 1064248690 /nfs/dbraw/zinc/24/86/90/1064248690.db2.gz JOMTYSIFARWYKE-OALUTQOASA-N 1 0 473.622 2.674 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cc(C)on2)C[C@H]1C ZINC001296142049 1064248736 /nfs/dbraw/zinc/24/87/36/1064248736.db2.gz IHGVTVPBKOZEOA-OAHLLOKOSA-N 1 0 456.547 2.846 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296142401 1064249676 /nfs/dbraw/zinc/24/96/76/1064249676.db2.gz KQQUQPLRUGGSAW-INIZCTEOSA-N 1 0 457.529 2.713 20 0 JFADRO 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CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC2CCCCC2)C[C@H]1C ZINC001296164700 1064282336 /nfs/dbraw/zinc/28/23/36/1064282336.db2.gz BAQXNYLHHXCFNJ-HXUWFJFHSA-N 1 0 456.639 2.509 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 ZINC001291785905 1064282285 /nfs/dbraw/zinc/28/22/85/1064282285.db2.gz YKTKMYWWXLCDKJ-GOSISDBHSA-N 1 0 490.599 2.897 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 ZINC001291785896 1064282349 /nfs/dbraw/zinc/28/23/49/1064282349.db2.gz YDXQOCSNWRGWIJ-UGKGYDQZSA-N 1 0 469.638 2.664 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001291786201 1064282976 /nfs/dbraw/zinc/28/29/76/1064282976.db2.gz ZEVVWAAJZBDROT-GBESFXJTSA-N 1 0 460.648 2.863 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2F)CC1 ZINC001291786303 1064283596 /nfs/dbraw/zinc/28/35/96/1064283596.db2.gz SCMXLRLKONOIKX-ZJOUEHCJSA-N 1 0 475.613 2.593 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)nnc1C(C)(C)C ZINC001291786491 1064283776 /nfs/dbraw/zinc/28/37/76/1064283776.db2.gz SWHVUAKGBSFMRB-LEWJYISDSA-N 1 0 461.699 2.829 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)COc2ccccc2OC)C[C@H]1C ZINC001296164971 1064284113 /nfs/dbraw/zinc/28/41/13/1064284113.db2.gz GEBQOBAMXYRTIC-WOJBJXKFSA-N 1 0 470.618 2.655 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)CN2CCOCC2)C[C@H]1C ZINC001296166221 1064286909 /nfs/dbraw/zinc/28/69/09/1064286909.db2.gz NHBGFRHKKJANAT-FCHUYYIVSA-N 1 0 456.635 2.664 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001296166757 1064288521 /nfs/dbraw/zinc/28/85/21/1064288521.db2.gz PLIXHYNZGKTQOC-HNNXBMFYSA-N 1 0 489.422 2.819 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC001296167381 1064289615 /nfs/dbraw/zinc/28/96/15/1064289615.db2.gz SEYQGSCNVHKMLF-KRWDZBQOSA-N 1 0 484.626 2.866 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CCCOc3ccc(Cl)cc3C)n2CCC(=O)NC)C[C@H]1C ZINC001296167389 1064290914 /nfs/dbraw/zinc/29/09/14/1064290914.db2.gz SFPRTVDFXFKNSL-GOSISDBHSA-N 1 0 463.026 2.918 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2Cc2c(C)nn(C)c2C)C[C@H]1C ZINC001296172980 1064294797 /nfs/dbraw/zinc/29/47/97/1064294797.db2.gz DJTWAEGELLEUJP-QGZVFWFLSA-N 1 0 453.591 2.795 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001296173527 1064296169 /nfs/dbraw/zinc/29/61/69/1064296169.db2.gz JHGHGCYEQXUZLO-NJDAHSKKSA-N 1 0 462.683 2.838 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001291794984 1064298364 /nfs/dbraw/zinc/29/83/64/1064298364.db2.gz FLDQLNGXOZARLU-IBGZPJMESA-N 1 0 490.674 2.574 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001296173861 1064298492 /nfs/dbraw/zinc/29/84/92/1064298492.db2.gz MECWXJOHVNMSGE-UFYCRDLUSA-N 1 0 480.654 2.837 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296173860 1064298938 /nfs/dbraw/zinc/29/89/38/1064298938.db2.gz MECWXJOHVNMSGE-AABGKKOBSA-N 1 0 480.654 2.837 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCc3ccc(NC(C)=O)cc3)C2)CC1 ZINC001296175054 1064303713 /nfs/dbraw/zinc/30/37/13/1064303713.db2.gz VMLRFWQJVQXAON-HSZRJFAPSA-N 1 0 467.662 2.993 20 0 JFADRO CCN1CCN(C2CCN(c3nnc([C@H]4CCCCO4)n3CC[N@H+](CC)C(C)C)CC2)C1=O ZINC001296178619 1064305782 /nfs/dbraw/zinc/30/57/82/1064305782.db2.gz BMDSTERPERJIGT-OAQYLSRUSA-N 1 0 461.655 2.976 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CC(CC)(CC)NC(=O)OC(C)(C)C)C2)CC1 ZINC001296178627 1064306653 /nfs/dbraw/zinc/30/66/53/1064306653.db2.gz ARRZSOIKBPXOAU-HXUWFJFHSA-N 1 0 463.671 2.886 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178946 1064307825 /nfs/dbraw/zinc/30/78/25/1064307825.db2.gz CPZWLYCHIKIPQR-YKSBVNFPSA-N 1 0 480.723 2.677 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CC[S@](=O)C(C)(C)C)C2)CC1 ZINC001296179574 1064309228 /nfs/dbraw/zinc/30/92/28/1064309228.db2.gz HHYMJDSLJKKJAI-GEFUHLBYSA-N 1 0 450.697 2.699 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CC(O)(CC)CC)C2)CC1 ZINC001296179848 1064309567 /nfs/dbraw/zinc/30/95/67/1064309567.db2.gz JEAOSXQFOPYCLB-NRFANRHFSA-N 1 0 456.635 2.721 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296180748 1064313010 /nfs/dbraw/zinc/31/30/10/1064313010.db2.gz QSYZCNBJKBRJBM-NRFANRHFSA-N 1 0 456.635 2.721 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](C)[NH+](C)C)CC2)C1=O ZINC001296181527 1064315590 /nfs/dbraw/zinc/31/55/90/1064315590.db2.gz WYFYSDZRIUKBPS-GOSISDBHSA-N 1 0 455.607 2.630 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181551 1064316289 /nfs/dbraw/zinc/31/62/89/1064316289.db2.gz XIENCHBQHALDBV-HXUWFJFHSA-N 1 0 461.655 2.677 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181764 1064317730 /nfs/dbraw/zinc/31/77/30/1064317730.db2.gz CEYHXTLZTBEAPT-BWKNWUBXSA-N 1 0 456.635 2.543 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C[S@](C)=O)cc3)C2)CC1 ZINC001296181857 1064319165 /nfs/dbraw/zinc/31/91/65/1064319165.db2.gz FOEPBCXDPVWGJO-NHRFMIRVSA-N 1 0 472.703 2.620 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001296181959 1064320397 /nfs/dbraw/zinc/32/03/97/1064320397.db2.gz IHTUWAGSAKJNSN-HXUWFJFHSA-N 1 0 471.625 2.563 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)COC)C2)CC1 ZINC001296182648 1064323970 /nfs/dbraw/zinc/32/39/70/1064323970.db2.gz VWHQQYACZMLPMF-JOCHJYFZSA-N 1 0 458.626 2.897 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2Cc2cccs2)CC1 ZINC001296182922 1064325387 /nfs/dbraw/zinc/32/53/87/1064325387.db2.gz AZKUUYFXDGUKIC-SFTDATJTSA-N 1 0 487.718 2.963 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOCC2)CC1 ZINC001296182919 1064325542 /nfs/dbraw/zinc/32/55/42/1064325542.db2.gz AZCVNQDNDCNUCY-GOSISDBHSA-N 1 0 477.451 2.818 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)OC)C2)CC1 ZINC001296183161 1064326605 /nfs/dbraw/zinc/32/66/05/1064326605.db2.gz YWFIPYUAPBALHC-OAQYLSRUSA-N 1 0 456.635 2.519 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296183515 1064329062 /nfs/dbraw/zinc/32/90/62/1064329062.db2.gz DXMVWGGLDTYTHZ-HXUWFJFHSA-N 1 0 491.631 2.614 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N(CCO)Cc2ccc(F)c(Br)c2)CC1 ZINC001296184052 1064330338 /nfs/dbraw/zinc/33/03/38/1064330338.db2.gz IPUMOYBSYGFYCO-QGZVFWFLSA-N 1 0 497.457 2.761 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296184422 1064331801 /nfs/dbraw/zinc/33/18/01/1064331801.db2.gz KWENHIQGXBWDPM-JOCHJYFZSA-N 1 0 477.698 2.980 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001296184424 1064331825 /nfs/dbraw/zinc/33/18/25/1064331825.db2.gz KXYUCVSHBAWKTA-AEFFLSMTSA-N 1 0 480.455 2.534 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296185989 1064333600 /nfs/dbraw/zinc/33/36/00/1064333600.db2.gz RQWHWTFQWNMQKM-PKOBYXMFSA-N 1 0 494.482 2.925 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296186679 1064334358 /nfs/dbraw/zinc/33/43/58/1064334358.db2.gz XWYFXPGMHIMNHB-IFMALSPDSA-N 1 0 486.661 2.851 20 0 JFADRO CC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001296188624 1064335424 /nfs/dbraw/zinc/33/54/24/1064335424.db2.gz NAHDLBIOSCBOCU-QFIPXVFZSA-N 1 0 457.596 2.681 20 0 JFADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(C)n1CCCC[NH+]1CCN(CC)CC1 ZINC001296191750 1064342559 /nfs/dbraw/zinc/34/25/59/1064342559.db2.gz AGAPZJDWCHGIMT-UHFFFAOYSA-N 1 0 452.607 2.680 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296192106 1064343995 /nfs/dbraw/zinc/34/39/95/1064343995.db2.gz MDKBGJNUNACYHJ-ATIYNZHBSA-N 1 0 469.678 2.933 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)CC1 ZINC001296192662 1064346665 /nfs/dbraw/zinc/34/66/65/1064346665.db2.gz GGALNXXMKLUGHL-OAQYLSRUSA-N 1 0 497.688 2.517 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001296192904 1064348150 /nfs/dbraw/zinc/34/81/50/1064348150.db2.gz GWEOMNSFJBJSAC-KXEAFHOWSA-N 1 0 462.683 2.902 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193160 1064348954 /nfs/dbraw/zinc/34/89/54/1064348954.db2.gz HQCRARZZSUJHMY-PZJWPPBQSA-N 1 0 475.682 2.923 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296193410 1064351183 /nfs/dbraw/zinc/35/11/83/1064351183.db2.gz JHFHYZIXGKTTBN-UHFFFAOYSA-N 1 0 459.605 2.894 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193709 1064352657 /nfs/dbraw/zinc/35/26/57/1064352657.db2.gz PGBAQTUBISQRTO-BWKNWUBXSA-N 1 0 462.683 2.525 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296193767 1064353345 /nfs/dbraw/zinc/35/33/45/1064353345.db2.gz QCZHXQSVHGJWQN-PXDATVDWSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC001296194352 1064355332 /nfs/dbraw/zinc/35/53/32/1064355332.db2.gz RKYKWJWEYVKLLC-UNMCSNQZSA-N 1 0 456.683 2.998 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001296194350 1064355563 /nfs/dbraw/zinc/35/55/63/1064355563.db2.gz RKYKWJWEYVKLLC-RBBKRZOGSA-N 1 0 456.683 2.998 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001296194424 1064356095 /nfs/dbraw/zinc/35/60/95/1064356095.db2.gz SGTTXFKQCDTGDN-YADHBBJMSA-N 1 0 464.699 2.771 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001296194691 1064356903 /nfs/dbraw/zinc/35/69/03/1064356903.db2.gz NWLMHZWWPYUNKA-FQEVSTJZSA-N 1 0 470.666 2.793 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296195191 1064358969 /nfs/dbraw/zinc/35/89/69/1064358969.db2.gz OMGZDGPEEJDBAZ-SFHVURJKSA-N 1 0 456.664 2.959 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC001296195043 1064359046 /nfs/dbraw/zinc/35/90/46/1064359046.db2.gz UUXXRGFCLBJBNJ-YADHBBJMSA-N 1 0 456.683 2.553 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc4c(c3)OCCO4)nnc2N(C)CC(F)(F)F)CC1 ZINC001296195220 1064359934 /nfs/dbraw/zinc/35/99/34/1064359934.db2.gz OYJKNAUCDODKJC-KRWDZBQOSA-N 1 0 482.551 2.988 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195655 1064362626 /nfs/dbraw/zinc/36/26/26/1064362626.db2.gz WXOUFXQWNGEUDP-GBESFXJTSA-N 1 0 461.680 2.521 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296195692 1064363414 /nfs/dbraw/zinc/36/34/14/1064363414.db2.gz QHSGFGMZCAXMRG-VQTJNVASSA-N 1 0 488.080 2.964 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195873 1064364388 /nfs/dbraw/zinc/36/43/88/1064364388.db2.gz RIMDIMVJLVGEMM-QFQXNSOFSA-N 1 0 486.709 2.809 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001291822762 1064365998 /nfs/dbraw/zinc/36/59/98/1064365998.db2.gz NQHRKMUWDVCAPR-FCHUYYIVSA-N 1 0 487.693 2.798 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296197005 1064371959 /nfs/dbraw/zinc/37/19/59/1064371959.db2.gz WPMCWIFZCMVKQF-REWPJTCUSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296197383 1064373480 /nfs/dbraw/zinc/37/34/80/1064373480.db2.gz XQHZYCPADLOCHM-RCZVLFRGSA-N 1 0 462.683 2.829 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC(C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296197385 1064373520 /nfs/dbraw/zinc/37/35/20/1064373520.db2.gz XQHZYCPADLOCHM-WIOPSUGQSA-N 1 0 462.683 2.829 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001296202211 1064377207 /nfs/dbraw/zinc/37/72/07/1064377207.db2.gz BEYXQWQFYVDBSU-JOCHJYFZSA-N 1 0 458.655 2.534 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)CC1 ZINC001296202542 1064377911 /nfs/dbraw/zinc/37/79/11/1064377911.db2.gz FEGQYIVBVNBBTG-NRFANRHFSA-N 1 0 471.650 2.712 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001296203904 1064384093 /nfs/dbraw/zinc/38/40/93/1064384093.db2.gz CZXSCDDNWZEKOF-SFTDATJTSA-N 1 0 450.697 2.922 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001296204166 1064385010 /nfs/dbraw/zinc/38/50/10/1064385010.db2.gz HJVNGZYLDSBXJI-UHFFFAOYSA-N 1 0 455.651 2.630 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296204172 1064385038 /nfs/dbraw/zinc/38/50/38/1064385038.db2.gz HPVQUNYFEMFJQO-UHFFFAOYSA-N 1 0 451.619 2.956 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296204639 1064387140 /nfs/dbraw/zinc/38/71/40/1064387140.db2.gz YGODQUMRSGVFPA-UHFFFAOYSA-N 1 0 451.623 2.646 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001291829513 1064387735 /nfs/dbraw/zinc/38/77/35/1064387735.db2.gz NEOZEDYNYJUTNE-HXUWFJFHSA-N 1 0 461.699 2.734 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205078 1064387741 /nfs/dbraw/zinc/38/77/41/1064387741.db2.gz WVPHGVMXIRPWOY-SIKLNZKXSA-N 1 0 471.625 2.983 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C(N)=O)cc2)CC1 ZINC001296204809 1064387797 /nfs/dbraw/zinc/38/77/97/1064387797.db2.gz LZUSMEJMYQPLCZ-UHFFFAOYSA-N 1 0 455.651 2.630 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296204952 1064388588 /nfs/dbraw/zinc/38/85/88/1064388588.db2.gz OCYKDAOGTWASCL-UHFFFAOYSA-N 1 0 494.610 2.751 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296205869 1064391641 /nfs/dbraw/zinc/39/16/41/1064391641.db2.gz DNXCRCGAEDLKDM-UHFFFAOYSA-N 1 0 453.591 2.914 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291832256 1064395236 /nfs/dbraw/zinc/39/52/36/1064395236.db2.gz GBOSHXOBGQSNRN-FCHUYYIVSA-N 1 0 497.688 2.722 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3ccccc3Cl)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296206800 1064396162 /nfs/dbraw/zinc/39/61/62/1064396162.db2.gz SUUSSEZYNXBJFA-LJQANCHMSA-N 1 0 495.093 2.640 20 0 JFADRO CC[NH+]1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001296207286 1064397354 /nfs/dbraw/zinc/39/73/54/1064397354.db2.gz WIPWZOQAGBCZQC-UXHICEINSA-N 1 0 474.675 2.611 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296207334 1064397811 /nfs/dbraw/zinc/39/78/11/1064397811.db2.gz XRYRRIGZIQVLLM-UHFFFAOYSA-N 1 0 467.662 2.586 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296207603 1064398698 /nfs/dbraw/zinc/39/86/98/1064398698.db2.gz ZHLFAYFJRAPQAF-FQEVSTJZSA-N 1 0 472.634 2.605 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296207641 1064398827 /nfs/dbraw/zinc/39/88/27/1064398827.db2.gz ZWMNMASVFYINEM-GBXCKJPGSA-N 1 0 486.661 2.851 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296211286 1064401893 /nfs/dbraw/zinc/40/18/93/1064401893.db2.gz LSGBHLSHZNFTDB-FNZWTVRRSA-N 1 0 489.709 2.998 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001291833647 1064402622 /nfs/dbraw/zinc/40/26/22/1064402622.db2.gz NHOYFBRIPRXWPC-PMACEKPBSA-N 1 0 471.650 2.615 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCC2)CC1 ZINC001291833926 1064406520 /nfs/dbraw/zinc/40/65/20/1064406520.db2.gz QQGQOGKREREXJW-HXUWFJFHSA-N 1 0 471.625 2.607 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001291834201 1064408641 /nfs/dbraw/zinc/40/86/41/1064408641.db2.gz VBXOHFZCNJEKDN-MOPGFXCFSA-N 1 0 489.068 2.515 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[N@H+](C)C(C)C)CC1 ZINC001291834337 1064409588 /nfs/dbraw/zinc/40/95/88/1064409588.db2.gz VXHIKAZPCYYGAC-IBGZPJMESA-N 1 0 476.069 2.975 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296214850 1064414460 /nfs/dbraw/zinc/41/44/60/1064414460.db2.gz PEINZEIRFWGXLN-NZQKXSOJSA-N 1 0 474.625 2.885 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296214853 1064414942 /nfs/dbraw/zinc/41/49/42/1064414942.db2.gz PEINZEIRFWGXLN-REWPJTCUSA-N 1 0 474.625 2.885 20 0 JFADRO CCn1nc(-c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296221768 1064441788 /nfs/dbraw/zinc/44/17/88/1064441788.db2.gz IPLOVKJQPKOGTN-LJQANCHMSA-N 1 0 497.644 2.647 20 0 JFADRO CC[C@@H](c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC001291845915 1064453545 /nfs/dbraw/zinc/45/35/45/1064453545.db2.gz UHBOFIVVVRKFQP-ACIOBRDBSA-N 1 0 489.686 2.944 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291858337 1064467789 /nfs/dbraw/zinc/46/77/89/1064467789.db2.gz SBHFAJZDVBZTGO-MFSJNOQSSA-N 1 0 456.660 2.924 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291859114 1064468347 /nfs/dbraw/zinc/46/83/47/1064468347.db2.gz WSWQSTILMABJEN-QNWVGRARSA-N 1 0 467.662 2.513 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291859115 1064468461 /nfs/dbraw/zinc/46/84/61/1064468461.db2.gz WSWQSTILMABJEN-QZNHQXDQSA-N 1 0 467.662 2.513 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291859102 1064468527 /nfs/dbraw/zinc/46/85/27/1064468527.db2.gz WSWQSTILMABJEN-FUPPJEDESA-N 1 0 467.662 2.513 20 0 JFADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291862177 1064471568 /nfs/dbraw/zinc/47/15/68/1064471568.db2.gz IPKRSGIMTJAVSU-GOTSBHOMSA-N 1 0 468.646 2.629 20 0 JFADRO CC[C@@H](c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291863282 1064474257 /nfs/dbraw/zinc/47/42/57/1064474257.db2.gz OAIXRAJFMKYREH-YKSBVNFPSA-N 1 0 456.660 2.831 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001296239429 1064485174 /nfs/dbraw/zinc/48/51/74/1064485174.db2.gz JDWKQSTZXBFYFI-BVSLBCMMSA-N 1 0 495.672 2.881 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@@H](C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291878136 1064499800 /nfs/dbraw/zinc/49/98/00/1064499800.db2.gz WNCUCRLXPZYTEH-NHCUHLMSSA-N 1 0 456.660 2.831 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001296242551 1064501422 /nfs/dbraw/zinc/50/14/22/1064501422.db2.gz WBBUJQBYUZYBJV-IBGZPJMESA-N 1 0 486.636 2.860 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001296248050 1064507815 /nfs/dbraw/zinc/50/78/15/1064507815.db2.gz FCSIFARIRWBDPB-LJQANCHMSA-N 1 0 456.635 2.765 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001296248698 1064509979 /nfs/dbraw/zinc/50/99/79/1064509979.db2.gz FQPPVDMEWUXUPZ-SFHVURJKSA-N 1 0 458.582 2.833 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887957 1064510336 /nfs/dbraw/zinc/51/03/36/1064510336.db2.gz LPUFMWXBZWNMSW-YTFSRNRJSA-N 1 0 468.646 2.879 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001296249302 1064511355 /nfs/dbraw/zinc/51/13/55/1064511355.db2.gz LIIPMRRMOUEIHE-UHFFFAOYSA-N 1 0 498.672 2.883 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC001291890157 1064515502 /nfs/dbraw/zinc/51/55/02/1064515502.db2.gz BACHBDDYNNSDNV-ISKFKSNPSA-N 1 0 481.689 2.762 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001296252210 1064515736 /nfs/dbraw/zinc/51/57/36/1064515736.db2.gz YOGUZASTYKRPMR-HHHXNRCGSA-N 1 0 498.672 2.805 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001291890243 1064515761 /nfs/dbraw/zinc/51/57/61/1064515761.db2.gz WTNIKLMPRCLXRK-FYYLOGMGSA-N 1 0 489.686 2.803 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291890965 1064516214 /nfs/dbraw/zinc/51/62/14/1064516214.db2.gz ZDNVYQTUIWWRDJ-PXDATVDWSA-N 1 0 486.686 2.552 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291890661 1064516324 /nfs/dbraw/zinc/51/63/24/1064516324.db2.gz CNUPSSGUVOSTRS-ISKFKSNPSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001291891250 1064516692 /nfs/dbraw/zinc/51/66/92/1064516692.db2.gz DTDVVUGUSPBOPW-KNQAVFIVSA-N 1 0 494.644 2.827 20 0 JFADRO C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1=CC[N@H+](C)CC1 ZINC001296254823 1064516962 /nfs/dbraw/zinc/51/69/62/1064516962.db2.gz WHTCFFINWMSJMP-OAHLLOKOSA-N 1 0 459.534 2.873 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CCOC)CC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291892725 1064520095 /nfs/dbraw/zinc/52/00/95/1064520095.db2.gz HHXMNIZSJVLPLR-HSZRJFAPSA-N 1 0 470.662 2.699 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](CC)C2)n1C[C@@]1(C)CN(C)C1=O)c1ccccc1 ZINC001291893010 1064521022 /nfs/dbraw/zinc/52/10/22/1064521022.db2.gz JLIPKRZHKRVIGS-VVZHRXSXSA-N 1 0 468.646 2.845 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291894882 1064524170 /nfs/dbraw/zinc/52/41/70/1064524170.db2.gz QWRRMYRILSLBKW-VXKWHMMOSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CCOC)C(=O)C2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291895608 1064527167 /nfs/dbraw/zinc/52/71/67/1064527167.db2.gz XJCMUZUNNQIYDK-IRLDBZIGSA-N 1 0 454.619 2.599 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291897098 1064528632 /nfs/dbraw/zinc/52/86/32/1064528632.db2.gz AQIKMZAIZMDTQW-RRJCBXKSSA-N 1 0 498.672 2.661 20 0 JFADRO CCNC(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCC([NH+](CC)CC)CC2)CCC1 ZINC001296263588 1064530062 /nfs/dbraw/zinc/53/00/62/1064530062.db2.gz BUTIIHIRYMWOBO-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CCNC(=O)C1(Cn2c(CCOc3ccccc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CCC1 ZINC001296265632 1064533015 /nfs/dbraw/zinc/53/30/15/1064533015.db2.gz UHXUKKWOESKEAM-HXUWFJFHSA-N 1 0 454.619 2.736 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291904329 1064534825 /nfs/dbraw/zinc/53/48/25/1064534825.db2.gz ORBIHTTWZUERLB-BDKRGJGYSA-N 1 0 455.603 2.665 20 0 JFADRO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001296269554 1064536976 /nfs/dbraw/zinc/53/69/76/1064536976.db2.gz YOMQZRUPHFCEAL-OAQYLSRUSA-N 1 0 456.587 2.855 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(COCC)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC001296274886 1064544717 /nfs/dbraw/zinc/54/47/17/1064544717.db2.gz UIEBUNVSTLQNNI-OAQYLSRUSA-N 1 0 454.619 2.925 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291930842 1064548353 /nfs/dbraw/zinc/54/83/53/1064548353.db2.gz DQINTZZZYSDXLE-YMPZKCBVSA-N 1 0 490.693 2.756 20 0 JFADRO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001296279768 1064549657 /nfs/dbraw/zinc/54/96/57/1064549657.db2.gz GXWGBSGIDRTBSV-JOCHJYFZSA-N 1 0 459.612 2.602 20 0 JFADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291933475 1064552378 /nfs/dbraw/zinc/55/23/78/1064552378.db2.gz HMXWMCCYIQJBFA-URXFXBBRSA-N 1 0 497.688 2.848 20 0 JFADRO CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291933474 1064552471 /nfs/dbraw/zinc/55/24/71/1064552471.db2.gz HMXWMCCYIQJBFA-QPPBQGQZSA-N 1 0 497.688 2.848 20 0 JFADRO CCC(CC)(Cn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+](C2CCOCC2)CC1)OC ZINC001291942635 1064559218 /nfs/dbraw/zinc/55/92/18/1064559218.db2.gz WLZWLJAQMHSIDW-UHFFFAOYSA-N 1 0 490.674 2.776 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001291950801 1064562076 /nfs/dbraw/zinc/56/20/76/1064562076.db2.gz CQQMLYRREBVHHL-QHCPKHFHSA-N 1 0 483.661 2.913 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCOCC1 ZINC001291951747 1064563577 /nfs/dbraw/zinc/56/35/77/1064563577.db2.gz FOVZLQNOPHBJFN-FXAWDEMLSA-N 1 0 490.052 2.797 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001296289301 1064564037 /nfs/dbraw/zinc/56/40/37/1064564037.db2.gz RGSSGRFGJYXLKZ-HXUWFJFHSA-N 1 0 489.068 2.516 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296293508 1064569141 /nfs/dbraw/zinc/56/91/41/1064569141.db2.gz JFMYIIZAASSXMW-XPWALMASSA-N 1 0 489.709 2.536 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1)[NH+](C)C ZINC001291955107 1064569679 /nfs/dbraw/zinc/56/96/79/1064569679.db2.gz XGFBQRDOTTYBHT-QFIPXVFZSA-N 1 0 460.598 2.820 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCOCC1 ZINC001291956200 1064571194 /nfs/dbraw/zinc/57/11/94/1064571194.db2.gz ZMPJXWYTGLHIRR-GOTSBHOMSA-N 1 0 484.645 2.806 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001296295840 1064572177 /nfs/dbraw/zinc/57/21/77/1064572177.db2.gz VVRZKTCENDFYKH-OAQYLSRUSA-N 1 0 473.641 2.567 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001291961022 1064572925 /nfs/dbraw/zinc/57/29/25/1064572925.db2.gz AJYMNWAUGUIRNE-DENIHFKCSA-N 1 0 471.650 2.512 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](COC)C1)[NH+]1CCOCC1 ZINC001291961799 1064574716 /nfs/dbraw/zinc/57/47/16/1064574716.db2.gz CJEGWDAJBORHFK-KNQAVFIVSA-N 1 0 457.623 2.735 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)[NH+](C)C ZINC001291962721 1064575921 /nfs/dbraw/zinc/57/59/21/1064575921.db2.gz BIGOYOUVGKXOPG-IAGOWNOFSA-N 1 0 472.556 2.943 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001291963320 1064576770 /nfs/dbraw/zinc/57/67/70/1064576770.db2.gz IZYUGLVEZNODNB-QFIPXVFZSA-N 1 0 469.634 2.569 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cc(C)no2)CC1)[NH+](C)C ZINC001291963546 1064577170 /nfs/dbraw/zinc/57/71/70/1064577170.db2.gz KRPVGRGJBVUYFT-QFIPXVFZSA-N 1 0 469.638 2.664 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001291964755 1064578188 /nfs/dbraw/zinc/57/81/88/1064578188.db2.gz VRJOEGFCPRLQLZ-JTHBVZDNSA-N 1 0 469.634 2.582 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001291965773 1064578481 /nfs/dbraw/zinc/57/84/81/1064578481.db2.gz IMKZKXYJAGMSSE-HOJAQTOUSA-N 1 0 472.638 2.746 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)[NH+]1CCOCC1 ZINC001291965078 1064578556 /nfs/dbraw/zinc/57/85/56/1064578556.db2.gz OXBNLXWEOZNWHZ-ZJSXRUAMSA-N 1 0 483.661 2.782 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001291966191 1064579254 /nfs/dbraw/zinc/57/92/54/1064579254.db2.gz JLWMDWNLQIYFON-PKTZIBPZSA-N 1 0 490.693 2.614 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21)[NH+](C)C ZINC001291966392 1064579988 /nfs/dbraw/zinc/57/99/88/1064579988.db2.gz BZVJNLLZTQSJCQ-MLNNCEHLSA-N 1 0 496.722 2.746 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291966294 1064580085 /nfs/dbraw/zinc/58/00/85/1064580085.db2.gz KFNRYWSMKOMJIK-UGKGYDQZSA-N 1 0 496.722 2.543 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1)[NH+](C)C ZINC001291966555 1064580293 /nfs/dbraw/zinc/58/02/93/1064580293.db2.gz CIOVIHOBFBLFPU-LEWJYISDSA-N 1 0 456.639 2.573 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC001291966883 1064581229 /nfs/dbraw/zinc/58/12/29/1064581229.db2.gz FMRRFEWKDBUUCQ-GIVPXCGWSA-N 1 0 498.738 2.850 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001291966970 1064581522 /nfs/dbraw/zinc/58/15/22/1064581522.db2.gz LTHDXTYBSZPFEZ-OALUTQOASA-N 1 0 474.679 2.769 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001291966971 1064581556 /nfs/dbraw/zinc/58/15/56/1064581556.db2.gz LTHDXTYBSZPFEZ-RBUKOAKNSA-N 1 0 474.679 2.769 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001291967357 1064582826 /nfs/dbraw/zinc/58/28/26/1064582826.db2.gz INSLABQPLQMWEK-NRFANRHFSA-N 1 0 499.635 2.895 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001291967498 1064582904 /nfs/dbraw/zinc/58/29/04/1064582904.db2.gz PGBRMLMDMDJUEU-SXWKCWPCSA-N 1 0 467.680 2.901 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296302660 1064582972 /nfs/dbraw/zinc/58/29/72/1064582972.db2.gz QIHLLDKBPDDAES-QHAWAJNXSA-N 1 0 493.697 2.610 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001291967970 1064583683 /nfs/dbraw/zinc/58/36/83/1064583683.db2.gz SEEDAHQPSPAJCT-FKBYEOEOSA-N 1 0 496.722 2.890 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001291968027 1064583743 /nfs/dbraw/zinc/58/37/43/1064583743.db2.gz ODNVAMGOKFVNNQ-PGRDOPGGSA-N 1 0 494.681 2.845 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+](C)C ZINC001291968025 1064583799 /nfs/dbraw/zinc/58/37/99/1064583799.db2.gz ODNVAMGOKFVNNQ-AVRDEDQJSA-N 1 0 494.681 2.845 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001296306196 1064584661 /nfs/dbraw/zinc/58/46/61/1064584661.db2.gz HCKWOFCDTTZEMY-QGZVFWFLSA-N 1 0 477.560 2.882 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC[N@H+](C)CCOC)CC1 ZINC001296306759 1064585692 /nfs/dbraw/zinc/58/56/92/1064585692.db2.gz NUJOQZIBCXRWJI-UHFFFAOYSA-N 1 0 471.650 2.672 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291973329 1064588048 /nfs/dbraw/zinc/58/80/48/1064588048.db2.gz GLSKCGDUMGAGQC-OALUTQOASA-N 1 0 453.678 2.920 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001296307752 1064588506 /nfs/dbraw/zinc/58/85/06/1064588506.db2.gz NLHJJMLPMMRWGE-QFIPXVFZSA-N 1 0 499.660 2.934 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+](C)C ZINC001291974325 1064588855 /nfs/dbraw/zinc/58/88/55/1064588855.db2.gz MLZICLSAGJZXDN-NRFANRHFSA-N 1 0 470.666 2.613 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)[NH+](C)C)CC1 ZINC001296308306 1064589300 /nfs/dbraw/zinc/58/93/00/1064589300.db2.gz WTKDVJZYZNXSQR-AWEZNQCLSA-N 1 0 482.402 2.648 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001291975574 1064590497 /nfs/dbraw/zinc/59/04/97/1064590497.db2.gz VYCZCMCUXMZYKW-HXUWFJFHSA-N 1 0 491.681 2.824 20 0 JFADRO CC[N@H+](CCNC(=O)c1ccc2ncc(I)n2c1)CCC(F)(F)F ZINC001296309851 1064590551 /nfs/dbraw/zinc/59/05/51/1064590551.db2.gz ITWHTRYCHQRCTD-UHFFFAOYSA-N 1 0 454.234 2.943 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)on1 ZINC001291976212 1064592226 /nfs/dbraw/zinc/59/22/26/1064592226.db2.gz DTPOAQMPIUTQAW-HKUYNNGSSA-N 1 0 493.678 2.893 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001291980260 1064595131 /nfs/dbraw/zinc/59/51/31/1064595131.db2.gz ZZWMOMHBUDXRBC-HBDUWURDSA-N 1 0 451.656 2.892 20 0 JFADRO CCC(CC)[C@@H](Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001291980261 1064595145 /nfs/dbraw/zinc/59/51/45/1064595145.db2.gz ZZWMOMHBUDXRBC-HWXYTADMSA-N 1 0 451.656 2.892 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001296315721 1064595541 /nfs/dbraw/zinc/59/55/41/1064595541.db2.gz UQGWJMFBXOAVAZ-QFIPXVFZSA-N 1 0 475.682 2.782 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCCCC2)CC1 ZINC001296316687 1064597835 /nfs/dbraw/zinc/59/78/35/1064597835.db2.gz AIUASIHWLFSJCT-UHFFFAOYSA-N 1 0 469.634 2.605 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291986102 1064597975 /nfs/dbraw/zinc/59/79/75/1064597975.db2.gz JWQQRQNXCFBZDP-UHFFFAOYSA-N 1 0 468.650 2.770 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001296317097 1064598300 /nfs/dbraw/zinc/59/83/00/1064598300.db2.gz KBLOYHFNOMJLOP-UHFFFAOYSA-N 1 0 459.664 2.904 20 0 JFADRO 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CCC(CC)NC(=O)c1nnc(N2CCCN(CC)C(=O)C2)n1CC1([NH+](C)C)CCCCC1 ZINC001292104042 1064795791 /nfs/dbraw/zinc/79/57/91/1064795791.db2.gz CHQBDIHUKLYGDU-UHFFFAOYSA-N 1 0 461.655 2.520 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CC1([NH+](C)C)CCC1 ZINC001292104377 1064796475 /nfs/dbraw/zinc/79/64/75/1064796475.db2.gz DGYVIXAICHMNCI-UHFFFAOYSA-N 1 0 474.679 2.854 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CC[C@H](F)C1 ZINC001292104420 1064797009 /nfs/dbraw/zinc/79/70/09/1064797009.db2.gz FICNDGAMJYCEBS-ICSRJNTNSA-N 1 0 474.629 2.781 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001292104911 1064797765 /nfs/dbraw/zinc/79/77/65/1064797765.db2.gz KNUQIMNDOUNSOS-FQEVSTJZSA-N 1 0 473.666 2.566 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001292106575 1064804299 /nfs/dbraw/zinc/80/42/99/1064804299.db2.gz XXEMGRZMZAAYBG-SFHVURJKSA-N 1 0 473.588 2.755 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1Cc1csc(COC)n1 ZINC001292113472 1064822807 /nfs/dbraw/zinc/82/28/07/1064822807.db2.gz JQZVOHKDCJPMFT-UHFFFAOYSA-N 1 0 463.652 2.768 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292116194 1064836199 /nfs/dbraw/zinc/83/61/99/1064836199.db2.gz NZVIFTGGJLREBL-HXUWFJFHSA-N 1 0 483.661 2.961 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292116622 1064839118 /nfs/dbraw/zinc/83/91/18/1064839118.db2.gz SFTXSWWYJWJIOK-JOCHJYFZSA-N 1 0 469.634 2.569 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001292123329 1064861011 /nfs/dbraw/zinc/86/10/11/1064861011.db2.gz CNWWIZGYZXRAMX-OAQYLSRUSA-N 1 0 497.688 2.920 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C[C@@H]1CCOC[C@@H]1OC ZINC001292123627 1064862445 /nfs/dbraw/zinc/86/24/45/1064862445.db2.gz HBBHOFCMMHGCLH-SSPYTLHUSA-N 1 0 498.672 2.959 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccc2c(c1)OCCO2 ZINC001292124644 1064865811 /nfs/dbraw/zinc/86/58/11/1064865811.db2.gz NYGXEVGPAPEVAB-UHFFFAOYSA-N 1 0 470.618 2.794 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCc1nc(C)c(C)s1 ZINC001292126445 1064875608 /nfs/dbraw/zinc/87/56/08/1064875608.db2.gz QFYWKFNQQZKJTA-UHFFFAOYSA-N 1 0 489.690 2.814 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)C(=O)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292126439 1064875647 /nfs/dbraw/zinc/87/56/47/1064875647.db2.gz QCOAOOMBMWGBKZ-IBGZPJMESA-N 1 0 473.666 2.520 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1c(C)coc1C ZINC001292126713 1064877321 /nfs/dbraw/zinc/87/73/21/1064877321.db2.gz SNXLFTKBWHUHNY-UHFFFAOYSA-N 1 0 458.607 2.756 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCc1nccnc1C ZINC001292126967 1064878530 /nfs/dbraw/zinc/87/85/30/1064878530.db2.gz WASISENHUCUOPS-UHFFFAOYSA-N 1 0 468.650 2.992 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCC(C)(C)C)CC2)n1CCN1CCOCC1(C)C ZINC001292126916 1064878552 /nfs/dbraw/zinc/87/85/52/1064878552.db2.gz SJSAYCDSERIHCP-UHFFFAOYSA-N 1 0 491.725 2.866 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H]1CSCCS1 ZINC001292132147 1064885146 /nfs/dbraw/zinc/88/51/46/1064885146.db2.gz DVXVBKMDMFMJFT-ZWKOTPCHSA-N 1 0 452.694 2.720 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001292133886 1064890071 /nfs/dbraw/zinc/89/00/71/1064890071.db2.gz KOEOXUDZTLMQGX-NHCUHLMSSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292135406 1064900318 /nfs/dbraw/zinc/90/03/18/1064900318.db2.gz KFLYBUDNVRCMOA-CEXWTWQISA-N 1 0 464.655 2.700 20 0 JFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141547 1064909543 /nfs/dbraw/zinc/90/95/43/1064909543.db2.gz LLTBRCGVCGYHGZ-APWZRJJASA-N 1 0 451.493 2.991 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC001292142656 1064909937 /nfs/dbraw/zinc/90/99/37/1064909937.db2.gz ZCZHUMULWDQETA-IPMKNSEASA-N 1 0 451.493 2.634 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001292144457 1064914892 /nfs/dbraw/zinc/91/48/92/1064914892.db2.gz MLKGPJLKQIZJQS-NRFANRHFSA-N 1 0 486.665 2.563 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nccs3)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001292145255 1064918352 /nfs/dbraw/zinc/91/83/52/1064918352.db2.gz SQEJBKRCCNAEJL-PKOBYXMFSA-N 1 0 475.663 2.963 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCSC3(CCOCC3)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292151333 1064929308 /nfs/dbraw/zinc/92/93/08/1064929308.db2.gz LWIHVVFTUVOVFR-IBGZPJMESA-N 1 0 464.680 2.639 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](OC)C2)n1CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC001292151734 1064930706 /nfs/dbraw/zinc/93/07/06/1064930706.db2.gz SRVHQBITZAKGTR-OAQYLSRUSA-N 1 0 476.666 2.845 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](OC)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001292154289 1064933138 /nfs/dbraw/zinc/93/31/38/1064933138.db2.gz ULLZAPCPTBJVDU-QFIPXVFZSA-N 1 0 454.619 2.870 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001292160455 1064942379 /nfs/dbraw/zinc/94/23/79/1064942379.db2.gz QHBKSFQXSXBHRO-GVDBMIGSSA-N 1 0 458.529 2.545 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Oc2ncccc2F)C1)[NH+]1CCCC1 ZINC001292160590 1064942870 /nfs/dbraw/zinc/94/28/70/1064942870.db2.gz BNTCBKUEHAPRHP-MOPGFXCFSA-N 1 0 473.597 2.873 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)[NH+]1CCCC1 ZINC001292160592 1064942979 /nfs/dbraw/zinc/94/29/79/1064942979.db2.gz BNTCBKUEHAPRHP-RBUKOAKNSA-N 1 0 473.597 2.873 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)Oc1ccccc1F ZINC001292160616 1064943432 /nfs/dbraw/zinc/94/34/32/1064943432.db2.gz RJCUMTNHSSCDJW-VQTJNVASSA-N 1 0 488.608 2.668 20 0 JFADRO CC[C@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001292162462 1064947875 /nfs/dbraw/zinc/94/78/75/1064947875.db2.gz JMHMVEJZSSNSDF-OAQYLSRUSA-N 1 0 475.037 2.945 20 0 JFADRO CC[C@H](Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292163474 1064949133 /nfs/dbraw/zinc/94/91/33/1064949133.db2.gz NYKFAOZCBJDUIS-SIKLNZKXSA-N 1 0 474.675 2.709 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292163680 1064949439 /nfs/dbraw/zinc/94/94/39/1064949439.db2.gz NMUNBLUYYCHANZ-UXHICEINSA-N 1 0 491.681 2.984 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292163684 1064949498 /nfs/dbraw/zinc/94/94/98/1064949498.db2.gz NMUNBLUYYCHANZ-WOJBJXKFSA-N 1 0 491.681 2.984 20 0 JFADRO CC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292165199 1064951947 /nfs/dbraw/zinc/95/19/47/1064951947.db2.gz UHAKRLRRKXNCBW-PZJWPPBQSA-N 1 0 467.618 2.689 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1)[NH+]1CCCC1 ZINC001292165479 1064952311 /nfs/dbraw/zinc/95/23/11/1064952311.db2.gz VNLFLLRWXIUUOX-UUOWRZLLSA-N 1 0 458.582 2.528 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001292168612 1064955467 /nfs/dbraw/zinc/95/54/67/1064955467.db2.gz ZRVIRVOOAJGKEK-LJFZDNNRSA-N 1 0 464.655 2.557 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1)[NH+]1CCCC1 ZINC001292172215 1064958893 /nfs/dbraw/zinc/95/88/93/1064958893.db2.gz JPKJDNXEZFRMQK-GUDVDZBRSA-N 1 0 495.719 2.912 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001292172659 1064960249 /nfs/dbraw/zinc/96/02/49/1064960249.db2.gz BOBVRPRXZQYEIM-APWZRJJASA-N 1 0 492.466 2.978 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC1 ZINC001292177010 1064967803 /nfs/dbraw/zinc/96/78/03/1064967803.db2.gz WMZSXJIKVMXGRR-UHFFFAOYSA-N 1 0 453.509 2.909 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292186918 1064978817 /nfs/dbraw/zinc/97/88/17/1064978817.db2.gz UDJCBYJQPSAWDC-CTNGQTDRSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292186921 1064978915 /nfs/dbraw/zinc/97/89/15/1064978915.db2.gz UDJCBYJQPSAWDC-TZIWHRDSSA-N 1 0 461.632 2.842 20 0 JFADRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)cc1 ZINC001292191738 1064983966 /nfs/dbraw/zinc/98/39/66/1064983966.db2.gz OYBDTNZOJWRQAL-UHFFFAOYSA-N 1 0 457.550 2.712 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCOC)CC1)[NH+]1CCCC1 ZINC001292196246 1064988361 /nfs/dbraw/zinc/98/83/61/1064988361.db2.gz UNHFDELMHSMXSI-JOCHJYFZSA-N 1 0 454.619 2.799 20 0 JFADRO C[C@@H]1Cn2nc(C(=O)NCc3ccccc3OCC[NH+](C)C)cc2CN1C(=O)OC(C)(C)C ZINC001292196780 1064988780 /nfs/dbraw/zinc/98/87/80/1064988780.db2.gz QMYZTQJLZWPCCW-QGZVFWFLSA-N 1 0 457.575 2.893 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCCC1 ZINC001292198093 1064990176 /nfs/dbraw/zinc/99/01/76/1064990176.db2.gz JOKFKVGLIZGVCR-HXUWFJFHSA-N 1 0 471.625 2.605 20 0 JFADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@@H](C)C(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292199748 1064991014 /nfs/dbraw/zinc/99/10/14/1064991014.db2.gz QBZICEBNGLRNCX-XXBNENTESA-N 1 0 461.614 2.995 20 0 JFADRO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001292208923 1064998351 /nfs/dbraw/zinc/99/83/51/1064998351.db2.gz RETZGVDGEFWSIA-ICSRJNTNSA-N 1 0 469.565 2.889 20 0 JFADRO CC[C@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)Oc1cccc(F)c1 ZINC001292208922 1064998511 /nfs/dbraw/zinc/99/85/11/1064998511.db2.gz RETZGVDGEFWSIA-AZUAARDMSA-N 1 0 469.565 2.889 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)OC ZINC001292210587 1065000604 /nfs/dbraw/zinc/00/06/04/1065000604.db2.gz DZFMXPSJYATMEA-JTHBVZDNSA-N 1 0 450.587 2.929 20 0 JFADRO CC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[N@H+](CC)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC001292212057 1065002434 /nfs/dbraw/zinc/00/24/34/1065002434.db2.gz OKGZCGJWIMHWMU-SJORKVTESA-N 1 0 489.621 2.840 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)cc1OC)[NH+]1CCCC1 ZINC001292222438 1065008818 /nfs/dbraw/zinc/00/88/18/1065008818.db2.gz BODXDXIBZYFPGX-WOJBJXKFSA-N 1 0 491.658 2.708 20 0 JFADRO CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)NC(=O)OC(C)(C)C ZINC001292225106 1065011708 /nfs/dbraw/zinc/01/17/08/1065011708.db2.gz LTPDLTFXYDPMBB-QHAWAJNXSA-N 1 0 492.665 2.634 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC001292226141 1065013686 /nfs/dbraw/zinc/01/36/86/1065013686.db2.gz UOGVJYRXZUEVNQ-AABGKKOBSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+]1CCCC1 ZINC001292235735 1065020291 /nfs/dbraw/zinc/02/02/91/1065020291.db2.gz JQVZVNXAWYYTPU-RBBKRZOGSA-N 1 0 453.635 2.831 20 0 JFADRO CC[C@@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001292242401 1065024947 /nfs/dbraw/zinc/02/49/47/1065024947.db2.gz KFLMOWGSLHNYSQ-CTNGQTDRSA-N 1 0 454.619 2.613 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001292243900 1065027216 /nfs/dbraw/zinc/02/72/16/1065027216.db2.gz PZXGQVCLKLLXHY-NRFANRHFSA-N 1 0 499.660 2.868 20 0 JFADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001292247956 1065030903 /nfs/dbraw/zinc/03/09/03/1065030903.db2.gz MWZHUVWWHSIUEW-UNMCSNQZSA-N 1 0 487.693 2.652 20 0 JFADRO CC[C@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292252191 1065034165 /nfs/dbraw/zinc/03/41/65/1065034165.db2.gz OBGVFLOQQLYKOV-ISKFKSNPSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@@H](Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+]1CCCC1 ZINC001292252192 1065034491 /nfs/dbraw/zinc/03/44/91/1065034491.db2.gz OBGVFLOQQLYKOV-LADGPHEKSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292261795 1065041055 /nfs/dbraw/zinc/04/10/55/1065041055.db2.gz KKXONSJBNQARQA-IYWMVGAKSA-N 1 0 467.680 2.694 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2ccccn2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001292286460 1065060780 /nfs/dbraw/zinc/06/07/80/1065060780.db2.gz ZIZSMBWIKDRQAW-QHCPKHFHSA-N 1 0 464.614 2.671 20 0 JFADRO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001292304934 1065075159 /nfs/dbraw/zinc/07/51/59/1065075159.db2.gz OGDBIVIOSNNDTQ-UMEGOILYSA-N 1 0 460.667 2.957 20 0 JFADRO CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001292315808 1065082691 /nfs/dbraw/zinc/08/26/91/1065082691.db2.gz AMDSLOSPAAMQQD-BWKNWUBXSA-N 1 0 454.619 2.658 20 0 JFADRO O=C(Cc1ccccc1F)N1C[C@@H](O)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001292331396 1065087930 /nfs/dbraw/zinc/08/79/30/1065087930.db2.gz XVDDPBLLLCKKSZ-UNMCSNQZSA-N 1 0 457.571 2.518 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001292332290 1065088587 /nfs/dbraw/zinc/08/85/87/1065088587.db2.gz RHPMOUKFVOPDLF-PQNGQFLHSA-N 1 0 496.722 2.892 20 0 JFADRO Cc1ccc(I)cc1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001292351765 1065096035 /nfs/dbraw/zinc/09/60/35/1065096035.db2.gz QCRMJRYMYRDOGN-UHFFFAOYSA-N 1 0 450.324 2.676 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001292355001 1065099152 /nfs/dbraw/zinc/09/91/52/1065099152.db2.gz CDAIZWCJQGCQIQ-RUZDIDTESA-N 1 0 467.618 2.785 20 0 JFADRO CCC1(CC)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CCS1 ZINC001292398271 1065136490 /nfs/dbraw/zinc/13/64/90/1065136490.db2.gz CPJSHTDWFQMCPW-KRWDZBQOSA-N 1 0 455.694 2.777 20 0 JFADRO CCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC001292408675 1065142638 /nfs/dbraw/zinc/14/26/38/1065142638.db2.gz VBPPAZAARWEQDL-SFTDATJTSA-N 1 0 459.683 2.991 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC001292421060 1065153648 /nfs/dbraw/zinc/15/36/48/1065153648.db2.gz YSNAHQJQTXLMGQ-UXLLHSPISA-N 1 0 450.536 2.660 20 0 JFADRO C[C@H](NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454321 1065176202 /nfs/dbraw/zinc/17/62/02/1065176202.db2.gz MPLFQMIXMDVIEI-FNZWTVRRSA-N 1 0 450.583 2.757 20 0 JFADRO CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(N)=O)C2)[NH+](C)C)cc1 ZINC001292458649 1065183023 /nfs/dbraw/zinc/18/30/23/1065183023.db2.gz AGQAGZAXRICUQE-GJZUVCINSA-N 1 0 461.614 2.831 20 0 JFADRO CCc1ccc([C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(N)=O)CC2)[NH+](C)C)cc1 ZINC001292458763 1065183037 /nfs/dbraw/zinc/18/30/37/1065183037.db2.gz BMTBSUQBEFQEOE-QHCPKHFHSA-N 1 0 478.645 2.707 20 0 JFADRO CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(C)C)C(=O)C2)[NH+](C)C)cc1 ZINC001292459215 1065184296 /nfs/dbraw/zinc/18/42/96/1065184296.db2.gz CZWLDSPAOMWRTG-HSZRJFAPSA-N 1 0 495.672 2.570 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC001292459507 1065184838 /nfs/dbraw/zinc/18/48/38/1065184838.db2.gz XPROWKQKISLWJC-HXUWFJFHSA-N 1 0 468.646 2.971 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459718 1065186040 /nfs/dbraw/zinc/18/60/40/1065186040.db2.gz FUFFBCYDXXQRIM-TZRRMPRUSA-N 1 0 484.645 2.726 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)[NH+](C)C)cc1 ZINC001292460185 1065187180 /nfs/dbraw/zinc/18/71/80/1065187180.db2.gz HIDGOXAOVVCFRX-PKTZIBPZSA-N 1 0 484.645 2.856 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C(=O)NC3CC3)C2)[NH+](C)C)cc1 ZINC001292460430 1065187722 /nfs/dbraw/zinc/18/77/22/1065187722.db2.gz XDSSFYIVFJRJSF-GMAHTHKFSA-N 1 0 495.672 2.777 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001292460531 1065188333 /nfs/dbraw/zinc/18/83/33/1065188333.db2.gz IEZNKLOLHQJHCP-XZOQPEGZSA-N 1 0 468.646 2.952 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292460538 1065189066 /nfs/dbraw/zinc/18/90/66/1065189066.db2.gz IHBQDVFWEBPPBP-FDFHNCONSA-N 1 0 454.619 2.957 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001292469977 1065195900 /nfs/dbraw/zinc/19/59/00/1065195900.db2.gz CKZXMESHGBKHAT-MOPGFXCFSA-N 1 0 450.461 2.566 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292488580 1065209743 /nfs/dbraw/zinc/20/97/43/1065209743.db2.gz OHDKKDVPUKAVFF-RUZDIDTESA-N 1 0 468.646 2.705 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001292488604 1065210135 /nfs/dbraw/zinc/21/01/35/1065210135.db2.gz OVBWQRLOJPXAQI-DHIUTWEWSA-N 1 0 468.646 2.956 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001292495279 1065213209 /nfs/dbraw/zinc/21/32/09/1065213209.db2.gz SICLARYRSSQFCD-UHFFFAOYSA-N 1 0 467.662 2.625 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc1 ZINC001292496701 1065214925 /nfs/dbraw/zinc/21/49/25/1065214925.db2.gz GEHWFFXFSPJEDM-UHFFFAOYSA-N 1 0 458.584 2.702 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(N(CC)S(C)(=O)=O)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001292497290 1065216362 /nfs/dbraw/zinc/21/63/62/1065216362.db2.gz DTVSUAQWIMMENP-SFHVURJKSA-N 1 0 462.664 2.708 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001292507072 1065224642 /nfs/dbraw/zinc/22/46/42/1065224642.db2.gz IEJRTFPZVSDKEG-HXUWFJFHSA-N 1 0 462.664 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001292507552 1065225948 /nfs/dbraw/zinc/22/59/48/1065225948.db2.gz KAPBBQNXPNQMLI-SIKLNZKXSA-N 1 0 474.675 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCC(=O)N[C@H](C)CC)cc1 ZINC001292513197 1065232171 /nfs/dbraw/zinc/23/21/71/1065232171.db2.gz AGZRBOAYPRXGAY-NFBKMPQASA-N 1 0 495.672 2.555 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1 ZINC001292513235 1065232782 /nfs/dbraw/zinc/23/27/82/1065232782.db2.gz ASENUZQFDZCXJZ-AREMUKBSSA-N 1 0 468.646 2.659 20 0 JFADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)cc1C ZINC001292514083 1065234973 /nfs/dbraw/zinc/23/49/73/1065234973.db2.gz DCBFHLQVZPYJIH-DHIUTWEWSA-N 1 0 457.596 2.775 20 0 JFADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)cc1C ZINC001292514085 1065235403 /nfs/dbraw/zinc/23/54/03/1065235403.db2.gz DCBFHLQVZPYJIH-PKTZIBPZSA-N 1 0 457.596 2.775 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N4CCCC4)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001292517646 1065239426 /nfs/dbraw/zinc/23/94/26/1065239426.db2.gz GSWFKVUGLOKLMR-UHFFFAOYSA-N 1 0 481.689 2.982 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001292520451 1065245441 /nfs/dbraw/zinc/24/54/41/1065245441.db2.gz JSDSXBNLHBZYPY-NRFANRHFSA-N 1 0 470.662 2.775 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001292520717 1065245988 /nfs/dbraw/zinc/24/59/88/1065245988.db2.gz RVIMERHROVHWSQ-UHFFFAOYSA-N 1 0 462.664 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)N(CC)C(=O)[C@H]4C3)n2CC[N@H+](CC)C(C)C)cc1 ZINC001292524372 1065249557 /nfs/dbraw/zinc/24/95/57/1065249557.db2.gz DUGXMYMSDWKFTC-OAQYLSRUSA-N 1 0 467.618 2.711 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)N(CC)C(=O)[C@H]4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001292524405 1065249573 /nfs/dbraw/zinc/24/95/73/1065249573.db2.gz FPRAHWMEQUNQKO-HXUWFJFHSA-N 1 0 467.618 2.568 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001292524401 1065249584 /nfs/dbraw/zinc/24/95/84/1065249584.db2.gz FKAOTCGPLCLQJP-IPJJNNNSSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1 ZINC001292525623 1065251922 /nfs/dbraw/zinc/25/19/22/1065251922.db2.gz RZTYCQQUAOZAJM-UGKGYDQZSA-N 1 0 476.691 2.954 20 0 JFADRO Cn1nc(I)cc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001292541205 1065263028 /nfs/dbraw/zinc/26/30/28/1065263028.db2.gz RJIHFYLDDFYCHI-UHFFFAOYSA-N 1 0 452.340 2.805 20 0 JFADRO CCc1nnc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292542989 1065264795 /nfs/dbraw/zinc/26/47/95/1065264795.db2.gz ZNQDIGKAZDVBEZ-DHIUTWEWSA-N 1 0 468.646 2.924 20 0 JFADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001292547251 1065267420 /nfs/dbraw/zinc/26/74/20/1065267420.db2.gz YRLOZALQXWLFHM-FQEVSTJZSA-N 1 0 450.587 2.816 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[N@H+]1CC ZINC001292578343 1065290531 /nfs/dbraw/zinc/29/05/31/1065290531.db2.gz IDGCNKDDTAMKRH-FQEVSTJZSA-N 1 0 467.618 2.522 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001292578800 1065291721 /nfs/dbraw/zinc/29/17/21/1065291721.db2.gz POLLJCANMXYYHM-GHTZIAJQSA-N 1 0 467.618 2.598 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292579391 1065293868 /nfs/dbraw/zinc/29/38/68/1065293868.db2.gz UQQIPUPEUXECFV-IRLDBZIGSA-N 1 0 484.645 2.920 20 0 JFADRO CC1CC[NH+](Cc2cccc(CNC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)c2)CC1 ZINC001292582679 1065298956 /nfs/dbraw/zinc/29/89/56/1065298956.db2.gz XDEXDXBXBPREMJ-UHFFFAOYSA-N 1 0 457.596 2.543 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)Cc2c(C)noc2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001292584381 1065299897 /nfs/dbraw/zinc/29/98/97/1065299897.db2.gz RCYXPYTZFHJHDH-DEOSSOPVSA-N 1 0 454.575 2.727 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)O ZINC001292600840 1065322836 /nfs/dbraw/zinc/32/28/36/1065322836.db2.gz MIPCLSRYAPLXHM-JOCHJYFZSA-N 1 0 470.662 2.795 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CC(C)(C)O ZINC001292600841 1065323304 /nfs/dbraw/zinc/32/33/04/1065323304.db2.gz MIPCLSRYAPLXHM-QFIPXVFZSA-N 1 0 470.662 2.795 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1C[C@@H](C)[NH+](C)C ZINC001292606922 1065332470 /nfs/dbraw/zinc/33/24/70/1065332470.db2.gz UXVKJLHYPPYDNT-CTNGQTDRSA-N 1 0 454.619 2.961 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001292606613 1065332630 /nfs/dbraw/zinc/33/26/30/1065332630.db2.gz SBPYDAJRNHPYOL-PZJWPPBQSA-N 1 0 475.659 2.775 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCCN(C(C)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001292609486 1065335488 /nfs/dbraw/zinc/33/54/88/1065335488.db2.gz KAKKSVLZQPMKLH-UHFFFAOYSA-N 1 0 454.619 2.962 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001292614688 1065345343 /nfs/dbraw/zinc/34/53/43/1065345343.db2.gz ILVXTZCAGXOXEI-NRFANRHFSA-N 1 0 498.672 2.883 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC(C)(C)C[NH+](C)C ZINC001292614667 1065345399 /nfs/dbraw/zinc/34/53/99/1065345399.db2.gz IBLRICRDKSIXPH-UHFFFAOYSA-N 1 0 494.644 2.594 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292615138 1065347481 /nfs/dbraw/zinc/34/74/81/1065347481.db2.gz OAOXCFOQIVPIFL-GOSISDBHSA-N 1 0 468.581 2.625 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(=O)NCC(F)(F)F ZINC001292615685 1065349152 /nfs/dbraw/zinc/34/91/52/1065349152.db2.gz QWUVZUAUROHFML-UHFFFAOYSA-N 1 0 480.535 2.630 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001292616013 1065349950 /nfs/dbraw/zinc/34/99/50/1065349950.db2.gz WYJURFVKUOPITE-NRFANRHFSA-N 1 0 469.634 2.706 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001292619808 1065356664 /nfs/dbraw/zinc/35/66/64/1065356664.db2.gz PMQZGPZAVWCQLO-ZDXQCDESSA-N 1 0 484.689 2.900 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292620251 1065357774 /nfs/dbraw/zinc/35/77/74/1065357774.db2.gz ZZKLAJVHEZYTQL-ZJSXRUAMSA-N 1 0 498.672 2.881 20 0 JFADRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001292634348 1065372388 /nfs/dbraw/zinc/37/23/88/1065372388.db2.gz CABBNAXHYCCBMK-NRFANRHFSA-N 1 0 458.603 2.652 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc(I)cc2)CC1 ZINC001292660462 1065396691 /nfs/dbraw/zinc/39/66/91/1065396691.db2.gz LUWHUWHICIXQNB-IRXDYDNUSA-N 1 0 455.384 2.851 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)s1 ZINC001292670689 1065410602 /nfs/dbraw/zinc/41/06/02/1065410602.db2.gz UCFQADWDDJSVNC-HOTGVXAUSA-N 1 0 483.708 2.897 20 0 JFADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccccn3)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001292678511 1065417734 /nfs/dbraw/zinc/41/77/34/1065417734.db2.gz NPMUKFNBXPJDAT-UZUQRXQVSA-N 1 0 455.632 2.855 20 0 JFADRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)ccc1OC ZINC001292689214 1065436220 /nfs/dbraw/zinc/43/62/20/1065436220.db2.gz YDQFSKAVAKIPMZ-XMMPIXPASA-N 1 0 454.527 2.723 20 0 JFADRO Cc1cc(C2(C(=O)NCc3cccc(OCC[N@@H+](C)C4CCOCC4)c3)CCOCC2)on1 ZINC001292706712 1065461648 /nfs/dbraw/zinc/46/16/48/1065461648.db2.gz SIBZYRMGXOMLNL-UHFFFAOYSA-N 1 0 457.571 2.837 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001292720643 1065481527 /nfs/dbraw/zinc/48/15/27/1065481527.db2.gz LHUYXQCTFMTDLF-IAGOWNOFSA-N 1 0 483.708 2.664 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)cs1 ZINC001292727797 1065488341 /nfs/dbraw/zinc/48/83/41/1065488341.db2.gz BPZOSWPFEZOMIF-SFHVURJKSA-N 1 0 471.679 2.608 20 0 JFADRO C[N@H+](CC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1)[C@@H]1CCC[C@H]1O ZINC001292741982 1065502179 /nfs/dbraw/zinc/50/21/79/1065502179.db2.gz MENJLZICVVOMRS-IAGOWNOFSA-N 1 0 464.326 2.962 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292802943 1065560858 /nfs/dbraw/zinc/56/08/58/1065560858.db2.gz RRJZGYKXIJZIBR-RTBURBONSA-N 1 0 456.591 2.963 20 0 JFADRO CCc1nnc(N(C)Cc2nc(CCOC)no2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001292843199 1065574233 /nfs/dbraw/zinc/57/42/33/1065574233.db2.gz JAIHYODTTHOOLF-UHFFFAOYSA-N 1 0 453.591 2.886 20 0 JFADRO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N(CC[NH+](C)C)C3CCCCC3)c2)C[C@@H](C)O1 ZINC001292872690 1065581820 /nfs/dbraw/zinc/58/18/20/1065581820.db2.gz VQQJKHGIFQOQAL-RTBURBONSA-N 1 0 451.633 2.821 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](SC)C(C)(C)C ZINC001292892895 1065591929 /nfs/dbraw/zinc/59/19/29/1065591929.db2.gz IRDKDPFEJXNHBG-SXLOBPIMSA-N 1 0 450.697 2.997 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894290 1065595417 /nfs/dbraw/zinc/59/54/17/1065595417.db2.gz WKOSWDMQBIPXEG-UWJYYQICSA-N 1 0 493.578 2.876 20 0 JFADRO CC(C)(C)OC(=O)NCCc1nc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)cs1 ZINC001292896259 1065596932 /nfs/dbraw/zinc/59/69/32/1065596932.db2.gz GXKXIDQCQHJFJP-UHFFFAOYSA-N 1 0 452.621 2.975 20 0 JFADRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 ZINC001292923470 1065611279 /nfs/dbraw/zinc/61/12/79/1065611279.db2.gz UCSOQUXIAYRPFK-UHFFFAOYSA-N 1 0 459.348 2.685 20 0 JFADRO CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001292934489 1065624084 /nfs/dbraw/zinc/62/40/84/1065624084.db2.gz XYKPXLMXRQWUDL-TVZXLZGTSA-N 1 0 457.615 2.941 20 0 JFADRO COc1cc(CNC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC[NH+](C)C ZINC001292942318 1065627673 /nfs/dbraw/zinc/62/76/73/1065627673.db2.gz QCNHGKGBSHPWKR-IBGZPJMESA-N 1 0 458.578 2.602 20 0 JFADRO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)cc2)cc1C ZINC001292954744 1065633834 /nfs/dbraw/zinc/63/38/34/1065633834.db2.gz CRUBDRKMZRICLG-UHFFFAOYSA-N 1 0 458.628 2.860 20 0 JFADRO CCN1CC[NH+](CCCCNC(=O)C[C@H](NC(C)=O)c2ccc(Br)cc2)CC1 ZINC001292957244 1065634547 /nfs/dbraw/zinc/63/45/47/1065634547.db2.gz CFCFVAYETISGGT-FQEVSTJZSA-N 1 0 453.425 2.550 20 0 JFADRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC001292958311 1065636306 /nfs/dbraw/zinc/63/63/06/1065636306.db2.gz JBAKSKFNTJBUCB-UHFFFAOYSA-N 1 0 453.624 2.787 20 0 JFADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001292959619 1065638843 /nfs/dbraw/zinc/63/88/43/1065638843.db2.gz CIHBDZCALXHUHO-TZIWHRDSSA-N 1 0 466.696 2.745 20 0 JFADRO CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292962765 1065644382 /nfs/dbraw/zinc/64/43/82/1065644382.db2.gz IZLTVUMUSJAWKW-OALUTQOASA-N 1 0 460.589 2.908 20 0 JFADRO CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001292962764 1065644472 /nfs/dbraw/zinc/64/44/72/1065644472.db2.gz IZLTVUMUSJAWKW-MOPGFXCFSA-N 1 0 460.589 2.908 20 0 JFADRO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC001292967088 1065646618 /nfs/dbraw/zinc/64/66/18/1065646618.db2.gz UMTJINAYBQACQI-QWHCGFSZSA-N 1 0 452.440 2.510 20 0 JFADRO C[N@@H+]1CCCN(CCCNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968504 1065648198 /nfs/dbraw/zinc/64/81/98/1065648198.db2.gz RHZSLEIVJHMATF-DYTRJAOYSA-N 1 0 451.600 2.544 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292978145 1065658900 /nfs/dbraw/zinc/65/89/00/1065658900.db2.gz PEPJOHHAIZYOAY-UHFFFAOYSA-N 1 0 474.675 2.845 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1Cc1cc(OC)ccc1OC(F)F ZINC001292979545 1065661315 /nfs/dbraw/zinc/66/13/15/1065661315.db2.gz WYAZYSXJKWRBQC-SFHVURJKSA-N 1 0 464.561 2.715 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001292979556 1065662057 /nfs/dbraw/zinc/66/20/57/1065662057.db2.gz CCHHUEQOPGLSOX-UHFFFAOYSA-N 1 0 473.597 2.881 20 0 JFADRO CCc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001292981652 1065666382 /nfs/dbraw/zinc/66/63/82/1065666382.db2.gz KMNJYJAPONPEHM-LJQANCHMSA-N 1 0 458.607 2.933 20 0 JFADRO CCc1nnc(N2CCC(O)(c3c(F)cccc3F)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292986116 1065670188 /nfs/dbraw/zinc/67/01/88/1065670188.db2.gz BDMUMFDBPPIJTM-GOSISDBHSA-N 1 0 463.573 2.964 20 0 JFADRO CC[NH+]1CCN(CCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)CC1 ZINC001292986444 1065671782 /nfs/dbraw/zinc/67/17/82/1065671782.db2.gz MHWCOSJNPCXGEI-SFHVURJKSA-N 1 0 454.015 2.753 20 0 JFADRO Cc1ccc(NC(=O)CSc2ccccc2C(=O)NCCC(=O)N2CCN(C)CC2)cc1 ZINC001292986502 1065671795 /nfs/dbraw/zinc/67/17/95/1065671795.db2.gz MUKRUSHKMJAVKM-UHFFFAOYSA-N 1 0 454.596 2.620 20 0 JFADRO CCc1nnc(N2CCC(Nc3cc(OC)cc(OC)c3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292987764 1065674761 /nfs/dbraw/zinc/67/47/61/1065674761.db2.gz TYILOEAFAOKQPS-IBGZPJMESA-N 1 0 472.634 2.907 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC001292992548 1065679929 /nfs/dbraw/zinc/67/99/29/1065679929.db2.gz FIKPXOKDNJCHBY-VQTJNVASSA-N 1 0 452.640 2.767 20 0 JFADRO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292995918 1065684173 /nfs/dbraw/zinc/68/41/73/1065684173.db2.gz YDQOGWIRFIINQE-CTNGQTDRSA-N 1 0 454.619 2.612 20 0 JFADRO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292995921 1065684207 /nfs/dbraw/zinc/68/42/07/1065684207.db2.gz YDQOGWIRFIINQE-TZIWHRDSSA-N 1 0 454.619 2.612 20 0 JFADRO CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293022491 1065696244 /nfs/dbraw/zinc/69/62/44/1065696244.db2.gz ANBMYINGLOBSRG-BJKOFHAPSA-N 1 0 461.672 2.550 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031605 1065701417 /nfs/dbraw/zinc/70/14/17/1065701417.db2.gz DHEYZEBDKQLEMZ-GGAORHGYSA-N 1 0 451.615 2.811 20 0 JFADRO CCc1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001293033603 1065702448 /nfs/dbraw/zinc/70/24/48/1065702448.db2.gz IIGVFKJCFWORPD-JOCHJYFZSA-N 1 0 466.634 2.954 20 0 JFADRO COc1cc2nc(C(=O)N3CC[N@H+](Cc4ccccc4)C(C)(C)C3)c(=O)n(C)c2cc1OC ZINC001293052969 1065713962 /nfs/dbraw/zinc/71/39/62/1065713962.db2.gz MURHOTPREXWYEE-UHFFFAOYSA-N 1 0 450.539 2.687 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293068492 1065720658 /nfs/dbraw/zinc/72/06/58/1065720658.db2.gz RGYSQQOOEHLMDT-UHFFFAOYSA-N 1 0 482.673 2.747 20 0 JFADRO CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293083322 1065733946 /nfs/dbraw/zinc/73/39/46/1065733946.db2.gz NRMBJPKAUKQAQC-OYRHEFFESA-N 1 0 498.672 2.628 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC(C)(C)c1ccc(OC)cc1 ZINC001293085013 1065735186 /nfs/dbraw/zinc/73/51/86/1065735186.db2.gz AEOQIZIYTWMXMW-UHFFFAOYSA-N 1 0 456.635 2.817 20 0 JFADRO CCc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293085167 1065735411 /nfs/dbraw/zinc/73/54/11/1065735411.db2.gz CRFBTXQSVYDEBP-FQEVSTJZSA-N 1 0 472.609 2.828 20 0 JFADRO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001293086016 1065736085 /nfs/dbraw/zinc/73/60/85/1065736085.db2.gz JKRBVIJWXAZBGT-UHFFFAOYSA-N 1 0 453.635 2.524 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1cc(Cl)c(OC)c(OC)c1 ZINC001293087358 1065736990 /nfs/dbraw/zinc/73/69/90/1065736990.db2.gz SZHGHTSVQWROQA-UHFFFAOYSA-N 1 0 479.025 2.550 20 0 JFADRO CCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293091974 1065739796 /nfs/dbraw/zinc/73/97/96/1065739796.db2.gz ITXSYKDANIZPTC-KDURUIRLSA-N 1 0 450.628 2.643 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001293093082 1065741236 /nfs/dbraw/zinc/74/12/36/1065741236.db2.gz QDJGHLODNWFOAQ-XUZZJYLKSA-N 1 0 467.662 2.701 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293096519 1065746642 /nfs/dbraw/zinc/74/66/42/1065746642.db2.gz UAEJGJXUXOULSY-UYAOXDASSA-N 1 0 462.589 2.849 20 0 JFADRO CS(=O)(=O)c1ccc(/C=C/C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC001293109541 1065755254 /nfs/dbraw/zinc/75/52/54/1065755254.db2.gz QVUNAUBUSZDBRK-SOFGYWHQSA-N 1 0 451.976 2.678 20 0 JFADRO CCc1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001293114059 1065760064 /nfs/dbraw/zinc/76/00/64/1065760064.db2.gz ZQKUIQPTGIRXAO-UHFFFAOYSA-N 1 0 466.677 2.644 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001293117292 1065765133 /nfs/dbraw/zinc/76/51/33/1065765133.db2.gz ZYUKRCMESJBWGJ-ZLNRFVROSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001293117291 1065765167 /nfs/dbraw/zinc/76/51/67/1065765167.db2.gz ZYUKRCMESJBWGJ-XPWALMASSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001293118782 1065765979 /nfs/dbraw/zinc/76/59/79/1065765979.db2.gz DTWIEBCNZJEJNL-DHIUTWEWSA-N 1 0 481.689 2.884 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001293121567 1065773269 /nfs/dbraw/zinc/77/32/69/1065773269.db2.gz RVBBCUKJKCUUQU-FGZHOGPDSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293121562 1065773331 /nfs/dbraw/zinc/77/33/31/1065773331.db2.gz RTBVVZZRXGVXAK-OOMBGRCJSA-N 1 0 473.710 2.779 20 0 JFADRO CCc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293121632 1065773759 /nfs/dbraw/zinc/77/37/59/1065773759.db2.gz CWBCMCGLYSIKKB-HZPDHXFCSA-N 1 0 464.552 2.751 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001293121924 1065774528 /nfs/dbraw/zinc/77/45/28/1065774528.db2.gz YXSGETZTKOLPJS-OAQYLSRUSA-N 1 0 453.635 2.722 20 0 JFADRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)c1 ZINC001293125466 1065777148 /nfs/dbraw/zinc/77/71/48/1065777148.db2.gz OHLOIONABAMLMS-UHFFFAOYSA-N 1 0 459.550 2.987 20 0 JFADRO CCc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001293124546 1065777231 /nfs/dbraw/zinc/77/72/31/1065777231.db2.gz VHYKVIPRYHCACU-QFIPXVFZSA-N 1 0 470.662 2.667 20 0 JFADRO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001293178732 1065803420 /nfs/dbraw/zinc/80/34/20/1065803420.db2.gz XSMAGBRKMSRMAJ-HSALFYBXSA-N 1 0 492.665 2.855 20 0 JFADRO COc1cc(C(=O)CCC(=O)NCc2ccccc2N2CC[NH+](C)CC2)cc(OC)c1OC ZINC001293183265 1065804595 /nfs/dbraw/zinc/80/45/95/1065804595.db2.gz RRDVGMBBAINIJU-UHFFFAOYSA-N 1 0 455.555 2.744 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001293184096 1065806069 /nfs/dbraw/zinc/80/60/69/1065806069.db2.gz BSEPAUGMCUMMOG-CVEARBPZSA-N 1 0 474.013 2.772 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C(C)(C)C)n3CCC[N@@H+]3CCCO[C@@H](C)C3)CC2)n1 ZINC001293184773 1065808300 /nfs/dbraw/zinc/80/83/00/1065808300.db2.gz KDKXPLJXAVALFD-VQTJNVASSA-N 1 0 488.681 2.905 20 0 JFADRO 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CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001293597433 1066110009 /nfs/dbraw/zinc/11/00/09/1066110009.db2.gz SXBPGNKOQYMGMP-XZOQPEGZSA-N 1 0 484.645 2.805 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001293599665 1066114093 /nfs/dbraw/zinc/11/40/93/1066114093.db2.gz NOGHQMDWQZFHJU-UWHLTILDSA-N 1 0 467.680 2.839 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC2([NH+](C)C)CCC2)CCO1 ZINC001293602269 1066118486 /nfs/dbraw/zinc/11/84/86/1066118486.db2.gz XFQGQOXNEVSPKJ-MOPGFXCFSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC[N@@H+]1CCOC ZINC001293603334 1066119974 /nfs/dbraw/zinc/11/99/74/1066119974.db2.gz XIQWNHMULIIRQG-OAQYLSRUSA-N 1 0 456.635 2.755 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293603100 1066120008 /nfs/dbraw/zinc/12/00/08/1066120008.db2.gz SYTHXBLARHDXDZ-MYDTUXCISA-N 1 0 476.710 2.913 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)c2)CC[N@@H+]1CCOC ZINC001293605012 1066120949 /nfs/dbraw/zinc/12/09/49/1066120949.db2.gz AMDSLYAYHCVYCV-HSZRJFAPSA-N 1 0 470.662 2.909 20 0 JFADRO CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1Br ZINC001293605783 1066121377 /nfs/dbraw/zinc/12/13/77/1066121377.db2.gz CPQLFFQHVCWKAY-OAHLLOKOSA-N 1 0 458.422 2.647 20 0 JFADRO CC[C@H]1CN(c2nnc(CC(C)C)n2CCn2cc(Br)cn2)CC[N@@H+]1CCOC ZINC001293607122 1066122815 /nfs/dbraw/zinc/12/28/15/1066122815.db2.gz HKNRMNHHBPLWNQ-SFHVURJKSA-N 1 0 468.444 2.683 20 0 JFADRO CC[C@H]1CN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)C[C@H]1N1CCOCC1 ZINC001293608050 1066123843 /nfs/dbraw/zinc/12/38/43/1066123843.db2.gz LJYFEWTWUGUIHY-XZOQPEGZSA-N 1 0 468.646 2.730 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1N1CCOCC1 ZINC001293609634 1066124851 /nfs/dbraw/zinc/12/48/51/1066124851.db2.gz RLCCTOTUKVDSLW-ZRBLBEILSA-N 1 0 462.683 2.525 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001293612236 1066127551 /nfs/dbraw/zinc/12/75/51/1066127551.db2.gz KRNBWXXBUDRMOT-HSZRJFAPSA-N 1 0 455.651 2.543 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC[N@@H+]1CCOC ZINC001293612615 1066129087 /nfs/dbraw/zinc/12/90/87/1066129087.db2.gz MMVZTRUZPAEFPQ-FDFHNCONSA-N 1 0 478.037 2.609 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC001293616265 1066131991 /nfs/dbraw/zinc/13/19/91/1066131991.db2.gz GFICXVOHBLWJTL-DEOSSOPVSA-N 1 0 477.613 2.818 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293616915 1066133767 /nfs/dbraw/zinc/13/37/67/1066133767.db2.gz PVCORXINZUWBEA-GJZUVCINSA-N 1 0 482.629 2.928 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293616913 1066133784 /nfs/dbraw/zinc/13/37/84/1066133784.db2.gz PVCORXINZUWBEA-ATIYNZHBSA-N 1 0 482.629 2.928 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)(C)C)CC[N@@H+]1CCOC ZINC001293619509 1066135878 /nfs/dbraw/zinc/13/58/78/1066135878.db2.gz BUQCZOPDSNFIAB-OAQYLSRUSA-N 1 0 469.634 2.879 20 0 JFADRO CC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCS1 ZINC001293627181 1066141500 /nfs/dbraw/zinc/14/15/00/1066141500.db2.gz BAQQUFNZAUPFCL-LJQANCHMSA-N 1 0 464.680 2.622 20 0 JFADRO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2C)CC[N@@H+]1CCOC ZINC001293629551 1066144031 /nfs/dbraw/zinc/14/40/31/1066144031.db2.gz LVMWVMSKPQIXPI-QFIPXVFZSA-N 1 0 472.609 2.638 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CC)C1)[NH+]1CCOCC1 ZINC001293632251 1066146589 /nfs/dbraw/zinc/14/65/89/1066146589.db2.gz SMSFTBOYNCBDCB-XZOQPEGZSA-N 1 0 473.666 2.892 20 0 JFADRO CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293632887 1066147553 /nfs/dbraw/zinc/14/75/53/1066147553.db2.gz XMHHHQMYQTXYLV-BKMJKUGQSA-N 1 0 499.660 2.804 20 0 JFADRO CC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)SC)C[C@H]1N1CCOCC1 ZINC001293633298 1066148137 /nfs/dbraw/zinc/14/81/37/1066148137.db2.gz ZEQRLESQMIIKIY-VQTJNVASSA-N 1 0 478.707 2.869 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)C[NH+]2CCN(CC)CC2)CCO1 ZINC001293643794 1066159124 /nfs/dbraw/zinc/15/91/24/1066159124.db2.gz HIBWPWGERZNEPI-NHCUHLMSSA-N 1 0 474.625 2.885 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001293645680 1066161216 /nfs/dbraw/zinc/16/12/16/1066161216.db2.gz XNFOZKOJNWLIGK-TZIWHRDSSA-N 1 0 488.608 2.554 20 0 JFADRO CC[C@@H]1CN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCO1 ZINC001293645683 1066161301 /nfs/dbraw/zinc/16/13/01/1066161301.db2.gz XROHBVUXCTVCNA-RTWAWAEBSA-N 1 0 473.618 2.838 20 0 JFADRO CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001293647947 1066162781 /nfs/dbraw/zinc/16/27/81/1066162781.db2.gz OMBHAWCGFXGYLC-SQJMNOBHSA-N 1 0 489.686 2.889 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCO1 ZINC001293653295 1066165747 /nfs/dbraw/zinc/16/57/47/1066165747.db2.gz NVRVCKPWBAEBAA-ZVDOUQERSA-N 1 0 465.639 2.507 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2c(C)cccc2C)CC[N@@H+]1CCOC ZINC001293655280 1066167298 /nfs/dbraw/zinc/16/72/98/1066167298.db2.gz YMGUXBGGYFOWEL-NHCUHLMSSA-N 1 0 470.618 2.932 20 0 JFADRO CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001293665458 1066169908 /nfs/dbraw/zinc/16/99/08/1066169908.db2.gz KEERWSGFMPBFEA-ZBWOGFRMSA-N 1 0 452.669 2.803 20 0 JFADRO CC/C=C/Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001293688852 1066174585 /nfs/dbraw/zinc/17/45/85/1066174585.db2.gz WUMOTJHJOXYALP-ONEGZZNKSA-N 1 0 452.607 2.520 20 0 JFADRO CC/C=C\Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293704326 1066178269 /nfs/dbraw/zinc/17/82/69/1066178269.db2.gz CTTKYZJKECEOSF-AMZHIVGSSA-N 1 0 468.602 2.747 20 0 JFADRO CC/C=C\Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001293719861 1066181625 /nfs/dbraw/zinc/18/16/25/1066181625.db2.gz YXZUIWSSEKAIBB-YWEYNIOJSA-N 1 0 479.673 2.962 20 0 JFADRO CC/C=C/Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(=O)NC)CC1 ZINC001293719860 1066181670 /nfs/dbraw/zinc/18/16/70/1066181670.db2.gz YXZUIWSSEKAIBB-XBXARRHUSA-N 1 0 479.673 2.962 20 0 JFADRO CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(N3CCC(C[NH+](C)C)CC3)cc1)C2=O ZINC001293723355 1066183197 /nfs/dbraw/zinc/18/31/97/1066183197.db2.gz NHNISNBERVTBSN-UHFFFAOYSA-N 1 0 455.603 2.904 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2CCOCC2)C1 ZINC001293741672 1066206605 /nfs/dbraw/zinc/20/66/05/1066206605.db2.gz IFADJYRNBGEAJD-HXUWFJFHSA-N 1 0 458.607 2.844 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2CCOCC2)C1 ZINC001293741671 1066206639 /nfs/dbraw/zinc/20/66/39/1066206639.db2.gz IFADJYRNBGEAJD-FQEVSTJZSA-N 1 0 458.607 2.844 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293743717 1066211234 /nfs/dbraw/zinc/21/12/34/1066211234.db2.gz UCXXFZVNAGQRKL-UZUQRXQVSA-N 1 0 461.010 2.550 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[NH+]2CCC(C)CC2)C1 ZINC001293746022 1066216123 /nfs/dbraw/zinc/21/61/23/1066216123.db2.gz XRBHZOSIQJVHGP-SQJMNOBHSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293748339 1066218477 /nfs/dbraw/zinc/21/84/77/1066218477.db2.gz GXIRDNUGHPMIIJ-RZUBCFFCSA-N 1 0 470.666 2.932 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001293756392 1066236806 /nfs/dbraw/zinc/23/68/06/1066236806.db2.gz RBWRARQYFVFAER-YPAWHYETSA-N 1 0 487.693 2.654 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001293757698 1066239346 /nfs/dbraw/zinc/23/93/46/1066239346.db2.gz YLKDVYCHUCUUGU-SFTDATJTSA-N 1 0 473.666 2.550 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001293760986 1066244412 /nfs/dbraw/zinc/24/44/12/1066244412.db2.gz FCDHRDTUCPMLEC-HXUWFJFHSA-N 1 0 496.660 2.931 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001293762021 1066246517 /nfs/dbraw/zinc/24/65/17/1066246517.db2.gz MFHDDRCFTNYEPC-NRFANRHFSA-N 1 0 487.693 2.767 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001293762702 1066248398 /nfs/dbraw/zinc/24/83/98/1066248398.db2.gz RACPGGLPDSVTGR-NRFANRHFSA-N 1 0 487.693 2.911 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001293770284 1066259823 /nfs/dbraw/zinc/25/98/23/1066259823.db2.gz LXGHLKGPRZIXSN-UHFFFAOYSA-N 1 0 456.639 2.686 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(Cc3csc(C)n3)n2CC[NH+]2CCSCC2)CC1 ZINC001293775842 1066269169 /nfs/dbraw/zinc/26/91/69/1066269169.db2.gz WPAQQYMBUBOSMK-UHFFFAOYSA-N 1 0 477.704 2.568 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001293786698 1066289027 /nfs/dbraw/zinc/28/90/27/1066289027.db2.gz JAPJEWUYEKYAKV-HXUWFJFHSA-N 1 0 468.650 2.990 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001293787675 1066293080 /nfs/dbraw/zinc/29/30/80/1066293080.db2.gz VPCAQCFPSYLTIC-FQEVSTJZSA-N 1 0 471.650 2.527 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001293787676 1066293115 /nfs/dbraw/zinc/29/31/15/1066293115.db2.gz VPCAQCFPSYLTIC-HXUWFJFHSA-N 1 0 471.650 2.527 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293787836 1066294126 /nfs/dbraw/zinc/29/41/26/1066294126.db2.gz DXPSSJNJBOHBOH-FGZHOGPDSA-N 1 0 490.693 2.888 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001293788435 1066295718 /nfs/dbraw/zinc/29/57/18/1066295718.db2.gz ZKQZHAKATNWOJW-OAQYLSRUSA-N 1 0 483.661 2.628 20 0 JFADRO COc1ccc(N(CCC(=O)NCC[NH+]2CC=CC2)S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC001293805783 1066315317 /nfs/dbraw/zinc/31/53/17/1066315317.db2.gz IAOVGVPVWFXCJO-UHFFFAOYSA-N 1 0 457.596 2.885 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293821881 1066329779 /nfs/dbraw/zinc/32/97/79/1066329779.db2.gz SINUFGZXWQNSFD-MHZLTWQESA-N 1 0 495.672 2.978 20 0 JFADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001293831372 1066335439 /nfs/dbraw/zinc/33/54/39/1066335439.db2.gz MPJSOGASHLJVJZ-CQSZACIVSA-N 1 0 459.490 2.820 20 0 JFADRO CCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293833687 1066337789 /nfs/dbraw/zinc/33/77/89/1066337789.db2.gz GBTJCNPCTIKDIC-CJFMBICVSA-N 1 0 474.625 2.764 20 0 JFADRO CCC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001293837284 1066342108 /nfs/dbraw/zinc/34/21/08/1066342108.db2.gz SIWOAQYMDWQZQJ-KCWPFWIISA-N 1 0 498.672 2.768 20 0 JFADRO CCC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001293837285 1066342163 /nfs/dbraw/zinc/34/21/63/1066342163.db2.gz SIWOAQYMDWQZQJ-WNCULLNHSA-N 1 0 498.672 2.768 20 0 JFADRO Cc1noc(COc2ccc(C(=O)NC3CC[NH+](CCOc4ccc(F)cc4)CC3)cn2)n1 ZINC001293845518 1066347891 /nfs/dbraw/zinc/34/78/91/1066347891.db2.gz QRHJVZCJDSMLTK-UHFFFAOYSA-N 1 0 455.490 2.764 20 0 JFADRO CCn1ncnc1-c1ccc(C(=O)N2CCC(CC(=O)N3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001293860709 1066368977 /nfs/dbraw/zinc/36/89/77/1066368977.db2.gz OVDXKFSGMMVHMZ-UHFFFAOYSA-N 1 0 452.603 2.760 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3ccc(N)c(OC(F)(F)F)c3)CC2)CC1 ZINC001293861531 1066370324 /nfs/dbraw/zinc/37/03/24/1066370324.db2.gz TWSQTLSPQGGVDK-UHFFFAOYSA-N 1 0 456.509 2.962 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)CC1 ZINC001293861997 1066371229 /nfs/dbraw/zinc/37/12/29/1066371229.db2.gz WHFFJNDSCGIPGZ-UHFFFAOYSA-N 1 0 451.615 2.986 20 0 JFADRO CCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001293896673 1066393433 /nfs/dbraw/zinc/39/34/33/1066393433.db2.gz SOVUGFIYYMEKRI-IBGZPJMESA-N 1 0 456.639 2.626 20 0 JFADRO CCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293908151 1066396759 /nfs/dbraw/zinc/39/67/59/1066396759.db2.gz JBXCCCFDZNLEJA-HTAPYJJXSA-N 1 0 455.636 2.983 20 0 JFADRO CNC(=O)COc1cccc(CC(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC001293911441 1066398080 /nfs/dbraw/zinc/39/80/80/1066398080.db2.gz GUZREXJNMGSRHP-UHFFFAOYSA-N 1 0 459.974 2.667 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001293920888 1066401651 /nfs/dbraw/zinc/40/16/51/1066401651.db2.gz BFNLBINQXZKENJ-UYAOXDASSA-N 1 0 470.684 2.500 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(C3CCC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001293947720 1066445863 /nfs/dbraw/zinc/44/58/63/1066445863.db2.gz SJUYHDPBFGWYEQ-CTNGQTDRSA-N 1 0 460.667 2.914 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293948318 1066447055 /nfs/dbraw/zinc/44/70/55/1066447055.db2.gz YHARVQFQCPWYMR-ZVOVDXHFSA-N 1 0 486.636 2.596 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967950 1066467402 /nfs/dbraw/zinc/46/74/02/1066467402.db2.gz YWOYXEJMUWSHID-LZLYRXPVSA-N 1 0 452.393 2.665 20 0 JFADRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)ccc1I ZINC001293981795 1066486039 /nfs/dbraw/zinc/48/60/39/1066486039.db2.gz JOSCWCNPUBLNHS-LJQANCHMSA-N 1 0 454.283 2.797 20 0 JFADRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001293999704 1066501537 /nfs/dbraw/zinc/50/15/37/1066501537.db2.gz NHPAEYQSDLXCKM-UHFFFAOYSA-N 1 0 456.486 2.867 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)CC[N@@H+]1CCOC ZINC001294055263 1066528869 /nfs/dbraw/zinc/52/88/69/1066528869.db2.gz SQKUOQNTWRQPIJ-OALUTQOASA-N 1 0 452.669 2.639 20 0 JFADRO C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCN3C(=O)Nc3ccccc3)cc2)CC1 ZINC001294064010 1066534635 /nfs/dbraw/zinc/53/46/35/1066534635.db2.gz FIFMLRKPLQWYQY-QHCPKHFHSA-N 1 0 451.571 2.948 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2ncn(C)n2)CC[N@@H+]1CCOC ZINC001294066915 1066537302 /nfs/dbraw/zinc/53/73/02/1066537302.db2.gz HEPHNPQJZXAOTP-LJQANCHMSA-N 1 0 458.998 2.712 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC001294066942 1066537331 /nfs/dbraw/zinc/53/73/31/1066537331.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 1 0 474.650 2.894 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001294077858 1066546872 /nfs/dbraw/zinc/54/68/72/1066546872.db2.gz STZJCDTUURTQON-JAXLGGSGSA-N 1 0 459.639 2.821 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@@H+]1CCOC ZINC001294081044 1066549227 /nfs/dbraw/zinc/54/92/27/1066549227.db2.gz LTQIBLQGEKWWKG-LEWJYISDSA-N 1 0 460.623 2.957 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2c(C)noc2C)CC[N@@H+]1CCOC ZINC001294081047 1066549328 /nfs/dbraw/zinc/54/93/28/1066549328.db2.gz LTQIBLQGEKWWKG-SFTDATJTSA-N 1 0 460.623 2.957 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294081924 1066550222 /nfs/dbraw/zinc/55/02/22/1066550222.db2.gz IUOBVRLKJDUFSB-KURKYZTESA-N 1 0 454.566 2.602 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001294082974 1066552293 /nfs/dbraw/zinc/55/22/93/1066552293.db2.gz UJKMTNSUXJNHKD-PWHSHALESA-N 1 0 463.648 2.688 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001294085086 1066555195 /nfs/dbraw/zinc/55/51/95/1066555195.db2.gz DFTKWNOQWUNBKT-NJDAHSKKSA-N 1 0 492.665 2.932 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001294085581 1066556028 /nfs/dbraw/zinc/55/60/28/1066556028.db2.gz UWHRUTPNJAUENE-YADHBBJMSA-N 1 0 454.619 2.717 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001294085580 1066556086 /nfs/dbraw/zinc/55/60/86/1066556086.db2.gz UWHRUTPNJAUENE-VXKWHMMOSA-N 1 0 454.619 2.717 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC001294086057 1066556684 /nfs/dbraw/zinc/55/66/84/1066556684.db2.gz WEIXIRNHFSNATO-ZWKOTPCHSA-N 1 0 495.550 2.628 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC[N@@H+]1CCOC ZINC001294087880 1066560434 /nfs/dbraw/zinc/56/04/34/1066560434.db2.gz YIFFNINKBXEZQI-WPWBMXPQSA-N 1 0 473.618 2.889 20 0 JFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)N1CCc2ccccc2C1 ZINC001294090452 1066561307 /nfs/dbraw/zinc/56/13/07/1066561307.db2.gz FEVDSULCJRGNDV-UHFFFAOYSA-N 1 0 451.571 2.544 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294092056 1066563014 /nfs/dbraw/zinc/56/30/14/1066563014.db2.gz SVSBUKKJVBJAPL-GMAHTHKFSA-N 1 0 486.636 2.956 20 0 JFADRO Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC(=O)NC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001164389505 718809356 /nfs/dbraw/zinc/80/93/56/718809356.db2.gz JMLPTDCRSKKHTI-UHFFFAOYSA-N 1 0 460.916 2.892 20 0 JFADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424082 718916468 /nfs/dbraw/zinc/91/64/68/718916468.db2.gz KUYFKKZRCPBSLR-AVRWGWEMSA-N 1 0 471.671 2.997 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CN(Cc1ccccc1)CC3)C2 ZINC001164431944 718968339 /nfs/dbraw/zinc/96/83/39/718968339.db2.gz CVMMIVSAJVMFJY-DHIUTWEWSA-N 1 0 475.515 2.556 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)nc(SC)n1)C2 ZINC001164433711 718968593 /nfs/dbraw/zinc/96/85/93/718968593.db2.gz MUQAXSNKBHAEGQ-UONOGXRCSA-N 1 0 460.856 2.918 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164434090 718968856 /nfs/dbraw/zinc/96/88/56/718968856.db2.gz NVXOCXWDJAPUMG-HOTGVXAUSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164434647 718969054 /nfs/dbraw/zinc/96/90/54/718969054.db2.gz UOPYNLUWRLSZPH-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)C2 ZINC001164434649 718969066 /nfs/dbraw/zinc/96/90/66/718969066.db2.gz UOPYNLUWRLSZPH-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cc(Cl)n1)C2 ZINC001164431849 718969811 /nfs/dbraw/zinc/96/98/11/718969811.db2.gz CBLWHKBKDDFFKD-HOTGVXAUSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164619400 719006897 /nfs/dbraw/zinc/00/68/97/719006897.db2.gz WBINWFVUQIPFMM-VLIAUNLRSA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1nc(Cl)cc(N3CCOCC3)n1)C2 ZINC001164615961 719007395 /nfs/dbraw/zinc/00/73/95/719007395.db2.gz KEJGGLPUSIEWJY-KSFYIVLOSA-N 1 0 499.990 2.661 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccccc1 ZINC001164614127 719012370 /nfs/dbraw/zinc/01/23/70/719012370.db2.gz CQCHCCNVIOOMLN-BHYGNILZSA-N 1 0 480.899 2.762 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4c3ccn4S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001164613900 719024440 /nfs/dbraw/zinc/02/44/40/719024440.db2.gz JEJYGVUDHHUQAY-UHFFFAOYSA-N 1 0 497.621 2.912 20 0 JFADRO CN(C)C(=O)CO[C@@H]1CCC2(CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)c2ccccc21 ZINC001164630999 719139338 /nfs/dbraw/zinc/13/93/38/719139338.db2.gz MCHCXWGHZSBOGG-HSZRJFAPSA-N 1 0 478.641 2.706 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164632729 719259366 /nfs/dbraw/zinc/25/93/66/719259366.db2.gz AQHSZGQYJBKYGY-QFIPXVFZSA-N 1 0 467.618 2.769 20 0 JFADRO c1ccc(CN2CCc3c(ncnc3N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)C2)cc1 ZINC001164641688 719266648 /nfs/dbraw/zinc/26/66/48/719266648.db2.gz WEZWHZCNGSYYQB-UHFFFAOYSA-N 1 0 454.538 2.797 20 0 JFADRO Cc1sc2nc(CN3CCOCC3)nc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)c2c1C ZINC001164642622 719267084 /nfs/dbraw/zinc/26/70/84/719267084.db2.gz YBZDJOKUGMXGRB-UHFFFAOYSA-N 1 0 492.609 2.902 20 0 JFADRO COC(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164681934 719657643 /nfs/dbraw/zinc/65/76/43/719657643.db2.gz SKKKENBUVBODBB-FQEVSTJZSA-N 1 0 450.583 2.962 20 0 JFADRO COC(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1OC ZINC001164685403 719659195 /nfs/dbraw/zinc/65/91/95/719659195.db2.gz ZYKGDIKXKJYAEX-LJQANCHMSA-N 1 0 480.609 2.970 20 0 JFADRO COc1cc(OC)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164681363 719661173 /nfs/dbraw/zinc/66/11/73/719661173.db2.gz MMOIGLFFRYPVSO-GOSISDBHSA-N 1 0 453.587 2.587 20 0 JFADRO COC(=O)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncc1N ZINC001164681441 719663983 /nfs/dbraw/zinc/66/39/83/719663983.db2.gz OWQBUGQNFJPNSH-SFHVURJKSA-N 1 0 465.598 2.544 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c(n3)OCC(=O)N4)CC2)c2ccccc21 ZINC001164681879 719668490 /nfs/dbraw/zinc/66/84/90/719668490.db2.gz OAPOLJVDZSEHTH-GOSISDBHSA-N 1 0 463.582 2.506 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)ccc3C(N)=O)CC2)c2ccccc21 ZINC001164680051 719669189 /nfs/dbraw/zinc/66/91/89/719669189.db2.gz BBUUPVNJDRMKAG-KRWDZBQOSA-N 1 0 470.017 2.927 20 0 JFADRO COCCOc1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164680685 719678190 /nfs/dbraw/zinc/67/81/90/719678190.db2.gz GXNXVRXHNJUQFX-FQEVSTJZSA-N 1 0 467.614 2.595 20 0 JFADRO CCOC(=O)c1nccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684671 719678355 /nfs/dbraw/zinc/67/83/55/719678355.db2.gz VCNQSBUWJAIDQU-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3c(Cl)nccc3C(N)=O)CC2)c2ccccc21 ZINC001164685795 719681750 /nfs/dbraw/zinc/68/17/50/719681750.db2.gz MIISLCDRXFCMRT-KRWDZBQOSA-N 1 0 470.017 2.927 20 0 JFADRO COCc1nc(OC)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164683208 719683040 /nfs/dbraw/zinc/68/30/40/719683040.db2.gz FIMNLCVHJBKWBF-LJQANCHMSA-N 1 0 467.614 2.725 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)CC2 ZINC001164686341 719709475 /nfs/dbraw/zinc/70/94/75/719709475.db2.gz ZZZSMIVQAMXUDN-UHFFFAOYSA-N 1 0 453.978 2.709 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)nc3c1CN(Cc1ccccc1)C3)CC2 ZINC001164685215 719711493 /nfs/dbraw/zinc/71/14/93/719711493.db2.gz SKVOHKYWCHSKCX-UHFFFAOYSA-N 1 0 455.006 2.827 20 0 JFADRO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164698157 719882579 /nfs/dbraw/zinc/88/25/79/719882579.db2.gz DIZXVIQDCYVXDR-YTFSRNRJSA-N 1 0 470.577 2.767 20 0 JFADRO CC1(C)NC(=O)N(Cc2ccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)nc2)C1=O ZINC001164705483 719898860 /nfs/dbraw/zinc/89/88/60/719898860.db2.gz CEYVYTPJFRTUSD-UHFFFAOYSA-N 1 0 469.611 2.845 20 0 JFADRO O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21)N1CCCCO1 ZINC001164704226 719926582 /nfs/dbraw/zinc/92/65/82/719926582.db2.gz QEZFUBGTSBGLMC-FFZOFVMBSA-N 1 0 482.959 2.909 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)nc1 ZINC001164708587 719933556 /nfs/dbraw/zinc/93/35/56/719933556.db2.gz LXPPJQKUZPRGOC-QFIPXVFZSA-N 1 0 465.646 2.702 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)C2 ZINC001164814783 720094905 /nfs/dbraw/zinc/09/49/05/720094905.db2.gz WPPWSJBCLMTLRL-NBGIEHNGSA-N 1 0 481.622 2.853 20 0 JFADRO CCOC(=O)c1nnc(SC)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164719115 720107503 /nfs/dbraw/zinc/10/75/03/720107503.db2.gz WICURETXZMBUIA-SFHVURJKSA-N 1 0 472.615 2.673 20 0 JFADRO COCCn1ccc2c1ncnc2N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716254 720122407 /nfs/dbraw/zinc/12/24/07/720122407.db2.gz JNPDWYUAXYBUFN-OAQYLSRUSA-N 1 0 450.587 2.980 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808196 720147859 /nfs/dbraw/zinc/14/78/59/720147859.db2.gz DWLOOHNHXUYTLE-CLOONOSVSA-N 1 0 468.554 2.665 20 0 JFADRO CSc1nc(Cl)cc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164711303 720168778 /nfs/dbraw/zinc/16/87/78/720168778.db2.gz AWWSEMZUANDXRI-CQSZACIVSA-N 1 0 473.981 2.742 20 0 JFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817524 720173903 /nfs/dbraw/zinc/17/39/03/720173903.db2.gz PRTPPTNFWJYIIS-LEDOBFOHSA-N 1 0 450.649 2.733 20 0 JFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817522 720174304 /nfs/dbraw/zinc/17/43/04/720174304.db2.gz PRTPPTNFWJYIIS-JXHRLWIKSA-N 1 0 450.649 2.733 20 0 JFADRO Cn1nnc2c1CCN(c1nc3cc(F)c(F)cc3nc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717044 720177428 /nfs/dbraw/zinc/17/74/28/720177428.db2.gz JQCZBGGAQBGLFZ-GOSISDBHSA-N 1 0 463.920 2.906 20 0 JFADRO CCOC(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1C ZINC001164715413 720180655 /nfs/dbraw/zinc/18/06/55/720180655.db2.gz BHWXKZZFDGGWGJ-SFHVURJKSA-N 1 0 462.982 2.565 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)COc1ccnc(Cl)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716998 720180702 /nfs/dbraw/zinc/18/07/02/720180702.db2.gz IRDSGSKTZXMPFM-KRWDZBQOSA-N 1 0 456.925 2.547 20 0 JFADRO COc1ccc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c(Cl)n1 ZINC001164718770 720181252 /nfs/dbraw/zinc/18/12/52/720181252.db2.gz QVSMNGKIBRSZOP-INIZCTEOSA-N 1 0 456.925 2.633 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820171 720184202 /nfs/dbraw/zinc/18/42/02/720184202.db2.gz ZSDSTVKTMQTGLF-WNCULLNHSA-N 1 0 462.642 2.988 20 0 JFADRO Cn1nnc2c1CCN(c1ncnc3c1ccn3C1CCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719479 720184499 /nfs/dbraw/zinc/18/44/99/720184499.db2.gz VIWJHNNTSCPDBP-NRFANRHFSA-N 1 0 450.591 2.891 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1CN1CCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718786 720185458 /nfs/dbraw/zinc/18/54/58/720185458.db2.gz REXAUSIEJLSXLG-FQEVSTJZSA-N 1 0 460.026 2.676 20 0 JFADRO COc1cc2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nc2cc1OC ZINC001164718828 720188676 /nfs/dbraw/zinc/18/86/76/720188676.db2.gz SCQYGEIVIBJMID-FQEVSTJZSA-N 1 0 452.559 2.597 20 0 JFADRO Cn1nnc2c1CCN(c1nccc(Oc3cccc(F)c3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164713738 720192912 /nfs/dbraw/zinc/19/29/12/720192912.db2.gz CUVBFVCPBARGER-FQEVSTJZSA-N 1 0 453.522 2.753 20 0 JFADRO Cn1nnc2c1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718151 720195423 /nfs/dbraw/zinc/19/54/23/720195423.db2.gz XULZXXSIYQZNNB-HSZRJFAPSA-N 1 0 476.629 2.965 20 0 JFADRO Cc1ccc(-c2nc3c(ncnc3N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)o2)cc1 ZINC001164716140 720197800 /nfs/dbraw/zinc/19/78/00/720197800.db2.gz PCWDIRHHZNLXRG-HXUWFJFHSA-N 1 0 474.569 2.938 20 0 JFADRO Cc1cc(-c2ccccc2F)nnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164720033 720203386 /nfs/dbraw/zinc/20/33/86/720203386.db2.gz 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Cc1cc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc(N3CCOCC3)c2s1 ZINC001164833336 720326440 /nfs/dbraw/zinc/32/64/40/720326440.db2.gz VZFQNFZUSVZNGE-RTWAWAEBSA-N 1 0 484.670 2.748 20 0 JFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)no1 ZINC001164826809 720336750 /nfs/dbraw/zinc/33/67/50/720336750.db2.gz LDDBLSWBSAPNAK-VQTJNVASSA-N 1 0 452.559 2.542 20 0 JFADRO Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)no1 ZINC001164826799 720337244 /nfs/dbraw/zinc/33/72/44/720337244.db2.gz LDDBLSWBSAPNAK-PMACEKPBSA-N 1 0 452.559 2.542 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc4c(c3)OCCO4)nn2)CC1 ZINC001164824191 720340191 /nfs/dbraw/zinc/34/01/91/720340191.db2.gz HGDHDEQRNYYYKZ-YADHBBJMSA-N 1 0 463.582 2.826 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3[C@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164825321 720343039 /nfs/dbraw/zinc/34/30/39/720343039.db2.gz JKSGKFINUDHMBW-WHSLLNHNSA-N 1 0 475.943 2.847 20 0 JFADRO 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c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(-c3ccc(N4CCOCC4)cc3)nn1)CC2 ZINC001164736087 720590343 /nfs/dbraw/zinc/59/03/43/720590343.db2.gz BCDJPWZJVSAYJS-UHFFFAOYSA-N 1 0 459.598 2.835 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843539 720592082 /nfs/dbraw/zinc/59/20/82/720592082.db2.gz XVYFSNICGLWROC-ZMSDIMECSA-N 1 0 457.966 2.972 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c12 ZINC001164843536 720593954 /nfs/dbraw/zinc/59/39/54/720593954.db2.gz XVYFSNICGLWROC-BFYDXBDKSA-N 1 0 457.966 2.972 20 0 JFADRO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(N2CCCCCC2)n1 ZINC001164843590 720598947 /nfs/dbraw/zinc/59/89/47/720598947.db2.gz YJKKGKCOXREACF-PWRODBHTSA-N 1 0 454.623 2.835 20 0 JFADRO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)nn2)C1 ZINC001164838784 720606601 /nfs/dbraw/zinc/60/66/01/720606601.db2.gz LWDPDHZLBBSPSR-KAOXLYBCSA-N 1 0 481.645 2.830 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C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncccc3S(=O)(=O)N3CCCC3)C[C@@H]21 ZINC001165028137 721818314 /nfs/dbraw/zinc/81/83/14/721818314.db2.gz WLAKZLQSBQFDRG-ILWGZMRPSA-N 1 0 455.628 2.998 20 0 JFADRO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027065 721822501 /nfs/dbraw/zinc/82/25/01/721822501.db2.gz RNTRDTOUURMJHS-LZNVNXOZSA-N 1 0 457.600 2.523 20 0 JFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)N4CCCC4)ccn3)C[C@H]21 ZINC001165024674 721827649 /nfs/dbraw/zinc/82/76/49/721827649.db2.gz KYURDQIYQQCKHB-UEVCKROQSA-N 1 0 455.628 2.998 20 0 JFADRO CCOC(=O)C1(F)CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC001165016940 721834544 /nfs/dbraw/zinc/83/45/44/721834544.db2.gz IFHWKROCIHFBRF-QGZVFWFLSA-N 1 0 464.582 2.752 20 0 JFADRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922590 721875373 /nfs/dbraw/zinc/87/53/73/721875373.db2.gz HASRBUGUYNRYDK-RTBURBONSA-N 1 0 475.018 2.536 20 0 JFADRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc2c(ncnc2Cl)n1S(=O)(=O)c1ccccc1 ZINC001164922587 721875464 /nfs/dbraw/zinc/87/54/64/721875464.db2.gz HASRBUGUYNRYDK-MOPGFXCFSA-N 1 0 475.018 2.536 20 0 JFADRO Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)nc3N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001165038005 721904301 /nfs/dbraw/zinc/90/43/01/721904301.db2.gz IPYSFZFCLKFMAG-KRWDZBQOSA-N 1 0 476.002 2.931 20 0 JFADRO O=S(=O)(c1ccccc1)n1ccc2c1ncnc2N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165043834 721954841 /nfs/dbraw/zinc/95/48/41/721954841.db2.gz DNOCONUMHHEFLP-UHFFFAOYSA-N 1 0 463.563 2.869 20 0 JFADRO O=S(=O)(C1CC1)N(C[C@@H]1CCC[C@@]2(CC[NH2+]C2)O1)c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164954961 721991294 /nfs/dbraw/zinc/99/12/94/721991294.db2.gz YGXRCIPQZPKUOW-LVXARBLLSA-N 1 0 497.665 2.635 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nn2)CC1 ZINC001164955927 722019556 /nfs/dbraw/zinc/01/95/56/722019556.db2.gz TZIFGYUBNUUROQ-UHFFFAOYSA-N 1 0 450.587 2.754 20 0 JFADRO 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2.525 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@@H]32)nc1 ZINC001164978672 722093778 /nfs/dbraw/zinc/09/37/78/722093778.db2.gz JBNHLDSBEKRSEX-OQLXKQOESA-N 1 0 452.603 2.918 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982715 722101530 /nfs/dbraw/zinc/10/15/30/722101530.db2.gz OCISFHDGSSMFEO-AEFFLSMTSA-N 1 0 481.931 2.974 20 0 JFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983777 722135090 /nfs/dbraw/zinc/13/50/90/722135090.db2.gz UURUVPIHAMPOFX-OFNKIYASSA-N 1 0 495.605 2.795 20 0 JFADRO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164983845 722136372 /nfs/dbraw/zinc/13/63/72/722136372.db2.gz VRURBASIQXQLLW-QAPCUYQASA-N 1 0 451.905 2.501 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1C ZINC001164972556 722137579 /nfs/dbraw/zinc/13/75/79/722137579.db2.gz ACCONUIYEWHKGI-QFBILLFUSA-N 1 0 470.961 2.531 20 0 JFADRO O=C1C[C@@]2(CCN(c3cccc(OCC[NH+]4CCCC4)n3)C2)CN1c1ccc2c(c1)OCO2 ZINC001164998337 722220089 /nfs/dbraw/zinc/22/00/89/722220089.db2.gz IPVPOWFCAUSSQC-RUZDIDTESA-N 1 0 450.539 2.918 20 0 JFADRO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165004996 722256474 /nfs/dbraw/zinc/25/64/74/722256474.db2.gz ZIRAWYPLTOULGR-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(F)c(F)cc3I)cn2)CC1 ZINC001264331293 1059573648 /nfs/dbraw/zinc/57/36/48/1059573648.db2.gz OPKAWKSXSWMOPM-UHFFFAOYSA-N 1 0 458.250 2.969 20 0 JFADRO CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)CC2)cc1 ZINC001264436272 1059593179 /nfs/dbraw/zinc/59/31/79/1059593179.db2.gz OFYHUECXGPBULH-SFHVURJKSA-N 1 0 453.568 2.928 20 0 JFADRO CC[NH+](CC)CCN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1cccc(Br)c1 ZINC001264773147 1059671069 /nfs/dbraw/zinc/67/10/69/1059671069.db2.gz WVFDXDQIPPWBHN-DCXXXQMHSA-N 1 0 451.361 2.845 20 0 JFADRO C[C@@H](NC(=O)c1nn2c(c1Br)CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264891191 1059718895 /nfs/dbraw/zinc/71/88/95/1059718895.db2.gz VHEWYTSKGWUSRR-CYBMUJFWSA-N 1 0 450.356 2.974 20 0 JFADRO Cc1cc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)nn1-c1nc(C)cc(C)n1 ZINC001264891020 1059719143 /nfs/dbraw/zinc/71/91/43/1059719143.db2.gz OLYOCESDBYWYJU-GOSISDBHSA-N 1 0 451.550 2.969 20 0 JFADRO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F ZINC001264948297 1059735521 /nfs/dbraw/zinc/73/55/21/1059735521.db2.gz DPQJNQUUZHBCKC-WOJBJXKFSA-N 1 0 454.546 2.918 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)cc2F)CC1 ZINC001264950517 1059736117 /nfs/dbraw/zinc/73/61/17/1059736117.db2.gz RDYBFQMCBSZLFF-QUCCMNQESA-N 1 0 450.555 2.977 20 0 JFADRO O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1F ZINC000390967461 1059736829 /nfs/dbraw/zinc/73/68/29/1059736829.db2.gz QJVMENKZQPMHFV-UHFFFAOYSA-N 1 0 456.381 2.684 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 ZINC001265006968 1059750071 /nfs/dbraw/zinc/75/00/71/1059750071.db2.gz YDYCZRRSVRUJBR-KRWDZBQOSA-N 1 0 454.409 2.927 20 0 JFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@@H](c2cnn(C)c2)C1 ZINC001265053752 1059757870 /nfs/dbraw/zinc/75/78/70/1059757870.db2.gz FVWGZHXEOGNGLS-FGZHOGPDSA-N 1 0 459.616 2.656 20 0 JFADRO Cc1sc(Br)nc1C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001265063121 1059759693 /nfs/dbraw/zinc/75/96/93/1059759693.db2.gz GDNICKMNWWAPHR-OAHLLOKOSA-N 1 0 451.390 2.841 20 0 JFADRO C[C@@H]1Cc2cc(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)ccc2N1S(C)(=O)=O ZINC001265126644 1059774141 /nfs/dbraw/zinc/77/41/41/1059774141.db2.gz IOWKDSSGXMKPLT-QGZVFWFLSA-N 1 0 451.658 2.879 20 0 JFADRO CO[C@@H]1CCC[C@@H]1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001265133828 1059776811 /nfs/dbraw/zinc/77/68/11/1059776811.db2.gz YKKOQYNHLDPXSP-AZUAARDMSA-N 1 0 456.400 2.979 20 0 JFADRO CC(C)Cn1ncc2cc(C(=O)N3CCN(c4ccccc4OCC[NH+](C)C)CC3)cnc21 ZINC001265297987 1059818275 /nfs/dbraw/zinc/81/82/75/1059818275.db2.gz CVJXYDKOWIZHMY-UHFFFAOYSA-N 1 0 450.587 2.990 20 0 JFADRO Cc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1S(=O)(=O)NC1CC1 ZINC001265311649 1059823258 /nfs/dbraw/zinc/82/32/58/1059823258.db2.gz WBAKAXMEKCQHLV-UHFFFAOYSA-N 1 0 456.612 2.977 20 0 JFADRO Cc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1S(=O)(=O)N1CCCCC1 ZINC001265431953 1059858272 /nfs/dbraw/zinc/85/82/72/1059858272.db2.gz UPYSGESZUAJGLH-UHFFFAOYSA-N 1 0 455.624 2.999 20 0 JFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC001265849932 1059935970 /nfs/dbraw/zinc/93/59/70/1059935970.db2.gz LLFQBTZHGIDRON-RZRCNZQPSA-N 1 0 451.546 2.519 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001299747761 1059952806 /nfs/dbraw/zinc/95/28/06/1059952806.db2.gz JSYLWKBJFBKGPN-XPWALMASSA-N 1 0 467.680 2.761 20 0 JFADRO 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CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001286876032 1061292854 /nfs/dbraw/zinc/29/28/54/1061292854.db2.gz BEFBKRAQAPMOOE-UHFFFAOYSA-N 1 0 477.613 2.500 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286877671 1061296202 /nfs/dbraw/zinc/29/62/02/1061296202.db2.gz ZTWKMMPRONMHCL-KRWDZBQOSA-N 1 0 479.000 2.907 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC001286878569 1061298442 /nfs/dbraw/zinc/29/84/42/1061298442.db2.gz YSOSVOZPSZOILC-OTWHNJEPSA-N 1 0 454.623 2.549 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC001286879654 1061300851 /nfs/dbraw/zinc/30/08/51/1061300851.db2.gz HCYBFRYJFQMICQ-NNMXDRDESA-N 1 0 454.619 2.968 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286882187 1061309286 /nfs/dbraw/zinc/30/92/86/1061309286.db2.gz BEOKEBKFMMZANE-ROUUACIJSA-N 1 0 459.664 2.670 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286883551 1061314501 /nfs/dbraw/zinc/31/45/01/1061314501.db2.gz QCBZFVQTGVUZKD-AABGKKOBSA-N 1 0 472.609 2.564 20 0 JFADRO Cc1ccc(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001289714643 1061322031 /nfs/dbraw/zinc/32/20/31/1061322031.db2.gz WLULJFUBAQQJTR-NHCUHLMSSA-N 1 0 478.663 2.664 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001286885305 1061323418 /nfs/dbraw/zinc/32/34/18/1061323418.db2.gz VLNCRGHRCKOZJJ-NRFANRHFSA-N 1 0 453.635 2.833 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001289721297 1061327607 /nfs/dbraw/zinc/32/76/07/1061327607.db2.gz IDPNEQGEKRIQIL-NRFANRHFSA-N 1 0 470.618 2.608 20 0 JFADRO CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886556 1061329358 /nfs/dbraw/zinc/32/93/58/1061329358.db2.gz FRWJHZKDYDFJFN-IRLDBZIGSA-N 1 0 473.710 2.829 20 0 JFADRO CC(=O)N1CCN([C@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@@H]2C)CC1 ZINC001286886684 1061330722 /nfs/dbraw/zinc/33/07/22/1061330722.db2.gz HMPKZOYXFIHSJU-UNMCSNQZSA-N 1 0 459.683 2.655 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886975 1061332959 /nfs/dbraw/zinc/33/29/59/1061332959.db2.gz LIEWYTHLPYXJSJ-RCZVLFRGSA-N 1 0 481.689 2.912 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1C ZINC001289728932 1061339018 /nfs/dbraw/zinc/33/90/18/1061339018.db2.gz KMQDJEWKXPZMDK-LJQANCHMSA-N 1 0 467.618 2.581 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC([C@@H]4CCOC4)CC3)n2CCOCC[NH+](C)C)cc1C ZINC001289732466 1061342337 /nfs/dbraw/zinc/34/23/37/1061342337.db2.gz GAAXAVJTPPHKIY-JOCHJYFZSA-N 1 0 484.645 2.978 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[NH+]2CCCCCC2)cc1C ZINC001289733591 1061344340 /nfs/dbraw/zinc/34/43/40/1061344340.db2.gz VTLPMISXFLNXHF-VWLOTQADSA-N 1 0 467.618 2.725 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)cc1C ZINC001289735083 1061346086 /nfs/dbraw/zinc/34/60/86/1061346086.db2.gz HGSTXJOAJABWAA-RUZDIDTESA-N 1 0 467.618 2.594 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCC(=O)N(C)C)cc1C ZINC001289737017 1061349204 /nfs/dbraw/zinc/34/92/04/1061349204.db2.gz BBDOIHJUXLNMEJ-NRFANRHFSA-N 1 0 467.618 2.690 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1C ZINC001289740749 1061355025 /nfs/dbraw/zinc/35/50/25/1061355025.db2.gz PEZMXAWGYSCVRW-PZJWPPBQSA-N 1 0 481.645 2.935 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001289740793 1061355430 /nfs/dbraw/zinc/35/54/30/1061355430.db2.gz QGEWJTDVCAZICZ-UHFFFAOYSA-N 1 0 479.585 2.587 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)C)n3C[C@@H]3CCC[N@@H+]3CCCO)C2)nc1 ZINC001289746534 1061364046 /nfs/dbraw/zinc/36/40/46/1061364046.db2.gz ABALBPLPNOSXMT-SFTDATJTSA-N 1 0 469.634 2.807 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCOC4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748488 1061368971 /nfs/dbraw/zinc/36/89/71/1061368971.db2.gz RLJLLNSBJMZZAF-VQTJNVASSA-N 1 0 455.607 2.681 20 0 JFADRO Cc1ccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001289757882 1061379863 /nfs/dbraw/zinc/37/98/63/1061379863.db2.gz WMCKMYDJBNGGDE-FDDCHVKYSA-N 1 0 458.632 2.603 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001289768903 1061389602 /nfs/dbraw/zinc/38/96/02/1061389602.db2.gz MTBYGUFJFUZQIH-WOJBJXKFSA-N 1 0 493.674 2.534 20 0 JFADRO Cc1ccc(OC2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H](C3CC3)[NH+](C)C)CC2)cc1 ZINC001289769770 1061391472 /nfs/dbraw/zinc/39/14/72/1061391472.db2.gz UMBRDOBWVXOZNE-GCJKJVERSA-N 1 0 490.674 2.585 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@H](C)CC(N)=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289773480 1061394459 /nfs/dbraw/zinc/39/44/59/1061394459.db2.gz OFYLPNKMPVNHNL-AQNXPRMDSA-N 1 0 472.634 2.753 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001286904434 1061409630 /nfs/dbraw/zinc/40/96/30/1061409630.db2.gz RJUFHCFWDKQRPF-MTNXOHHFSA-N 1 0 459.664 2.604 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286904550 1061410113 /nfs/dbraw/zinc/41/01/13/1061410113.db2.gz RNOWDXRVBITFAL-LXUFWBCDSA-N 1 0 476.666 2.553 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001286904437 1061410181 /nfs/dbraw/zinc/41/01/81/1061410181.db2.gz RJUFHCFWDKQRPF-XWEVFREBSA-N 1 0 459.664 2.604 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)n2CC(=O)N(C)C)cc1 ZINC001289786245 1061410760 /nfs/dbraw/zinc/41/07/60/1061410760.db2.gz DQKLFIKCVRUFCZ-NBGIEHNGSA-N 1 0 494.644 2.507 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001286904556 1061410776 /nfs/dbraw/zinc/41/07/76/1061410776.db2.gz UOYBVGLILRNVGB-MDMXATFFSA-N 1 0 490.052 2.845 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001286904626 1061412159 /nfs/dbraw/zinc/41/21/59/1061412159.db2.gz SLSLETIRHFYUGT-UVKLAMSESA-N 1 0 484.645 2.654 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@]2([NH+](C)C)CCSC2)cc1C ZINC001289791652 1061420439 /nfs/dbraw/zinc/42/04/39/1061420439.db2.gz PFJCHCVFUXXYIJ-DVECYGJZSA-N 1 0 472.659 2.578 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC001289792760 1061426637 /nfs/dbraw/zinc/42/66/37/1061426637.db2.gz WESKAKRCVXVQPU-QUCCMNQESA-N 1 0 452.559 2.728 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1C ZINC001289798812 1061432662 /nfs/dbraw/zinc/43/26/62/1061432662.db2.gz ACQJOHRGAAQJMB-JOCHJYFZSA-N 1 0 454.619 2.906 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001286907004 1061434582 /nfs/dbraw/zinc/43/45/82/1061434582.db2.gz IDYJMMNCODEQFK-AZUAARDMSA-N 1 0 462.545 2.992 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286908941 1061448293 /nfs/dbraw/zinc/44/82/93/1061448293.db2.gz KVXDZYZLWUUOQY-UGKGYDQZSA-N 1 0 458.582 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cc1C ZINC001289809237 1061454532 /nfs/dbraw/zinc/45/45/32/1061454532.db2.gz PAXLUYNOBWQXFB-NLFFAJNJSA-N 1 0 457.619 2.981 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001289810484 1061455430 /nfs/dbraw/zinc/45/54/30/1061455430.db2.gz TVSJXFKTWNKINV-HXUWFJFHSA-N 1 0 475.659 2.911 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001289812030 1061461874 /nfs/dbraw/zinc/46/18/74/1061461874.db2.gz LJIDXKILMSOGTK-NLFFAJNJSA-N 1 0 454.619 2.858 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+](C)Cc2ccccc2)C1 ZINC001286912394 1061469642 /nfs/dbraw/zinc/46/96/42/1061469642.db2.gz KRVXFESUNGOBFC-DEOSSOPVSA-N 1 0 461.614 2.891 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCCN(C(=O)C(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC001289818593 1061476065 /nfs/dbraw/zinc/47/60/65/1061476065.db2.gz DUYSTMOBCAHOBX-QHCPKHFHSA-N 1 0 498.672 2.707 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC(=O)NCC(F)F)cc1C ZINC001289819340 1061478981 /nfs/dbraw/zinc/47/89/81/1061478981.db2.gz SLWUTICIHKNBFU-UHFFFAOYSA-N 1 0 464.561 2.776 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC2CCS(=O)(=O)CC2)cc1 ZINC001289820793 1061482890 /nfs/dbraw/zinc/48/28/90/1061482890.db2.gz ITWINBBPVRPLDR-UHFFFAOYSA-N 1 0 475.659 2.911 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001286915057 1061491091 /nfs/dbraw/zinc/49/10/91/1061491091.db2.gz NXSOBKGRYRIPIM-QHCPKHFHSA-N 1 0 453.635 2.881 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001286915434 1061493041 /nfs/dbraw/zinc/49/30/41/1061493041.db2.gz PZOXSAKDFDOVMC-HXUWFJFHSA-N 1 0 467.662 2.891 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2CC[N@@H+](C)C(C)C)cc1 ZINC001289825065 1061493993 /nfs/dbraw/zinc/49/39/93/1061493993.db2.gz VBJAOARSSFUGHH-UHFFFAOYSA-N 1 0 497.688 2.640 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286918792 1061507270 /nfs/dbraw/zinc/50/72/70/1061507270.db2.gz KTGXIKJOEVTHBN-NHCUHLMSSA-N 1 0 468.646 2.782 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001286919255 1061509216 /nfs/dbraw/zinc/50/92/16/1061509216.db2.gz NYZROOTXYFDYMB-NRFANRHFSA-N 1 0 453.616 2.733 20 0 JFADRO Cc1ccc(OCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC001289847964 1061520747 /nfs/dbraw/zinc/52/07/47/1061520747.db2.gz ALVNXKPSCJCZOB-IBGZPJMESA-N 1 0 478.663 2.586 20 0 JFADRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@H]2C1 ZINC001289852183 1061524551 /nfs/dbraw/zinc/52/45/51/1061524551.db2.gz XMNHEYZXYACMHL-DRZSPHRISA-N 1 0 453.362 2.750 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(-c3cccn3C)n2CC[NH+]2CCCCCC2)cc1 ZINC001289854661 1061525669 /nfs/dbraw/zinc/52/56/69/1061525669.db2.gz GWZVAAFAXAJMST-UHFFFAOYSA-N 1 0 499.685 2.883 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286924479 1061530542 /nfs/dbraw/zinc/53/05/42/1061530542.db2.gz ZYWVSBPVRVVLIX-QUCCMNQESA-N 1 0 456.639 2.542 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286924481 1061530568 /nfs/dbraw/zinc/53/05/68/1061530568.db2.gz ZYWVSBPVRVVLIX-UYAOXDASSA-N 1 0 456.639 2.542 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C3CC3)n2CC[NH+]2CCCCCC2)cc1 ZINC001289855761 1061531940 /nfs/dbraw/zinc/53/19/40/1061531940.db2.gz HJPZIMSPGIXJPC-UHFFFAOYSA-N 1 0 460.648 2.755 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Br)s3)n2CCOCC[NH+](C)C)C1 ZINC001286924869 1061531997 /nfs/dbraw/zinc/53/19/97/1061531997.db2.gz IOYCKCOQRORNHH-MRXNPFEDSA-N 1 0 499.479 2.700 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3F)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001289856611 1061537112 /nfs/dbraw/zinc/53/71/12/1061537112.db2.gz VPBUGJGIVKNUGV-UHFFFAOYSA-N 1 0 492.646 2.963 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286926376 1061538871 /nfs/dbraw/zinc/53/88/71/1061538871.db2.gz HAWQYMASGJJETO-OFNKIYASSA-N 1 0 454.619 2.858 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001286926856 1061541535 /nfs/dbraw/zinc/54/15/35/1061541535.db2.gz HJNZPSYDZMRYLC-VWNXMTODSA-N 1 0 461.614 2.919 20 0 JFADRO Cc1ccc(SCc2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H](C2CC2)[NH+](C)C)cc1 ZINC001289861123 1061542620 /nfs/dbraw/zinc/54/26/20/1061542620.db2.gz PVIFWNMZGKFMNY-NRFANRHFSA-N 1 0 472.659 2.514 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001289862521 1061545131 /nfs/dbraw/zinc/54/51/31/1061545131.db2.gz IKNQSRZWTZOHQA-SFTDATJTSA-N 1 0 486.686 2.783 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286928236 1061547824 /nfs/dbraw/zinc/54/78/24/1061547824.db2.gz XYUXLANGCGSCHL-IBGZPJMESA-N 1 0 460.598 2.937 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC001289868262 1061550096 /nfs/dbraw/zinc/55/00/96/1061550096.db2.gz PVCGTAOXVYBOJR-WOJBJXKFSA-N 1 0 472.659 2.691 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC001289868452 1061550593 /nfs/dbraw/zinc/55/05/93/1061550593.db2.gz RFWWSFPEJAHKFV-SANMLTNESA-N 1 0 499.729 2.854 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286929197 1061550767 /nfs/dbraw/zinc/55/07/67/1061550767.db2.gz NGHMBZNOHXKVOC-ZEQRLZLVSA-N 1 0 467.662 2.984 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001286929662 1061552025 /nfs/dbraw/zinc/55/20/25/1061552025.db2.gz QAZUNEQPWLHHRI-GMAHTHKFSA-N 1 0 468.646 2.984 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC(N4CCNC4=O)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001289870703 1061554214 /nfs/dbraw/zinc/55/42/14/1061554214.db2.gz UBUWHNTUWGHMAQ-GOSISDBHSA-N 1 0 457.648 2.823 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001286930683 1061555876 /nfs/dbraw/zinc/55/58/76/1061555876.db2.gz SUGXNPZKVUWXJD-JTHBVZDNSA-N 1 0 470.666 2.613 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001286932227 1061561080 /nfs/dbraw/zinc/56/10/80/1061561080.db2.gz PBHFEQYNEUAJQW-BKMJKUGQSA-N 1 0 490.693 2.792 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC[NH+](C4CCC4)CC3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001289878686 1061563207 /nfs/dbraw/zinc/56/32/07/1061563207.db2.gz IUTQBNCDSVZEBA-UHFFFAOYSA-N 1 0 492.715 2.881 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001286933049 1061564534 /nfs/dbraw/zinc/56/45/34/1061564534.db2.gz RQNKNUMYVACDEN-ROUUACIJSA-N 1 0 490.052 2.845 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001286933753 1061566504 /nfs/dbraw/zinc/56/65/04/1061566504.db2.gz AOFAQFFVBQQDKY-UHFFFAOYSA-N 1 0 498.672 2.673 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001286933940 1061567097 /nfs/dbraw/zinc/56/70/97/1061567097.db2.gz BXAHOAOKBBLPEN-FQEVSTJZSA-N 1 0 470.666 2.757 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@H](C)C[NH+]2CCCC2)cc1 ZINC001289880174 1061566992 /nfs/dbraw/zinc/56/69/92/1061566992.db2.gz ZMVOKSZPDRVKBS-HXUWFJFHSA-N 1 0 492.715 2.692 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286934445 1061569502 /nfs/dbraw/zinc/56/95/02/1061569502.db2.gz SWBITRHQFXLMOZ-BGYRXZFFSA-N 1 0 468.650 2.846 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001294093453 1061571874 /nfs/dbraw/zinc/57/18/74/1061571874.db2.gz DQHUFJMIIACOQX-NHCUHLMSSA-N 1 0 489.690 2.582 20 0 JFADRO Cc1cccc(C(=O)N2CCCN(c3nnc(C(=O)NC(C)C)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001289889347 1061571897 /nfs/dbraw/zinc/57/18/97/1061571897.db2.gz DKLHGYNQEFVRKY-UHFFFAOYSA-N 1 0 483.661 2.808 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001286935038 1061572801 /nfs/dbraw/zinc/57/28/01/1061572801.db2.gz LYQDUVRIXDVKIK-UHFFFAOYSA-N 1 0 453.635 2.738 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294097181 1061575490 /nfs/dbraw/zinc/57/54/90/1061575490.db2.gz YHOILGXHYSUFMV-NFBKMPQASA-N 1 0 463.648 2.673 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001286935872 1061575814 /nfs/dbraw/zinc/57/58/14/1061575814.db2.gz SRDBRJUOXJKLKJ-NHCUHLMSSA-N 1 0 478.707 2.598 20 0 JFADRO Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCC[N@@H+](C(C)C)CC2)c1 ZINC001289890807 1061576362 /nfs/dbraw/zinc/57/63/62/1061576362.db2.gz XUQLHOBSNYYXDA-JOCHJYFZSA-N 1 0 454.619 2.831 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286936292 1061577856 /nfs/dbraw/zinc/57/78/56/1061577856.db2.gz YSYKYQLKKNDCOP-FGZHOGPDSA-N 1 0 458.582 2.924 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294099284 1061580194 /nfs/dbraw/zinc/58/01/94/1061580194.db2.gz MHRIYMMFOMXLNY-BOCITWAFSA-N 1 0 493.693 2.939 20 0 JFADRO CCCC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)C1 ZINC001294103160 1061582838 /nfs/dbraw/zinc/58/28/38/1061582838.db2.gz JHRSVOWZUJRBMA-QHCPKHFHSA-N 1 0 456.631 2.512 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001286940575 1061583421 /nfs/dbraw/zinc/58/34/21/1061583421.db2.gz CEBJVBNHQGEWDE-HSZRJFAPSA-N 1 0 454.619 2.799 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001294103385 1061583652 /nfs/dbraw/zinc/58/36/52/1061583652.db2.gz JMVOPQHUGCTGCL-CEXWTWQISA-N 1 0 455.694 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286941107 1061586697 /nfs/dbraw/zinc/58/66/97/1061586697.db2.gz KEQJGBMPFCHGOT-FXAWDEMLSA-N 1 0 474.675 2.813 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)[NH+](C)C)CCO1 ZINC001286941362 1061589085 /nfs/dbraw/zinc/58/90/85/1061589085.db2.gz JMMIZAXYAVWBDE-FXAWDEMLSA-N 1 0 472.977 2.836 20 0 JFADRO Cc1cccc(C)c1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001289903210 1061589749 /nfs/dbraw/zinc/58/97/49/1061589749.db2.gz VJJAWYSKZORPDT-IBGZPJMESA-N 1 0 478.663 2.551 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](CC(C)C)[NH+](C)C)CCO1 ZINC001286942299 1061593945 /nfs/dbraw/zinc/59/39/45/1061593945.db2.gz UBHJSDRTGPMTQE-NHCUHLMSSA-N 1 0 463.026 2.916 20 0 JFADRO C[N@H+](CCNC(=O)C1CCN(C(=O)Cc2cccc3nsnc32)CC1)Cc1ccccc1 ZINC001294113205 1061595142 /nfs/dbraw/zinc/59/51/42/1061595142.db2.gz VJNWTSAYJWKLLG-UHFFFAOYSA-N 1 0 451.596 2.721 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001289908203 1061596026 /nfs/dbraw/zinc/59/60/26/1061596026.db2.gz FAGUBMDVMHPUCF-LEWJYISDSA-N 1 0 476.629 2.559 20 0 JFADRO CCc1ccc([C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC001294131080 1061612001 /nfs/dbraw/zinc/61/20/01/1061612001.db2.gz RUPDHYZEFZZQMP-HSZRJFAPSA-N 1 0 454.596 2.930 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCC[N@H+]2CCCC[C@@H]2C)CCO1 ZINC001286944476 1061612761 /nfs/dbraw/zinc/61/27/61/1061612761.db2.gz AQWOKNIKBPWQAX-CVDCTZTESA-N 1 0 488.608 2.602 20 0 JFADRO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC001294135262 1061616301 /nfs/dbraw/zinc/61/63/01/1061616301.db2.gz DBCMBHYVWFGNSP-IBGZPJMESA-N 1 0 452.555 2.519 20 0 JFADRO O=C(Cc1cccc(N2CCCC2=O)c1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294143976 1061630373 /nfs/dbraw/zinc/63/03/73/1061630373.db2.gz BILGIVJSSWLUGV-UHFFFAOYSA-N 1 0 454.615 2.587 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC001286946468 1061635142 /nfs/dbraw/zinc/63/51/42/1061635142.db2.gz PPDOFVJSYHERBA-RCZVLFRGSA-N 1 0 482.673 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC001286946904 1061640028 /nfs/dbraw/zinc/64/00/28/1061640028.db2.gz RPNJSRDQBUIGDH-DHIUTWEWSA-N 1 0 460.667 2.863 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289954465 1061649539 /nfs/dbraw/zinc/64/95/39/1061649539.db2.gz MIXQREUDYSIAOR-NRFANRHFSA-N 1 0 482.677 2.558 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948001 1061651894 /nfs/dbraw/zinc/65/18/94/1061651894.db2.gz SOICCGNRIKKRKB-DNQXCXABSA-N 1 0 484.645 2.627 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CCO1 ZINC001286948150 1061655253 /nfs/dbraw/zinc/65/52/53/1061655253.db2.gz ZNFCCVYCIVFWJD-WBWMCNGVSA-N 1 0 482.673 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286948258 1061656330 /nfs/dbraw/zinc/65/63/30/1061656330.db2.gz VEVMYIVDTRWOAB-HXUWFJFHSA-N 1 0 460.648 2.560 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001286948771 1061663875 /nfs/dbraw/zinc/66/38/75/1061663875.db2.gz WGEIOPLZLKZIRA-GMAHTHKFSA-N 1 0 489.064 2.984 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](NC(=O)NC4CC4)C3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001289960620 1061666485 /nfs/dbraw/zinc/66/64/85/1061666485.db2.gz WFFPMBGRTULZRL-HXUWFJFHSA-N 1 0 454.623 2.808 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCCCC[NH+]2CCCC2)n1 ZINC001289962173 1061668783 /nfs/dbraw/zinc/66/87/83/1061668783.db2.gz TVJVYSCOFRITMP-UHFFFAOYSA-N 1 0 460.648 2.928 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001289962307 1061669495 /nfs/dbraw/zinc/66/94/95/1061669495.db2.gz WHIDDGSBSZJHNK-WCAVRKLYSA-N 1 0 460.648 2.782 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001294172398 1061673962 /nfs/dbraw/zinc/67/39/62/1061673962.db2.gz KOQNYMCNLNRFND-UHFFFAOYSA-N 1 0 468.650 2.942 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001294172860 1061676302 /nfs/dbraw/zinc/67/63/02/1061676302.db2.gz FEDDBSIWCXVDBW-SFTDATJTSA-N 1 0 473.666 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001289973607 1061685439 /nfs/dbraw/zinc/68/54/39/1061685439.db2.gz ITVXQBKPWVMWHX-SIKLNZKXSA-N 1 0 453.635 2.977 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289974212 1061687665 /nfs/dbraw/zinc/68/76/65/1061687665.db2.gz LRSOQVJNFMCJFC-NHCUHLMSSA-N 1 0 491.706 2.733 20 0 JFADRO CC(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001286951837 1061692467 /nfs/dbraw/zinc/69/24/67/1061692467.db2.gz FRPHMRZJNNLDAZ-SFTDATJTSA-N 1 0 485.652 2.529 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)n1 ZINC001289975292 1061692928 /nfs/dbraw/zinc/69/29/28/1061692928.db2.gz QTSBCVJUPJSDHX-RTWAWAEBSA-N 1 0 489.690 2.679 20 0 JFADRO CCCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001294183928 1061694963 /nfs/dbraw/zinc/69/49/63/1061694963.db2.gz NBWLRSZWOQCOKF-UHFFFAOYSA-N 1 0 490.722 2.809 20 0 JFADRO CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286952543 1061696812 /nfs/dbraw/zinc/69/68/12/1061696812.db2.gz SFQBEORJFZTWDU-UHFFFAOYSA-N 1 0 475.037 2.597 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001294188764 1061698158 /nfs/dbraw/zinc/69/81/58/1061698158.db2.gz GGUGJMFLTZZIKB-NRFANRHFSA-N 1 0 459.587 2.959 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(=O)N4CCCCC4)CC3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289984025 1061707544 /nfs/dbraw/zinc/70/75/44/1061707544.db2.gz XJDJBDPVXWGWGO-QHCPKHFHSA-N 1 0 496.704 2.759 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294205938 1061710029 /nfs/dbraw/zinc/71/00/29/1061710029.db2.gz ITDXPENPDVXNOV-UHFFFAOYSA-N 1 0 475.682 2.623 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001294208466 1061711076 /nfs/dbraw/zinc/71/10/76/1061711076.db2.gz DSCPVRMFAWYMQM-QFIPXVFZSA-N 1 0 462.683 2.841 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H]2CC(F)(F)CO2)n1 ZINC001289985828 1061711230 /nfs/dbraw/zinc/71/12/30/1061711230.db2.gz SDFCYOWVRKBGGB-SFHVURJKSA-N 1 0 450.534 2.620 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2CCCc2cnn(C)n2)n1 ZINC001289986152 1061711804 /nfs/dbraw/zinc/71/18/04/1061711804.db2.gz WCZORLZYDKGACW-UHFFFAOYSA-N 1 0 451.623 2.968 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)CC1 ZINC001294209615 1061712398 /nfs/dbraw/zinc/71/23/98/1061712398.db2.gz WUBKTYPRGIPWLC-OAQYLSRUSA-N 1 0 481.707 2.945 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001289987780 1061712746 /nfs/dbraw/zinc/71/27/46/1061712746.db2.gz CUXONYSDILDKPH-KRWDZBQOSA-N 1 0 454.497 2.527 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OC)CC1 ZINC001294209671 1061713095 /nfs/dbraw/zinc/71/30/95/1061713095.db2.gz YEWHDSYZONQQHY-HXUWFJFHSA-N 1 0 455.607 2.629 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001294209856 1061713369 /nfs/dbraw/zinc/71/33/69/1061713369.db2.gz BWOXORHNRGMYPR-FQEVSTJZSA-N 1 0 469.590 2.520 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 ZINC001294210522 1061714638 /nfs/dbraw/zinc/71/46/38/1061714638.db2.gz LELVWQUUBJNWRT-HXUWFJFHSA-N 1 0 455.607 2.910 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCOCC2)CC1 ZINC001294210520 1061714727 /nfs/dbraw/zinc/71/47/27/1061714727.db2.gz LELNXEABOBBWBX-UHFFFAOYSA-N 1 0 456.635 2.754 20 0 JFADRO C[N@H+](CCCOc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)s1)C1CCCC1 ZINC001294210620 1061715721 /nfs/dbraw/zinc/71/57/21/1061715721.db2.gz LJBNCKUIOKMYGW-UHFFFAOYSA-N 1 0 451.614 2.969 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001294211909 1061717082 /nfs/dbraw/zinc/71/70/82/1061717082.db2.gz VZENKNUYBFICAI-RBBKRZOGSA-N 1 0 481.645 2.936 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 ZINC001294211934 1061717263 /nfs/dbraw/zinc/71/72/63/1061717263.db2.gz WPNUSDXPVLPWFQ-NRFANRHFSA-N 1 0 492.690 2.976 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294212004 1061717975 /nfs/dbraw/zinc/71/79/75/1061717975.db2.gz XKKBYPHVJNZHMV-UHFFFAOYSA-N 1 0 492.628 2.536 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001294213728 1061721532 /nfs/dbraw/zinc/72/15/32/1061721532.db2.gz CMTHATPVEONLAM-XMMPIXPASA-N 1 0 459.591 2.690 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(F)ccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294214307 1061722473 /nfs/dbraw/zinc/72/24/73/1061722473.db2.gz GSHJDZFEEDYCKT-SFHVURJKSA-N 1 0 497.413 2.530 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294214574 1061723169 /nfs/dbraw/zinc/72/31/69/1061723169.db2.gz JDBMPPOQGRBCOX-INIZCTEOSA-N 1 0 450.534 2.945 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001294216898 1061725463 /nfs/dbraw/zinc/72/54/63/1061725463.db2.gz KPQKQTBQDCOQTD-IBGZPJMESA-N 1 0 492.690 2.931 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001286959010 1061727068 /nfs/dbraw/zinc/72/70/68/1061727068.db2.gz RKSIJFZYOPMIKK-OPYAIIAOSA-N 1 0 487.674 2.554 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001294217137 1061727104 /nfs/dbraw/zinc/72/71/04/1061727104.db2.gz BTLSQFPVXITSLY-NRFANRHFSA-N 1 0 458.582 2.644 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001294217905 1061729145 /nfs/dbraw/zinc/72/91/45/1061729145.db2.gz ARFOWSIOEZYLPR-UHFFFAOYSA-N 1 0 470.647 2.871 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001294219395 1061731038 /nfs/dbraw/zinc/73/10/38/1061731038.db2.gz YJVGXQHEHWUPLY-UYAOXDASSA-N 1 0 459.547 2.808 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001294224588 1061734858 /nfs/dbraw/zinc/73/48/58/1061734858.db2.gz VFADCEJYHXOUBO-QFIPXVFZSA-N 1 0 482.677 2.513 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294225550 1061736724 /nfs/dbraw/zinc/73/67/24/1061736724.db2.gz FHCSGNCVSQVXRR-VXKWHMMOSA-N 1 0 459.660 2.981 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001294225759 1061737418 /nfs/dbraw/zinc/73/74/18/1061737418.db2.gz HTICVKDMLBVMOO-NRFANRHFSA-N 1 0 454.619 2.913 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1 ZINC001294225719 1061737454 /nfs/dbraw/zinc/73/74/54/1061737454.db2.gz GTDUORCNFJKLSL-RTBURBONSA-N 1 0 466.627 2.544 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001294226159 1061739043 /nfs/dbraw/zinc/73/90/43/1061739043.db2.gz PHXCGXACNOQUSY-IBGZPJMESA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001294228008 1061742261 /nfs/dbraw/zinc/74/22/61/1061742261.db2.gz KDXGBXPUWCBANM-HSZRJFAPSA-N 1 0 472.663 2.851 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001294228938 1061744968 /nfs/dbraw/zinc/74/49/68/1061744968.db2.gz VBCWFSLQCGYIAE-UZLBHIALSA-N 1 0 462.545 2.814 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001294230695 1061748002 /nfs/dbraw/zinc/74/80/02/1061748002.db2.gz ZRXRUYDWWBAGSG-YZUZCNPQSA-N 1 0 459.639 2.644 20 0 JFADRO CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@H+](C)CC1 ZINC001290031950 1061748335 /nfs/dbraw/zinc/74/83/35/1061748335.db2.gz ALIDQWZMRUBZKB-INIZCTEOSA-N 1 0 454.445 2.558 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCOC[C@H]3C)CC2)c1 ZINC001290033138 1061749076 /nfs/dbraw/zinc/74/90/76/1061749076.db2.gz BFTARONDGYMOQZ-IRLDBZIGSA-N 1 0 454.619 2.720 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCOC[C@@H]3C)CC2)c1 ZINC001290033140 1061749196 /nfs/dbraw/zinc/74/91/96/1061749196.db2.gz BFTARONDGYMOQZ-UNMCSNQZSA-N 1 0 454.619 2.720 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CCN(C)CC(F)(F)F)CC2)c1 ZINC001290033940 1061750697 /nfs/dbraw/zinc/75/06/97/1061750697.db2.gz MWLZHCIBERGUJK-UHFFFAOYSA-N 1 0 493.578 2.639 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCS(C)(=O)=O)CC2)c1 ZINC001290037283 1061753749 /nfs/dbraw/zinc/75/37/49/1061753749.db2.gz JHJKJWNCIRQFNK-JOCHJYFZSA-N 1 0 475.659 2.628 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290042032 1061759002 /nfs/dbraw/zinc/75/90/02/1061759002.db2.gz ZILAHRZZJXMLRM-NHCUHLMSSA-N 1 0 497.688 2.852 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@H]2C)c1 ZINC001290043849 1061760300 /nfs/dbraw/zinc/76/03/00/1061760300.db2.gz FGEWWJZDDZBOSQ-VAMGGRTRSA-N 1 0 463.648 2.908 20 0 JFADRO C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973928 1061765221 /nfs/dbraw/zinc/76/52/21/1061765221.db2.gz YKEOVNRVVAILFU-IFMALSPDSA-N 1 0 489.709 2.677 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290053094 1061770220 /nfs/dbraw/zinc/77/02/20/1061770220.db2.gz VRAWHPJINPFCRA-GGAORHGYSA-N 1 0 457.619 2.995 20 0 JFADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001294287865 1061775354 /nfs/dbraw/zinc/77/53/54/1061775354.db2.gz RSCGFXVBBUKMSW-JTHBVZDNSA-N 1 0 456.635 2.683 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC001290058066 1061777622 /nfs/dbraw/zinc/77/76/22/1061777622.db2.gz BZSQMNRZZIZXOX-VQTJNVASSA-N 1 0 454.619 2.988 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290060459 1061781246 /nfs/dbraw/zinc/78/12/46/1061781246.db2.gz VRKRVFQUORNBML-WOJBJXKFSA-N 1 0 454.619 2.988 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1([NH+](C)C)CCOCC1)S(C)(=O)=O ZINC001286976155 1061781627 /nfs/dbraw/zinc/78/16/27/1061781627.db2.gz IBFHDVRHNJGYML-MTQWCTHYSA-N 1 0 499.722 2.565 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2nncn2C)c1 ZINC001290062649 1061784938 /nfs/dbraw/zinc/78/49/38/1061784938.db2.gz CQNIKBXYUWZTBJ-UHFFFAOYSA-N 1 0 452.607 2.899 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001290062960 1061786821 /nfs/dbraw/zinc/78/68/21/1061786821.db2.gz RRUBRKZWTVHETQ-PZJWPPBQSA-N 1 0 461.632 2.521 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001286977321 1061790493 /nfs/dbraw/zinc/79/04/93/1061790493.db2.gz RMIRIFSWFSUOGA-LQWHRVPQSA-N 1 0 463.648 2.540 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001286977316 1061790571 /nfs/dbraw/zinc/79/05/71/1061790571.db2.gz RMIRIFSWFSUOGA-DBXWQHBBSA-N 1 0 463.648 2.540 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294306085 1061793577 /nfs/dbraw/zinc/79/35/77/1061793577.db2.gz BFTWAZVUHXTVQA-OALUTQOASA-N 1 0 470.618 2.929 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294308781 1061797304 /nfs/dbraw/zinc/79/73/04/1061797304.db2.gz VAAOUBVHZSSUSV-QZTJIDSGSA-N 1 0 472.556 2.936 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)c1 ZINC001290071445 1061797600 /nfs/dbraw/zinc/79/76/00/1061797600.db2.gz MLIZORXPIXVKPK-UYAOXDASSA-N 1 0 452.559 2.728 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294309118 1061798375 /nfs/dbraw/zinc/79/83/75/1061798375.db2.gz YHEPGOBXHFDZIV-QGZVFWFLSA-N 1 0 474.572 2.965 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001286978443 1061798416 /nfs/dbraw/zinc/79/84/16/1061798416.db2.gz GZIWANXXJBSYHZ-RTBURBONSA-N 1 0 485.658 2.581 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001294309425 1061799295 /nfs/dbraw/zinc/79/92/95/1061799295.db2.gz AQZXBHBMYSXPDQ-FQEVSTJZSA-N 1 0 454.623 2.872 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294312343 1061804046 /nfs/dbraw/zinc/80/40/46/1061804046.db2.gz YXXRYRKLNWLWFF-OAQYLSRUSA-N 1 0 489.690 2.855 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294313212 1061804993 /nfs/dbraw/zinc/80/49/93/1061804993.db2.gz BLDXXNKWNFHHET-GOTSBHOMSA-N 1 0 468.646 2.783 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294315147 1061805817 /nfs/dbraw/zinc/80/58/17/1061805817.db2.gz AEPXSIWMUMSZQO-VAMGGRTRSA-N 1 0 453.653 2.798 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC001290078055 1061807619 /nfs/dbraw/zinc/80/76/19/1061807619.db2.gz QINLZGNQNAMBPE-HXUWFJFHSA-N 1 0 461.632 2.521 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCO[C@@H](Cn4cccn4)C3)n2CC[N@@H+](C)C(C)C)c1 ZINC001290078615 1061808856 /nfs/dbraw/zinc/80/88/56/1061808856.db2.gz WXNFBQOCFYAFEG-JOCHJYFZSA-N 1 0 453.591 2.608 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294316070 1061809579 /nfs/dbraw/zinc/80/95/79/1061809579.db2.gz DIQQVZNGAYEDPY-ICSRJNTNSA-N 1 0 458.582 2.962 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[NH+]1CCCC1 ZINC001286979982 1061810248 /nfs/dbraw/zinc/81/02/48/1061810248.db2.gz JVHDUEQMOYFBPK-UXHICEINSA-N 1 0 485.658 2.875 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294316390 1061810869 /nfs/dbraw/zinc/81/08/69/1061810869.db2.gz OFQSARHIKXHGAI-JOCHJYFZSA-N 1 0 459.660 2.953 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 ZINC001294317254 1061813021 /nfs/dbraw/zinc/81/30/21/1061813021.db2.gz KLYBFFHPBACXFI-LJQANCHMSA-N 1 0 458.582 2.977 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCCC1 ZINC001286980610 1061814640 /nfs/dbraw/zinc/81/46/40/1061814640.db2.gz KWTBTRHKVXIUHV-QZTJIDSGSA-N 1 0 458.632 2.790 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001294317698 1061814785 /nfs/dbraw/zinc/81/47/85/1061814785.db2.gz XVXCHYUHDWBNGF-MBDNFAEBSA-N 1 0 496.722 2.890 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001294317697 1061815021 /nfs/dbraw/zinc/81/50/21/1061815021.db2.gz XVXCHYUHDWBNGF-KJJMTIBFSA-N 1 0 496.722 2.890 20 0 JFADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCCCC2)CC1 ZINC001290085568 1061817329 /nfs/dbraw/zinc/81/73/29/1061817329.db2.gz CQKAWLZIXPBARX-UHFFFAOYSA-N 1 0 481.645 2.609 20 0 JFADRO Cc1cccc2c1CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCCC(C)(C)C1)C2 ZINC001290085641 1061817355 /nfs/dbraw/zinc/81/73/55/1061817355.db2.gz VYTFKSDFHQHAEQ-IBGZPJMESA-N 1 0 474.675 2.881 20 0 JFADRO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC2)C1 ZINC001294318748 1061819498 /nfs/dbraw/zinc/81/94/98/1061819498.db2.gz WOLVERNVMQHRCW-UXHICEINSA-N 1 0 482.633 2.542 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294318975 1061820279 /nfs/dbraw/zinc/82/02/79/1061820279.db2.gz XPFUMLFORWFWER-OFVILXPXSA-N 1 0 476.666 2.643 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001294318970 1061820480 /nfs/dbraw/zinc/82/04/80/1061820480.db2.gz XPELATLUQKFFJR-VXKWHMMOSA-N 1 0 487.693 2.796 20 0 JFADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C ZINC001290092970 1061824416 /nfs/dbraw/zinc/82/44/16/1061824416.db2.gz CKICYKLXVSITQB-TZIWHRDSSA-N 1 0 492.690 2.705 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286983013 1061831493 /nfs/dbraw/zinc/83/14/93/1061831493.db2.gz VBDSWOWOQQOBIZ-HLIPFELVSA-N 1 0 484.066 2.703 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286983182 1061833305 /nfs/dbraw/zinc/83/33/05/1061833305.db2.gz RJGQPFGFZSDGJA-QYZOEREBSA-N 1 0 488.658 2.531 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CCN2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290107683 1061835442 /nfs/dbraw/zinc/83/54/42/1061835442.db2.gz QBTMXMZKBAHPCZ-UHFFFAOYSA-N 1 0 470.662 2.911 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001294326218 1061837113 /nfs/dbraw/zinc/83/71/13/1061837113.db2.gz PWBIPSFQRAMRCP-PCCBWWKXSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001294327555 1061843786 /nfs/dbraw/zinc/84/37/86/1061843786.db2.gz ARLAQONVDAZVML-MYDTUXCISA-N 1 0 490.693 2.804 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1CC(C)(C)C[NH+](C)C ZINC001290117177 1061844549 /nfs/dbraw/zinc/84/45/49/1061844549.db2.gz IKWFOBABTRWKRQ-HXUWFJFHSA-N 1 0 467.618 2.608 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001294328445 1061845372 /nfs/dbraw/zinc/84/53/72/1061845372.db2.gz DBFUOKZRJCUIJG-KJJMTIBFSA-N 1 0 487.693 2.871 20 0 JFADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001286984986 1061849672 /nfs/dbraw/zinc/84/96/72/1061849672.db2.gz OWZRQCQZMOIUQW-QHCPKHFHSA-N 1 0 497.688 2.755 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001294330858 1061850991 /nfs/dbraw/zinc/85/09/91/1061850991.db2.gz BKUMZECXEAFBBG-YPAWHYETSA-N 1 0 487.693 2.767 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(CC3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294331353 1061854999 /nfs/dbraw/zinc/85/49/99/1061854999.db2.gz FGZOWAMGEUBTAG-RBBKRZOGSA-N 1 0 474.694 2.987 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001290125019 1061855219 /nfs/dbraw/zinc/85/52/19/1061855219.db2.gz KFMHISWBJAWRHT-UXHICEINSA-N 1 0 460.648 2.503 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CCc3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294331666 1061855591 /nfs/dbraw/zinc/85/55/91/1061855591.db2.gz HDUXAQRZWHAZTC-CIXCFARBSA-N 1 0 482.673 2.651 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001286985739 1061856660 /nfs/dbraw/zinc/85/66/60/1061856660.db2.gz BFDUMQOQFQBLPW-IBGZPJMESA-N 1 0 458.582 2.833 20 0 JFADRO CC(C)(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C1 ZINC001286985893 1061858112 /nfs/dbraw/zinc/85/81/12/1061858112.db2.gz HXCWIEDMYFBASO-LJQANCHMSA-N 1 0 454.623 2.600 20 0 JFADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C1 ZINC001286985892 1061858263 /nfs/dbraw/zinc/85/82/63/1061858263.db2.gz HXCWIEDMYFBASO-IBGZPJMESA-N 1 0 454.623 2.600 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290129974 1061863512 /nfs/dbraw/zinc/86/35/12/1061863512.db2.gz XZDOSRGDHSZJQZ-OAQYLSRUSA-N 1 0 468.646 2.795 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O ZINC001290133982 1061869144 /nfs/dbraw/zinc/86/91/44/1061869144.db2.gz YKBPWRQDRIOFJH-QFIPXVFZSA-N 1 0 470.662 2.646 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001294335848 1061872798 /nfs/dbraw/zinc/87/27/98/1061872798.db2.gz RODVWAJABGLGMV-YADHBBJMSA-N 1 0 487.693 2.911 20 0 JFADRO CC(C)(C)c1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCCC2)cc1 ZINC001286988433 1061875436 /nfs/dbraw/zinc/87/54/36/1061875436.db2.gz AIQPYNCXJOPPRA-IBGZPJMESA-N 1 0 454.619 2.952 20 0 JFADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCCCC2)CCO1 ZINC001290143021 1061878440 /nfs/dbraw/zinc/87/84/40/1061878440.db2.gz BIJQVMARLYDQCA-UNMCSNQZSA-N 1 0 490.674 2.651 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CC[NH+](CC)CC2)C1 ZINC001294338569 1061880038 /nfs/dbraw/zinc/88/00/38/1061880038.db2.gz VMPYOMODOVGUEH-OAQYLSRUSA-N 1 0 461.699 2.736 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001294340900 1061885029 /nfs/dbraw/zinc/88/50/29/1061885029.db2.gz AAXYYQJJTKYYMZ-RTWAWAEBSA-N 1 0 470.666 2.933 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001294341158 1061887567 /nfs/dbraw/zinc/88/75/67/1061887567.db2.gz DASBYUBPSUNPQU-RBBKRZOGSA-N 1 0 468.650 2.988 20 0 JFADRO Cc1ccccc1[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+](C(C)C)C(C)C)CCO1 ZINC001290146652 1061889248 /nfs/dbraw/zinc/88/92/48/1061889248.db2.gz XOXUGUCXRXJWDA-UNMCSNQZSA-N 1 0 492.690 2.893 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001294341785 1061890664 /nfs/dbraw/zinc/89/06/64/1061890664.db2.gz KGIKNHDUVWGJNZ-LJQANCHMSA-N 1 0 454.623 2.742 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001290159535 1061901646 /nfs/dbraw/zinc/90/16/46/1061901646.db2.gz SXDGMRHNHAAIIB-XMMPIXPASA-N 1 0 482.673 2.719 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@@H](NC(=O)C(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001290167026 1061910422 /nfs/dbraw/zinc/91/04/22/1061910422.db2.gz MOOSPEDQHRLYNK-JOCHJYFZSA-N 1 0 470.687 2.967 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001294349149 1061913337 /nfs/dbraw/zinc/91/33/37/1061913337.db2.gz NBTMUBAQSYBLSJ-VXKWHMMOSA-N 1 0 453.635 2.738 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001294349121 1061913388 /nfs/dbraw/zinc/91/33/88/1061913388.db2.gz LWWVJZWYMNRZRL-UHFFFAOYSA-N 1 0 473.666 2.521 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001294349329 1061913971 /nfs/dbraw/zinc/91/39/71/1061913971.db2.gz ORDALJSZMLAWNV-UHFFFAOYSA-N 1 0 461.699 2.734 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001290171529 1061915640 /nfs/dbraw/zinc/91/56/40/1061915640.db2.gz XPTJCQYAHYZQDF-NRFANRHFSA-N 1 0 459.660 2.923 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287004103 1061921491 /nfs/dbraw/zinc/92/14/91/1061921491.db2.gz JVIKACVHFPFNCY-RTBURBONSA-N 1 0 454.610 2.996 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001287004570 1061922556 /nfs/dbraw/zinc/92/25/56/1061922556.db2.gz KUYLDAPBFXWCNY-IBGZPJMESA-N 1 0 466.696 2.844 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001290175357 1061922762 /nfs/dbraw/zinc/92/27/62/1061922762.db2.gz YRMZCSWEIPFBEH-HSZRJFAPSA-N 1 0 495.716 2.896 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001290175368 1061922947 /nfs/dbraw/zinc/92/29/47/1061922947.db2.gz YVFLPVMZWGUZQH-QFIPXVFZSA-N 1 0 481.689 2.556 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001294357327 1061925872 /nfs/dbraw/zinc/92/58/72/1061925872.db2.gz JTVNGPVYXFZIFQ-UHFFFAOYSA-N 1 0 497.688 2.632 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001294358269 1061928505 /nfs/dbraw/zinc/92/85/05/1061928505.db2.gz OIFQGAXRMMLYMY-UHFFFAOYSA-N 1 0 483.661 2.708 20 0 JFADRO Cc1ccccc1O[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001290199676 1061941953 /nfs/dbraw/zinc/94/19/53/1061941953.db2.gz LVXUMPICDKBSIZ-SFTDATJTSA-N 1 0 484.645 2.882 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001294373847 1061946586 /nfs/dbraw/zinc/94/65/86/1061946586.db2.gz IOBNUNSQFLNHBP-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO 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CC(C)(C)OC(=O)NCCCOC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001294395129 1061966619 /nfs/dbraw/zinc/96/66/19/1061966619.db2.gz WTFFPPHVJKFMTG-UHFFFAOYSA-N 1 0 453.624 2.800 20 0 JFADRO CCCCOCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001294402562 1061970055 /nfs/dbraw/zinc/97/00/55/1061970055.db2.gz HTFAGGXKYSVZRE-UHFFFAOYSA-N 1 0 467.618 2.976 20 0 JFADRO CCCCOCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294402451 1061970098 /nfs/dbraw/zinc/97/00/98/1061970098.db2.gz TZXOVOAECKHNPU-OAQYLSRUSA-N 1 0 470.618 2.513 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001287027749 1061974401 /nfs/dbraw/zinc/97/44/01/1061974401.db2.gz CFZGIKOYTFNLJD-GBXCKJPGSA-N 1 0 481.707 2.509 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001287028765 1061976674 /nfs/dbraw/zinc/97/66/74/1061976674.db2.gz KLRBPYOIOJGZDZ-FQEVSTJZSA-N 1 0 460.667 2.994 20 0 JFADRO 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CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC1(SC)CC[NH+](C)CC1 ZINC001294434876 1061988965 /nfs/dbraw/zinc/98/89/65/1061988965.db2.gz NRJNWHSGZXGQPM-UHFFFAOYSA-N 1 0 455.632 2.866 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCCC2(C)C)C1 ZINC001294453586 1061997714 /nfs/dbraw/zinc/99/77/14/1061997714.db2.gz BEGDJIYXMIKDPL-RBUKOAKNSA-N 1 0 455.607 2.909 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001294453585 1061997938 /nfs/dbraw/zinc/99/79/38/1061997938.db2.gz BEGDJIYXMIKDPL-OALUTQOASA-N 1 0 455.607 2.909 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)C1 ZINC001294453926 1061998916 /nfs/dbraw/zinc/99/89/16/1061998916.db2.gz JXGOSZXVFAYNMR-TZIWHRDSSA-N 1 0 467.618 2.594 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)C1 ZINC001294454122 1062000042 /nfs/dbraw/zinc/00/00/42/1062000042.db2.gz OBYXPCZTTARYNQ-SFHVURJKSA-N 1 0 488.040 2.523 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454420 1062000185 /nfs/dbraw/zinc/00/01/85/1062000185.db2.gz QYAGGQPYYQKONA-UXHICEINSA-N 1 0 491.681 2.986 20 0 JFADRO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C2)c1 ZINC001290271522 1062001052 /nfs/dbraw/zinc/00/10/52/1062001052.db2.gz KOOKOYFKKTWYFD-LEWJYISDSA-N 1 0 456.639 2.883 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455083 1062001311 /nfs/dbraw/zinc/00/13/11/1062001311.db2.gz CDCYYZHIVMTZFS-OZXSUGGESA-N 1 0 490.693 2.745 20 0 JFADRO C[NH+]1CCN(CCCNC(=O)c2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)CC1 ZINC001290271930 1062001770 /nfs/dbraw/zinc/00/17/70/1062001770.db2.gz WGNVVZHXTGBPPG-UHFFFAOYSA-N 1 0 451.637 2.625 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N2CCOCC2)C1 ZINC001294455429 1062002468 /nfs/dbraw/zinc/00/24/68/1062002468.db2.gz DMTMHIGIIQURCM-ZWKOTPCHSA-N 1 0 494.482 2.925 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N2CCOCC2)C1 ZINC001294455425 1062002719 /nfs/dbraw/zinc/00/27/19/1062002719.db2.gz DMTMHIGIIQURCM-MSOLQXFVSA-N 1 0 494.482 2.925 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456827 1062004758 /nfs/dbraw/zinc/00/47/58/1062004758.db2.gz KBFFDQCACRUCRV-QZTJIDSGSA-N 1 0 466.627 2.552 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 ZINC001294459001 1062006061 /nfs/dbraw/zinc/00/60/61/1062006061.db2.gz RSEYPEOOZCIOOW-MRXNPFEDSA-N 1 0 476.427 2.886 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)C1 ZINC001294459627 1062006312 /nfs/dbraw/zinc/00/63/12/1062006312.db2.gz VEKDZZJMYPAXAN-ROUUACIJSA-N 1 0 456.570 2.902 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287039732 1062006413 /nfs/dbraw/zinc/00/64/13/1062006413.db2.gz NACCBZJYSADFOS-GOSISDBHSA-N 1 0 458.573 2.977 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294460033 1062007886 /nfs/dbraw/zinc/00/78/86/1062007886.db2.gz AKWGKRHWBJKYKU-RTBURBONSA-N 1 0 491.658 2.565 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287041057 1062008282 /nfs/dbraw/zinc/00/82/82/1062008282.db2.gz CSPUBNOWYSKWFF-UHFFFAOYSA-N 1 0 452.669 2.529 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001287041370 1062009060 /nfs/dbraw/zinc/00/90/60/1062009060.db2.gz JIAKRSLWIULHAJ-UHFFFAOYSA-N 1 0 495.694 2.533 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001287041526 1062009122 /nfs/dbraw/zinc/00/91/22/1062009122.db2.gz KNWDEAZHYSUYKW-HXUWFJFHSA-N 1 0 473.666 2.580 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 ZINC001287041380 1062009294 /nfs/dbraw/zinc/00/92/94/1062009294.db2.gz JOCZFMYXCVRXLD-OAQYLSRUSA-N 1 0 462.683 2.841 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccccn2)CC1 ZINC001287041579 1062009980 /nfs/dbraw/zinc/00/99/80/1062009980.db2.gz MYQUJFJXZGTTHN-LJQANCHMSA-N 1 0 454.623 2.685 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)C1 ZINC001294461179 1062010558 /nfs/dbraw/zinc/01/05/58/1062010558.db2.gz SZKKWXWQDNVHJQ-QGZVFWFLSA-N 1 0 456.591 2.614 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)CC1 ZINC001287041801 1062010580 /nfs/dbraw/zinc/01/05/80/1062010580.db2.gz RSXWQISERJRDPD-UHFFFAOYSA-N 1 0 476.666 2.544 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc(Cc4cccnc4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001290280830 1062011292 /nfs/dbraw/zinc/01/12/92/1062011292.db2.gz SICGOERAEVXZPH-PKTZIBPZSA-N 1 0 466.634 2.651 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001287042212 1062011834 /nfs/dbraw/zinc/01/18/34/1062011834.db2.gz DPAXSAGNBZRXDW-UHFFFAOYSA-N 1 0 496.077 2.849 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294463066 1062013553 /nfs/dbraw/zinc/01/35/53/1062013553.db2.gz OIBDHQFLWYFDTB-RBUKOAKNSA-N 1 0 461.632 2.557 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC(F)F)CC1 ZINC001287043017 1062013799 /nfs/dbraw/zinc/01/37/99/1062013799.db2.gz LWTVOHIADDUCSX-UHFFFAOYSA-N 1 0 457.529 2.795 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)C1 ZINC001294467215 1062015428 /nfs/dbraw/zinc/01/54/28/1062015428.db2.gz FFUNKNVSSIPRPL-BVSLBCMMSA-N 1 0 475.659 2.736 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001287043528 1062015977 /nfs/dbraw/zinc/01/59/77/1062015977.db2.gz GNFBECSXKZJKDC-HXUWFJFHSA-N 1 0 472.609 2.591 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)C1 ZINC001294467850 1062017434 /nfs/dbraw/zinc/01/74/34/1062017434.db2.gz JYROISXTIKJCDN-UEXGIBASSA-N 1 0 455.694 2.634 20 0 JFADRO 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CCC[NH+]1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001294666992 1062220545 /nfs/dbraw/zinc/22/05/45/1062220545.db2.gz OYJAOTCANMDNNJ-UHFFFAOYSA-N 1 0 454.619 2.989 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CCS(=O)CC2)CC1 ZINC001294667206 1062221223 /nfs/dbraw/zinc/22/12/23/1062221223.db2.gz USHBGWNHSPYDLN-UHFFFAOYSA-N 1 0 461.632 2.556 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001294667359 1062221791 /nfs/dbraw/zinc/22/17/91/1062221791.db2.gz YTQPPXGQUUJSTG-FQEVSTJZSA-N 1 0 454.619 2.954 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@H](CNC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001294670206 1062226798 /nfs/dbraw/zinc/22/67/98/1062226798.db2.gz PRUYTNPQSFDETH-BVAGGSTKSA-N 1 0 490.693 2.793 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)C1 ZINC001294670230 1062227473 /nfs/dbraw/zinc/22/74/73/1062227473.db2.gz QIOKQKZNFCFCNZ-IBGZPJMESA-N 1 0 492.665 2.958 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294670699 1062228807 /nfs/dbraw/zinc/22/88/07/1062228807.db2.gz UWUBGYKSQXYNCQ-QFIPXVFZSA-N 1 0 470.666 2.566 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001294674235 1062233216 /nfs/dbraw/zinc/23/32/16/1062233216.db2.gz DKLYGYQKYGOCRL-UHFFFAOYSA-N 1 0 473.666 2.664 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2OC)CC1 ZINC001294674498 1062233719 /nfs/dbraw/zinc/23/37/19/1062233719.db2.gz JIQBJGFCUUWNCE-UHFFFAOYSA-N 1 0 470.618 2.890 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001294675052 1062235650 /nfs/dbraw/zinc/23/56/50/1062235650.db2.gz FEZPPIBBWDNCPU-MRXNPFEDSA-N 1 0 481.667 2.533 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2CC(=O)N(C)CC)CC1 ZINC001294675266 1062236244 /nfs/dbraw/zinc/23/62/44/1062236244.db2.gz HKWJDDJFQHIPJC-UHFFFAOYSA-N 1 0 480.455 2.835 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001294682586 1062240820 /nfs/dbraw/zinc/24/08/20/1062240820.db2.gz DIRKBAUBPBPVJA-WOJBJXKFSA-N 1 0 475.659 2.958 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2ccccc2)CC1 ZINC001294682584 1062240947 /nfs/dbraw/zinc/24/09/47/1062240947.db2.gz DIRKBAUBPBPVJA-UXHICEINSA-N 1 0 475.659 2.958 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCOC2)CC1 ZINC001294682805 1062240970 /nfs/dbraw/zinc/24/09/70/1062240970.db2.gz IWHNMKIQTLAXDG-FPOVZHCZSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(NC(C)=O)cc2)CC1 ZINC001294682932 1062241529 /nfs/dbraw/zinc/24/15/29/1062241529.db2.gz BVACIYDUNIHIDG-QFIPXVFZSA-N 1 0 467.618 2.741 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001294682939 1062241823 /nfs/dbraw/zinc/24/18/23/1062241823.db2.gz CCQNABLEAASWCY-UHFFFAOYSA-N 1 0 480.617 2.515 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001294685159 1062245717 /nfs/dbraw/zinc/24/57/17/1062245717.db2.gz BKEFRWYSEVQPCZ-NRFANRHFSA-N 1 0 460.648 2.542 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CCCc2cnn(C)c2)CC1 ZINC001294685168 1062245852 /nfs/dbraw/zinc/24/58/52/1062245852.db2.gz BTLBIBRADIYQGG-UHFFFAOYSA-N 1 0 453.639 2.817 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001294687142 1062247414 /nfs/dbraw/zinc/24/74/14/1062247414.db2.gz VTDHTRZHHHONRA-JGCGQSQUSA-N 1 0 461.680 2.752 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2CC(=O)Nc2c(C)cccc2C)CC1 ZINC001294686945 1062247549 /nfs/dbraw/zinc/24/75/49/1062247549.db2.gz RRFWVEZNZIJZQO-UHFFFAOYSA-N 1 0 481.645 2.967 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 ZINC001294687189 1062248159 /nfs/dbraw/zinc/24/81/59/1062248159.db2.gz WPQKIIPCLDRMIH-UHFFFAOYSA-N 1 0 471.646 2.924 20 0 JFADRO CC(C)(C)S(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001287084457 1062251073 /nfs/dbraw/zinc/25/10/73/1062251073.db2.gz PTXJIZGIAWAPFZ-UHFFFAOYSA-N 1 0 481.707 2.773 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)CC1 ZINC001294691936 1062251220 /nfs/dbraw/zinc/25/12/20/1062251220.db2.gz CZIWJNRYWGHHLM-KDURUIRLSA-N 1 0 491.681 2.884 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294691958 1062251242 /nfs/dbraw/zinc/25/12/42/1062251242.db2.gz DXIYIHIUDJOMFD-FQEVSTJZSA-N 1 0 489.665 2.836 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001294693873 1062254163 /nfs/dbraw/zinc/25/41/63/1062254163.db2.gz IKSBAAAXBFBYCJ-RTWAWAEBSA-N 1 0 496.660 2.883 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001294694692 1062255456 /nfs/dbraw/zinc/25/54/56/1062255456.db2.gz LMKINDCTDOMJTG-DZRGJMJISA-N 1 0 476.666 2.845 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001294695561 1062257217 /nfs/dbraw/zinc/25/72/17/1062257217.db2.gz OBTVGGMEHFAZCT-OAQYLSRUSA-N 1 0 498.676 2.737 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294695962 1062257955 /nfs/dbraw/zinc/25/79/55/1062257955.db2.gz BEZVGZAHZZCNRV-YADHBBJMSA-N 1 0 454.619 2.859 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294697095 1062258468 /nfs/dbraw/zinc/25/84/68/1062258468.db2.gz SZEJONBUMARNFV-WWNPGLIZSA-N 1 0 459.683 2.655 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001294697096 1062258620 /nfs/dbraw/zinc/25/86/20/1062258620.db2.gz SZEJONBUMARNFV-YMPZKCBVSA-N 1 0 459.683 2.655 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697612 1062259311 /nfs/dbraw/zinc/25/93/11/1062259311.db2.gz VCGZRQWBYBWNAX-QBPKDAKJSA-N 1 0 480.601 2.787 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](C)C[NH+]3CCOCC3)CC2)cs1 ZINC001290470230 1062261488 /nfs/dbraw/zinc/26/14/88/1062261488.db2.gz YWKAXQYOCLSFIF-LJQANCHMSA-N 1 0 461.680 2.532 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC001290470823 1062262071 /nfs/dbraw/zinc/26/20/71/1062262071.db2.gz OLUWENUQGODBDC-HXUWFJFHSA-N 1 0 455.559 2.819 20 0 JFADRO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001290475139 1062266572 /nfs/dbraw/zinc/26/65/72/1062266572.db2.gz WZJPQJLELGZZKN-HSZRJFAPSA-N 1 0 469.615 2.615 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294700961 1062266589 /nfs/dbraw/zinc/26/65/89/1062266589.db2.gz YZTYXYLRKMMZAX-FQEVSTJZSA-N 1 0 475.663 2.513 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294706715 1062270119 /nfs/dbraw/zinc/27/01/19/1062270119.db2.gz CSKSMGBSPHEBQW-NHCUHLMSSA-N 1 0 460.648 2.536 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001294706711 1062270492 /nfs/dbraw/zinc/27/04/92/1062270492.db2.gz CROMTXIFAQKWMD-UXHICEINSA-N 1 0 487.674 2.639 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001294706821 1062270920 /nfs/dbraw/zinc/27/09/20/1062270920.db2.gz LTCOGUFEJSBMMR-QFIPXVFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294706717 1062271254 /nfs/dbraw/zinc/27/12/54/1062271254.db2.gz CSKSMGBSPHEBQW-SFTDATJTSA-N 1 0 460.648 2.536 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294707879 1062272678 /nfs/dbraw/zinc/27/26/78/1062272678.db2.gz BTAWIJKFIBSYRC-PPJWLVRDSA-N 1 0 490.693 2.936 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294708525 1062275617 /nfs/dbraw/zinc/27/56/17/1062275617.db2.gz RHBNUNPJBJETBO-ZRBLBEILSA-N 1 0 489.709 2.821 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708575 1062275700 /nfs/dbraw/zinc/27/57/00/1062275700.db2.gz SEPWKUORRGGTND-UXHICEINSA-N 1 0 496.703 2.573 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709373 1062276805 /nfs/dbraw/zinc/27/68/05/1062276805.db2.gz VGCFGCOAYBURDM-LEWJYISDSA-N 1 0 462.639 2.961 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294710149 1062278435 /nfs/dbraw/zinc/27/84/35/1062278435.db2.gz LDDSLQKHCSMYIO-PMVMPFDFSA-N 1 0 476.666 2.714 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294710153 1062279080 /nfs/dbraw/zinc/27/90/80/1062279080.db2.gz LDDSLQKHCSMYIO-WWNPGLIZSA-N 1 0 476.666 2.714 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294712166 1062281506 /nfs/dbraw/zinc/28/15/06/1062281506.db2.gz QEVJXXGXOIKKGT-FGTMMUONSA-N 1 0 472.556 2.899 20 0 JFADRO CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001287090302 1062281546 /nfs/dbraw/zinc/28/15/46/1062281546.db2.gz XCSMUWXHXNPFST-CGKQSPDFSA-N 1 0 467.680 2.616 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294712597 1062282836 /nfs/dbraw/zinc/28/28/36/1062282836.db2.gz UPCMXPFUIZUBCR-ICSRJNTNSA-N 1 0 487.674 2.591 20 0 JFADRO CC(C)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC001287091408 1062284915 /nfs/dbraw/zinc/28/49/15/1062284915.db2.gz ZHNBAERBPKNSON-INIZCTEOSA-N 1 0 481.523 2.672 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294713170 1062285743 /nfs/dbraw/zinc/28/57/43/1062285743.db2.gz UQBKWPFTQHNFRF-WBADGQHESA-N 1 0 490.693 2.803 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc([C@H]4CCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)s1 ZINC001290496797 1062286664 /nfs/dbraw/zinc/28/66/64/1062286664.db2.gz TVMDADLMCVSQME-PMACEKPBSA-N 1 0 461.680 2.845 20 0 JFADRO CC(C)(Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001287092314 1062287334 /nfs/dbraw/zinc/28/73/34/1062287334.db2.gz CVCCWRLAWRTMKG-OAQYLSRUSA-N 1 0 459.660 2.951 20 0 JFADRO CC(C)(Cn1c(CCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCCC1 ZINC001287092313 1062287500 /nfs/dbraw/zinc/28/75/00/1062287500.db2.gz CVCCWRLAWRTMKG-NRFANRHFSA-N 1 0 459.660 2.951 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294713762 1062288165 /nfs/dbraw/zinc/28/81/65/1062288165.db2.gz ZYWOUNMSLDCCMN-PMACEKPBSA-N 1 0 470.618 2.832 20 0 JFADRO O=C(c1cc(F)c(F)cc1I)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001294718565 1062290209 /nfs/dbraw/zinc/29/02/09/1062290209.db2.gz JMAGBSSYJMZKMQ-GFCCVEGCSA-N 1 0 450.267 2.896 20 0 JFADRO CC(C)(Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCCC1 ZINC001287093608 1062292170 /nfs/dbraw/zinc/29/21/70/1062292170.db2.gz LKMICTHWLUWTGF-DLBZAZTESA-N 1 0 472.556 2.899 20 0 JFADRO CC(C)(Cn1c(-c2cc(F)ccc2Br)nnc1N1CCNC(=O)C1)C[NH+]1CCCC1 ZINC001287094092 1062294492 /nfs/dbraw/zinc/29/44/92/1062294492.db2.gz RFHZBUAHOKPMTK-UHFFFAOYSA-N 1 0 479.398 2.905 20 0 JFADRO CC(C)(Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001287095241 1062297886 /nfs/dbraw/zinc/29/78/86/1062297886.db2.gz VLXOGMCNYOZTIJ-OAQYLSRUSA-N 1 0 480.723 2.898 20 0 JFADRO CC(C)(Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001287095239 1062297993 /nfs/dbraw/zinc/29/79/93/1062297993.db2.gz VLXOGMCNYOZTIJ-NRFANRHFSA-N 1 0 480.723 2.898 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287099318 1062307834 /nfs/dbraw/zinc/30/78/34/1062307834.db2.gz XMTPICFOIWOYRJ-AWEZNQCLSA-N 1 0 470.437 2.699 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001294733195 1062314328 /nfs/dbraw/zinc/31/43/28/1062314328.db2.gz LBRUHQHFDKLAPM-VXKWHMMOSA-N 1 0 454.619 2.842 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294733666 1062315487 /nfs/dbraw/zinc/31/54/87/1062315487.db2.gz MSODWNUOILOXSZ-XZOQPEGZSA-N 1 0 490.693 2.758 20 0 JFADRO CCCN1CCCN(c2nnc(CC(C)C)n2CC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC001294734041 1062316315 /nfs/dbraw/zinc/31/63/15/1062316315.db2.gz MIEGDRUKGIHNJC-UHFFFAOYSA-N 1 0 460.667 2.960 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC001287108894 1062320345 /nfs/dbraw/zinc/32/03/45/1062320345.db2.gz GJIQHLIJJMMIDN-FQEVSTJZSA-N 1 0 468.631 2.794 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001294735505 1062320692 /nfs/dbraw/zinc/32/06/92/1062320692.db2.gz UZKLUJGAQYDQCY-BGYRXZFFSA-N 1 0 474.675 2.878 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001287109137 1062321498 /nfs/dbraw/zinc/32/14/98/1062321498.db2.gz HCRQRSIVFOAJBZ-RBBKRZOGSA-N 1 0 472.609 2.919 20 0 JFADRO CCCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCCC[C@H]2CC)CC1=O ZINC001294739826 1062323060 /nfs/dbraw/zinc/32/30/60/1062323060.db2.gz JYCGCIZZOGCWKV-JOCHJYFZSA-N 1 0 470.666 2.853 20 0 JFADRO Cc1nccn1CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001290523893 1062324508 /nfs/dbraw/zinc/32/45/08/1062324508.db2.gz UABWYDCELDKYBG-UHFFFAOYSA-N 1 0 478.523 2.636 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287112101 1062327741 /nfs/dbraw/zinc/32/77/41/1062327741.db2.gz GREYGQLDRPLRQS-QFIPXVFZSA-N 1 0 486.636 2.550 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001287112204 1062328278 /nfs/dbraw/zinc/32/82/78/1062328278.db2.gz JTVDFOCMMOYEPL-NRFANRHFSA-N 1 0 465.602 2.855 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001294743496 1062331769 /nfs/dbraw/zinc/33/17/69/1062331769.db2.gz AXZJMYMALXWYNO-SFHVURJKSA-N 1 0 494.566 2.874 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001294743746 1062332934 /nfs/dbraw/zinc/33/29/34/1062332934.db2.gz GVZQJBWGMXBCPD-IRLDBZIGSA-N 1 0 481.645 2.984 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OCC)cc2C1 ZINC001294743960 1062334439 /nfs/dbraw/zinc/33/44/39/1062334439.db2.gz IDECAKLNRAHCTB-NQIIRXRSSA-N 1 0 490.674 2.724 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001290537398 1062337407 /nfs/dbraw/zinc/33/74/07/1062337407.db2.gz BDFGJOWQDABRGP-UHFFFAOYSA-N 1 0 456.639 2.765 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001294745169 1062337866 /nfs/dbraw/zinc/33/78/66/1062337866.db2.gz KCUTXQFKGKJHNN-RXVVDRJESA-N 1 0 456.591 2.552 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294745759 1062338136 /nfs/dbraw/zinc/33/81/36/1062338136.db2.gz WJAHCEYQVIBEMB-NRFANRHFSA-N 1 0 490.674 2.736 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCc1cnccn1 ZINC001294745714 1062338445 /nfs/dbraw/zinc/33/84/45/1062338445.db2.gz VDSMXWRUDBEJPA-NRFANRHFSA-N 1 0 483.642 2.692 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001294746023 1062338955 /nfs/dbraw/zinc/33/89/55/1062338955.db2.gz YMGRMCIIQJSTIS-MJGOQNOKSA-N 1 0 486.617 2.547 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294752986 1062341354 /nfs/dbraw/zinc/34/13/54/1062341354.db2.gz FGPYKXMRVXVPJM-CMKODMSKSA-N 1 0 470.622 2.959 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001294753188 1062342045 /nfs/dbraw/zinc/34/20/45/1062342045.db2.gz ILOWJTXGVPPSOC-HKUYNNGSSA-N 1 0 471.631 2.992 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001294752988 1062342288 /nfs/dbraw/zinc/34/22/88/1062342288.db2.gz FGPYKXMRVXVPJM-WSTZPKSXSA-N 1 0 470.622 2.959 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1OC ZINC001294754706 1062343999 /nfs/dbraw/zinc/34/39/99/1062343999.db2.gz HLZYOTPWODZMRL-RTWAWAEBSA-N 1 0 475.659 2.742 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001294756021 1062346074 /nfs/dbraw/zinc/34/60/74/1062346074.db2.gz WHGFFHFDZKDWKF-MHECFPHRSA-N 1 0 459.639 2.556 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 ZINC001294757112 1062347123 /nfs/dbraw/zinc/34/71/23/1062347123.db2.gz JJMUYQTUYHJQHR-IBGZPJMESA-N 1 0 461.636 2.787 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001294757422 1062347234 /nfs/dbraw/zinc/34/72/34/1062347234.db2.gz LHEUWENQLJKIDD-CPJSRVTESA-N 1 0 454.619 2.648 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294760091 1062350154 /nfs/dbraw/zinc/35/01/54/1062350154.db2.gz JWHXFFAQQKGICL-YZIHRLCOSA-N 1 0 490.693 2.936 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CC)n2C[C@H](C(C)C)N2CCOCC2)c2ccccc2c1=O ZINC001294763089 1062351533 /nfs/dbraw/zinc/35/15/33/1062351533.db2.gz ACEHAYNGHZQHBW-OAQYLSRUSA-N 1 0 467.618 2.878 20 0 JFADRO CCCn1nc(-c2nnc(N(C)Cc3cnn(CC)c3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294764721 1062354243 /nfs/dbraw/zinc/35/42/43/1062354243.db2.gz DLFVIGJJEFHWOU-SFHVURJKSA-N 1 0 477.617 2.868 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294764905 1062354779 /nfs/dbraw/zinc/35/47/79/1062354779.db2.gz PYAUHBFGUUFTSF-UFYCRDLUSA-N 1 0 489.665 2.926 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001287118511 1062355589 /nfs/dbraw/zinc/35/55/89/1062355589.db2.gz HINOGSFJPCLMCN-NRFANRHFSA-N 1 0 454.619 2.885 20 0 JFADRO O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001290553367 1062355557 /nfs/dbraw/zinc/35/55/57/1062355557.db2.gz AWJWVWSRBCKRTI-RCZVLFRGSA-N 1 0 452.555 2.953 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294766601 1062359609 /nfs/dbraw/zinc/35/96/09/1062359609.db2.gz DBZFJQVSPLRFFM-QZTJIDSGSA-N 1 0 453.591 2.630 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC[C@@H](OC)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294766603 1062359835 /nfs/dbraw/zinc/35/98/35/1062359835.db2.gz DBZFJQVSPLRFFM-ZWKOTPCHSA-N 1 0 453.591 2.630 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287120143 1062361837 /nfs/dbraw/zinc/36/18/37/1062361837.db2.gz ICIGNORACCLPSJ-HXUWFJFHSA-N 1 0 472.609 2.672 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001287120397 1062362442 /nfs/dbraw/zinc/36/24/42/1062362442.db2.gz QMIHHSDTQBENKA-PZJWPPBQSA-N 1 0 473.666 2.625 20 0 JFADRO CCCn1nc(-c2nnc(N3CCC(C(=O)OC)CC3)n2CC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001294769236 1062365005 /nfs/dbraw/zinc/36/50/05/1062365005.db2.gz TWFHTZOHVTWBJN-UHFFFAOYSA-N 1 0 495.628 2.795 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001287121890 1062370048 /nfs/dbraw/zinc/37/00/48/1062370048.db2.gz JLMFTQYEEBTCKA-RTWAWAEBSA-N 1 0 489.709 2.507 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001287122179 1062371556 /nfs/dbraw/zinc/37/15/56/1062371556.db2.gz CUPCKUYXCBGXKG-HXUWFJFHSA-N 1 0 470.666 2.932 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001287122801 1062374594 /nfs/dbraw/zinc/37/45/94/1062374594.db2.gz WZHNWYFXERBSIF-IBGZPJMESA-N 1 0 487.674 2.506 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001287124119 1062380429 /nfs/dbraw/zinc/38/04/29/1062380429.db2.gz GPKKPAMNACVMHX-ILWGZMRPSA-N 1 0 487.693 2.728 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287124290 1062381532 /nfs/dbraw/zinc/38/15/32/1062381532.db2.gz HMNRCLCGZRWWME-VXKWHMMOSA-N 1 0 489.709 2.534 20 0 JFADRO CCN1CCC([NH+]2CCC(C(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001294783062 1062389445 /nfs/dbraw/zinc/38/94/45/1062389445.db2.gz RJEVTYTVGHDOGV-HXUWFJFHSA-N 1 0 457.537 2.758 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290583451 1062391573 /nfs/dbraw/zinc/39/15/73/1062391573.db2.gz HREWZPWJHFNNEE-SFTDATJTSA-N 1 0 471.654 2.788 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC[N@H+](C)C(C)(C)C3)C2)n1 ZINC001290583482 1062391595 /nfs/dbraw/zinc/39/15/95/1062391595.db2.gz IKSHGWUPNOYYFJ-NRFANRHFSA-N 1 0 457.671 2.552 20 0 JFADRO CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001287126944 1062394760 /nfs/dbraw/zinc/39/47/60/1062394760.db2.gz GDDCBQGZWDTTTG-UNMCSNQZSA-N 1 0 487.693 2.872 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001290586681 1062396671 /nfs/dbraw/zinc/39/66/71/1062396671.db2.gz OSDSAUWBCPMBTN-VQTJNVASSA-N 1 0 479.695 2.662 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[NH+]2CCCC2)C1 ZINC001294789194 1062396772 /nfs/dbraw/zinc/39/67/72/1062396772.db2.gz JVVUUFKJLHOQHG-LJQANCHMSA-N 1 0 470.618 2.801 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294791059 1062407361 /nfs/dbraw/zinc/40/73/61/1062407361.db2.gz SRDICHREDVRZIG-QZTJIDSGSA-N 1 0 458.607 2.655 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001294791493 1062408112 /nfs/dbraw/zinc/40/81/12/1062408112.db2.gz NGNSGWBQLDASAB-NRFANRHFSA-N 1 0 452.603 2.958 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3scnc3C)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001290592817 1062414255 /nfs/dbraw/zinc/41/42/55/1062414255.db2.gz AGJFDZRSOQYXCY-UHFFFAOYSA-N 1 0 472.663 2.776 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H]2CCCCO2)n1 ZINC001290594332 1062415322 /nfs/dbraw/zinc/41/53/22/1062415322.db2.gz RKJRDAZWDWOCGO-NRFANRHFSA-N 1 0 459.639 2.503 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001294794377 1062421358 /nfs/dbraw/zinc/42/13/58/1062421358.db2.gz HOJAHKLFBWWDIX-IFMALSPDSA-N 1 0 476.629 2.998 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001294794406 1062422515 /nfs/dbraw/zinc/42/25/15/1062422515.db2.gz HXEOVLNCTNBZHG-UXHICEINSA-N 1 0 457.623 2.517 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3cnn(Cc4ccccc4)c3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290599130 1062426638 /nfs/dbraw/zinc/42/66/38/1062426638.db2.gz DLHONZYONHBGRK-OAQYLSRUSA-N 1 0 461.618 2.971 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001294797499 1062433524 /nfs/dbraw/zinc/43/35/24/1062433524.db2.gz SBZXEGFLRMECBV-XPWALMASSA-N 1 0 495.672 2.837 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ncnn3CC(F)F)n2C[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290605592 1062440850 /nfs/dbraw/zinc/44/08/50/1062440850.db2.gz VBMVIPWZLQAADT-SFHVURJKSA-N 1 0 490.607 2.753 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605649 1062441684 /nfs/dbraw/zinc/44/16/84/1062441684.db2.gz LELOMSLYRWFFHO-QHCPKHFHSA-N 1 0 486.709 2.807 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC[N@H+](C)C(C)C)C1 ZINC001294800663 1062441720 /nfs/dbraw/zinc/44/17/20/1062441720.db2.gz NKJNIHOOZRHBFB-JOCHJYFZSA-N 1 0 497.692 2.535 20 0 JFADRO C[C@@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[N@@H+]1Cc1ccccc1 ZINC001294801246 1062444129 /nfs/dbraw/zinc/44/41/29/1062444129.db2.gz GBXZKBMDLBQBPH-RHSMWYFYSA-N 1 0 456.340 2.824 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287134025 1062447592 /nfs/dbraw/zinc/44/75/92/1062447592.db2.gz XZBKCTCDBWHDMK-UHFFFAOYSA-N 1 0 497.692 2.535 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290607151 1062449567 /nfs/dbraw/zinc/44/95/67/1062449567.db2.gz MOUNTZUBSZXPDG-FKBYEOEOSA-N 1 0 459.639 2.644 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCCCO3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001290607152 1062450709 /nfs/dbraw/zinc/45/07/09/1062450709.db2.gz MOUNTZUBSZXPDG-VSKRKVRLSA-N 1 0 459.639 2.644 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(CCO)Cc3ccccc3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001290611787 1062453706 /nfs/dbraw/zinc/45/37/06/1062453706.db2.gz WEJJXSNCPPETRP-UHFFFAOYSA-N 1 0 451.619 2.871 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001294805745 1062457616 /nfs/dbraw/zinc/45/76/16/1062457616.db2.gz UYNLFSUCUYAZAT-RBBKRZOGSA-N 1 0 453.635 2.881 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290612608 1062457851 /nfs/dbraw/zinc/45/78/51/1062457851.db2.gz PEMCLIPRNLZRAR-SFTDATJTSA-N 1 0 461.655 2.890 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H](C)O[C@]4(CCCOC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001290616735 1062468031 /nfs/dbraw/zinc/46/80/31/1062468031.db2.gz CZPHQCIOACXOPG-SGIRGMQISA-N 1 0 473.666 2.890 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290617582 1062471519 /nfs/dbraw/zinc/47/15/19/1062471519.db2.gz KPKDHMHVGJSZBQ-UXHICEINSA-N 1 0 472.638 2.680 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC(C)(C)OC[C@@H]3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC001290618155 1062473806 /nfs/dbraw/zinc/47/38/06/1062473806.db2.gz SWRPQXNVDSJCSX-PWRODBHTSA-N 1 0 459.639 2.643 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287136965 1062474716 /nfs/dbraw/zinc/47/47/16/1062474716.db2.gz OUQUODXIWASEAQ-OAQYLSRUSA-N 1 0 498.031 2.621 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)n2CC[N@H+]2CC=CCC2)n1 ZINC001290620624 1062482352 /nfs/dbraw/zinc/48/23/52/1062482352.db2.gz MELRFKZSYZZEMM-JOCHJYFZSA-N 1 0 481.567 2.931 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](CC(C)C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290624604 1062490269 /nfs/dbraw/zinc/49/02/69/1062490269.db2.gz CVECDNFYLQFZOI-GOTSBHOMSA-N 1 0 484.693 2.955 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2CC[NH+](CCC(C)C)CC2)n1 ZINC001290624981 1062493175 /nfs/dbraw/zinc/49/31/75/1062493175.db2.gz VRHJIUGGURWITQ-VWLOTQADSA-N 1 0 470.666 2.600 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cccc(C(N)=O)c2)n1 ZINC001290625426 1062494510 /nfs/dbraw/zinc/49/45/10/1062494510.db2.gz KGILGEVLJSYRGU-UHFFFAOYSA-N 1 0 478.645 2.844 20 0 JFADRO CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001287140799 1062497476 /nfs/dbraw/zinc/49/74/76/1062497476.db2.gz SMWJARHZQASZMC-NRFANRHFSA-N 1 0 454.619 2.655 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOCC2(C)C)CC1 ZINC001294821521 1062503338 /nfs/dbraw/zinc/50/33/38/1062503338.db2.gz BAXDTTVRNJXTDA-UHFFFAOYSA-N 1 0 484.645 2.807 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H]([N@H+](C)Cc4ccccc4)C3)n2CCC(=O)NC(C)C)n1 ZINC001290630000 1062503385 /nfs/dbraw/zinc/50/33/85/1062503385.db2.gz WZVMYPUQKHRNON-QHCPKHFHSA-N 1 0 478.645 2.765 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001294821974 1062504839 /nfs/dbraw/zinc/50/48/39/1062504839.db2.gz CCZUJHKEWACINF-QFIPXVFZSA-N 1 0 480.592 2.920 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(OC(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001290631940 1062508450 /nfs/dbraw/zinc/50/84/50/1062508450.db2.gz TVTIPAFCPVIDFR-HSZRJFAPSA-N 1 0 461.680 2.971 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](OCC(C)C)C3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001290632127 1062508938 /nfs/dbraw/zinc/50/89/38/1062508938.db2.gz VZJUDSZAKHESCS-NZQKXSOJSA-N 1 0 461.680 2.828 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001290635441 1062515065 /nfs/dbraw/zinc/51/50/65/1062515065.db2.gz LTSCURNTPNGHTK-QHCPKHFHSA-N 1 0 484.693 2.860 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@H](C)C[NH+]2CCCC2)n1 ZINC001290635989 1062517116 /nfs/dbraw/zinc/51/71/16/1062517116.db2.gz RAPHLSWITDLXAV-DENIHFKCSA-N 1 0 470.666 2.613 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCCC[NH+]2CCCCC2)n1 ZINC001290636046 1062517587 /nfs/dbraw/zinc/51/75/87/1062517587.db2.gz RQEDCBFBYIBSEG-QFIPXVFZSA-N 1 0 491.706 2.809 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001290636171 1062518079 /nfs/dbraw/zinc/51/80/79/1062518079.db2.gz UKZWWWPYKOSVTH-RBUKOAKNSA-N 1 0 470.647 2.596 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001294830362 1062518350 /nfs/dbraw/zinc/51/83/50/1062518350.db2.gz VWMPHGTWVSBSBZ-OAQYLSRUSA-N 1 0 473.666 2.626 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001287151144 1062522439 /nfs/dbraw/zinc/52/24/39/1062522439.db2.gz ROWDHYDYQZRVBM-AREMUKBSSA-N 1 0 470.662 3.000 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001287151366 1062523056 /nfs/dbraw/zinc/52/30/56/1062523056.db2.gz ABSCFXTWXWZOPD-KSEOMHKRSA-N 1 0 487.693 2.727 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001294833916 1062523612 /nfs/dbraw/zinc/52/36/12/1062523612.db2.gz JPBAWPBZJIMLIW-SCPDWHHUSA-N 1 0 490.693 2.865 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(=O)NCCc2ccccc2)n1 ZINC001290639403 1062523720 /nfs/dbraw/zinc/52/37/20/1062523720.db2.gz ICSXEYCNOWQDDK-UHFFFAOYSA-N 1 0 492.672 2.809 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCCCCC2)CC1 ZINC001294834094 1062524183 /nfs/dbraw/zinc/52/41/83/1062524183.db2.gz LKCCJENNDNZYLC-VXKWHMMOSA-N 1 0 476.666 2.621 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290640131 1062525907 /nfs/dbraw/zinc/52/59/07/1062525907.db2.gz RSQCVBZQMXHNJW-DENIHFKCSA-N 1 0 470.666 2.709 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290640793 1062527929 /nfs/dbraw/zinc/52/79/29/1062527929.db2.gz LNXKJNZBWAXNQL-OAQYLSRUSA-N 1 0 484.693 2.955 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)CC1 ZINC001287153065 1062528600 /nfs/dbraw/zinc/52/86/00/1062528600.db2.gz LMUUEDAALAOWHL-ZWKOTPCHSA-N 1 0 494.644 2.921 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001287153171 1062530211 /nfs/dbraw/zinc/53/02/11/1062530211.db2.gz NFDUIFWBPTYRGU-HXUWFJFHSA-N 1 0 468.650 2.988 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001290641678 1062530369 /nfs/dbraw/zinc/53/03/69/1062530369.db2.gz ZGNGYQNPPIOQIY-HKBOAZHASA-N 1 0 459.639 2.643 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC001290642097 1062532002 /nfs/dbraw/zinc/53/20/02/1062532002.db2.gz VNDJWQQVRRFWCR-KNQAVFIVSA-N 1 0 470.666 2.565 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001287153990 1062533352 /nfs/dbraw/zinc/53/33/52/1062533352.db2.gz VLPFABSXOOUSSY-LJQANCHMSA-N 1 0 459.683 2.559 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCC[NH+]2CCCCC2)n1 ZINC001290645046 1062533807 /nfs/dbraw/zinc/53/38/07/1062533807.db2.gz DBZCHPHENPOOHO-JOCHJYFZSA-N 1 0 470.666 2.709 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC001290645650 1062535550 /nfs/dbraw/zinc/53/55/50/1062535550.db2.gz CIJKHKOELQUIGY-LJQANCHMSA-N 1 0 482.599 2.944 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(F)c4F)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290645711 1062536067 /nfs/dbraw/zinc/53/60/67/1062536067.db2.gz LCICDIFUTPFODM-GOSISDBHSA-N 1 0 458.561 2.695 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4cccc(F)c4F)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290645713 1062536352 /nfs/dbraw/zinc/53/63/52/1062536352.db2.gz LCICDIFUTPFODM-SFHVURJKSA-N 1 0 458.561 2.695 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001287156348 1062543020 /nfs/dbraw/zinc/54/30/20/1062543020.db2.gz INVNZXLJVZWUNL-SIKLNZKXSA-N 1 0 475.659 2.942 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(F)F)CC3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001290647804 1062543015 /nfs/dbraw/zinc/54/30/15/1062543015.db2.gz PROYDGOPMSBEFN-UHFFFAOYSA-N 1 0 464.609 2.791 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001287156459 1062543590 /nfs/dbraw/zinc/54/35/90/1062543590.db2.gz OEDONVLPOKQPCV-QUCCMNQESA-N 1 0 481.567 2.770 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290648382 1062544863 /nfs/dbraw/zinc/54/48/63/1062544863.db2.gz UCAGVUOPPYFSNH-DEOSSOPVSA-N 1 0 486.709 2.807 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1)[NH+]1CCCC1 ZINC001287157059 1062546433 /nfs/dbraw/zinc/54/64/33/1062546433.db2.gz LYQAXKBDJVOTSR-OAQYLSRUSA-N 1 0 460.648 2.916 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001287157371 1062547298 /nfs/dbraw/zinc/54/72/98/1062547298.db2.gz WJSRUNIEIQMWML-QUCCMNQESA-N 1 0 483.583 2.713 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)[C@@H](F)C3)n2Cc2ccccc2OCC[NH+](C)C)n1 ZINC001290652635 1062550757 /nfs/dbraw/zinc/55/07/57/1062550757.db2.gz KRNYQMXJQLMTMF-UTKZUKDTSA-N 1 0 455.582 2.923 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001287158666 1062552218 /nfs/dbraw/zinc/55/22/18/1062552218.db2.gz GWKXPLYRNKYYAN-VQTJNVASSA-N 1 0 462.639 2.863 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158600 1062552406 /nfs/dbraw/zinc/55/24/06/1062552406.db2.gz FUNUUCRNAAKFPE-ACESQOTJSA-N 1 0 462.683 2.838 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001290654680 1062554569 /nfs/dbraw/zinc/55/45/69/1062554569.db2.gz RUIUDDSCTGRVSO-HBMCJLEFSA-N 1 0 461.680 2.707 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCS[C@H](C)[C@H]3C)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001290654682 1062554690 /nfs/dbraw/zinc/55/46/90/1062554690.db2.gz RUIUDDSCTGRVSO-NJYVYQBISA-N 1 0 461.680 2.707 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287159518 1062556261 /nfs/dbraw/zinc/55/62/61/1062556261.db2.gz BYPOPMMIPCBIOS-PZJWPPBQSA-N 1 0 463.623 2.752 20 0 JFADRO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cnn(C)c4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001290656033 1062556770 /nfs/dbraw/zinc/55/67/70/1062556770.db2.gz DSTLRBTUPKHCHT-FQEVSTJZSA-N 1 0 454.627 2.534 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[NH+]1CCCC1 ZINC001287160041 1062557626 /nfs/dbraw/zinc/55/76/26/1062557626.db2.gz CDLNGADXHMRQMV-YADHBBJMSA-N 1 0 453.635 2.922 20 0 JFADRO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cnccn4)n3C[C@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001290656895 1062558858 /nfs/dbraw/zinc/55/88/58/1062558858.db2.gz PEZQEBJHFRRYMI-SFTDATJTSA-N 1 0 466.638 2.836 20 0 JFADRO CCCNC(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001294858445 1062558857 /nfs/dbraw/zinc/55/88/57/1062558857.db2.gz BAOLQPGFDWVTIN-FQEVSTJZSA-N 1 0 475.037 2.597 20 0 JFADRO O=C(OCc1ccccc1)N1CC(O)(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC001294858386 1062558926 /nfs/dbraw/zinc/55/89/26/1062558926.db2.gz OSKDVMBZCOFCIG-UHFFFAOYSA-N 1 0 453.539 2.873 20 0 JFADRO CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+]1CCCC1 ZINC001287160367 1062559421 /nfs/dbraw/zinc/55/94/21/1062559421.db2.gz RBXCORZDLHJUEL-TZIWHRDSSA-N 1 0 473.666 2.754 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccc(F)cc1)[NH+]1CCOCC1 ZINC001287161168 1062562275 /nfs/dbraw/zinc/56/22/75/1062562275.db2.gz IEPRBDXSNZNXBE-JOCHJYFZSA-N 1 0 471.581 2.690 20 0 JFADRO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287161519 1062563018 /nfs/dbraw/zinc/56/30/18/1062563018.db2.gz AXPJOVAAQUDHSC-UFYCRDLUSA-N 1 0 489.665 2.623 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CCO2)n1 ZINC001290659083 1062562858 /nfs/dbraw/zinc/56/28/58/1062562858.db2.gz DSVDDORVCUIQQD-JOCHJYFZSA-N 1 0 487.693 2.821 20 0 JFADRO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCCC1 ZINC001287162274 1062565193 /nfs/dbraw/zinc/56/51/93/1062565193.db2.gz HEGYDVYLZDXDFM-AZUAARDMSA-N 1 0 458.582 2.784 20 0 JFADRO Cc1cc(C)n(CC2CCN(c3nnc([C@H]4CCCCO4)n3CCOCC[NH+](C)C)CC2)n1 ZINC001290660602 1062566720 /nfs/dbraw/zinc/56/67/20/1062566720.db2.gz SGUPTTBKOOSPKQ-JOCHJYFZSA-N 1 0 459.639 2.828 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)CCO2)n1 ZINC001290660736 1062567256 /nfs/dbraw/zinc/56/72/56/1062567256.db2.gz OCMHRCDWTYHGIY-YADHBBJMSA-N 1 0 473.666 2.531 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001287163602 1062570392 /nfs/dbraw/zinc/57/03/92/1062570392.db2.gz RVFRCDBWFPXHEE-AQNXPRMDSA-N 1 0 489.665 2.795 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001287163661 1062570871 /nfs/dbraw/zinc/57/08/71/1062570871.db2.gz SKTSCLYSNYJLGX-IEBWSBKVSA-N 1 0 466.556 2.928 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001287163659 1062570953 /nfs/dbraw/zinc/57/09/53/1062570953.db2.gz SKTSCLYSNYJLGX-HKUYNNGSSA-N 1 0 466.556 2.928 20 0 JFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868060 1062572889 /nfs/dbraw/zinc/57/28/89/1062572889.db2.gz PKCSPWGNQYMESR-AOHZBQACSA-N 1 0 453.558 2.677 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287166085 1062576859 /nfs/dbraw/zinc/57/68/59/1062576859.db2.gz XLFHSNOKRVBCSD-SLFFLAALSA-N 1 0 489.665 2.782 20 0 JFADRO CC(C)c1csc([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H](C)[NH+](C)C)C2)n1 ZINC001287167336 1062579734 /nfs/dbraw/zinc/57/97/34/1062579734.db2.gz PGNMCBSAKBKGDX-GVDBMIGSSA-N 1 0 483.708 2.802 20 0 JFADRO Cc1nnc([C@@H]2CN(c3nnc([C@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001290673536 1062583272 /nfs/dbraw/zinc/58/32/72/1062583272.db2.gz KZFLKLOUFRBGCJ-PMACEKPBSA-N 1 0 461.611 2.950 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001294887798 1062608798 /nfs/dbraw/zinc/60/87/98/1062608798.db2.gz KBXSKPSASKRHSO-UHFFFAOYSA-N 1 0 470.618 2.943 20 0 JFADRO CC(C)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001287192977 1062621366 /nfs/dbraw/zinc/62/13/66/1062621366.db2.gz MLWHBZVCSPDSOB-HXUWFJFHSA-N 1 0 452.607 2.676 20 0 JFADRO CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001294895198 1062623371 /nfs/dbraw/zinc/62/33/71/1062623371.db2.gz LCJUERWSNBXVHU-IBGZPJMESA-N 1 0 463.586 2.758 20 0 JFADRO CC(C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1ccc(O)cc1 ZINC001287195391 1062626631 /nfs/dbraw/zinc/62/66/31/1062626631.db2.gz ZYUZGOGMTWNGOO-UHFFFAOYSA-N 1 0 454.619 2.974 20 0 JFADRO CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001287196983 1062629513 /nfs/dbraw/zinc/62/95/13/1062629513.db2.gz PIUWSPDRIZRMJJ-WOJBJXKFSA-N 1 0 471.581 2.610 20 0 JFADRO CCCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294899861 1062635014 /nfs/dbraw/zinc/63/50/14/1062635014.db2.gz NFAIFSXBHQXVCC-FCHUYYIVSA-N 1 0 454.619 2.799 20 0 JFADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287200496 1062638360 /nfs/dbraw/zinc/63/83/60/1062638360.db2.gz DWYWKFMYRQYJTO-JOCHJYFZSA-N 1 0 497.679 2.752 20 0 JFADRO CC(C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287200838 1062640622 /nfs/dbraw/zinc/64/06/22/1062640622.db2.gz HPROFUVNZLRSQK-UHFFFAOYSA-N 1 0 497.688 2.922 20 0 JFADRO Cc1nnc(N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290707638 1062641708 /nfs/dbraw/zinc/64/17/08/1062641708.db2.gz TXQXWLACRRXHPU-YBVXAUJNSA-N 1 0 462.639 2.922 20 0 JFADRO Cc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290718647 1062650765 /nfs/dbraw/zinc/65/07/65/1062650765.db2.gz HHINDWSIFZEIJT-WOJBJXKFSA-N 1 0 456.635 2.947 20 0 JFADRO Cc1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290734569 1062656452 /nfs/dbraw/zinc/65/64/52/1062656452.db2.gz ZFRFQAIGJIBHPK-QHCPKHFHSA-N 1 0 454.619 2.620 20 0 JFADRO Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCOc1ccc(Cl)cn1 ZINC001290737072 1062659186 /nfs/dbraw/zinc/65/91/86/1062659186.db2.gz JHUUBLXPJRHQQN-UHFFFAOYSA-N 1 0 455.994 2.972 20 0 JFADRO CC(C)c1nnc(N2CCCN(C(=O)CC3CCCC3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287212150 1062665987 /nfs/dbraw/zinc/66/59/87/1062665987.db2.gz MNGSQOOOZOFJMB-QFIPXVFZSA-N 1 0 460.667 2.867 20 0 JFADRO Cc1nnc(N2C[C@H](C)O[C@]3(CCCOC3)C2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290750511 1062668385 /nfs/dbraw/zinc/66/83/85/1062668385.db2.gz ACZNIOMSHZIIHO-YADARESESA-N 1 0 480.654 2.598 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001290760602 1062674217 /nfs/dbraw/zinc/67/42/17/1062674217.db2.gz WZUAZTNEZNZOGU-UHFFFAOYSA-N 1 0 468.646 2.675 20 0 JFADRO Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001290768899 1062684213 /nfs/dbraw/zinc/68/42/13/1062684213.db2.gz GVFHEVHVMJARBV-UHFFFAOYSA-N 1 0 496.660 2.547 20 0 JFADRO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287215918 1062689350 /nfs/dbraw/zinc/68/93/50/1062689350.db2.gz MBEVKIKZNKTRNI-XLIONFOSSA-N 1 0 459.664 2.555 20 0 JFADRO Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290779536 1062691893 /nfs/dbraw/zinc/69/18/93/1062691893.db2.gz LFMVUDLWWWMGGY-UHFFFAOYSA-N 1 0 474.654 2.941 20 0 JFADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001287216923 1062695175 /nfs/dbraw/zinc/69/51/75/1062695175.db2.gz WHECZYKHHLCHCR-NRFANRHFSA-N 1 0 459.683 2.656 20 0 JFADRO Cc1cccc(N2CC[NH+](CCC(=O)NCCN3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC001290791404 1062695327 /nfs/dbraw/zinc/69/53/27/1062695327.db2.gz GMYLMCDAZMRYKK-UHFFFAOYSA-N 1 0 453.606 2.585 20 0 JFADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC(=O)N1CCCCC1 ZINC001287219372 1062701745 /nfs/dbraw/zinc/70/17/45/1062701745.db2.gz JTEBNQYQTSOJHK-UHFFFAOYSA-N 1 0 459.683 2.799 20 0 JFADRO Cc1nnc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001290797546 1062702247 /nfs/dbraw/zinc/70/22/47/1062702247.db2.gz IWCUHBXNMVJWST-GOSISDBHSA-N 1 0 455.529 2.880 20 0 JFADRO CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCS(=O)(=O)c1ccccc1 ZINC001287219789 1062702818 /nfs/dbraw/zinc/70/28/18/1062702818.db2.gz PBPDLYISJPRLFM-UHFFFAOYSA-N 1 0 488.702 2.870 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@@](C)(C(=O)NC)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294929113 1062705093 /nfs/dbraw/zinc/70/50/93/1062705093.db2.gz QQRRPVQXDCNSSR-MZNJEOGPSA-N 1 0 458.607 2.655 20 0 JFADRO Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001290802672 1062706718 /nfs/dbraw/zinc/70/67/18/1062706718.db2.gz XAPUSBSGODTNJQ-UHFFFAOYSA-N 1 0 481.571 2.502 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1cccc(CS(C)(=O)=O)c1 ZINC001287222499 1062708590 /nfs/dbraw/zinc/70/85/90/1062708590.db2.gz FXAQSIXAUSROIN-UHFFFAOYSA-N 1 0 475.659 2.543 20 0 JFADRO CC(C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001287222784 1062709539 /nfs/dbraw/zinc/70/95/39/1062709539.db2.gz IFTFDEDPWYQYBL-SFHVURJKSA-N 1 0 480.704 2.845 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001294934457 1062712767 /nfs/dbraw/zinc/71/27/67/1062712767.db2.gz JJMLJLXPLHXMTF-WOJBJXKFSA-N 1 0 470.618 2.929 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(OC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294935886 1062714144 /nfs/dbraw/zinc/71/41/44/1062714144.db2.gz ROXUZSJEYVNJIR-LOSJGSFVSA-N 1 0 473.618 2.814 20 0 JFADRO CC(C)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001287229627 1062717116 /nfs/dbraw/zinc/71/71/16/1062717116.db2.gz VWVFISSHZTUPHC-IRLDBZIGSA-N 1 0 454.619 2.743 20 0 JFADRO Cc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001290833019 1062725259 /nfs/dbraw/zinc/72/52/59/1062725259.db2.gz IAWHBDRIBOJXIO-UXHICEINSA-N 1 0 453.509 2.749 20 0 JFADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001290833059 1062725426 /nfs/dbraw/zinc/72/54/26/1062725426.db2.gz INTKMTCVFMJSHF-FCHUYYIVSA-N 1 0 466.696 2.928 20 0 JFADRO Cc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837734 1062728104 /nfs/dbraw/zinc/72/81/04/1062728104.db2.gz KMCSRVBFLNFABE-UXHICEINSA-N 1 0 450.628 2.971 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294941291 1062728812 /nfs/dbraw/zinc/72/88/12/1062728812.db2.gz YTVMJEMAGMYBCA-XDHUDOTRSA-N 1 0 472.590 2.724 20 0 JFADRO Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001290842037 1062731213 /nfs/dbraw/zinc/73/12/13/1062731213.db2.gz KJSMIRSUVSTKEI-JOCHJYFZSA-N 1 0 475.037 2.829 20 0 JFADRO CCn1cc(C(=O)C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC001290847126 1062733735 /nfs/dbraw/zinc/73/37/35/1062733735.db2.gz LQAQIYHICBXPIE-UHFFFAOYSA-N 1 0 451.493 2.823 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC[NH+]2CCSCC2)C1 ZINC001287252822 1062735491 /nfs/dbraw/zinc/73/54/91/1062735491.db2.gz JZRNUJKXKDZBCV-HXUWFJFHSA-N 1 0 492.715 2.727 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287265833 1062742739 /nfs/dbraw/zinc/74/27/39/1062742739.db2.gz WLVLSRLSHRMIDE-VXKWHMMOSA-N 1 0 489.686 2.846 20 0 JFADRO Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCOc1cccc(C(F)(F)F)n1 ZINC001290867012 1062749450 /nfs/dbraw/zinc/74/94/50/1062749450.db2.gz HSYALRBWGJJJIR-OAHLLOKOSA-N 1 0 454.497 2.769 20 0 JFADRO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)cn1 ZINC001294969386 1062751798 /nfs/dbraw/zinc/75/17/98/1062751798.db2.gz UYZBXZXRPSCTDE-RBUKOAKNSA-N 1 0 455.607 2.552 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290869977 1062754558 /nfs/dbraw/zinc/75/45/58/1062754558.db2.gz NVMPMQOYNIDXIC-FOVJLYNBSA-N 1 0 485.652 2.845 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290870018 1062755180 /nfs/dbraw/zinc/75/51/80/1062755180.db2.gz OSSOFRPEIZKCBO-ZRBLBEILSA-N 1 0 473.710 2.868 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870449 1062756163 /nfs/dbraw/zinc/75/61/63/1062756163.db2.gz SZGRPGYYRVUUQX-GCJKJVERSA-N 1 0 453.002 2.921 20 0 JFADRO CCCOc1ncccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001294974963 1062759700 /nfs/dbraw/zinc/75/97/00/1062759700.db2.gz WALYTUXWKFBZPI-HXUWFJFHSA-N 1 0 469.634 2.961 20 0 JFADRO Cc1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CCOc1ncccc1Cl ZINC001290875732 1062759694 /nfs/dbraw/zinc/75/96/94/1062759694.db2.gz DULROPUSYRJJTI-UHFFFAOYSA-N 1 0 470.021 2.968 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1sccc1Br ZINC001290876308 1062760465 /nfs/dbraw/zinc/76/04/65/1062760465.db2.gz MBEKAXJGMNAECC-KRWDZBQOSA-N 1 0 483.480 2.690 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1sccc1Br ZINC001290876315 1062760855 /nfs/dbraw/zinc/76/08/55/1062760855.db2.gz MBEKAXJGMNAECC-QGZVFWFLSA-N 1 0 483.480 2.690 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001290877222 1062761504 /nfs/dbraw/zinc/76/15/04/1062761504.db2.gz UDYUHTPCVJXQMP-NRFANRHFSA-N 1 0 482.551 2.765 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC2([NH+](C)C)CCOCC2)CCO1 ZINC001287295318 1062766389 /nfs/dbraw/zinc/76/63/89/1062766389.db2.gz ABQFIQLYSLXNPQ-JOCHJYFZSA-N 1 0 457.619 2.872 20 0 JFADRO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001290888606 1062767620 /nfs/dbraw/zinc/76/76/20/1062767620.db2.gz WXSWAJQLXXNFFY-WIYYLYMNSA-N 1 0 458.607 2.837 20 0 JFADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC001290890262 1062768352 /nfs/dbraw/zinc/76/83/52/1062768352.db2.gz BNCVYMVHRHYDAD-SBUREZEXSA-N 1 0 451.546 2.794 20 0 JFADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)cc2)C1 ZINC001290891793 1062768767 /nfs/dbraw/zinc/76/87/67/1062768767.db2.gz PCZAZOFWUPKXPO-HXUWFJFHSA-N 1 0 451.567 2.918 20 0 JFADRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892079 1062769796 /nfs/dbraw/zinc/76/97/96/1062769796.db2.gz RSDQJQFUCSNLGN-NQIIRXRSSA-N 1 0 458.603 2.612 20 0 JFADRO CCCOc1ncccc1Cn1c([C@@H]2CCCOC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001294985775 1062772206 /nfs/dbraw/zinc/77/22/06/1062772206.db2.gz WKAZOBJTKBCZNY-TZIWHRDSSA-N 1 0 458.607 2.561 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CC2)n1 ZINC001290902306 1062774606 /nfs/dbraw/zinc/77/46/06/1062774606.db2.gz ITENPOGGIULCOT-KRWDZBQOSA-N 1 0 489.024 2.751 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001294987010 1062775281 /nfs/dbraw/zinc/77/52/81/1062775281.db2.gz MDBQKEPTXIXIDM-NJDAHSKKSA-N 1 0 464.655 2.701 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001294997232 1062783607 /nfs/dbraw/zinc/78/36/07/1062783607.db2.gz GIISHKUZNXNKSD-NCYKPQTJSA-N 1 0 462.639 2.514 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001287318375 1062789202 /nfs/dbraw/zinc/78/92/02/1062789202.db2.gz ACEUOKSKWFPONS-FQEVSTJZSA-N 1 0 484.649 2.596 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295002454 1062789531 /nfs/dbraw/zinc/78/95/31/1062789531.db2.gz OHMYMCKBJUMRAW-MOPGFXCFSA-N 1 0 455.669 2.554 20 0 JFADRO CC(C)CC(=O)Nc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)c1 ZINC001287320473 1062794343 /nfs/dbraw/zinc/79/43/43/1062794343.db2.gz UUOKKVOWKMBNGQ-UHFFFAOYSA-N 1 0 481.645 2.964 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320546 1062794546 /nfs/dbraw/zinc/79/45/46/1062794546.db2.gz VUZAQWFPLOUPCN-MOPGFXCFSA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320549 1062795058 /nfs/dbraw/zinc/79/50/58/1062795058.db2.gz VUZAQWFPLOUPCN-RBUKOAKNSA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COc2ccccc2)C1)[NH+](C)C ZINC001287320903 1062795652 /nfs/dbraw/zinc/79/56/52/1062795652.db2.gz YMFYOASTQFPPTJ-GMAHTHKFSA-N 1 0 484.645 2.775 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001287327683 1062801770 /nfs/dbraw/zinc/80/17/70/1062801770.db2.gz AWCHHTDEOQOTAI-QHCPKHFHSA-N 1 0 476.629 2.742 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)[NH+](C)C ZINC001287327896 1062802256 /nfs/dbraw/zinc/80/22/56/1062802256.db2.gz CPNXKFNQMZVIPV-WOJBJXKFSA-N 1 0 458.655 2.786 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014129 1062802693 /nfs/dbraw/zinc/80/26/93/1062802693.db2.gz IVDWDOVMZNFYDF-RTBURBONSA-N 1 0 454.685 2.822 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC001287328562 1062802843 /nfs/dbraw/zinc/80/28/43/1062802843.db2.gz HSMIUHYGCRIQOY-VXKWHMMOSA-N 1 0 484.693 2.773 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1)[NH+](C)C ZINC001287328795 1062803810 /nfs/dbraw/zinc/80/38/10/1062803810.db2.gz MLFRWVGMJJYYIN-NHCUHLMSSA-N 1 0 467.618 2.688 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001287328840 1062803894 /nfs/dbraw/zinc/80/38/94/1062803894.db2.gz NFQNJPVFRCZEEM-NRFANRHFSA-N 1 0 455.632 2.676 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001295014540 1062804064 /nfs/dbraw/zinc/80/40/64/1062804064.db2.gz CRAAOMNUEJKZDV-GOSISDBHSA-N 1 0 452.669 2.576 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1)[NH+](C)C ZINC001287329147 1062804472 /nfs/dbraw/zinc/80/44/72/1062804472.db2.gz BMBRQGOPZSLYNN-UXHICEINSA-N 1 0 460.602 2.752 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC(C)C)C1)[NH+](C)C ZINC001287329342 1062805766 /nfs/dbraw/zinc/80/57/66/1062805766.db2.gz CYACCGGREMHMBK-MOPGFXCFSA-N 1 0 476.622 2.612 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001287329624 1062806200 /nfs/dbraw/zinc/80/62/00/1062806200.db2.gz VYYPWGHAGAAZOP-DEOSSOPVSA-N 1 0 496.704 2.887 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295015094 1062806647 /nfs/dbraw/zinc/80/66/47/1062806647.db2.gz LSZHRDDKYVPUNM-KDURUIRLSA-N 1 0 466.696 2.822 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1)[NH+](C)C ZINC001287330197 1062807296 /nfs/dbraw/zinc/80/72/96/1062807296.db2.gz LITPVLIZUWHLOI-NHCUHLMSSA-N 1 0 475.588 2.810 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)[NH+](C)C ZINC001287331166 1062808131 /nfs/dbraw/zinc/80/81/31/1062808131.db2.gz FDXSUQUJBCKDKM-NHCUHLMSSA-N 1 0 457.598 2.540 20 0 JFADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001287331627 1062809235 /nfs/dbraw/zinc/80/92/35/1062809235.db2.gz GTRYAZWZGZPVLF-HXUWFJFHSA-N 1 0 470.666 2.664 20 0 JFADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001287332936 1062810065 /nfs/dbraw/zinc/81/00/65/1062810065.db2.gz LGCJZXAYIZTEDK-VQTJNVASSA-N 1 0 470.728 2.951 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295016790 1062811744 /nfs/dbraw/zinc/81/17/44/1062811744.db2.gz AERNFHJYJVYAJX-HXUWFJFHSA-N 1 0 487.630 2.534 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCCO2)[NH+](C)C ZINC001287335705 1062813832 /nfs/dbraw/zinc/81/38/32/1062813832.db2.gz WLANFIITJBFOSV-UXHICEINSA-N 1 0 491.658 2.564 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001287335733 1062814742 /nfs/dbraw/zinc/81/47/42/1062814742.db2.gz WPHCNMKAIUUZAC-YADHBBJMSA-N 1 0 455.651 2.981 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001295017724 1062815182 /nfs/dbraw/zinc/81/51/82/1062815182.db2.gz NPRBNHCPOQQWOA-INIZCTEOSA-N 1 0 469.055 2.847 20 0 JFADRO Cc1noc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001290944600 1062818832 /nfs/dbraw/zinc/81/88/32/1062818832.db2.gz SJKZDWIUTMOUJP-PMACEKPBSA-N 1 0 472.638 2.860 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[C@@H](C)[NH+]3CCCCC3)C2)n1 ZINC001290944737 1062819146 /nfs/dbraw/zinc/81/91/46/1062819146.db2.gz WLFNFRSPOKEXTP-IEBWSBKVSA-N 1 0 458.611 2.756 20 0 JFADRO CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC001295020226 1062819967 /nfs/dbraw/zinc/81/99/67/1062819967.db2.gz QUYDUKMCXXTZBG-FCHUYYIVSA-N 1 0 451.633 2.523 20 0 JFADRO CC(C)CC1(Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC001287342682 1062820277 /nfs/dbraw/zinc/82/02/77/1062820277.db2.gz YNNIZRUIIGJDTL-UHFFFAOYSA-N 1 0 456.639 2.688 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001290947794 1062824030 /nfs/dbraw/zinc/82/40/30/1062824030.db2.gz CHXIOGXYMHSNIB-IBGZPJMESA-N 1 0 481.605 2.977 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287352691 1062824678 /nfs/dbraw/zinc/82/46/78/1062824678.db2.gz PRCFTJFKCCWRNJ-FCHUYYIVSA-N 1 0 470.666 2.873 20 0 JFADRO CC(C)Cc1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001287355295 1062825688 /nfs/dbraw/zinc/82/56/88/1062825688.db2.gz FORIKQNACZWLHG-HXUWFJFHSA-N 1 0 458.607 2.592 20 0 JFADRO CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001287355303 1062825807 /nfs/dbraw/zinc/82/58/07/1062825807.db2.gz FQLUEXJNIJTJQB-LJQANCHMSA-N 1 0 454.685 2.601 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001295023059 1062827082 /nfs/dbraw/zinc/82/70/82/1062827082.db2.gz VSUFKLIGYREGBZ-GOSISDBHSA-N 1 0 454.685 2.507 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001295024123 1062829195 /nfs/dbraw/zinc/82/91/95/1062829195.db2.gz WIFFJIOCTZQDLU-PZJWPPBQSA-N 1 0 482.695 2.692 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCC[NH+]1CCC(O)CC1 ZINC001287364992 1062830167 /nfs/dbraw/zinc/83/01/67/1062830167.db2.gz GBVDUDUVPOQUPD-UHFFFAOYSA-N 1 0 457.545 2.712 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287364983 1062830251 /nfs/dbraw/zinc/83/02/51/1062830251.db2.gz FYQZWWBUFHGHAD-JOCHJYFZSA-N 1 0 470.662 2.918 20 0 JFADRO CC(C)Cc1nnc(N(C)CCN2CCOCC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001287374981 1062833290 /nfs/dbraw/zinc/83/32/90/1062833290.db2.gz RIWRBNPBUWBJHD-UHFFFAOYSA-N 1 0 450.697 2.607 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001295040527 1062838304 /nfs/dbraw/zinc/83/83/04/1062838304.db2.gz TYAYCIGNBJMRBB-VWLOTQADSA-N 1 0 485.633 2.633 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001295044920 1062843767 /nfs/dbraw/zinc/84/37/67/1062843767.db2.gz DUNVKJXPINBWIV-QUCCMNQESA-N 1 0 462.639 2.960 20 0 JFADRO CC(C)Cc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001287398471 1062843638 /nfs/dbraw/zinc/84/36/38/1062843638.db2.gz RXLVPPRKMCNXBK-DYESRHJHSA-N 1 0 461.573 2.975 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001287399057 1062844243 /nfs/dbraw/zinc/84/42/43/1062844243.db2.gz YMQKAJMUMFHJBW-LJQANCHMSA-N 1 0 490.678 2.540 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)Nc3nncs3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001287399056 1062844433 /nfs/dbraw/zinc/84/44/33/1062844433.db2.gz YMQKAJMUMFHJBW-IBGZPJMESA-N 1 0 490.678 2.540 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(N)=O)(c3ccccc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287399967 1062844936 /nfs/dbraw/zinc/84/49/36/1062844936.db2.gz MKFUHPYWCLFEEV-UHFFFAOYSA-N 1 0 468.646 2.613 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001295045358 1062845369 /nfs/dbraw/zinc/84/53/69/1062845369.db2.gz LSNAUNJAHOBSGM-HXUWFJFHSA-N 1 0 491.681 2.967 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001287403110 1062846284 /nfs/dbraw/zinc/84/62/84/1062846284.db2.gz JMFSDCBASANBEZ-CTNGQTDRSA-N 1 0 467.618 2.566 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCN1CCOCC1(C)C ZINC001287410523 1062849546 /nfs/dbraw/zinc/84/95/46/1062849546.db2.gz CIIYIZWDMCSPBP-UHFFFAOYSA-N 1 0 476.710 2.916 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001287411871 1062851058 /nfs/dbraw/zinc/85/10/58/1062851058.db2.gz BRRIHVSYCMRHIR-UHFFFAOYSA-N 1 0 484.693 2.979 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3CCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC001290973313 1062852423 /nfs/dbraw/zinc/85/24/23/1062852423.db2.gz XIHBDWAKDIOKOR-KDURUIRLSA-N 1 0 476.695 2.853 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001290976232 1062855604 /nfs/dbraw/zinc/85/56/04/1062855604.db2.gz OMEREPJKSJYHQA-RHSMWYFYSA-N 1 0 490.406 2.609 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287420421 1062859895 /nfs/dbraw/zinc/85/98/95/1062859895.db2.gz QNCGYRDTGLNOFZ-GJZUVCINSA-N 1 0 486.636 2.656 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287420430 1062860023 /nfs/dbraw/zinc/86/00/23/1062860023.db2.gz QWGKLLFAHHOJOR-AREMUKBSSA-N 1 0 472.653 2.987 20 0 JFADRO CC(C)Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287420785 1062860410 /nfs/dbraw/zinc/86/04/10/1062860410.db2.gz LLNZFJSIIOQOBF-QHCPKHFHSA-N 1 0 468.646 2.722 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](C(=O)NCC3CC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001287438053 1062871937 /nfs/dbraw/zinc/87/19/37/1062871937.db2.gz SCDCQGXEDNEOGO-FGZHOGPDSA-N 1 0 460.667 2.576 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001287442104 1062874612 /nfs/dbraw/zinc/87/46/12/1062874612.db2.gz CMWIBHMOEQGEPQ-SFTDATJTSA-N 1 0 468.712 2.705 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001287448549 1062884168 /nfs/dbraw/zinc/88/41/68/1062884168.db2.gz DMQDNIMWMUUFEW-NRFANRHFSA-N 1 0 459.660 2.589 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001295067232 1062886348 /nfs/dbraw/zinc/88/63/48/1062886348.db2.gz OKCCMCUQWUDXHM-UHFFFAOYSA-N 1 0 468.627 2.858 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001290991958 1062887097 /nfs/dbraw/zinc/88/70/97/1062887097.db2.gz ZSPJWFHXUOIABF-WWPVKYPJSA-N 1 0 498.672 2.852 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001287453530 1062888375 /nfs/dbraw/zinc/88/83/75/1062888375.db2.gz FZJHZRJUVUBCMC-XMMPIXPASA-N 1 0 475.037 2.549 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290996268 1062888461 /nfs/dbraw/zinc/88/84/61/1062888461.db2.gz CLVLCJLZHPMBGV-ZVDOUQERSA-N 1 0 487.693 2.727 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001290998189 1062890830 /nfs/dbraw/zinc/89/08/30/1062890830.db2.gz GMPUBCZFIMQMIA-IRFCIJBXSA-N 1 0 496.722 2.746 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)C1 ZINC001290997889 1062890896 /nfs/dbraw/zinc/89/08/96/1062890896.db2.gz NTCVKFMINDHGAQ-ZCNNSNEGSA-N 1 0 498.738 2.850 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001290998320 1062891579 /nfs/dbraw/zinc/89/15/79/1062891579.db2.gz OYGWYGDIZWRYTQ-PMACEKPBSA-N 1 0 488.702 2.982 20 0 JFADRO CC(C)OC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999739 1062894471 /nfs/dbraw/zinc/89/44/71/1062894471.db2.gz TTXJMFKHKAKOHK-PLACYPQZSA-N 1 0 476.666 2.616 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(N3CCN(c4cnn(C)c4)C(=O)C3)nnc2C(C)(C)C)C1 ZINC001290999986 1062894635 /nfs/dbraw/zinc/89/46/35/1062894635.db2.gz MAIPZMFOGDCJPT-RTBURBONSA-N 1 0 470.666 2.919 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001291000034 1062895238 /nfs/dbraw/zinc/89/52/38/1062895238.db2.gz MGMNSSBZXYSTCM-SFHLNBCPSA-N 1 0 496.722 2.746 20 0 JFADRO CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC001291002234 1062898325 /nfs/dbraw/zinc/89/83/25/1062898325.db2.gz OJAIXANUDRDNND-UHFFFAOYSA-N 1 0 458.024 2.601 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295074382 1062900267 /nfs/dbraw/zinc/90/02/67/1062900267.db2.gz JDGVKDBZDNJIJX-HSZRJFAPSA-N 1 0 461.614 2.701 20 0 JFADRO C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001291006284 1062901011 /nfs/dbraw/zinc/90/10/11/1062901011.db2.gz JYJADJFUQDUIHZ-AQNXPRMDSA-N 1 0 480.654 2.647 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287461943 1062900925 /nfs/dbraw/zinc/90/09/25/1062900925.db2.gz GLISKVJIJFXPPV-PMACEKPBSA-N 1 0 458.607 2.531 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001287461944 1062901035 /nfs/dbraw/zinc/90/10/35/1062901035.db2.gz GLISKVJIJFXPPV-WOJBJXKFSA-N 1 0 458.607 2.531 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295074918 1062901743 /nfs/dbraw/zinc/90/17/43/1062901743.db2.gz NGHAUICYRBBGTQ-QHCPKHFHSA-N 1 0 461.614 2.701 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001287463424 1062905420 /nfs/dbraw/zinc/90/54/20/1062905420.db2.gz ZSTPUTUBXAOLKB-FQEVSTJZSA-N 1 0 454.619 2.877 20 0 JFADRO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291010015 1062907807 /nfs/dbraw/zinc/90/78/07/1062907807.db2.gz NXCFFRLOWRBSST-BHIFYINESA-N 1 0 473.710 2.949 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001287464516 1062908320 /nfs/dbraw/zinc/90/83/20/1062908320.db2.gz CJIMHUHYKMAXKD-DHIUTWEWSA-N 1 0 473.710 2.732 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001291010152 1062908567 /nfs/dbraw/zinc/90/85/67/1062908567.db2.gz PJECFSFDRAUDCK-AQNXPRMDSA-N 1 0 455.607 2.909 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291010783 1062909465 /nfs/dbraw/zinc/90/94/65/1062909465.db2.gz AJHVAQWUWVCDBN-FGZHOGPDSA-N 1 0 487.693 2.577 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(CC3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291010810 1062909523 /nfs/dbraw/zinc/90/95/23/1062909523.db2.gz BBVJHOLHXJIJGR-NHCUHLMSSA-N 1 0 480.723 2.851 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001287464665 1062909588 /nfs/dbraw/zinc/90/95/88/1062909588.db2.gz ROQSXYUKBJOKEK-HSZRJFAPSA-N 1 0 497.688 2.961 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291010884 1062910135 /nfs/dbraw/zinc/91/01/35/1062910135.db2.gz CAUMSRIMBIKGKD-YSTOQKLRSA-N 1 0 455.669 2.757 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291011319 1062912358 /nfs/dbraw/zinc/91/23/58/1062912358.db2.gz IUYRRBSLSOXAPY-WOIUINJBSA-N 1 0 481.645 2.723 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001287466168 1062914880 /nfs/dbraw/zinc/91/48/80/1062914880.db2.gz YAQHXAABRGEBBN-UHFFFAOYSA-N 1 0 450.628 2.691 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012118 1062914944 /nfs/dbraw/zinc/91/49/44/1062914944.db2.gz UUVHJJCBJZAKSA-LJDSDSDDSA-N 1 0 452.669 2.635 20 0 JFADRO CC(C)Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001287466119 1062914967 /nfs/dbraw/zinc/91/49/67/1062914967.db2.gz WHBGJYBVMLBMHU-OFNKIYASSA-N 1 0 467.662 2.569 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCc2nccs2)C1 ZINC001291012550 1062917214 /nfs/dbraw/zinc/91/72/14/1062917214.db2.gz AUGUBYSFOHLFJO-GUDVDZBRSA-N 1 0 480.704 2.684 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291012709 1062918279 /nfs/dbraw/zinc/91/82/79/1062918279.db2.gz DCMPWCBXOPDOGK-FGTMMUONSA-N 1 0 496.582 2.551 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCOCC2)C1 ZINC001291013161 1062919629 /nfs/dbraw/zinc/91/96/29/1062919629.db2.gz JUMCYWTYKUJVLB-WOJBJXKFSA-N 1 0 475.659 2.943 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001287471974 1062921482 /nfs/dbraw/zinc/92/14/82/1062921482.db2.gz QLLSMZWMRVWYKN-WOJBJXKFSA-N 1 0 459.614 2.837 20 0 JFADRO CCN(C)C(=O)Cn1c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295085479 1062922472 /nfs/dbraw/zinc/92/24/72/1062922472.db2.gz XTFKSICWQAQDAH-BKMJKUGQSA-N 1 0 484.645 2.508 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001287472221 1062922534 /nfs/dbraw/zinc/92/25/34/1062922534.db2.gz VHETUSDGGSRDSS-NRFANRHFSA-N 1 0 482.677 2.952 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)F)CC2)C1 ZINC001291014144 1062922967 /nfs/dbraw/zinc/92/29/67/1062922967.db2.gz XZWQJJNUFSGDHC-AQNXPRMDSA-N 1 0 454.610 2.927 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287475058 1062924361 /nfs/dbraw/zinc/92/43/61/1062924361.db2.gz MTMBUZYHANTOIA-OYRHEFFESA-N 1 0 482.677 2.665 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001291014944 1062924392 /nfs/dbraw/zinc/92/43/92/1062924392.db2.gz KOCXJWFFWZKNSO-DHIUTWEWSA-N 1 0 487.737 2.979 20 0 JFADRO CC[N@@H+]1CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001295102955 1062931890 /nfs/dbraw/zinc/93/18/90/1062931890.db2.gz CPQSEHTWKZZBQY-KNQAVFIVSA-N 1 0 455.603 2.920 20 0 JFADRO CC(C)Cc1nnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@H+](C)C(C)C ZINC001287481346 1062936339 /nfs/dbraw/zinc/93/63/39/1062936339.db2.gz IFSFELPGXHFOJB-UHFFFAOYSA-N 1 0 456.635 2.910 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1CC(F)(F)CO1 ZINC001287481848 1062937487 /nfs/dbraw/zinc/93/74/87/1062937487.db2.gz JHCPBBWQLJGDIF-INIZCTEOSA-N 1 0 469.499 2.992 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3nc(C)no3)CC2)c1 ZINC001295125802 1062939183 /nfs/dbraw/zinc/93/91/83/1062939183.db2.gz BDCXDYSBZVAUOZ-UHFFFAOYSA-N 1 0 480.617 2.992 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC001295125785 1062939274 /nfs/dbraw/zinc/93/92/74/1062939274.db2.gz ATPGLZKPNBCAEB-QHCPKHFHSA-N 1 0 495.672 2.755 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCC[C@@H](NC(C)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001295126459 1062941897 /nfs/dbraw/zinc/94/18/97/1062941897.db2.gz HHPKYYFMKYPJHP-SQHAQQRYSA-N 1 0 498.672 2.924 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(=O)OC)C2)c1 ZINC001295126898 1062943515 /nfs/dbraw/zinc/94/35/15/1062943515.db2.gz KKEBCZGCWZBVMX-JOCHJYFZSA-N 1 0 465.602 2.639 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC001295127142 1062944956 /nfs/dbraw/zinc/94/49/56/1062944956.db2.gz MEPACZAENWXPJS-DBXWQHBBSA-N 1 0 463.648 2.540 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)c1 ZINC001295127241 1062945576 /nfs/dbraw/zinc/94/55/76/1062945576.db2.gz MLPQIPWFDMPVSP-WIYYLYMNSA-N 1 0 492.690 2.640 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001287488193 1062945622 /nfs/dbraw/zinc/94/56/22/1062945622.db2.gz WXVCYCKANYHNLF-NRFANRHFSA-N 1 0 474.675 2.613 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)c1 ZINC001295127564 1062946507 /nfs/dbraw/zinc/94/65/07/1062946507.db2.gz RMCIEDYKRTYVIL-UHFFFAOYSA-N 1 0 491.644 2.787 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)c1 ZINC001295128249 1062948570 /nfs/dbraw/zinc/94/85/70/1062948570.db2.gz YWKROZYPVKHJMC-UHFFFAOYSA-N 1 0 460.648 2.517 20 0 JFADRO CC(C)Cc1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001287493504 1062948827 /nfs/dbraw/zinc/94/88/27/1062948827.db2.gz BZBJAFWANIGKLR-HSZRJFAPSA-N 1 0 467.618 2.777 20 0 JFADRO CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287498250 1062951979 /nfs/dbraw/zinc/95/19/79/1062951979.db2.gz NWMCDAMCRHFVDY-UHFFFAOYSA-N 1 0 481.707 2.650 20 0 JFADRO CC(C)Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287506461 1062954778 /nfs/dbraw/zinc/95/47/78/1062954778.db2.gz SNZCOVJKXUBZHY-ROUUACIJSA-N 1 0 464.565 2.940 20 0 JFADRO CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)C1CCC1 ZINC001295144425 1062962596 /nfs/dbraw/zinc/96/25/96/1062962596.db2.gz IYOQARPZOHGKMD-UXHICEINSA-N 1 0 496.722 2.938 20 0 JFADRO C[C@@H]1C[C@H](N(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001291032493 1062963353 /nfs/dbraw/zinc/96/33/53/1062963353.db2.gz PJXRQABKMRRCIB-DENIHFKCSA-N 1 0 474.675 2.611 20 0 JFADRO C[C@@H]1C[C@H](N(C)c2nnc(C(C)(C)C)n2CC(=O)N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC001291032525 1062963887 /nfs/dbraw/zinc/96/38/87/1062963887.db2.gz PVJKGDOISVVFAZ-IFMALSPDSA-N 1 0 468.646 2.924 20 0 JFADRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(I)cc1 ZINC001295145556 1062966868 /nfs/dbraw/zinc/96/68/68/1062966868.db2.gz FUBNQVBMKJQYFQ-MJGOQNOKSA-N 1 0 450.320 2.904 20 0 JFADRO CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCCC1)C(C)C ZINC001295147178 1062968117 /nfs/dbraw/zinc/96/81/17/1062968117.db2.gz YUZDFFUVSGGXNY-SFHVURJKSA-N 1 0 472.725 2.875 20 0 JFADRO C[C@@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC001291048250 1062977362 /nfs/dbraw/zinc/97/73/62/1062977362.db2.gz OVQURWPWMUCZSL-ANULTFPQSA-N 1 0 482.695 2.500 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291051345 1062980745 /nfs/dbraw/zinc/98/07/45/1062980745.db2.gz DONKURZUBGRHJE-WOJBJXKFSA-N 1 0 459.683 2.845 20 0 JFADRO CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](CC(C)C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295157330 1062980855 /nfs/dbraw/zinc/98/08/55/1062980855.db2.gz ZNUCRPNYJAJMSO-VQTJNVASSA-N 1 0 463.648 2.943 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051557 1062982273 /nfs/dbraw/zinc/98/22/73/1062982273.db2.gz HDNIPPAYYCDISR-TYBLODHISA-N 1 0 455.651 2.742 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CC1 ZINC001291052020 1062983386 /nfs/dbraw/zinc/98/33/86/1062983386.db2.gz NCFSAQXWPOSRLP-VAMGGRTRSA-N 1 0 470.609 2.796 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001291052136 1062983466 /nfs/dbraw/zinc/98/34/66/1062983466.db2.gz OLSWIACTKIHROF-SFTDATJTSA-N 1 0 482.677 2.640 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 ZINC001291052763 1062984513 /nfs/dbraw/zinc/98/45/13/1062984513.db2.gz YAZFZWZSRVCMQT-OALUTQOASA-N 1 0 495.093 2.638 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@H]1CC[C@@H](C)C1 ZINC001291054429 1062988546 /nfs/dbraw/zinc/98/85/46/1062988546.db2.gz STIMMHDZFYVICL-ZRNYENFQSA-N 1 0 452.669 2.637 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC001295169836 1062993670 /nfs/dbraw/zinc/99/36/70/1062993670.db2.gz DYCMYQFIWCIOMP-FQEVSTJZSA-N 1 0 450.381 2.772 20 0 JFADRO CC1CCC(N(C)c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC[NH+](C)C)CC1 ZINC001291059505 1062994606 /nfs/dbraw/zinc/99/46/06/1062994606.db2.gz ZYKMCPZEBHKRPZ-UHFFFAOYSA-N 1 0 453.595 2.514 20 0 JFADRO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC(C)CC1)C[NH+]1CCCCC1 ZINC001291060933 1062996279 /nfs/dbraw/zinc/99/62/79/1062996279.db2.gz TWPGZBRXAKAGJT-JRRMTSHWSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)[C@@H]1C[C@H]1n1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291061538 1062997654 /nfs/dbraw/zinc/99/76/54/1062997654.db2.gz OVXGIGFARGFDOA-ZSDFWYKJSA-N 1 0 452.669 2.806 20 0 JFADRO C[C@H](Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+](C)C ZINC001291062917 1063002525 /nfs/dbraw/zinc/00/25/25/1063002525.db2.gz GZCZXMAEVFPOAS-OAGGEKHMSA-N 1 0 453.678 2.951 20 0 JFADRO CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001295180974 1063004014 /nfs/dbraw/zinc/00/40/14/1063004014.db2.gz UHJJDIPQFXPKDG-CTNGQTDRSA-N 1 0 468.627 2.874 20 0 JFADRO C[C@H](Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001291063996 1063005816 /nfs/dbraw/zinc/00/58/16/1063005816.db2.gz AVKVKWZLQBECAZ-DLBZAZTESA-N 1 0 494.731 2.942 20 0 JFADRO CC(C)CCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001287627561 1063008331 /nfs/dbraw/zinc/00/83/31/1063008331.db2.gz DJJMPQSSTMTZBZ-FQEVSTJZSA-N 1 0 458.582 2.785 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)CCS(C)(=O)=O ZINC001291064853 1063008644 /nfs/dbraw/zinc/00/86/44/1063008644.db2.gz PRHBVQYXFROVQL-MRXNPFEDSA-N 1 0 453.678 2.952 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001287628771 1063009183 /nfs/dbraw/zinc/00/91/83/1063009183.db2.gz GMZWTOMMXNAYQZ-NRFANRHFSA-N 1 0 487.693 2.682 20 0 JFADRO C[C@H]1CCc2sc(-c3nnc(N4CCC(S(C)(=O)=O)CC4)n3CCOCC[NH+](C)C)cc2C1 ZINC001291065322 1063009476 /nfs/dbraw/zinc/00/94/76/1063009476.db2.gz ZALQGMPDRKPDSF-KRWDZBQOSA-N 1 0 495.715 2.723 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H]32)CC1 ZINC001287629055 1063009484 /nfs/dbraw/zinc/00/94/84/1063009484.db2.gz IHGQCGUARBVAQO-SXLOBPIMSA-N 1 0 452.669 2.635 20 0 JFADRO C[C@@H]1CCC[C@](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CCn2cccn2)([NH+](C)C)C1 ZINC001291065519 1063010221 /nfs/dbraw/zinc/01/02/21/1063010221.db2.gz BXODTZBAWPBBDS-DVECYGJZSA-N 1 0 465.606 2.769 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(OC[C@H]3CCOC3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001291065483 1063010339 /nfs/dbraw/zinc/01/03/39/1063010339.db2.gz BJAOVRGMTXRXPG-SWYRRKHMSA-N 1 0 490.693 2.949 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccnc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001287630607 1063010782 /nfs/dbraw/zinc/01/07/82/1063010782.db2.gz SQPVOYIENGHBAS-UHFFFAOYSA-N 1 0 489.690 2.570 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001287632089 1063012218 /nfs/dbraw/zinc/01/22/18/1063012218.db2.gz RUONLCYEZZHIEY-WOJBJXKFSA-N 1 0 453.653 2.511 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCOC1 ZINC001291067697 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498.720 2.785 20 0 JFADRO C[C@@H](N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1)C(F)(F)F ZINC001291142146 1063219120 /nfs/dbraw/zinc/21/91/20/1063219120.db2.gz YWDRLEASWLTBPT-RBUKOAKNSA-N 1 0 485.599 2.707 20 0 JFADRO C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291143213 1063221663 /nfs/dbraw/zinc/22/16/63/1063221663.db2.gz RZJVNWMHXSICDU-SFHVURJKSA-N 1 0 466.556 2.930 20 0 JFADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143103 1063221761 /nfs/dbraw/zinc/22/17/61/1063221761.db2.gz QOXUSZQJEUDEFJ-VAMGGRTRSA-N 1 0 489.665 2.701 20 0 JFADRO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143102 1063221805 /nfs/dbraw/zinc/22/18/05/1063221805.db2.gz QOXUSZQJEUDEFJ-HSALFYBXSA-N 1 0 489.665 2.701 20 0 JFADRO C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143673 1063222917 /nfs/dbraw/zinc/22/29/17/1063222917.db2.gz AIWRRHMZVSULJK-YADHBBJMSA-N 1 0 494.750 2.859 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143795 1063223341 /nfs/dbraw/zinc/22/33/41/1063223341.db2.gz CREBCPURUORSHV-NJDAHSKKSA-N 1 0 492.665 2.632 20 0 JFADRO C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144037 1063224323 /nfs/dbraw/zinc/22/43/23/1063224323.db2.gz IAIJZJXAOGNLRB-OALUTQOASA-N 1 0 458.573 2.977 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001291144012 1063224465 /nfs/dbraw/zinc/22/44/65/1063224465.db2.gz HLKWCDNBLOPZHG-VSKRKVRLSA-N 1 0 460.667 2.891 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144335 1063225049 /nfs/dbraw/zinc/22/50/49/1063225049.db2.gz NBCKMUGIJDUWQH-GUDVDZBRSA-N 1 0 458.573 2.975 20 0 JFADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144583 1063226067 /nfs/dbraw/zinc/22/60/67/1063226067.db2.gz QWZBWAGLLNEEMH-ZLNRFVROSA-N 1 0 469.678 2.930 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295329749 1063230309 /nfs/dbraw/zinc/23/03/09/1063230309.db2.gz WLVGTPSEGMGAGB-UHFFFAOYSA-N 1 0 461.699 2.831 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC1(C)C ZINC001291146580 1063231570 /nfs/dbraw/zinc/23/15/70/1063231570.db2.gz HLXSGMSWOUWEID-OSPHWJPCSA-N 1 0 475.037 2.801 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2([NH+](C)C)CCSC2)[C@@H]1C ZINC001291151292 1063240181 /nfs/dbraw/zinc/24/01/81/1063240181.db2.gz RHAAQKAIABXMCJ-PNCHPQGNSA-N 1 0 492.715 2.867 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2([NH+](C)C)CCSC2)[C@H]1C ZINC001291151290 1063240236 /nfs/dbraw/zinc/24/02/36/1063240236.db2.gz RHAAQKAIABXMCJ-IEGUWTFLSA-N 1 0 492.715 2.867 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291162076 1063246610 /nfs/dbraw/zinc/24/66/10/1063246610.db2.gz KTWNHSLDKKIKGM-IEBWSBKVSA-N 1 0 462.545 2.612 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335041 1063248711 /nfs/dbraw/zinc/24/87/11/1063248711.db2.gz WZSNJSBBQUOVPY-YADHBBJMSA-N 1 0 473.710 2.732 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295337136 1063262204 /nfs/dbraw/zinc/26/22/04/1063262204.db2.gz CGRKZIMAOXPALH-HXUWFJFHSA-N 1 0 494.644 2.541 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001295337317 1063262301 /nfs/dbraw/zinc/26/23/01/1063262301.db2.gz DYEBBNXCJOZISP-UHFFFAOYSA-N 1 0 459.683 2.801 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001291174645 1063262995 /nfs/dbraw/zinc/26/29/95/1063262995.db2.gz RZGKWZXSMIBQBG-ZWKOTPCHSA-N 1 0 460.648 2.740 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001295337508 1063263163 /nfs/dbraw/zinc/26/31/63/1063263163.db2.gz GZTLHOURJLYQPB-GOTSBHOMSA-N 1 0 489.709 2.632 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338045 1063265496 /nfs/dbraw/zinc/26/54/96/1063265496.db2.gz GUJDRBNVMGKBEN-QRQCRPRQSA-N 1 0 452.958 2.730 20 0 JFADRO CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291178907 1063267610 /nfs/dbraw/zinc/26/76/10/1063267610.db2.gz SFXLRPSLVFEICG-JOCHJYFZSA-N 1 0 487.693 2.625 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295340653 1063269098 /nfs/dbraw/zinc/26/90/98/1063269098.db2.gz YQFJFIZBUMGZMI-SZPZYZBQSA-N 1 0 473.710 2.904 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001291179866 1063270291 /nfs/dbraw/zinc/27/02/91/1063270291.db2.gz ORAYBTOIYRJNDB-NRFANRHFSA-N 1 0 492.665 2.506 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1(O)CCCCC1 ZINC001291180192 1063271467 /nfs/dbraw/zinc/27/14/67/1063271467.db2.gz WCXVRKOLPXHSRS-SFTDATJTSA-N 1 0 496.722 2.532 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001291180591 1063273042 /nfs/dbraw/zinc/27/30/42/1063273042.db2.gz HERRYCAQTRVZJZ-BDTNDASRSA-N 1 0 496.722 2.748 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3ccccn3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001291180939 1063273639 /nfs/dbraw/zinc/27/36/39/1063273639.db2.gz RSWYBINXKTWSPF-FQEVSTJZSA-N 1 0 460.648 2.866 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001291180846 1063273661 /nfs/dbraw/zinc/27/36/61/1063273661.db2.gz PJPBQBVUOZAENA-OAQYLSRUSA-N 1 0 460.667 2.989 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181465 1063274689 /nfs/dbraw/zinc/27/46/89/1063274689.db2.gz IVLWLQXATMTJMU-GOSISDBHSA-N 1 0 478.638 2.712 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001291181395 1063274780 /nfs/dbraw/zinc/27/47/80/1063274780.db2.gz HFULTXFRSFSNOL-UHFFFAOYSA-N 1 0 469.055 2.706 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291181727 1063275691 /nfs/dbraw/zinc/27/56/91/1063275691.db2.gz QKTVHXAIDONQCJ-HSALFYBXSA-N 1 0 455.669 2.900 20 0 JFADRO CC1CC[NH+](CCCCn2c(COc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001291181931 1063276752 /nfs/dbraw/zinc/27/67/52/1063276752.db2.gz XDLFXMWAUGJLFX-UHFFFAOYSA-N 1 0 479.622 2.743 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)CC1 ZINC001291182011 1063276918 /nfs/dbraw/zinc/27/69/18/1063276918.db2.gz AALAGUQKOQCJLD-QGZVFWFLSA-N 1 0 451.413 2.840 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001291182535 1063277738 /nfs/dbraw/zinc/27/77/38/1063277738.db2.gz PZOBSZUXRYMXGN-UHFFFAOYSA-N 1 0 472.638 2.858 20 0 JFADRO CC1CC[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291182928 1063278646 /nfs/dbraw/zinc/27/86/46/1063278646.db2.gz AVYHTFJUAOAXNA-JOCHJYFZSA-N 1 0 475.659 2.645 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001291183036 1063279225 /nfs/dbraw/zinc/27/92/25/1063279225.db2.gz DGGYHYOYHOPTKK-JOCHJYFZSA-N 1 0 487.693 2.511 20 0 JFADRO CC1CC[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001291183123 1063279731 /nfs/dbraw/zinc/27/97/31/1063279731.db2.gz GYNVUFOIFRMDBR-UHFFFAOYSA-N 1 0 489.690 2.743 20 0 JFADRO CC1CC[NH+](CCCn2c(CC3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001291183141 1063279755 /nfs/dbraw/zinc/27/97/55/1063279755.db2.gz HOAIIRWOFWPQQI-UHFFFAOYSA-N 1 0 466.696 2.605 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001295345045 1063279947 /nfs/dbraw/zinc/27/99/47/1063279947.db2.gz RPQAHKZNXFHEJG-BJKOFHAPSA-N 1 0 497.688 2.731 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCCCCC[C@@H]32)n1CC[NH+]1CCC(C)CC1 ZINC001291184041 1063282358 /nfs/dbraw/zinc/28/23/58/1063282358.db2.gz MSJJQOQHHUTKIH-ZCNNSNEGSA-N 1 0 452.669 2.779 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291184447 1063283001 /nfs/dbraw/zinc/28/30/01/1063283001.db2.gz ZZOQCCWVWPAKEZ-BGYRXZFFSA-N 1 0 490.674 2.541 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001295345597 1063283919 /nfs/dbraw/zinc/28/39/19/1063283919.db2.gz HIFCRUUHEJYIIY-LJQANCHMSA-N 1 0 466.634 2.971 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295345779 1063285228 /nfs/dbraw/zinc/28/52/28/1063285228.db2.gz LKKASUJKSMRRFK-OYRHEFFESA-N 1 0 485.681 2.630 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001295345780 1063285794 /nfs/dbraw/zinc/28/57/94/1063285794.db2.gz LKKASUJKSMRRFK-SFTDATJTSA-N 1 0 485.681 2.630 20 0 JFADRO CC1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001291185773 1063286331 /nfs/dbraw/zinc/28/63/31/1063286331.db2.gz PRNIKRGFODVFGW-IBGZPJMESA-N 1 0 460.648 2.864 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295346333 1063286686 /nfs/dbraw/zinc/28/66/86/1063286686.db2.gz VKUAVUJQHPGUIX-PMACEKPBSA-N 1 0 456.639 2.977 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)C[C@H](C)O1 ZINC001291186138 1063288908 /nfs/dbraw/zinc/28/89/08/1063288908.db2.gz AMQFIXZOENCJRV-OKZBNKHCSA-N 1 0 458.582 2.639 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CC(C)(C)OC(C)(C)C2)C[C@H](C)O1 ZINC001291186295 1063289530 /nfs/dbraw/zinc/28/95/30/1063289530.db2.gz CNDXTSMPYGCJIT-ROUUACIJSA-N 1 0 459.639 2.960 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnccn3)n2CCCCC[NH+]2CCCCC2)CC1 ZINC001295350521 1063294491 /nfs/dbraw/zinc/29/44/91/1063294491.db2.gz CNMRKRPPZXFLGN-UHFFFAOYSA-N 1 0 483.665 2.975 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291187362 1063296073 /nfs/dbraw/zinc/29/60/73/1063296073.db2.gz SYWSXIZGNVCAMH-HDICACEKSA-N 1 0 457.623 2.579 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187411 1063296688 /nfs/dbraw/zinc/29/66/88/1063296688.db2.gz UGLULQXLQVQWSP-WOJBJXKFSA-N 1 0 469.634 2.647 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCO[C@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001291187952 1063298906 /nfs/dbraw/zinc/29/89/06/1063298906.db2.gz BPOCXJXYWCHRQW-GGPKGHCWSA-N 1 0 459.639 2.775 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccccc2)C[C@@H](C)O1 ZINC001291188032 1063299819 /nfs/dbraw/zinc/29/98/19/1063299819.db2.gz DEDBWBWCAOPDLG-WOJBJXKFSA-N 1 0 454.619 2.925 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001291188017 1063299853 /nfs/dbraw/zinc/29/98/53/1063299853.db2.gz CYWBGOHZQYOOJV-BGYRXZFFSA-N 1 0 486.661 2.987 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001295351993 1063300040 /nfs/dbraw/zinc/30/00/40/1063300040.db2.gz WJKSTQSVRYPKBP-NRFANRHFSA-N 1 0 463.671 2.875 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188181 1063301605 /nfs/dbraw/zinc/30/16/05/1063301605.db2.gz GLZBABSNCWRBFI-HOTGVXAUSA-N 1 0 468.597 2.956 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@@H](C)O1 ZINC001291188162 1063301646 /nfs/dbraw/zinc/30/16/46/1063301646.db2.gz GIBPIVWRKASACG-GUDVDZBRSA-N 1 0 472.609 2.563 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCc2cnccn2)C[C@H](C)O1 ZINC001291188290 1063302532 /nfs/dbraw/zinc/30/25/32/1063302532.db2.gz HVKMVUOKWBPZHC-BGYRXZFFSA-N 1 0 464.618 2.621 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291188512 1063303739 /nfs/dbraw/zinc/30/37/39/1063303739.db2.gz LKDXGPJEBDAIJE-FHWLQOOXSA-N 1 0 488.608 2.586 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001291188705 1063304405 /nfs/dbraw/zinc/30/44/05/1063304405.db2.gz PGLOJLQMNNFNFB-WOJBJXKFSA-N 1 0 498.672 2.979 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CCc3ccccc3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291188801 1063305121 /nfs/dbraw/zinc/30/51/21/1063305121.db2.gz QWDMXLKYRYPJRV-VWPQPMDRSA-N 1 0 468.646 2.653 20 0 JFADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1F ZINC001291188975 1063306967 /nfs/dbraw/zinc/30/69/67/1063306967.db2.gz UBECKTFTKAAVEU-BDXSIMOUSA-N 1 0 478.638 2.952 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCCC3=O)C2)C[C@@H](C)O1 ZINC001291189250 1063308230 /nfs/dbraw/zinc/30/82/30/1063308230.db2.gz YCIRROMZBCUHTC-VAMGGRTRSA-N 1 0 460.667 2.956 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295357778 1063313607 /nfs/dbraw/zinc/31/36/07/1063313607.db2.gz BOZBRNWAHWFJPO-MOPGFXCFSA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001295357995 1063313968 /nfs/dbraw/zinc/31/39/68/1063313968.db2.gz FFZVKPSULCKONM-RBUKOAKNSA-N 1 0 455.607 2.787 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(F)ccc2Br)n1CC1([NH+](C)C)CCC1 ZINC001291190269 1063314668 /nfs/dbraw/zinc/31/46/68/1063314668.db2.gz SHWYUTBSCUYNRT-AWEZNQCLSA-N 1 0 479.398 2.998 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCCC2)CC1 ZINC001295358329 1063314949 /nfs/dbraw/zinc/31/49/49/1063314949.db2.gz IUTSKMJLEMCXET-UHFFFAOYSA-N 1 0 473.597 2.676 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001295358332 1063315002 /nfs/dbraw/zinc/31/50/02/1063315002.db2.gz IVYUHPOBIHHZKX-HSZRJFAPSA-N 1 0 499.660 2.702 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001295358706 1063315840 /nfs/dbraw/zinc/31/58/40/1063315840.db2.gz MBCUITJMTUOLAN-IBGZPJMESA-N 1 0 461.655 2.518 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295358951 1063316812 /nfs/dbraw/zinc/31/68/12/1063316812.db2.gz RSEWRSUAYFSWOO-MOPGFXCFSA-N 1 0 479.670 2.982 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001295359018 1063317801 /nfs/dbraw/zinc/31/78/01/1063317801.db2.gz TVLAXGUCJAWNDY-NRFANRHFSA-N 1 0 453.635 2.961 20 0 JFADRO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295359034 1063318570 /nfs/dbraw/zinc/31/85/70/1063318570.db2.gz UCDJMYCLNIPGNM-PZJWPPBQSA-N 1 0 490.674 2.891 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001295360445 1063320760 /nfs/dbraw/zinc/32/07/60/1063320760.db2.gz DJQJZPCMUCGPDT-RBUKOAKNSA-N 1 0 498.607 2.874 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295360534 1063321192 /nfs/dbraw/zinc/32/11/92/1063321192.db2.gz FHFUGLDCEPWEFM-FXAWDEMLSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(F)(F)F)CC1 ZINC001295362917 1063323096 /nfs/dbraw/zinc/32/30/96/1063323096.db2.gz SGCHVFRCAJMVNF-HUUCEWRRSA-N 1 0 468.590 2.787 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001295363400 1063324421 /nfs/dbraw/zinc/32/44/21/1063324421.db2.gz VUEXNDADCJDJRJ-LJQANCHMSA-N 1 0 476.069 2.975 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001295363579 1063324946 /nfs/dbraw/zinc/32/49/46/1063324946.db2.gz CGDBBJCOMJQXHP-SFHVURJKSA-N 1 0 485.658 2.742 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C(C)(C)C)cc2)n1CC[NH+]1CCSCC1 ZINC001291194045 1063325204 /nfs/dbraw/zinc/32/52/04/1063325204.db2.gz NZIITCJUKUGXPP-IBGZPJMESA-N 1 0 486.686 2.870 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cccc(C)c2)C1 ZINC001295364429 1063325996 /nfs/dbraw/zinc/32/59/96/1063325996.db2.gz ZANGYJOTOUWORY-DYXWJJEUSA-N 1 0 462.664 2.921 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1 ZINC001295365412 1063327653 /nfs/dbraw/zinc/32/76/53/1063327653.db2.gz HWWLBANCDRWYQU-GOSISDBHSA-N 1 0 463.648 2.942 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 ZINC001295367043 1063330987 /nfs/dbraw/zinc/33/09/87/1063330987.db2.gz SDEVAJSYYOYZTP-AZUAARDMSA-N 1 0 486.646 2.512 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001295367461 1063332322 /nfs/dbraw/zinc/33/23/22/1063332322.db2.gz UKLHKNDSTPKCGG-GHTZIAJQSA-N 1 0 492.690 2.787 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001295367463 1063332554 /nfs/dbraw/zinc/33/25/54/1063332554.db2.gz UKLHKNDSTPKCGG-RXVVDRJESA-N 1 0 492.690 2.787 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295368946 1063333744 /nfs/dbraw/zinc/33/37/44/1063333744.db2.gz YSRWEYMGXKVGNO-FPOVZHCZSA-N 1 0 471.650 2.710 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC(C)(C)O1 ZINC001291195515 1063334247 /nfs/dbraw/zinc/33/42/47/1063334247.db2.gz SKPNATIJBLWOCU-YLJYHZDGSA-N 1 0 458.582 2.960 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001295369791 1063334747 /nfs/dbraw/zinc/33/47/47/1063334747.db2.gz KEGQEUAKFMGACC-QZTJIDSGSA-N 1 0 453.595 2.645 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001295369560 1063334788 /nfs/dbraw/zinc/33/47/88/1063334788.db2.gz INFLZBLTFAJULM-ZWKOTPCHSA-N 1 0 471.631 2.915 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 ZINC001295369460 1063334826 /nfs/dbraw/zinc/33/48/26/1063334826.db2.gz GTLKCFGUFNVKPW-UZLBHIALSA-N 1 0 455.563 2.953 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195917 1063336006 /nfs/dbraw/zinc/33/60/06/1063336006.db2.gz ANXYNNDLTMFEPC-QZTJIDSGSA-N 1 0 485.599 2.707 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCCO1 ZINC001291196200 1063337394 /nfs/dbraw/zinc/33/73/94/1063337394.db2.gz HBJAJZPGEGFXFR-HXUWFJFHSA-N 1 0 470.618 2.508 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCC(=O)Nc1ccccc1 ZINC001291196265 1063337962 /nfs/dbraw/zinc/33/79/62/1063337962.db2.gz IBMSNXIBCHAIAI-LJQANCHMSA-N 1 0 467.618 2.756 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291196335 1063338405 /nfs/dbraw/zinc/33/84/05/1063338405.db2.gz JFGHYNAPJFACJM-LJQANCHMSA-N 1 0 489.665 2.740 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncc(Cl)n1C ZINC001295373428 1063341060 /nfs/dbraw/zinc/34/10/60/1063341060.db2.gz NWPZCDFLBDRKQX-CQSZACIVSA-N 1 0 462.986 2.759 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001295373465 1063341462 /nfs/dbraw/zinc/34/14/62/1063341462.db2.gz OIIMZMGWDHORLR-MSOLQXFVSA-N 1 0 477.679 2.972 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001295373537 1063341590 /nfs/dbraw/zinc/34/15/90/1063341590.db2.gz PFIGOACBRVQLJN-CVEARBPZSA-N 1 0 485.555 2.809 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(C)OC[C@@H]1C ZINC001295373466 1063341630 /nfs/dbraw/zinc/34/16/30/1063341630.db2.gz OIIMZMGWDHORLR-ROUUACIJSA-N 1 0 477.679 2.972 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295374551 1063343659 /nfs/dbraw/zinc/34/36/59/1063343659.db2.gz XINCAZMGGWYYLZ-QIJUGHKUSA-N 1 0 497.644 2.816 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295376086 1063344784 /nfs/dbraw/zinc/34/47/84/1063344784.db2.gz JCBKMSGHAATPEN-HSALFYBXSA-N 1 0 480.654 2.980 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291198059 1063346895 /nfs/dbraw/zinc/34/68/95/1063346895.db2.gz OZTCCGVYZCAVMF-JTYJAPAGSA-N 1 0 487.674 2.783 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001295378474 1063348118 /nfs/dbraw/zinc/34/81/18/1063348118.db2.gz FPVBESFYGRUWKZ-IFMALSPDSA-N 1 0 454.619 2.783 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001295378590 1063348568 /nfs/dbraw/zinc/34/85/68/1063348568.db2.gz GXCGQPXSXHXFHE-RBBKRZOGSA-N 1 0 486.636 2.933 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291198582 1063349646 /nfs/dbraw/zinc/34/96/46/1063349646.db2.gz YXWRUOBJRCDTIS-RTBURBONSA-N 1 0 498.632 2.761 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291198580 1063349770 /nfs/dbraw/zinc/34/97/70/1063349770.db2.gz YXWRUOBJRCDTIS-OALUTQOASA-N 1 0 498.632 2.761 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001295378809 1063349825 /nfs/dbraw/zinc/34/98/25/1063349825.db2.gz KFEDIIRCZKHKQM-UGKGYDQZSA-N 1 0 492.665 2.743 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1 ZINC001295379227 1063350441 /nfs/dbraw/zinc/35/04/41/1063350441.db2.gz LKYQJQMXRGPPJL-KBAYOESNSA-N 1 0 459.607 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001295379878 1063351701 /nfs/dbraw/zinc/35/17/01/1063351701.db2.gz NHOQZEWUIYSBOX-MJGOQNOKSA-N 1 0 458.607 2.813 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001295380327 1063353158 /nfs/dbraw/zinc/35/31/58/1063353158.db2.gz PKZIDUMLIKBCPA-KGVIQGDOSA-N 1 0 455.669 2.552 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001295380899 1063353621 /nfs/dbraw/zinc/35/36/21/1063353621.db2.gz RYMXFVSXQJOTDJ-GKVSMKOHSA-N 1 0 485.608 2.553 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001295381682 1063354242 /nfs/dbraw/zinc/35/42/42/1063354242.db2.gz VYHDLVOHBRTGME-MOPGFXCFSA-N 1 0 466.627 2.544 20 0 JFADRO COC(=O)[C@@H](CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)Cc1ccccc1OC ZINC001295382959 1063355374 /nfs/dbraw/zinc/35/53/74/1063355374.db2.gz MXXKESWDVLHRAV-JOCHJYFZSA-N 1 0 453.583 2.987 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001295383766 1063357125 /nfs/dbraw/zinc/35/71/25/1063357125.db2.gz COVVZGJLULBFBH-MOPGFXCFSA-N 1 0 490.674 2.774 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291201874 1063358596 /nfs/dbraw/zinc/35/85/96/1063358596.db2.gz CWVXGZIPNBKQRJ-IXDOHACOSA-N 1 0 474.572 2.674 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295385096 1063360230 /nfs/dbraw/zinc/36/02/30/1063360230.db2.gz JQKMVSZRKQGBSZ-PMACEKPBSA-N 1 0 474.654 2.973 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205147 1063362241 /nfs/dbraw/zinc/36/22/41/1063362241.db2.gz FLHIOZQXNDVAHH-CABCVRRESA-N 1 0 487.095 2.962 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205148 1063362388 /nfs/dbraw/zinc/36/23/88/1063362388.db2.gz FLHIOZQXNDVAHH-GJZGRUSLSA-N 1 0 487.095 2.962 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001295386861 1063363465 /nfs/dbraw/zinc/36/34/65/1063363465.db2.gz BNAOQPWEQXEFKU-QGZVFWFLSA-N 1 0 481.567 2.889 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001295387187 1063364170 /nfs/dbraw/zinc/36/41/70/1063364170.db2.gz YMJKOTCJRLVBCV-QFIPXVFZSA-N 1 0 495.672 2.792 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291205543 1063364845 /nfs/dbraw/zinc/36/48/45/1063364845.db2.gz KKPNANAYKGAHOG-LVQVYYBASA-N 1 0 472.706 2.583 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001295387288 1063364752 /nfs/dbraw/zinc/36/47/52/1063364752.db2.gz ZSUMSQBSORCJFS-WOJBJXKFSA-N 1 0 456.591 2.845 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001295389680 1063367735 /nfs/dbraw/zinc/36/77/35/1063367735.db2.gz GIBPVDDYZTZWDQ-RBUKOAKNSA-N 1 0 458.582 2.928 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295390222 1063368977 /nfs/dbraw/zinc/36/89/77/1063368977.db2.gz LUGMMOWIAVOFTK-DENIHFKCSA-N 1 0 486.661 2.836 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295390459 1063369570 /nfs/dbraw/zinc/36/95/70/1063369570.db2.gz SPGXEIZTMRHRNV-OAQYLSRUSA-N 1 0 461.614 2.957 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC(C)(C)C2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291206621 1063369964 /nfs/dbraw/zinc/36/99/64/1063369964.db2.gz ZCQTTWFMBPZOID-SJORKVTESA-N 1 0 452.669 2.635 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390550 1063370155 /nfs/dbraw/zinc/37/01/55/1063370155.db2.gz QLUHWDTYUGIMRF-NBGIEHNGSA-N 1 0 489.640 2.910 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295390920 1063372432 /nfs/dbraw/zinc/37/24/32/1063372432.db2.gz SRZSJIJHYGBCIX-PUFAWVJESA-N 1 0 492.665 2.775 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccccc1 ZINC001295391059 1063373740 /nfs/dbraw/zinc/37/37/40/1063373740.db2.gz DKLAGKVZIBLQSB-XMMPIXPASA-N 1 0 495.672 2.950 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1)c1ccco1 ZINC001295391698 1063375474 /nfs/dbraw/zinc/37/54/74/1063375474.db2.gz HEIRBXGTAFQCIZ-QUCCMNQESA-N 1 0 471.606 2.844 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001295392632 1063377019 /nfs/dbraw/zinc/37/70/19/1063377019.db2.gz ZYKZXRAJBXVKMK-NRFANRHFSA-N 1 0 487.718 2.795 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C ZINC001295392553 1063377065 /nfs/dbraw/zinc/37/70/65/1063377065.db2.gz YJFUMSPRANKJPG-NHCUHLMSSA-N 1 0 480.661 2.940 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295392618 1063377232 /nfs/dbraw/zinc/37/72/32/1063377232.db2.gz ZWIZSWSDUINOOI-KRWDZBQOSA-N 1 0 451.612 2.752 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001291208596 1063380702 /nfs/dbraw/zinc/38/07/02/1063380702.db2.gz ZMWXKBAGOMXOQG-BNDYYXHWSA-N 1 0 482.695 2.547 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001295394133 1063380863 /nfs/dbraw/zinc/38/08/63/1063380863.db2.gz XVJHPNXUQIMUSL-QUCCMNQESA-N 1 0 487.674 2.751 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1)c1ccco1 ZINC001295397397 1063383548 /nfs/dbraw/zinc/38/35/48/1063383548.db2.gz MOWNQTWGSXCLFS-PKOBYXMFSA-N 1 0 452.559 2.941 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001295403586 1063388367 /nfs/dbraw/zinc/38/83/67/1063388367.db2.gz GBJNDMXFGNCVQW-FUDKSRODSA-N 1 0 488.633 2.737 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001295405863 1063395149 /nfs/dbraw/zinc/39/51/49/1063395149.db2.gz UZPZIQOKEQRAAN-FQEVSTJZSA-N 1 0 475.707 2.930 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001295405865 1063395211 /nfs/dbraw/zinc/39/52/11/1063395211.db2.gz UZPZIQOKEQRAAN-HXUWFJFHSA-N 1 0 475.707 2.930 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC001291211696 1063395914 /nfs/dbraw/zinc/39/59/14/1063395914.db2.gz ZIRCDOPLLUIHFB-ACJLOTCBSA-N 1 0 455.426 2.698 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001295406813 1063396949 /nfs/dbraw/zinc/39/69/49/1063396949.db2.gz MSGKNQZMPLZLJX-LEWJYISDSA-N 1 0 456.591 2.754 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C)c1ccco1 ZINC001295407341 1063398411 /nfs/dbraw/zinc/39/84/11/1063398411.db2.gz SZZOCBKSXWOIKC-HDAAZOAOSA-N 1 0 494.662 2.522 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccsc1 ZINC001295407559 1063399175 /nfs/dbraw/zinc/39/91/75/1063399175.db2.gz WQKGMOPHDPUQMS-MOPGFXCFSA-N 1 0 462.664 2.963 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccco1 ZINC001295407707 1063399826 /nfs/dbraw/zinc/39/98/26/1063399826.db2.gz XOXVYFWFBBMZDI-NHCUHLMSSA-N 1 0 458.607 2.953 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccco1 ZINC001295408112 1063401284 /nfs/dbraw/zinc/40/12/84/1063401284.db2.gz YXZJUMGFVRVXQX-UNMCSNQZSA-N 1 0 484.576 2.635 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001295408362 1063401977 /nfs/dbraw/zinc/40/19/77/1063401977.db2.gz ZJMMXZZPOZYJRR-DHIUTWEWSA-N 1 0 482.654 2.970 20 0 JFADRO C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(OC(F)F)c3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291213547 1063407466 /nfs/dbraw/zinc/40/74/66/1063407466.db2.gz HHWZBROJHWITPV-YTZAWJCFSA-N 1 0 495.571 2.897 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291213899 1063409466 /nfs/dbraw/zinc/40/94/66/1063409466.db2.gz MUZBCDVUSPFIIT-MOPGFXCFSA-N 1 0 490.674 2.683 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)CC[N@@H+](C2CCC2)C1 ZINC001291214929 1063420731 /nfs/dbraw/zinc/42/07/31/1063420731.db2.gz GTULEWOSMCJGRR-GOSISDBHSA-N 1 0 475.659 2.820 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)CC1 ZINC001295463007 1063462617 /nfs/dbraw/zinc/46/26/17/1063462617.db2.gz HCXYUZSICUGKGO-KRWDZBQOSA-N 1 0 474.631 2.993 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295463045 1063463997 /nfs/dbraw/zinc/46/39/97/1063463997.db2.gz IHXMHGXHQWOGFJ-SJORKVTESA-N 1 0 472.725 2.731 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCOCC2)CC1 ZINC001295465099 1063469140 /nfs/dbraw/zinc/46/91/40/1063469140.db2.gz PIVAUVUQIFAYTN-UHFFFAOYSA-N 1 0 473.618 2.814 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnn(C)c3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001295472480 1063477804 /nfs/dbraw/zinc/47/78/04/1063477804.db2.gz RXNUCVBQJPVLMF-UHFFFAOYSA-N 1 0 492.554 2.910 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 ZINC001295473642 1063478623 /nfs/dbraw/zinc/47/86/23/1063478623.db2.gz SHYIERUGGPJLRI-IBGZPJMESA-N 1 0 461.632 2.548 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)CC1 ZINC001295473864 1063479504 /nfs/dbraw/zinc/47/95/04/1063479504.db2.gz WEYMZHUFPLZMOD-IBGZPJMESA-N 1 0 467.680 2.840 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC001295474741 1063482207 /nfs/dbraw/zinc/48/22/07/1063482207.db2.gz GLYLYIZTCCSAEK-ICSRJNTNSA-N 1 0 490.674 2.632 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229785 1063482400 /nfs/dbraw/zinc/48/24/00/1063482400.db2.gz OFOIDIPLYNREMO-AEFFLSMTSA-N 1 0 467.540 2.522 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 ZINC001295474820 1063483093 /nfs/dbraw/zinc/48/30/93/1063483093.db2.gz HLRFSJULOMEOCT-UHFFFAOYSA-N 1 0 471.646 2.924 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N2CCOCC2)CC1 ZINC001295474844 1063483925 /nfs/dbraw/zinc/48/39/25/1063483925.db2.gz IMDQJRZZGACKDO-UHFFFAOYSA-N 1 0 468.646 2.623 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CC(F)(F)F)CC1 ZINC001295475294 1063484592 /nfs/dbraw/zinc/48/45/92/1063484592.db2.gz RICUDVTUBOSYKB-UHFFFAOYSA-N 1 0 470.588 2.944 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230728 1063484998 /nfs/dbraw/zinc/48/49/98/1063484998.db2.gz HXECBTYTYONQLA-UXHICEINSA-N 1 0 487.649 2.576 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)cc2F)CC1 ZINC001295479379 1063487642 /nfs/dbraw/zinc/48/76/42/1063487642.db2.gz DIBCISLKPPPVLR-UHFFFAOYSA-N 1 0 460.598 2.762 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CCC2)CC1 ZINC001295480388 1063490350 /nfs/dbraw/zinc/49/03/50/1063490350.db2.gz LQHOOXDOXFHVFY-CCKSIXTGSA-N 1 0 467.680 2.614 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291232747 1063491898 /nfs/dbraw/zinc/49/18/98/1063491898.db2.gz SCDVWGVTAZVANX-IEBWSBKVSA-N 1 0 473.647 2.738 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccco2)CC1 ZINC001295481320 1063492744 /nfs/dbraw/zinc/49/27/44/1063492744.db2.gz VGGXNQCWMPINTF-XZOYJPPVSA-N 1 0 461.607 2.813 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2sccc2C)CC1 ZINC001295481903 1063495639 /nfs/dbraw/zinc/49/56/39/1063495639.db2.gz BVJDUQDMRYICDZ-UHFFFAOYSA-N 1 0 453.616 2.749 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCc2ccsc2)CC1 ZINC001295482178 1063496901 /nfs/dbraw/zinc/49/69/01/1063496901.db2.gz FJARBZAOAVRRJZ-UHFFFAOYSA-N 1 0 453.616 2.635 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@](C)(O)CC)CC1 ZINC001295482189 1063496966 /nfs/dbraw/zinc/49/69/66/1063496966.db2.gz FUZAJOMVLRYSIK-SANMLTNESA-N 1 0 479.629 2.645 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CC1 ZINC001295482237 1063497886 /nfs/dbraw/zinc/49/78/86/1063497886.db2.gz GNDQNSZIGKPEHM-UHFFFAOYSA-N 1 0 483.642 2.757 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2=CCCOC2)CC1 ZINC001295482429 1063501317 /nfs/dbraw/zinc/50/13/17/1063501317.db2.gz NWSIZTYDIVRZPP-UHFFFAOYSA-N 1 0 473.021 2.936 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC001291237066 1063502105 /nfs/dbraw/zinc/50/21/05/1063502105.db2.gz QSQUQECYCGFWTL-IBGZPJMESA-N 1 0 451.575 2.533 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291237118 1063502123 /nfs/dbraw/zinc/50/21/23/1063502123.db2.gz RMQCUHFHIMSJTH-MJGOQNOKSA-N 1 0 470.622 2.959 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CCOC(C)(C)C)CC1 ZINC001295482541 1063502350 /nfs/dbraw/zinc/50/23/50/1063502350.db2.gz SGOBHADINRKYJM-UHFFFAOYSA-N 1 0 472.634 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC(C)C)nc2)CC1 ZINC001295482521 1063502407 /nfs/dbraw/zinc/50/24/07/1063502407.db2.gz ROVGDLJBAPXMOU-UHFFFAOYSA-N 1 0 492.628 2.561 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295482595 1063502858 /nfs/dbraw/zinc/50/28/58/1063502858.db2.gz UOUIUJZLXIONNC-MHZLTWQESA-N 1 0 491.640 2.628 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)C)CC1 ZINC001295482576 1063502915 /nfs/dbraw/zinc/50/29/15/1063502915.db2.gz TZFWXORVPFHQPK-UHFFFAOYSA-N 1 0 458.607 2.609 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001295482734 1063505638 /nfs/dbraw/zinc/50/56/38/1063505638.db2.gz YXXZTWAIJPWPSK-NFBKMPQASA-N 1 0 472.634 2.898 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295482737 1063505677 /nfs/dbraw/zinc/50/56/77/1063505677.db2.gz YXXZTWAIJPWPSK-REWPJTCUSA-N 1 0 472.634 2.898 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C)c2)CC1 ZINC001295483091 1063506449 /nfs/dbraw/zinc/50/64/49/1063506449.db2.gz BSZDVYNTMGVFCY-QHCPKHFHSA-N 1 0 468.646 2.714 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@@H](C)C1 ZINC001291238448 1063506667 /nfs/dbraw/zinc/50/66/67/1063506667.db2.gz QQJOYPJZKYHSSZ-KRWDZBQOSA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001295483378 1063506957 /nfs/dbraw/zinc/50/69/57/1063506957.db2.gz CRVGCNSBCFHRHP-FQEVSTJZSA-N 1 0 475.037 2.783 20 0 JFADRO C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291238903 1063508694 /nfs/dbraw/zinc/50/86/94/1063508694.db2.gz ZOIJHTLTPJLYNI-HRCADAONSA-N 1 0 451.666 2.519 20 0 JFADRO C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+](C)C ZINC001291238901 1063508797 /nfs/dbraw/zinc/50/87/97/1063508797.db2.gz ZOIJHTLTPJLYNI-ARFHVFGLSA-N 1 0 451.666 2.519 20 0 JFADRO C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291238904 1063508859 /nfs/dbraw/zinc/50/88/59/1063508859.db2.gz ZOIJHTLTPJLYNI-OAGGEKHMSA-N 1 0 451.666 2.519 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2sc(C)nc2C)CC1 ZINC001295484397 1063511168 /nfs/dbraw/zinc/51/11/68/1063511168.db2.gz NCVGKYPIRIZHCW-UHFFFAOYSA-N 1 0 482.658 2.761 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241231 1063511305 /nfs/dbraw/zinc/51/13/05/1063511305.db2.gz LSAPJHFJJKJLTG-ATZDWAIDSA-N 1 0 497.541 2.744 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241233 1063511388 /nfs/dbraw/zinc/51/13/88/1063511388.db2.gz LSAPJHFJJKJLTG-LZQZEXGQSA-N 1 0 497.541 2.744 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291241363 1063511843 /nfs/dbraw/zinc/51/18/43/1063511843.db2.gz MYCXPBXERXCZFB-MOPGFXCFSA-N 1 0 489.665 2.797 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@H]2C)C1)C(C)C ZINC001291241316 1063511898 /nfs/dbraw/zinc/51/18/98/1063511898.db2.gz MKGVRVHOBPASKR-KCOOYEKVSA-N 1 0 462.639 2.511 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](OC)c2ccccc2)CC1 ZINC001295484714 1063512686 /nfs/dbraw/zinc/51/26/86/1063512686.db2.gz QPHPITYQUYWXBC-DHIUTWEWSA-N 1 0 484.645 2.898 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241741 1063513187 /nfs/dbraw/zinc/51/31/87/1063513187.db2.gz SHCUVFALGMTVIY-CEXWTWQISA-N 1 0 477.654 2.558 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241791 1063513948 /nfs/dbraw/zinc/51/39/48/1063513948.db2.gz SPDDECAXAMUECV-NZSAHSFTSA-N 1 0 479.551 2.605 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 ZINC001295490534 1063516718 /nfs/dbraw/zinc/51/67/18/1063516718.db2.gz UGUNKBZFZCPEOH-UHFFFAOYSA-N 1 0 462.664 2.744 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2c(C)coc2C)CC1 ZINC001295490656 1063517361 /nfs/dbraw/zinc/51/73/61/1063517361.db2.gz CRAZWJGIZXFTJP-UHFFFAOYSA-N 1 0 465.602 2.512 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001295490880 1063518493 /nfs/dbraw/zinc/51/84/93/1063518493.db2.gz IABQEUXVJNENHJ-UHFFFAOYSA-N 1 0 493.578 2.878 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2Cc2ccnc(N3CCCCC3)c2)CC1 ZINC001295490936 1063520074 /nfs/dbraw/zinc/52/00/74/1063520074.db2.gz JYQDXUWJQQZMHE-UHFFFAOYSA-N 1 0 496.704 2.901 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(F)cc2)CC1 ZINC001295490939 1063520158 /nfs/dbraw/zinc/52/01/58/1063520158.db2.gz JZBLJWXJCASFAY-UHFFFAOYSA-N 1 0 496.635 2.512 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC2(O)CCCCC2)CC1 ZINC001295491322 1063522406 /nfs/dbraw/zinc/52/24/06/1063522406.db2.gz SGPNPHGXSJRAHY-UHFFFAOYSA-N 1 0 460.667 2.696 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291248369 1063522485 /nfs/dbraw/zinc/52/24/85/1063522485.db2.gz PLOQGTPQRAWGGU-PLOUGOBLSA-N 1 0 462.639 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2CC2CC(F)(F)C2)CC1 ZINC001295491870 1063524776 /nfs/dbraw/zinc/52/47/76/1063524776.db2.gz YAYLMIYPOBGUIY-UHFFFAOYSA-N 1 0 490.599 2.913 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](NC(C)=O)C2)cc1 ZINC001295492246 1063525483 /nfs/dbraw/zinc/52/54/83/1063525483.db2.gz ACMRHDZKJRMOAX-QHCPKHFHSA-N 1 0 464.618 2.674 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](C(=O)NC)C2)cc1 ZINC001295492449 1063525750 /nfs/dbraw/zinc/52/57/50/1063525750.db2.gz BMAQPTYCFHEAEL-YADHBBJMSA-N 1 0 454.619 2.635 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 ZINC001295493045 1063526965 /nfs/dbraw/zinc/52/69/65/1063526965.db2.gz FVHPUGNHRDXAGT-DEOSSOPVSA-N 1 0 495.672 2.709 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[C@@H]32)c1 ZINC001295493636 1063527876 /nfs/dbraw/zinc/52/78/76/1063527876.db2.gz TYMLMTWTORRPOL-WMQCIHAUSA-N 1 0 460.648 2.767 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(=O)NC)C2)cc1 ZINC001295495012 1063530859 /nfs/dbraw/zinc/53/08/59/1063530859.db2.gz XXKMSSVXVANYSB-NRFANRHFSA-N 1 0 462.602 2.588 20 0 JFADRO O=C(c1cc(Br)cc(C(F)(F)F)c1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001295495864 1063531921 /nfs/dbraw/zinc/53/19/21/1063531921.db2.gz FAZYZKUGVUKTDY-UHFFFAOYSA-N 1 0 451.283 2.767 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](C)(C(=O)NC)C2)c1 ZINC001295499672 1063532873 /nfs/dbraw/zinc/53/28/73/1063532873.db2.gz CSUIXCVNMDFFDF-BWKNWUBXSA-N 1 0 454.619 2.982 20 0 JFADRO CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001291253144 1063535171 /nfs/dbraw/zinc/53/51/71/1063535171.db2.gz DSTMRLGBPMIMJN-AZUAARDMSA-N 1 0 461.632 2.698 20 0 JFADRO CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C[NH+](CC)CC)c2)C[C@H]1C ZINC001295501310 1063535345 /nfs/dbraw/zinc/53/53/45/1063535345.db2.gz XHYZBXSTYKKDJC-OFNKIYASSA-N 1 0 488.702 2.601 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(F)c2)C1 ZINC001295502296 1063536385 /nfs/dbraw/zinc/53/63/85/1063536385.db2.gz DBYSBWKNPLFLBX-LJQANCHMSA-N 1 0 458.582 2.900 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295502817 1063536962 /nfs/dbraw/zinc/53/69/62/1063536962.db2.gz HUWVGHYEXXYDTF-HSZRJFAPSA-N 1 0 499.685 2.653 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001295502874 1063537665 /nfs/dbraw/zinc/53/76/65/1063537665.db2.gz GZPQWIFKMTVHDV-IBGZPJMESA-N 1 0 491.600 2.632 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c[nH]nc3c2)C1 ZINC001295503076 1063538110 /nfs/dbraw/zinc/53/81/10/1063538110.db2.gz JNQDVQXXRDXHIS-IBGZPJMESA-N 1 0 452.607 2.703 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(COC)CC1 ZINC001295504412 1063539949 /nfs/dbraw/zinc/53/99/49/1063539949.db2.gz SSSTZLVNDCKCAN-JOCHJYFZSA-N 1 0 454.619 2.982 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(COC)CC1 ZINC001295504413 1063540034 /nfs/dbraw/zinc/54/00/34/1063540034.db2.gz SSSTZLVNDCKCAN-QFIPXVFZSA-N 1 0 454.619 2.982 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C ZINC001295504575 1063540395 /nfs/dbraw/zinc/54/03/95/1063540395.db2.gz UUAJOUYYLJOAPX-OAQYLSRUSA-N 1 0 493.660 2.998 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC001291254952 1063541460 /nfs/dbraw/zinc/54/14/60/1063541460.db2.gz BCHQETDUYOHYHY-AQNXPRMDSA-N 1 0 478.638 2.686 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001295509852 1063544733 /nfs/dbraw/zinc/54/47/33/1063544733.db2.gz WNVGPPOFAFLGJE-RTBURBONSA-N 1 0 461.632 2.557 20 0 JFADRO Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001295514098 1063547989 /nfs/dbraw/zinc/54/79/89/1063547989.db2.gz NBSYYXDXFRWVNY-UHFFFAOYSA-N 1 0 454.619 2.789 20 0 JFADRO C[C@H](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001291256392 1063548012 /nfs/dbraw/zinc/54/80/12/1063548012.db2.gz UFILHPXREUFPDJ-HBMCJLEFSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)C(C)C ZINC001291256732 1063550068 /nfs/dbraw/zinc/55/00/68/1063550068.db2.gz YRVRBTZWQDMXOA-SFTDATJTSA-N 1 0 498.738 2.992 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001295516155 1063550347 /nfs/dbraw/zinc/55/03/47/1063550347.db2.gz FNXCVMWONPLZRV-FCHUYYIVSA-N 1 0 453.635 2.691 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 ZINC001295516049 1063550423 /nfs/dbraw/zinc/55/04/23/1063550423.db2.gz FLGNOMGBCUWWGJ-ROUUACIJSA-N 1 0 467.586 2.675 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001295516191 1063551484 /nfs/dbraw/zinc/55/14/84/1063551484.db2.gz GDGXBHPZCBIXOG-RTWAWAEBSA-N 1 0 490.674 2.579 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001295516378 1063552417 /nfs/dbraw/zinc/55/24/17/1063552417.db2.gz HPHLHSFBFZWVKX-FGZHOGPDSA-N 1 0 459.660 2.981 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(C)O)C1 ZINC001295516368 1063552581 /nfs/dbraw/zinc/55/25/81/1063552581.db2.gz HKPLGMCLPVDDNS-WOJBJXKFSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)C1 ZINC001295517665 1063554445 /nfs/dbraw/zinc/55/44/45/1063554445.db2.gz MJWUXALSUSWARO-OAQYLSRUSA-N 1 0 489.064 2.939 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC001295517732 1063554473 /nfs/dbraw/zinc/55/44/73/1063554473.db2.gz MTVLXADUAHIZHD-QFIPXVFZSA-N 1 0 482.654 2.884 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001295518596 1063555509 /nfs/dbraw/zinc/55/55/09/1063555509.db2.gz QJHKCDRENMVIKB-SFTDATJTSA-N 1 0 455.607 2.742 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C(N)=O)nc2)C1 ZINC001295520710 1063556934 /nfs/dbraw/zinc/55/69/34/1063556934.db2.gz UYGOLCLVJZIRDW-SFHVURJKSA-N 1 0 483.567 2.857 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)C1 ZINC001295521379 1063558612 /nfs/dbraw/zinc/55/86/12/1063558612.db2.gz ZDSDYMCXQYXSBR-RBBKRZOGSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295522696 1063559780 /nfs/dbraw/zinc/55/97/80/1063559780.db2.gz MHXVUPWLYVXMAL-HXUWFJFHSA-N 1 0 491.681 2.987 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(=O)N(C)C)C1 ZINC001295523126 1063560082 /nfs/dbraw/zinc/56/00/82/1063560082.db2.gz OSNUROQMORSSOX-MOPGFXCFSA-N 1 0 477.654 2.606 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001295524443 1063562119 /nfs/dbraw/zinc/56/21/19/1063562119.db2.gz LINVUIHDXWPZPU-CQSZACIVSA-N 1 0 453.385 2.767 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291263687 1063562376 /nfs/dbraw/zinc/56/23/76/1063562376.db2.gz OQVMDTZKKNRPMO-GOSISDBHSA-N 1 0 463.623 2.753 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001295524738 1063562749 /nfs/dbraw/zinc/56/27/49/1063562749.db2.gz OJCOSHSJBZZFIW-DEOSSOPVSA-N 1 0 455.607 2.581 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295525446 1063564182 /nfs/dbraw/zinc/56/41/82/1063564182.db2.gz WREJWCHHWILNEQ-XMMPIXPASA-N 1 0 491.036 2.589 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCC2)CCN1CC(F)(F)F ZINC001291265037 1063565465 /nfs/dbraw/zinc/56/54/65/1063565465.db2.gz MRKGYVNEBCZKFK-SFHVURJKSA-N 1 0 451.541 2.823 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Br)s2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295527320 1063565329 /nfs/dbraw/zinc/56/53/29/1063565329.db2.gz HJXGKHZJZIRBNT-UHFFFAOYSA-N 1 0 484.468 2.962 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C)C(=O)C1 ZINC001295530451 1063567335 /nfs/dbraw/zinc/56/73/35/1063567335.db2.gz LGHMPOIXNGHGLT-UHFFFAOYSA-N 1 0 467.387 2.857 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C(=O)OC)CC1 ZINC001295530597 1063567352 /nfs/dbraw/zinc/56/73/52/1063567352.db2.gz OHEARAPVXHKNII-UHFFFAOYSA-N 1 0 457.575 2.838 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(-c4ccccn4)n3CCC[NH+](CC)CC)CC2)C1=O ZINC001295531294 1063568283 /nfs/dbraw/zinc/56/82/83/1063568283.db2.gz UAZQMXPXYNWVIK-UHFFFAOYSA-N 1 0 454.623 2.798 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC(F)(F)F)CC1 ZINC001295535051 1063572047 /nfs/dbraw/zinc/57/20/47/1063572047.db2.gz SCKGRUXPPHDGAJ-UHFFFAOYSA-N 1 0 485.555 2.812 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)C[C@H]1CCCO1 ZINC001295535725 1063572990 /nfs/dbraw/zinc/57/29/90/1063572990.db2.gz YRGDJPSSCWTAEI-GOSISDBHSA-N 1 0 453.591 2.539 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001295538132 1063573694 /nfs/dbraw/zinc/57/36/94/1063573694.db2.gz CQUIOKXTZKOHSK-DEOSSOPVSA-N 1 0 490.674 2.776 20 0 JFADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC001295538749 1063574147 /nfs/dbraw/zinc/57/41/47/1063574147.db2.gz IFAJCNRPNQKHSX-OAQYLSRUSA-N 1 0 476.572 2.989 20 0 JFADRO CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001295541276 1063576171 /nfs/dbraw/zinc/57/61/71/1063576171.db2.gz IOUPRNOOXOWOQL-RBBKRZOGSA-N 1 0 461.699 2.587 20 0 JFADRO C[C@H]1CN(c2nnc(CC3CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291270576 1063576441 /nfs/dbraw/zinc/57/64/41/1063576441.db2.gz KOTGQFHKPNKBQJ-HKUYNNGSSA-N 1 0 458.573 2.540 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295541481 1063576712 /nfs/dbraw/zinc/57/67/12/1063576712.db2.gz LDFUAQXPRMSIIA-QGZVFWFLSA-N 1 0 455.575 2.827 20 0 JFADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(=O)N1C ZINC001291274864 1063581448 /nfs/dbraw/zinc/58/14/48/1063581448.db2.gz JDJNMUYBSKRWSJ-FQEVSTJZSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295546083 1063581767 /nfs/dbraw/zinc/58/17/67/1063581767.db2.gz XBCQHVMRFQNFAM-UHFFFAOYSA-N 1 0 457.623 2.667 20 0 JFADRO CC[NH+](CC)CCCn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001295546472 1063581808 /nfs/dbraw/zinc/58/18/08/1063581808.db2.gz ZDGRJTDHZQQWGV-UHFFFAOYSA-N 1 0 451.662 2.846 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC001291275019 1063581793 /nfs/dbraw/zinc/58/17/93/1063581793.db2.gz LHAHVEPEFVJZNN-OAQYLSRUSA-N 1 0 456.635 2.541 20 0 JFADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001291275092 1063582502 /nfs/dbraw/zinc/58/25/02/1063582502.db2.gz MMXRFBJLXDWEPX-GMAHTHKFSA-N 1 0 470.662 2.644 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC001295550786 1063583783 /nfs/dbraw/zinc/58/37/83/1063583783.db2.gz MGVCGDVXWPICAF-QGZVFWFLSA-N 1 0 475.663 2.607 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H](C(F)(F)F)O1 ZINC001291275578 1063583924 /nfs/dbraw/zinc/58/39/24/1063583924.db2.gz VESMDYSMDWNDHM-SJORKVTESA-N 1 0 472.556 2.821 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001295553258 1063586114 /nfs/dbraw/zinc/58/61/14/1063586114.db2.gz DDKWFPVHKBWFIW-NHCUHLMSSA-N 1 0 467.662 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001295553958 1063586950 /nfs/dbraw/zinc/58/69/50/1063586950.db2.gz NSUBAGQUFJRWTF-QUCCMNQESA-N 1 0 470.618 2.894 20 0 JFADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC001291276923 1063588616 /nfs/dbraw/zinc/58/86/16/1063588616.db2.gz UWKNWQQTRLSXGK-WOJBJXKFSA-N 1 0 454.619 2.903 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001295554712 1063588881 /nfs/dbraw/zinc/58/88/81/1063588881.db2.gz DYXWQLMLRCSWMO-RHSMWYFYSA-N 1 0 466.428 2.871 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC(F)(F)C1 ZINC001295554876 1063589284 /nfs/dbraw/zinc/58/92/84/1063589284.db2.gz KLKIALZTZKHDOK-MRXNPFEDSA-N 1 0 470.590 2.771 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001295555298 1063589905 /nfs/dbraw/zinc/58/99/05/1063589905.db2.gz YDKJUDZRWAKKJC-CABCVRRESA-N 1 0 466.428 2.728 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(Br)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CC(C)(C)O1 ZINC001291277480 1063590740 /nfs/dbraw/zinc/59/07/40/1063590740.db2.gz DUCCALFXFFIUTJ-ZHRRBRCNSA-N 1 0 494.434 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ncccc2F)C1 ZINC001295558983 1063590797 /nfs/dbraw/zinc/59/07/97/1063590797.db2.gz BJFWTFWTQFVJKJ-ZIFCJYIRSA-N 1 0 459.570 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001295559049 1063591373 /nfs/dbraw/zinc/59/13/73/1063591373.db2.gz AIFYQDJJSUBMLL-DYESRHJHSA-N 1 0 483.596 2.948 20 0 JFADRO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccccc2OCC[NH+](C)C)CCCO1 ZINC001291277527 1063591890 /nfs/dbraw/zinc/59/18/90/1063591890.db2.gz FNHOCUFUUQKRGZ-IBGZPJMESA-N 1 0 498.653 2.874 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC001295560903 1063594571 /nfs/dbraw/zinc/59/45/71/1063594571.db2.gz ZZNLGFXVDQHHMG-DYESRHJHSA-N 1 0 485.608 2.628 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295563499 1063596902 /nfs/dbraw/zinc/59/69/02/1063596902.db2.gz MLSHATXGUQVSRD-LVCYWYKZSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 ZINC001295571896 1063609156 /nfs/dbraw/zinc/60/91/56/1063609156.db2.gz DFLJFAJPALZKMP-NFBKMPQASA-N 1 0 484.645 2.760 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295572923 1063610804 /nfs/dbraw/zinc/61/08/04/1063610804.db2.gz PMFNIJHMDYCLMI-TYBLODHISA-N 1 0 476.666 2.640 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001295573140 1063611439 /nfs/dbraw/zinc/61/14/39/1063611439.db2.gz SXHNDOQUIHDSHL-SSGKUCQKSA-N 1 0 489.709 2.677 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001295573114 1063611546 /nfs/dbraw/zinc/61/15/46/1063611546.db2.gz RWOHFUDEFGCYBV-ZSXDVEMLSA-N 1 0 492.621 2.893 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001295578289 1063617055 /nfs/dbraw/zinc/61/70/55/1063617055.db2.gz HBJCBRRTUSVPOE-HXUWFJFHSA-N 1 0 481.645 2.629 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001291285787 1063627743 /nfs/dbraw/zinc/62/77/43/1063627743.db2.gz XRLKSJJOVCUHAK-SLFFLAALSA-N 1 0 492.665 2.714 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001291285788 1063627755 /nfs/dbraw/zinc/62/77/55/1063627755.db2.gz XRLKSJJOVCUHAK-VAMGGRTRSA-N 1 0 492.665 2.714 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291286681 1063633621 /nfs/dbraw/zinc/63/36/21/1063633621.db2.gz NILOQZWZOLUJNA-WOJBJXKFSA-N 1 0 491.681 2.601 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)C[C@H](C)O1 ZINC001291287570 1063640514 /nfs/dbraw/zinc/64/05/14/1063640514.db2.gz FAQWMHMTKOZYQJ-UEXGIBASSA-N 1 0 491.036 2.586 20 0 JFADRO CC(C)c1nc([C@@H]2CN(c3nnc(C(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CCO2)no1 ZINC001291287633 1063641239 /nfs/dbraw/zinc/64/12/39/1063641239.db2.gz FVVKEPVOHVKJHV-QRVBRYPASA-N 1 0 461.611 2.985 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2cnn(C)c2)C[C@@H](C)O1 ZINC001291287775 1063643008 /nfs/dbraw/zinc/64/30/08/1063643008.db2.gz HPSKIXOVUOQVLB-HZPDHXFCSA-N 1 0 491.438 2.905 20 0 JFADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291287997 1063644845 /nfs/dbraw/zinc/64/48/45/1063644845.db2.gz LIVYZSRGWYTGRO-OALUTQOASA-N 1 0 491.036 2.851 20 0 JFADRO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288008 1063645983 /nfs/dbraw/zinc/64/59/83/1063645983.db2.gz LTAOZGFXXIQCGZ-XWTMOSNGSA-N 1 0 484.692 2.647 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CC(F)C2)C[C@@H](C)O1 ZINC001291288578 1063650342 /nfs/dbraw/zinc/65/03/42/1063650342.db2.gz VAKWJDLRAPUYSU-YYZRRKBYSA-N 1 0 459.570 2.609 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001291288752 1063652526 /nfs/dbraw/zinc/65/25/26/1063652526.db2.gz XYYAGBLOUDKJNA-OALUTQOASA-N 1 0 458.582 2.789 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCCCC1 ZINC001295605839 1063652932 /nfs/dbraw/zinc/65/29/32/1063652932.db2.gz VIHUZEIUHBKSBZ-FQEVSTJZSA-N 1 0 456.591 2.759 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288877 1063653315 /nfs/dbraw/zinc/65/33/15/1063653315.db2.gz ZSKZJNYNKZOERE-MSOLQXFVSA-N 1 0 461.010 2.766 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291289181 1063654695 /nfs/dbraw/zinc/65/46/95/1063654695.db2.gz FWDFFOFMMPKQGT-CALCHBBNSA-N 1 0 483.995 2.880 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)C2)C[C@H](C)O1 ZINC001291289123 1063654787 /nfs/dbraw/zinc/65/47/87/1063654787.db2.gz DYPARRGEJOPJEW-IYBDPMFKSA-N 1 0 464.973 2.515 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@@H](C)O1 ZINC001291289717 1063658961 /nfs/dbraw/zinc/65/89/61/1063658961.db2.gz OSFCYCSCVKUFDR-QWFCFKBJSA-N 1 0 494.562 2.949 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291289747 1063659487 /nfs/dbraw/zinc/65/94/87/1063659487.db2.gz PGYUXFJKLZPPEA-ROUUACIJSA-N 1 0 460.598 2.934 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291289975 1063660416 /nfs/dbraw/zinc/66/04/16/1063660416.db2.gz SNVLDIVNWIDDNF-HBMCJLEFSA-N 1 0 471.650 2.524 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291289978 1063661565 /nfs/dbraw/zinc/66/15/65/1063661565.db2.gz SNVLDIVNWIDDNF-QHAWAJNXSA-N 1 0 471.650 2.524 20 0 JFADRO C[C@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291291111 1063666423 /nfs/dbraw/zinc/66/64/23/1063666423.db2.gz KFMUSMGHLILRCA-URFJDIBFSA-N 1 0 484.645 2.892 20 0 JFADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291291112 1063666735 /nfs/dbraw/zinc/66/67/35/1063666735.db2.gz KFMUSMGHLILRCA-VAWZGJIGSA-N 1 0 484.645 2.892 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291325 1063670267 /nfs/dbraw/zinc/67/02/67/1063670267.db2.gz NCMQQDIYVNYUOB-LRSLUSHPSA-N 1 0 476.666 2.760 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291291400 1063670362 /nfs/dbraw/zinc/67/03/62/1063670362.db2.gz OKLQZKCVBMLKMC-IPMKNSEASA-N 1 0 481.601 2.800 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291291401 1063670977 /nfs/dbraw/zinc/67/09/77/1063670977.db2.gz OKLQZKCVBMLKMC-QRVBRYPASA-N 1 0 481.601 2.800 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001295635032 1063677535 /nfs/dbraw/zinc/67/75/35/1063677535.db2.gz BYLXCUIAZNEUDI-SJLPKXTDSA-N 1 0 466.677 2.993 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CCc3ccccc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291292676 1063677653 /nfs/dbraw/zinc/67/76/53/1063677653.db2.gz HRTAWPSUFIPAQQ-OYRHEFFESA-N 1 0 468.646 2.654 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccsc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291292995 1063680046 /nfs/dbraw/zinc/68/00/46/1063680046.db2.gz MRHCQCITMYTENW-HDICACEKSA-N 1 0 460.648 2.522 20 0 JFADRO C[C@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291293109 1063681932 /nfs/dbraw/zinc/68/19/32/1063681932.db2.gz PEEIEYMNSZLZQG-PMACEKPBSA-N 1 0 495.594 2.838 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291293784 1063686118 /nfs/dbraw/zinc/68/61/18/1063686118.db2.gz ZLYVKSZXIFAXJX-FGZHOGPDSA-N 1 0 468.646 2.621 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001295645847 1063686636 /nfs/dbraw/zinc/68/66/36/1063686636.db2.gz BHTWNZDSFBKEJO-FQEVSTJZSA-N 1 0 456.639 2.929 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@@H](C)O1 ZINC001291294027 1063686753 /nfs/dbraw/zinc/68/67/53/1063686753.db2.gz CZUUMVQFKMPFEA-JFIYKMOQSA-N 1 0 473.540 2.977 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(N3CCC(C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001291294205 1063688680 /nfs/dbraw/zinc/68/86/80/1063688680.db2.gz GJDUSMKLWJDZDF-WOJBJXKFSA-N 1 0 460.667 2.914 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001291294431 1063689693 /nfs/dbraw/zinc/68/96/93/1063689693.db2.gz JILMHBUNBSCLLL-AZUAARDMSA-N 1 0 489.665 2.544 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001291294613 1063690662 /nfs/dbraw/zinc/69/06/62/1063690662.db2.gz MSXHAWNQEVEYMK-ZFVIQDPVSA-N 1 0 490.693 2.788 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294767 1063691540 /nfs/dbraw/zinc/69/15/40/1063691540.db2.gz PEJPPPNSPCFCIT-ZIAGYGMSSA-N 1 0 483.361 2.762 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295467 1063695928 /nfs/dbraw/zinc/69/59/28/1063695928.db2.gz ZJMPDYFRZQONED-IRXDYDNUSA-N 1 0 464.408 2.780 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291295536 1063696422 /nfs/dbraw/zinc/69/64/22/1063696422.db2.gz AFIALFQXMVDAOV-UYAOXDASSA-N 1 0 455.607 2.804 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2cccnc2)n1CCN(C)C(=O)OC(C)(C)C ZINC001291295534 1063696485 /nfs/dbraw/zinc/69/64/85/1063696485.db2.gz AFIALFQXMVDAOV-ICSRJNTNSA-N 1 0 455.607 2.804 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295662047 1063703834 /nfs/dbraw/zinc/70/38/34/1063703834.db2.gz LVGJOKXZUANTBU-HXUWFJFHSA-N 1 0 451.619 2.906 20 0 JFADRO C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001291301490 1063709608 /nfs/dbraw/zinc/70/96/08/1063709608.db2.gz DMKXYJUOWQLHCP-PXNSSMCTSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001291301855 1063710246 /nfs/dbraw/zinc/71/02/46/1063710246.db2.gz LXHVMMCDHZUNPD-SJLPKXTDSA-N 1 0 481.439 2.508 20 0 JFADRO CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)[NH+](CC)CC ZINC001295671641 1063713355 /nfs/dbraw/zinc/71/33/55/1063713355.db2.gz GTYSTIORNRNLST-GOSISDBHSA-N 1 0 480.617 2.920 20 0 JFADRO C[C@H]1COCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001291304687 1063714816 /nfs/dbraw/zinc/71/48/16/1063714816.db2.gz PQEOZXDPARJCGQ-RBUKOAKNSA-N 1 0 480.679 2.667 20 0 JFADRO C[C@@H]1COCCN1c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[N@H+](C)C1CCCC1 ZINC001291305272 1063715877 /nfs/dbraw/zinc/71/58/77/1063715877.db2.gz ZWTOMALXPSZLHL-UYAOXDASSA-N 1 0 478.638 2.686 20 0 JFADRO C[C@H]1COCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001291306337 1063717298 /nfs/dbraw/zinc/71/72/98/1063717298.db2.gz XCKSCGNWUQREAP-FQEVSTJZSA-N 1 0 450.587 2.868 20 0 JFADRO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001295694957 1063724143 /nfs/dbraw/zinc/72/41/43/1063724143.db2.gz ADVKKWAKEFGCTJ-UHFFFAOYSA-N 1 0 450.587 2.971 20 0 JFADRO C[C@@H]1COCCN1CCn1c(CC(C)(C)C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001291308610 1063730883 /nfs/dbraw/zinc/73/08/83/1063730883.db2.gz PVLCKUXLJMNFFA-XMMPIXPASA-N 1 0 497.732 2.841 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C(=O)NC(C)C)n1CC[N@H+]1CC=CCC1 ZINC001295749478 1063755885 /nfs/dbraw/zinc/75/58/85/1063755885.db2.gz RBHWWRGVNHRBPU-UHFFFAOYSA-N 1 0 480.661 2.816 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C[NH+](C)C ZINC001295754003 1063760776 /nfs/dbraw/zinc/76/07/76/1063760776.db2.gz VAPMIIFZWYPURR-HXUWFJFHSA-N 1 0 453.595 2.514 20 0 JFADRO C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291320842 1063760902 /nfs/dbraw/zinc/76/09/02/1063760902.db2.gz BIBWANWBPOOHNH-YCRPNKLZSA-N 1 0 481.439 2.886 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1)CC(F)(F)F ZINC001295764665 1063771533 /nfs/dbraw/zinc/77/15/33/1063771533.db2.gz VNVXWDQCEKLKTF-GCJKJVERSA-N 1 0 466.552 2.722 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CC[N@H+](C)C2)C1)CC(F)(F)F ZINC001295764664 1063771557 /nfs/dbraw/zinc/77/15/57/1063771557.db2.gz VNVXWDQCEKLKTF-AVRDEDQJSA-N 1 0 466.552 2.722 20 0 JFADRO CCN(C[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1)CC(F)(F)F ZINC001295764667 1063772000 /nfs/dbraw/zinc/77/20/00/1063772000.db2.gz VNVXWDQCEKLKTF-XMSQKQJNSA-N 1 0 466.552 2.722 20 0 JFADRO C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291324806 1063772760 /nfs/dbraw/zinc/77/27/60/1063772760.db2.gz AMBSTVUTXRAUQA-UUOWRZLLSA-N 1 0 461.582 2.847 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCCC2)C1)CC(F)(F)F ZINC001295766660 1063774865 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/nfs/dbraw/zinc/79/73/52/1063797352.db2.gz LXKXCDSKJZXHGF-FQEVSTJZSA-N 1 0 478.663 2.830 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC[N@H+](C)C(C)C)C1 ZINC001291339297 1063811756 /nfs/dbraw/zinc/81/17/56/1063811756.db2.gz LEFOHWSKVRSZKQ-IBGZPJMESA-N 1 0 456.591 2.552 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc4cccnc43)n2CC[N@H+](C)CCOC)C1 ZINC001291339284 1063811929 /nfs/dbraw/zinc/81/19/29/1063811929.db2.gz KXTXPTVVHCVYFK-HXUWFJFHSA-N 1 0 465.602 2.567 20 0 JFADRO CCN(CCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1)S(C)(=O)=O ZINC001295814314 1063813783 /nfs/dbraw/zinc/81/37/83/1063813783.db2.gz KAJFODAHCVXORW-UHFFFAOYSA-N 1 0 480.654 2.600 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001291339606 1063814069 /nfs/dbraw/zinc/81/40/69/1063814069.db2.gz QVPAKFVJFXRHRO-JTSKRJEESA-N 1 0 478.066 2.926 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001291340188 1063816867 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1064040793 /nfs/dbraw/zinc/04/07/93/1064040793.db2.gz KIVRTGVDJFGENU-YQQAZPJKSA-N 1 0 491.434 2.914 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC1(O)CCCC1 ZINC001291485066 1064041901 /nfs/dbraw/zinc/04/19/01/1064041901.db2.gz JOKOZOOTQNBCAH-HXUWFJFHSA-N 1 0 460.667 2.915 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001291484780 1064041911 /nfs/dbraw/zinc/04/19/11/1064041911.db2.gz FBCUVBVNKUNNKW-WXTAPIANSA-N 1 0 486.636 2.839 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@@H]1C ZINC001295985491 1064043032 /nfs/dbraw/zinc/04/30/32/1064043032.db2.gz RGEYWRANCHTEJM-IRXDYDNUSA-N 1 0 469.055 2.847 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCNS(=O)(=O)CC)C[C@H]1C ZINC001295985493 1064043048 /nfs/dbraw/zinc/04/30/48/1064043048.db2.gz RGEYWRANCHTEJM-SJORKVTESA-N 1 0 469.055 2.847 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295990177 1064045539 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ZINC001291494184 1064047485 /nfs/dbraw/zinc/04/74/85/1064047485.db2.gz WIHAKAMUTWLEON-YCRPNKLZSA-N 1 0 487.571 2.880 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001295993486 1064048779 /nfs/dbraw/zinc/04/87/79/1064048779.db2.gz HVJCVUMMHRLLTK-PMACEKPBSA-N 1 0 464.618 2.822 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001295993525 1064049347 /nfs/dbraw/zinc/04/93/47/1064049347.db2.gz IJRYMAOWPSTXNQ-SJORKVTESA-N 1 0 456.595 2.949 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001295994073 1064050132 /nfs/dbraw/zinc/05/01/32/1064050132.db2.gz IULLLQRCFDVLGN-RTBURBONSA-N 1 0 451.575 2.728 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(OCCO)c(OC)c2)C[C@@H]1C ZINC001295994234 1064050256 /nfs/dbraw/zinc/05/02/56/1064050256.db2.gz VBZIJTBJWBFACV-RBUKOAKNSA-N 1 0 466.586 2.687 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001291497444 1064050387 /nfs/dbraw/zinc/05/03/87/1064050387.db2.gz XKAKFQNBDVABSI-UWJYYQICSA-N 1 0 485.608 2.829 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001295994748 1064050550 /nfs/dbraw/zinc/05/05/50/1064050550.db2.gz JKARCAZWKWBMAT-SOLBZPMBSA-N 1 0 493.454 2.588 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@H]1C ZINC001295995765 1064051416 /nfs/dbraw/zinc/05/14/16/1064051416.db2.gz JKKFMJSHAIOOOT-MOPGFXCFSA-N 1 0 456.639 2.532 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(C)(C)O)C[C@@H]1C ZINC001295995774 1064051514 /nfs/dbraw/zinc/05/15/14/1064051514.db2.gz JKKFMJSHAIOOOT-RBUKOAKNSA-N 1 0 456.639 2.532 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001295996167 1064052158 /nfs/dbraw/zinc/05/21/58/1064052158.db2.gz MPDXMUYSAGJQJW-IAGOWNOFSA-N 1 0 469.590 2.672 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)C[C@H]1C ZINC001295997412 1064053139 /nfs/dbraw/zinc/05/31/39/1064053139.db2.gz QQLOJENOMGGUBS-VKJFTORMSA-N 1 0 465.524 2.805 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)C[C@H]1C ZINC001295997826 1064054363 /nfs/dbraw/zinc/05/43/63/1064054363.db2.gz SJBGHBZIFWDMKT-YRPNKDGESA-N 1 0 470.618 2.872 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@H]1C ZINC001295998694 1064055591 /nfs/dbraw/zinc/05/55/91/1064055591.db2.gz VAVOSVWGKNTLBQ-QZTJIDSGSA-N 1 0 453.591 2.538 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC001295999514 1064056551 /nfs/dbraw/zinc/05/65/51/1064056551.db2.gz BGLMNKSCNVETIZ-ZWKOTPCHSA-N 1 0 451.550 2.961 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291506484 1064056857 /nfs/dbraw/zinc/05/68/57/1064056857.db2.gz ABLWSLFFGJFUGS-RTBURBONSA-N 1 0 454.685 2.772 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCCNC(=O)c2cccc(O)c2)C[C@@H]1C ZINC001296000811 1064056961 /nfs/dbraw/zinc/05/69/61/1064056961.db2.gz FAHNZOCKDNNYPI-VQTJNVASSA-N 1 0 477.613 2.709 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001296003662 1064058963 /nfs/dbraw/zinc/05/89/63/1064058963.db2.gz VHXROIAJGRGEDF-MSOLQXFVSA-N 1 0 451.575 2.643 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cccc(C)c2)C[C@H]1C ZINC001296004255 1064059291 /nfs/dbraw/zinc/05/92/91/1064059291.db2.gz YDBZHHZIZFHPHK-NHCUHLMSSA-N 1 0 461.614 2.921 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291508315 1064059583 /nfs/dbraw/zinc/05/95/83/1064059583.db2.gz KANCNGWDRIBBJG-IBGZPJMESA-N 1 0 484.736 2.625 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001296007634 1064061133 /nfs/dbraw/zinc/06/11/33/1064061133.db2.gz FILVQVXZZJCZOS-RBUKOAKNSA-N 1 0 466.634 2.598 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296007646 1064061305 /nfs/dbraw/zinc/06/13/05/1064061305.db2.gz FMBJPCRNCGONAB-BHIFYINESA-N 1 0 456.635 2.539 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001291510318 1064061671 /nfs/dbraw/zinc/06/16/71/1064061671.db2.gz SUPNSOKPMVHKLB-FPOVZHCZSA-N 1 0 459.683 2.701 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001291510475 1064061947 /nfs/dbraw/zinc/06/19/47/1064061947.db2.gz WPJHTAUBGBAYMG-IBGZPJMESA-N 1 0 469.634 2.774 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(C)n(C)c1=O ZINC001291510643 1064062435 /nfs/dbraw/zinc/06/24/35/1064062435.db2.gz ZSYSZDZMHNSZQQ-FQEVSTJZSA-N 1 0 469.678 2.842 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC3CCCC3)n2Cc2cccc(S(=O)(=O)NC)c2)C[C@@H]1C ZINC001296008384 1064062434 /nfs/dbraw/zinc/06/24/34/1064062434.db2.gz HJYKTHIEDGKPIM-OALUTQOASA-N 1 0 474.675 2.886 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008962 1064063471 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/nfs/dbraw/zinc/06/70/06/1064067006.db2.gz IHENTXCBQOWWQC-LSDHHAIUSA-N 1 0 474.660 2.591 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291514642 1064068048 /nfs/dbraw/zinc/06/80/48/1064068048.db2.gz WSKHFEGCKFUUOJ-FPOVZHCZSA-N 1 0 483.665 2.605 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001291522059 1064073912 /nfs/dbraw/zinc/07/39/12/1064073912.db2.gz YBUONBCNZWGPFE-LEWJYISDSA-N 1 0 459.683 2.514 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291522061 1064073946 /nfs/dbraw/zinc/07/39/46/1064073946.db2.gz YBUONBCNZWGPFE-RTWAWAEBSA-N 1 0 459.683 2.514 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001296013591 1064074482 /nfs/dbraw/zinc/07/44/82/1064074482.db2.gz WNFFRVOAFFQEFQ-LEWJYISDSA-N 1 0 482.633 2.527 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524096 1064074659 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/nfs/dbraw/zinc/13/16/81/1064131681.db2.gz BPPGKNDDCYTCAX-MJGOQNOKSA-N 1 0 477.654 2.577 20 0 JFADRO CS[C@H]1CN(C(=O)c2cccn3c(I)cnc23)C[C@@H]1[NH+]1CCCC1 ZINC001296066261 1064131715 /nfs/dbraw/zinc/13/17/15/1064131715.db2.gz VVULXBXDNSYMAZ-KBPBESRZSA-N 1 0 456.353 2.591 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC(C(N)=O)CC1 ZINC001296067698 1064132790 /nfs/dbraw/zinc/13/27/90/1064132790.db2.gz KPFDVQOLCISJKL-PMACEKPBSA-N 1 0 489.665 2.579 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(F)(F)F)CC1CC1 ZINC001296068395 1064133895 /nfs/dbraw/zinc/13/38/95/1064133895.db2.gz OKONSDNHLJFJAL-DLBZAZTESA-N 1 0 463.570 2.833 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOc1ccccc1C ZINC001296068217 1064133933 /nfs/dbraw/zinc/13/39/33/1064133933.db2.gz NAGIYEDNMOHGQZ-LEWJYISDSA-N 1 0 475.659 2.878 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291598762 1064133920 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/nfs/dbraw/zinc/14/27/29/1064142729.db2.gz NLZXXVZBSMLAAT-HXUWFJFHSA-N 1 0 469.634 2.626 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296075681 1064142755 /nfs/dbraw/zinc/14/27/55/1064142755.db2.gz PVXPUCJOMXDDBD-GOSISDBHSA-N 1 0 479.622 2.884 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001296075143 1064142758 /nfs/dbraw/zinc/14/27/58/1064142758.db2.gz NKSXLJTZEFCGAE-BZSNNMDCSA-N 1 0 473.540 2.834 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001296075704 1064143303 /nfs/dbraw/zinc/14/33/03/1064143303.db2.gz QHUGAUMTRLCFGE-TYPHKJRUSA-N 1 0 489.665 2.638 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001291607260 1064144005 /nfs/dbraw/zinc/14/40/05/1064144005.db2.gz GLRIBMKWBAVQBO-SIKLNZKXSA-N 1 0 464.618 2.990 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001296080213 1064147368 /nfs/dbraw/zinc/14/73/68/1064147368.db2.gz LEPREPJUWISWFE-GUDVDZBRSA-N 1 0 470.684 2.547 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296081200 1064148666 /nfs/dbraw/zinc/14/86/66/1064148666.db2.gz QPGYUQQKEKSWGP-AZUAARDMSA-N 1 0 489.020 2.735 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001296081203 1064148687 /nfs/dbraw/zinc/14/86/87/1064148687.db2.gz QPGYUQQKEKSWGP-UYAOXDASSA-N 1 0 489.020 2.735 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001296081251 1064148769 /nfs/dbraw/zinc/14/87/69/1064148769.db2.gz RWPUHZVSVCFWTA-QFIPXVFZSA-N 1 0 467.618 2.690 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614183 1064151325 /nfs/dbraw/zinc/15/13/25/1064151325.db2.gz IINSLPAKGOOZIF-SLFFLAALSA-N 1 0 456.639 2.716 20 0 JFADRO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)c2ccccc2c1=O ZINC001296084712 1064152319 /nfs/dbraw/zinc/15/23/19/1064152319.db2.gz NZMJYBTWGNOAEL-IBGZPJMESA-N 1 0 494.644 2.510 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085212 1064153261 /nfs/dbraw/zinc/15/32/61/1064153261.db2.gz CYEFFLWUJYQEAY-RBUKOAKNSA-N 1 0 456.591 2.627 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296085287 1064153946 /nfs/dbraw/zinc/15/39/46/1064153946.db2.gz SCPMSUPNPQPHJJ-HXUWFJFHSA-N 1 0 490.674 2.736 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296086394 1064154295 /nfs/dbraw/zinc/15/42/95/1064154295.db2.gz IESKAMCIESRKBV-XUVXKRRUSA-N 1 0 491.681 2.967 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296086389 1064154401 /nfs/dbraw/zinc/15/44/01/1064154401.db2.gz IESKAMCIESRKBV-SLFFLAALSA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ncnc4sccc43)CC2)n1CCOCC[NH+](C)C ZINC001291618119 1064155089 /nfs/dbraw/zinc/15/50/89/1064155089.db2.gz WPHDGWCZUQGMRM-KRWDZBQOSA-N 1 0 458.636 2.701 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296087097 1064155463 /nfs/dbraw/zinc/15/54/63/1064155463.db2.gz JQPATBYGEIGQQZ-SESVDKBCSA-N 1 0 490.674 2.891 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001296087124 1064156175 /nfs/dbraw/zinc/15/61/75/1064156175.db2.gz JZCURBNNBLVUKC-RDJZCZTQSA-N 1 0 461.554 2.753 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCO[C@H](C)C1 ZINC001296087307 1064156211 /nfs/dbraw/zinc/15/62/11/1064156211.db2.gz DTUSPBGVDBVDJY-TZIWHRDSSA-N 1 0 490.674 2.685 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296087633 1064156819 /nfs/dbraw/zinc/15/68/19/1064156819.db2.gz MPIXVSFLNBWLFX-NJYVYQBISA-N 1 0 492.665 2.776 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291619260 1064157191 /nfs/dbraw/zinc/15/71/91/1064157191.db2.gz LHWBNPVMPVFGRZ-WOJBJXKFSA-N 1 0 468.650 2.733 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291619252 1064157255 /nfs/dbraw/zinc/15/72/55/1064157255.db2.gz LHWBNPVMPVFGRZ-PMACEKPBSA-N 1 0 468.650 2.733 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCOCC1 ZINC001296087942 1064157244 /nfs/dbraw/zinc/15/72/44/1064157244.db2.gz PFHADAVJFORATC-UXHICEINSA-N 1 0 478.638 2.688 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088958 1064159528 /nfs/dbraw/zinc/15/95/28/1064159528.db2.gz WVUAHHYXIXTXHX-UNMCSNQZSA-N 1 0 474.675 2.627 20 0 JFADRO O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001291620748 1064159868 /nfs/dbraw/zinc/15/98/68/1064159868.db2.gz NKGOTFNXAVNNGK-UHFFFAOYSA-N 1 0 453.505 2.881 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001296089317 1064160135 /nfs/dbraw/zinc/16/01/35/1064160135.db2.gz OBJUNIGOYIXTFE-OSPHWJPCSA-N 1 0 456.591 2.538 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001296089361 1064160499 /nfs/dbraw/zinc/16/04/99/1064160499.db2.gz PDCBNSSLRJUCQU-GHTZIAJQSA-N 1 0 470.618 2.894 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001296089353 1064160612 /nfs/dbraw/zinc/16/06/12/1064160612.db2.gz OXKMCHJFNMHKPI-GOSISDBHSA-N 1 0 482.448 2.817 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCNC(=O)C1 ZINC001296089761 1064161146 /nfs/dbraw/zinc/16/11/46/1064161146.db2.gz ROCBFPDALCIVCL-CYBMUJFWSA-N 1 0 453.410 2.580 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001291621603 1064161934 /nfs/dbraw/zinc/16/19/34/1064161934.db2.gz VNNWEQCCMMZDEP-LJQANCHMSA-N 1 0 468.650 2.734 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001296092002 1064163569 /nfs/dbraw/zinc/16/35/69/1064163569.db2.gz DVQUVZISISVSTH-HXUWFJFHSA-N 1 0 459.664 2.990 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001296091886 1064163592 /nfs/dbraw/zinc/16/35/92/1064163592.db2.gz DILQDJARJYZSMZ-XPPIMPSXSA-N 1 0 470.666 2.898 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092044 1064163704 /nfs/dbraw/zinc/16/37/04/1064163704.db2.gz FMPGXYIYKRLFHL-YADHBBJMSA-N 1 0 499.660 2.868 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001296092051 1064164036 /nfs/dbraw/zinc/16/40/36/1064164036.db2.gz FRAJIEWPJNTNAH-FQEVSTJZSA-N 1 0 460.648 2.542 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001296092079 1064164119 /nfs/dbraw/zinc/16/41/19/1064164119.db2.gz GBSWKMFHCAAIDK-RBBKRZOGSA-N 1 0 487.693 2.652 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296092239 1064164629 /nfs/dbraw/zinc/16/46/29/1064164629.db2.gz HNJCZCNLOLVLFB-QHCPKHFHSA-N 1 0 486.636 2.861 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094712 1064166637 /nfs/dbraw/zinc/16/66/37/1064166637.db2.gz DEVOXJJCTRTLHL-FCHUYYIVSA-N 1 0 467.662 2.799 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001296094136 1064166667 /nfs/dbraw/zinc/16/66/67/1064166667.db2.gz UZKBVELKXWYZHD-NRFANRHFSA-N 1 0 474.675 2.784 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001296094715 1064167058 /nfs/dbraw/zinc/16/70/58/1064167058.db2.gz DEVOXJJCTRTLHL-YADHBBJMSA-N 1 0 467.662 2.799 20 0 JFADRO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](CC)CC)CC1=O ZINC001296095326 1064168313 /nfs/dbraw/zinc/16/83/13/1064168313.db2.gz HCHNIHSFMQLYAN-IBGZPJMESA-N 1 0 475.663 2.620 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291627056 1064168453 /nfs/dbraw/zinc/16/84/53/1064168453.db2.gz CKQZPDHKLANEFD-UXHICEINSA-N 1 0 472.609 2.748 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095379 1064168671 /nfs/dbraw/zinc/16/86/71/1064168671.db2.gz IMAWYVAWZARIFN-UYAOXDASSA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001291630730 1064176423 /nfs/dbraw/zinc/17/64/23/1064176423.db2.gz HXEOXTBOYMJURW-FQEVSTJZSA-N 1 0 461.699 2.950 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001296102406 1064177597 /nfs/dbraw/zinc/17/75/97/1064177597.db2.gz FYPVESDJEOWQNC-UHFFFAOYSA-N 1 0 478.439 2.969 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001291631517 1064178721 /nfs/dbraw/zinc/17/87/21/1064178721.db2.gz WBUPZAXMFXNHDP-YADHBBJMSA-N 1 0 459.683 2.801 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3cccc(C)c3)CC2)n1CCC(=O)N1CCOCC1 ZINC001291631612 1064178768 /nfs/dbraw/zinc/17/87/68/1064178768.db2.gz YEHQUWRHLWOCOF-OAQYLSRUSA-N 1 0 454.619 2.671 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccco2)[NH+](C)C)CC1=O ZINC001296103526 1064181190 /nfs/dbraw/zinc/18/11/90/1064181190.db2.gz OWQGHVQWJZFMFD-HXUWFJFHSA-N 1 0 482.585 2.917 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@H+](C)C(C)C)CC1=O ZINC001296105285 1064183682 /nfs/dbraw/zinc/18/36/82/1064183682.db2.gz JERTVJFHNFBHJM-UHFFFAOYSA-N 1 0 456.591 2.505 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001291638075 1064185178 /nfs/dbraw/zinc/18/51/78/1064185178.db2.gz FDEVAPASJDTNEQ-FQEVSTJZSA-N 1 0 460.667 2.989 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3csc(C)n3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291638447 1064185672 /nfs/dbraw/zinc/18/56/72/1064185672.db2.gz MWTKQZLPGAFUNV-NQIIRXRSSA-N 1 0 461.680 2.726 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638871 1064186007 /nfs/dbraw/zinc/18/60/07/1064186007.db2.gz KBBVZVJYFXKBED-PZJWPPBQSA-N 1 0 454.619 2.552 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCc1cccc(C(=O)NC)c1 ZINC001291638869 1064186038 /nfs/dbraw/zinc/18/60/38/1064186038.db2.gz KBBVZVJYFXKBED-CTNGQTDRSA-N 1 0 454.619 2.552 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCCCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001291638880 1064186056 /nfs/dbraw/zinc/18/60/56/1064186056.db2.gz KBQHOIVRDRZMOU-PZJWPPBQSA-N 1 0 466.696 2.775 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](OC)C(C)C ZINC001291639049 1064186898 /nfs/dbraw/zinc/18/68/98/1064186898.db2.gz LFXHMJMKPFFHBJ-BDTNDASRSA-N 1 0 450.672 2.694 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3nc(COC)no3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291639735 1064188469 /nfs/dbraw/zinc/18/84/69/1064188469.db2.gz OLKBAWSRNMINQW-WOJBJXKFSA-N 1 0 474.654 2.764 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC1CCS(=O)(=O)CC1 ZINC001291641913 1064191359 /nfs/dbraw/zinc/19/13/59/1064191359.db2.gz GQZVGYJGFHQGOR-KRWDZBQOSA-N 1 0 495.612 2.707 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCc1cnn(C)n1 ZINC001291641701 1064191379 /nfs/dbraw/zinc/19/13/79/1064191379.db2.gz DLLYULMSZMTXOP-PCCBWWKXSA-N 1 0 457.671 2.548 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291643160 1064193844 /nfs/dbraw/zinc/19/38/44/1064193844.db2.gz GLYIQPXBHAMFDC-IBGZPJMESA-N 1 0 484.736 2.625 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001291643328 1064194180 /nfs/dbraw/zinc/19/41/80/1064194180.db2.gz HEGGOLAJDHYPHG-UYAOXDASSA-N 1 0 452.669 2.670 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1=O ZINC001296113552 1064195417 /nfs/dbraw/zinc/19/54/17/1064195417.db2.gz VLQJIRRJPLTTCQ-OAQYLSRUSA-N 1 0 465.602 2.999 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291644989 1064200611 /nfs/dbraw/zinc/20/06/11/1064200611.db2.gz XWICYOYGAKPVJQ-LJQANCHMSA-N 1 0 493.678 2.554 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001296119801 1064206383 /nfs/dbraw/zinc/20/63/83/1064206383.db2.gz XCBLGPZQZQFGES-HXUWFJFHSA-N 1 0 485.702 2.898 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291655994 1064207282 /nfs/dbraw/zinc/20/72/82/1064207282.db2.gz JWPMTFOXXMSITF-WMZHIEFXSA-N 1 0 459.639 2.512 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)CC1 ZINC001296120103 1064207773 /nfs/dbraw/zinc/20/77/73/1064207773.db2.gz DRUFOSKHUNXFPW-MRXNPFEDSA-N 1 0 491.438 2.697 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120080 1064207841 /nfs/dbraw/zinc/20/78/41/1064207841.db2.gz DJRZTKJWUAXVKU-MJGOQNOKSA-N 1 0 464.561 2.798 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296120121 1064208211 /nfs/dbraw/zinc/20/82/11/1064208211.db2.gz FEBMFLLGEFBZDT-KRWDZBQOSA-N 1 0 494.482 2.925 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001296120711 1064211005 /nfs/dbraw/zinc/21/10/05/1064211005.db2.gz KJAVTSPQGQTRSN-OFVILXPXSA-N 1 0 457.667 2.769 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296121491 1064212683 /nfs/dbraw/zinc/21/26/83/1064212683.db2.gz PAIKCJQRIRTFAN-GOSISDBHSA-N 1 0 488.587 2.942 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001291669989 1064212860 /nfs/dbraw/zinc/21/28/60/1064212860.db2.gz NDIKMFUQZPHRBO-UFYCRDLUSA-N 1 0 474.654 2.902 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccc(F)cc2F)CC1 ZINC001296122056 1064213593 /nfs/dbraw/zinc/21/35/93/1064213593.db2.gz SGGXKMOJFAUGRI-GOSISDBHSA-N 1 0 498.582 2.866 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001291672385 1064214054 /nfs/dbraw/zinc/21/40/54/1064214054.db2.gz QVHVLUKGDZZUBV-XXBNENTESA-N 1 0 468.646 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122309 1064214605 /nfs/dbraw/zinc/21/46/05/1064214605.db2.gz VMWFNQNCXCPLKO-VMBXEPDQSA-N 1 0 474.625 2.790 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296122631 1064215276 /nfs/dbraw/zinc/21/52/76/1064215276.db2.gz YUQXMIZEXVAHIZ-WOJBJXKFSA-N 1 0 463.671 2.873 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296123522 1064215628 /nfs/dbraw/zinc/21/56/28/1064215628.db2.gz APPIIWNETRVDIX-NRFANRHFSA-N 1 0 456.635 2.603 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296122895 1064215766 /nfs/dbraw/zinc/21/57/66/1064215766.db2.gz ZVXRMMPBXQMZEZ-WOJBJXKFSA-N 1 0 478.645 2.528 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296124178 1064216603 /nfs/dbraw/zinc/21/66/03/1064216603.db2.gz FYBDUGVCPZOLGR-IBGZPJMESA-N 1 0 497.585 2.994 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N(C)CC(F)(F)F)CC1 ZINC001296124393 1064217156 /nfs/dbraw/zinc/21/71/56/1064217156.db2.gz HBQMDHJZKXTPSW-INIZCTEOSA-N 1 0 470.540 2.987 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125227 1064218320 /nfs/dbraw/zinc/21/83/20/1064218320.db2.gz LKZUGSXZNLMZQA-UXHICEINSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125225 1064218404 /nfs/dbraw/zinc/21/84/04/1064218404.db2.gz LKZUGSXZNLMZQA-PMACEKPBSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001296128326 1064222439 /nfs/dbraw/zinc/22/24/39/1064222439.db2.gz YBPCJWQIYHOAEH-IAGOWNOFSA-N 1 0 494.471 2.945 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129600 1064222763 /nfs/dbraw/zinc/22/27/63/1064222763.db2.gz AWQIGCTWUGXVNN-ZWKOTPCHSA-N 1 0 465.046 2.569 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129599 1064222813 /nfs/dbraw/zinc/22/28/13/1064222813.db2.gz AWQIGCTWUGXVNN-ROUUACIJSA-N 1 0 465.046 2.569 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130787 1064224173 /nfs/dbraw/zinc/22/41/73/1064224173.db2.gz FVWILAQCGXLBPA-PCCBWWKXSA-N 1 0 491.681 2.649 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)CCc2nccs2)CC1 ZINC001296131251 1064225427 /nfs/dbraw/zinc/22/54/27/1064225427.db2.gz IHONUPRVWOBUHE-KRWDZBQOSA-N 1 0 474.704 2.795 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296131838 1064227337 /nfs/dbraw/zinc/22/73/37/1064227337.db2.gz OGOCCRXPUSUIBW-KNKQGSTJSA-N 1 0 461.054 2.755 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001291720399 1064227388 /nfs/dbraw/zinc/22/73/88/1064227388.db2.gz OOPVOQOKNUHFLY-TUFLPTIASA-N 1 0 498.738 2.850 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296131972 1064227835 /nfs/dbraw/zinc/22/78/35/1064227835.db2.gz NILCJCOGCBNABR-HXUWFJFHSA-N 1 0 464.618 2.715 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132348 1064229713 /nfs/dbraw/zinc/22/97/13/1064229713.db2.gz SMXPGNKXZKPYRG-NBGIEHNGSA-N 1 0 462.683 2.667 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001296132787 1064231693 /nfs/dbraw/zinc/23/16/93/1064231693.db2.gz RTODUPXOLJHQKH-OXJNMPFZSA-N 1 0 478.016 2.684 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@](O)(c4cccc(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001296133187 1064232592 /nfs/dbraw/zinc/23/25/92/1064232592.db2.gz GMKVHNFFSKUSHE-KBMIEXCESA-N 1 0 458.626 2.839 20 0 JFADRO O=C(CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC001291748076 1064233567 /nfs/dbraw/zinc/23/35/67/1064233567.db2.gz DLUHAIBHVQNBCE-UHFFFAOYSA-N 1 0 453.914 2.628 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133626 1064234413 /nfs/dbraw/zinc/23/44/13/1064234413.db2.gz JXVJOJNIHMPFQH-RTBURBONSA-N 1 0 489.615 2.902 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 ZINC001291752358 1064235092 /nfs/dbraw/zinc/23/50/92/1064235092.db2.gz IPLYSZHVJXUKBD-SFHVURJKSA-N 1 0 456.591 2.652 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752385 1064235124 /nfs/dbraw/zinc/23/51/24/1064235124.db2.gz IZIBZXPFZIGMPZ-RBUKOAKNSA-N 1 0 477.654 2.690 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001291752383 1064235135 /nfs/dbraw/zinc/23/51/35/1064235135.db2.gz IZIBZXPFZIGMPZ-MOPGFXCFSA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296134383 1064235614 /nfs/dbraw/zinc/23/56/14/1064235614.db2.gz OJZRVCXDSRZDSC-QUCCMNQESA-N 1 0 499.626 2.542 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296134667 1064236150 /nfs/dbraw/zinc/23/61/50/1064236150.db2.gz ZMTRTGVPNBPYOX-DYESRHJHSA-N 1 0 475.588 2.560 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296134805 1064236762 /nfs/dbraw/zinc/23/67/62/1064236762.db2.gz ZVHJDPSUVJMCOW-KRWDZBQOSA-N 1 0 458.573 2.855 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCN(Cc4cnc(C)s4)CC3)nnc2C(C)(C)C)CC1 ZINC001296134927 1064237499 /nfs/dbraw/zinc/23/74/99/1064237499.db2.gz SRWWPKFJUKGMNW-LJQANCHMSA-N 1 0 474.723 2.689 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296135132 1064238528 /nfs/dbraw/zinc/23/85/28/1064238528.db2.gz WMBLJYMYDCCQCH-GHTZIAJQSA-N 1 0 457.671 2.651 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001291758804 1064238886 /nfs/dbraw/zinc/23/88/86/1064238886.db2.gz BIZTVQIAFMTQIQ-RKVPGOIHSA-N 1 0 453.429 2.984 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759342 1064239233 /nfs/dbraw/zinc/23/92/33/1064239233.db2.gz FWAGKNQZKVCXDG-DLBZAZTESA-N 1 0 466.627 2.629 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296135273 1064239273 /nfs/dbraw/zinc/23/92/73/1064239273.db2.gz XRVRAJIAARUNKW-QRVBRYPASA-N 1 0 491.731 2.626 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001296135463 1064239571 /nfs/dbraw/zinc/23/95/71/1064239571.db2.gz YUWXXSFGKFAOIC-OAQYLSRUSA-N 1 0 496.660 2.951 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291759665 1064239702 /nfs/dbraw/zinc/23/97/02/1064239702.db2.gz HKLMRMIFYQWSDD-ROUUACIJSA-N 1 0 488.633 2.758 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4ccccn4)nnc3N(C)CC(F)(F)F)cn2)CC1 ZINC001296136132 1064240882 /nfs/dbraw/zinc/24/08/82/1064240882.db2.gz DFYRHZGAUYLGGR-UHFFFAOYSA-N 1 0 460.508 2.924 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c([C@@H](C)OCCOC)nnc3N3C[C@H](C)[C@H](C)C3)cn2)CC1 ZINC001296136554 1064242356 /nfs/dbraw/zinc/24/23/56/1064242356.db2.gz IUTVUCLFEOKODT-QHAWAJNXSA-N 1 0 471.650 2.680 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291761288 1064242837 /nfs/dbraw/zinc/24/28/37/1064242837.db2.gz OTHDJHUBMKKFNQ-WBVHZDCISA-N 1 0 450.534 2.979 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001296137447 1064243168 /nfs/dbraw/zinc/24/31/68/1064243168.db2.gz OQSLYMODFXXJAF-RTBURBONSA-N 1 0 489.665 2.736 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291763101 1064243771 /nfs/dbraw/zinc/24/37/71/1064243771.db2.gz VXIPUOILHFXKKP-NMMYMHLASA-N 1 0 486.661 2.850 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291763104 1064243848 /nfs/dbraw/zinc/24/38/48/1064243848.db2.gz VXIPUOILHFXKKP-SKPFHBQLSA-N 1 0 486.661 2.850 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291763460 1064244279 /nfs/dbraw/zinc/24/42/79/1064244279.db2.gz XCXMROSIUANGQR-VLIAUNLRSA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291763462 1064244292 /nfs/dbraw/zinc/24/42/92/1064244292.db2.gz XCXMROSIUANGQR-XOBRGWDASA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001291764708 1064245147 /nfs/dbraw/zinc/24/51/47/1064245147.db2.gz FUSSBEYWUMZFBY-IBGZPJMESA-N 1 0 480.617 2.809 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001291764005 1064245167 /nfs/dbraw/zinc/24/51/67/1064245167.db2.gz AGBMOSMMNXZRAQ-OSPHWJPCSA-N 1 0 458.607 2.655 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296138877 1064245708 /nfs/dbraw/zinc/24/57/08/1064245708.db2.gz YJSKNPWVUOKRSG-OALUTQOASA-N 1 0 477.654 2.548 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291765332 1064245786 /nfs/dbraw/zinc/24/57/86/1064245786.db2.gz LAPLMFHGBUMHOD-YADHBBJMSA-N 1 0 497.688 2.817 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001296140989 1064246497 /nfs/dbraw/zinc/24/64/97/1064246497.db2.gz AYPABOKSOKCSLH-RXVVDRJESA-N 1 0 476.588 2.733 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001296141183 1064247051 /nfs/dbraw/zinc/24/70/51/1064247051.db2.gz BGSXTTXBSNMFLX-NLFFAJNJSA-N 1 0 473.618 2.937 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 ZINC001291766264 1064247648 /nfs/dbraw/zinc/24/76/48/1064247648.db2.gz UKUAJJCKLTWHDX-QGZVFWFLSA-N 1 0 479.025 2.632 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCNC(=O)C2CCC2)C[C@@H]1C ZINC001296141920 1064248072 /nfs/dbraw/zinc/24/80/72/1064248072.db2.gz HAAVMBVJSZDAAY-HNNXBMFYSA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291766733 1064248611 /nfs/dbraw/zinc/24/86/11/1064248611.db2.gz GCHGMROBOHHVRN-IBGZPJMESA-N 1 0 462.664 2.844 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCc2ccn(C)n2)C[C@H]1C ZINC001296142211 1064249041 /nfs/dbraw/zinc/24/90/41/1064249041.db2.gz BYRVPJVGBPVPAV-LJQANCHMSA-N 1 0 450.591 2.654 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCSCCCO)C[C@H]1C ZINC001296143149 1064250480 /nfs/dbraw/zinc/25/04/80/1064250480.db2.gz GBBHYLVMLQQYPG-LJQANCHMSA-N 1 0 460.648 2.793 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001296143273 1064251985 /nfs/dbraw/zinc/25/19/85/1064251985.db2.gz HNBMJXCVWGKFHP-GOSISDBHSA-N 1 0 465.606 2.665 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001296143845 1064252954 /nfs/dbraw/zinc/25/29/54/1064252954.db2.gz SAPWJYXGOBVLBK-KRWDZBQOSA-N 1 0 482.585 2.953 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 ZINC001291771233 1064253092 /nfs/dbraw/zinc/25/30/92/1064253092.db2.gz DAGYTRHWMYVFTD-FYYLOGMGSA-N 1 0 495.672 2.631 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC001296144454 1064253409 /nfs/dbraw/zinc/25/34/09/1064253409.db2.gz VBOVIJSJYYABPC-DFBJGRDBSA-N 1 0 473.618 2.915 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001291771368 1064253372 /nfs/dbraw/zinc/25/33/72/1064253372.db2.gz DJNASLHEVHCZAO-VXKWHMMOSA-N 1 0 482.677 2.512 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001296144547 1064253873 /nfs/dbraw/zinc/25/38/73/1064253873.db2.gz AERKMJPDFHBDIR-UZUQRXQVSA-N 1 0 461.632 2.694 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001296144750 1064254000 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/nfs/dbraw/zinc/30/10/94/1064301094.db2.gz PFCMTIXYJNPTTP-FSENYNONSA-N 1 0 461.582 2.579 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296174443 1064301734 /nfs/dbraw/zinc/30/17/34/1064301734.db2.gz QPILIONQBQCFGA-WMZHIEFXSA-N 1 0 483.661 2.646 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2ccnc2C)C[C@@H]1C ZINC001296174664 1064301914 /nfs/dbraw/zinc/30/19/14/1064301914.db2.gz RIENCBFGKASOHT-IBGZPJMESA-N 1 0 453.591 2.991 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291796016 1064302406 /nfs/dbraw/zinc/30/24/06/1064302406.db2.gz IRIXMCWVNVZAKG-GMAHTHKFSA-N 1 0 497.688 2.863 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001291796650 1064305157 /nfs/dbraw/zinc/30/51/57/1064305157.db2.gz LJEDENJXUKPNCD-ICSRJNTNSA-N 1 0 470.618 2.942 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3csc(COC)n3)C2)CC1 ZINC001296178562 1064305859 /nfs/dbraw/zinc/30/58/59/1064305859.db2.gz AOCDSNANBWXPQW-LJQANCHMSA-N 1 0 461.680 2.734 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)Oc4ccc(F)cc4)n3C[C@](C)(O)CC)C2)CC1 ZINC001296178734 1064306398 /nfs/dbraw/zinc/30/63/98/1064306398.db2.gz CNLGCBVMUROQER-PIBDYAPNSA-N 1 0 474.625 2.934 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3CC(C)(C)CCOC)C2)CC1 ZINC001296178642 1064306535 /nfs/dbraw/zinc/30/65/35/1064306535.db2.gz BRRPZNYXKYYVEN-NRFANRHFSA-N 1 0 455.651 2.927 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCC(C)(F)F)C2)CC1 ZINC001296178992 1064307608 /nfs/dbraw/zinc/30/76/08/1064307608.db2.gz CYPYQLNPZQEEAR-LJQANCHMSA-N 1 0 496.628 2.610 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CCC=C(C)C)C2)CC1 ZINC001296179720 1064309034 /nfs/dbraw/zinc/30/90/34/1064309034.db2.gz HQLNEVYXXWIBFS-DHLKQENFSA-N 1 0 460.667 2.891 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291798795 1064310969 /nfs/dbraw/zinc/31/09/69/1064310969.db2.gz YXKKUGVZRLOELC-GOSISDBHSA-N 1 0 458.607 2.798 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccccc4Cl)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001296180577 1064312682 /nfs/dbraw/zinc/31/26/82/1064312682.db2.gz NVVAKVDUYBNSBI-SFHVURJKSA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291803324 1064315684 /nfs/dbraw/zinc/31/56/84/1064315684.db2.gz KHSMJXQSFLSVOG-RTWAWAEBSA-N 1 0 484.645 2.807 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296181639 1064316852 /nfs/dbraw/zinc/31/68/52/1064316852.db2.gz AEQMEWKSKVWEFU-PZJWPPBQSA-N 1 0 475.682 2.702 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cc(C)cc(C)c4)n3CCCC(=O)N(C)C)C2)CC1 ZINC001296181845 1064318502 /nfs/dbraw/zinc/31/85/02/1064318502.db2.gz FKGLTGWCNGSUJW-QHCPKHFHSA-N 1 0 497.688 2.559 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181937 1064320064 /nfs/dbraw/zinc/32/00/64/1064320064.db2.gz HVKDEAONHHKDSZ-QHCPKHFHSA-N 1 0 497.688 2.918 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](c3cccc(C)c3)C2)CC1 ZINC001296181964 1064320451 /nfs/dbraw/zinc/32/04/51/1064320451.db2.gz IJKKPEUIOQMTKM-UPVQGACJSA-N 1 0 481.689 2.992 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(F)c2)CC1 ZINC001296181958 1064320492 /nfs/dbraw/zinc/32/04/92/1064320492.db2.gz IHTUWAGSAKJNSN-FQEVSTJZSA-N 1 0 471.625 2.563 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001296182875 1064324423 /nfs/dbraw/zinc/32/44/23/1064324423.db2.gz AIIMPMJHGQEDPP-GOSISDBHSA-N 1 0 472.041 2.637 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOCC2)CC1 ZINC001296182920 1064325170 /nfs/dbraw/zinc/32/51/70/1064325170.db2.gz AZCVNQDNDCNUCY-SFHVURJKSA-N 1 0 477.451 2.818 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CCC(=O)NC(C)(C)C)C2)CC1 ZINC001296182996 1064326876 /nfs/dbraw/zinc/32/68/76/1064326876.db2.gz XOCMXJAWRWPOHU-QFIPXVFZSA-N 1 0 497.688 2.687 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001296183297 1064328310 /nfs/dbraw/zinc/32/83/10/1064328310.db2.gz CVQBMSUEBZMAJA-HXUWFJFHSA-N 1 0 468.650 2.825 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC=C(c3ccccc3)C2)CC1 ZINC001296183510 1064328353 /nfs/dbraw/zinc/32/83/53/1064328353.db2.gz DRLXOKLIYLPPQP-JOCHJYFZSA-N 1 0 479.673 2.984 20 0 JFADRO CN(CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC001296184191 1064330979 /nfs/dbraw/zinc/33/09/79/1064330979.db2.gz YGIXIEWSORFEBL-UHFFFAOYSA-N 1 0 454.537 2.830 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296186681 1064334454 /nfs/dbraw/zinc/33/44/54/1064334454.db2.gz XWYFXPGMHIMNHB-RBBKRZOGSA-N 1 0 486.661 2.851 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001296190633 1064339585 /nfs/dbraw/zinc/33/95/85/1064339585.db2.gz DEOJPSCWSMRESL-JOCHJYFZSA-N 1 0 487.737 2.979 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296190843 1064340484 /nfs/dbraw/zinc/34/04/84/1064340484.db2.gz GCDINCBXVIBEAZ-XZOQPEGZSA-N 1 0 454.663 2.952 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2cnccn2)CC1 ZINC001296191227 1064341134 /nfs/dbraw/zinc/34/11/34/1064341134.db2.gz JCWZQUFCVSWCBD-NRFANRHFSA-N 1 0 462.646 2.877 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001291814999 1064343270 /nfs/dbraw/zinc/34/32/70/1064343270.db2.gz BIQRQUIISQKQCR-WOJBJXKFSA-N 1 0 453.635 2.879 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC001296191805 1064343319 /nfs/dbraw/zinc/34/33/19/1064343319.db2.gz BMEZPOQWTQGWSV-UHFFFAOYSA-N 1 0 474.698 2.547 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296192077 1064344029 /nfs/dbraw/zinc/34/40/29/1064344029.db2.gz MAJOFZJVMLHCEJ-WOVHNISZSA-N 1 0 489.709 2.854 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296192108 1064344232 /nfs/dbraw/zinc/34/42/32/1064344232.db2.gz MDKBGJNUNACYHJ-GJZUVCINSA-N 1 0 469.678 2.933 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296192181 1064344259 /nfs/dbraw/zinc/34/42/59/1064344259.db2.gz DLRUUYHKLDZNEE-HKUYNNGSSA-N 1 0 458.573 2.977 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296193337 1064349384 /nfs/dbraw/zinc/34/93/84/1064349384.db2.gz IIUMOPPVYJWPMP-UGKGYDQZSA-N 1 0 474.723 2.745 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)Cc2ccon2)CC1 ZINC001296193258 1064349640 /nfs/dbraw/zinc/34/96/40/1064349640.db2.gz ORFJHGFJTMQDMX-LJQANCHMSA-N 1 0 455.582 2.906 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296193394 1064351259 /nfs/dbraw/zinc/35/12/59/1064351259.db2.gz IXYQYJCULMWEJQ-OAQYLSRUSA-N 1 0 477.698 2.618 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194084 1064354043 /nfs/dbraw/zinc/35/40/43/1064354043.db2.gz LIDSLLFRDKGZOM-QFIPXVFZSA-N 1 0 467.662 2.523 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296194337 1064354758 /nfs/dbraw/zinc/35/47/58/1064354758.db2.gz RIFHOEZOSIXMOO-LEWJYISDSA-N 1 0 489.709 2.950 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296195273 1064359693 /nfs/dbraw/zinc/35/96/93/1064359693.db2.gz NSJHCVARINXYES-OAQYLSRUSA-N 1 0 486.709 2.666 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296195435 1064361882 /nfs/dbraw/zinc/36/18/82/1064361882.db2.gz KKYNLBOMUDNVDG-UHFFFAOYSA-N 1 0 486.665 2.748 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)CC1 ZINC001296196561 1064367973 /nfs/dbraw/zinc/36/79/73/1064367973.db2.gz USVKFNBIDZZDQG-CMKODMSKSA-N 1 0 483.583 2.713 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296196606 1064368799 /nfs/dbraw/zinc/36/87/99/1064368799.db2.gz VIMTWWMSTMTGIO-SFHVURJKSA-N 1 0 489.606 2.842 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296196992 1064371299 /nfs/dbraw/zinc/37/12/99/1064371299.db2.gz XNKBHIKPUKNKEP-VQTJNVASSA-N 1 0 475.682 2.875 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296197062 1064372658 /nfs/dbraw/zinc/37/26/58/1064372658.db2.gz SEUAHEQPJFRGOZ-QFIPXVFZSA-N 1 0 467.662 2.728 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001296197061 1064372683 /nfs/dbraw/zinc/37/26/83/1064372683.db2.gz SEUAHEQPJFRGOZ-JOCHJYFZSA-N 1 0 467.662 2.728 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001296197076 1064372786 /nfs/dbraw/zinc/37/27/86/1064372786.db2.gz SQAXSBBXIRAVII-OAQYLSRUSA-N 1 0 458.680 2.731 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001296197428 1064374127 /nfs/dbraw/zinc/37/41/27/1064374127.db2.gz YPDBJQGCNYNKQL-JOCHJYFZSA-N 1 0 457.667 2.724 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296197391 1064374137 /nfs/dbraw/zinc/37/41/37/1064374137.db2.gz XSIQJJZYVQBPLM-XZOQPEGZSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(C)cc3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296201832 1064375985 /nfs/dbraw/zinc/37/59/85/1064375985.db2.gz BGMHWHMUWSGGET-QFIPXVFZSA-N 1 0 456.635 2.808 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001296202169 1064377039 /nfs/dbraw/zinc/37/70/39/1064377039.db2.gz FWDCZJXNHKNCPH-QFIPXVFZSA-N 1 0 472.682 2.561 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296202687 1064378555 /nfs/dbraw/zinc/37/85/55/1064378555.db2.gz HLRVZYXHNYHZAG-NRFANRHFSA-N 1 0 455.651 2.685 20 0 JFADRO CCN1CC[NH+](CCCCn2c(N3CCN(C4=NCC(C)(C)S4)CC3)nnc2C(C)(C)C)CC1 ZINC001296203120 1064380581 /nfs/dbraw/zinc/38/05/81/1064380581.db2.gz IHMOSYKMSBLYFB-UHFFFAOYSA-N 1 0 490.766 2.997 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(Cl)c2)CC1 ZINC001296203586 1064381969 /nfs/dbraw/zinc/38/19/69/1064381969.db2.gz CDCLNABSDRJSRA-UHFFFAOYSA-N 1 0 457.026 2.996 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296203737 1064382154 /nfs/dbraw/zinc/38/21/54/1064382154.db2.gz OGHPCWHQMXSYTF-XMMPIXPASA-N 1 0 454.623 2.579 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001296203902 1064384148 /nfs/dbraw/zinc/38/41/48/1064384148.db2.gz CZXSCDDNWZEKOF-NHCUHLMSSA-N 1 0 450.697 2.922 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296204045 1064384883 /nfs/dbraw/zinc/38/48/83/1064384883.db2.gz QAIWFNLCBSTMKB-LJQANCHMSA-N 1 0 498.598 2.936 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296204384 1064385500 /nfs/dbraw/zinc/38/55/00/1064385500.db2.gz VAQLTVPAPVGUCJ-HSZRJFAPSA-N 1 0 483.661 2.790 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296204676 1064387185 /nfs/dbraw/zinc/38/71/85/1064387185.db2.gz VDQMBVQOJSUGST-OAQYLSRUSA-N 1 0 457.667 2.830 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001296204930 1064387832 /nfs/dbraw/zinc/38/78/32/1064387832.db2.gz NOYJJPMQOXOIRS-HXUWFJFHSA-N 1 0 481.567 2.915 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296205080 1064387840 /nfs/dbraw/zinc/38/78/40/1064387840.db2.gz WVPHGVMXIRPWOY-UGKGYDQZSA-N 1 0 471.625 2.983 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001296204775 1064387896 /nfs/dbraw/zinc/38/78/96/1064387896.db2.gz WNPJFLPUAGKXES-QFIPXVFZSA-N 1 0 461.699 2.637 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001296204983 1064388514 /nfs/dbraw/zinc/38/85/14/1064388514.db2.gz OYAAIEROFKRRAZ-UHFFFAOYSA-N 1 0 498.676 2.733 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296205216 1064390195 /nfs/dbraw/zinc/39/01/95/1064390195.db2.gz YRVXCWWDULNNDS-OAQYLSRUSA-N 1 0 455.651 2.685 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001291831125 1064391396 /nfs/dbraw/zinc/39/13/96/1064391396.db2.gz ZUMSNZOKKJPXAA-FDFHNCONSA-N 1 0 461.699 2.949 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001291831120 1064391556 /nfs/dbraw/zinc/39/15/56/1064391556.db2.gz ZPKZEPZVSNSCEG-RBBKRZOGSA-N 1 0 469.678 2.915 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291832084 1064395178 /nfs/dbraw/zinc/39/51/78/1064395178.db2.gz FVYFXUSGQLWIBW-VXKWHMMOSA-N 1 0 496.704 2.887 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001291832672 1064397803 /nfs/dbraw/zinc/39/78/03/1064397803.db2.gz HTPDOHMRAUNCJI-NZQKXSOJSA-N 1 0 467.662 2.630 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296207578 1064397833 /nfs/dbraw/zinc/39/78/33/1064397833.db2.gz YLVRSWXAXLBZRC-NZQKXSOJSA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296207580 1064398728 /nfs/dbraw/zinc/39/87/28/1064398728.db2.gz YLVRSWXAXLBZRC-REWPJTCUSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCOC(C)(C)C2)CC1 ZINC001296211310 1064401873 /nfs/dbraw/zinc/40/18/73/1064401873.db2.gz MKMLIVSJYZAWMO-UHFFFAOYSA-N 1 0 462.589 2.790 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3c(F)cccc3F)no2)c1 ZINC001296211117 1064401957 /nfs/dbraw/zinc/40/19/57/1064401957.db2.gz WRIFXZGYZDVADD-UHFFFAOYSA-N 1 0 450.467 2.712 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccsc3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296212053 1064403668 /nfs/dbraw/zinc/40/36/68/1064403668.db2.gz SRFVTFXHYPXSEK-UHFFFAOYSA-N 1 0 487.718 2.653 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2cnc(C(C)C)nc2)CC1 ZINC001296212962 1064404472 /nfs/dbraw/zinc/40/44/72/1064404472.db2.gz CSKPMXHKHIKYDV-OAQYLSRUSA-N 1 0 456.639 2.707 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001291833774 1064404986 /nfs/dbraw/zinc/40/49/86/1064404986.db2.gz OUHRZNOBEJOEKR-HXUWFJFHSA-N 1 0 486.064 2.897 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001291835180 1064413377 /nfs/dbraw/zinc/41/33/77/1064413377.db2.gz FPJXBAPXZRDZAU-XZOQPEGZSA-N 1 0 489.709 2.678 20 0 JFADRO CCn1nc(-c2nnc(N(C)Cc3cnccn3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001296215539 1064418158 /nfs/dbraw/zinc/41/81/58/1064418158.db2.gz WMVSVQAZFUEGSW-UHFFFAOYSA-N 1 0 475.601 2.689 20 0 JFADRO CCn1nc(-c2nnc(N(C)CCOC)n2CC2([NH+](C)C)CCCC2)c2ccccc2c1=O ZINC001296216532 1064424339 /nfs/dbraw/zinc/42/43/39/1064424339.db2.gz OKOVZHPFQDHFRV-UHFFFAOYSA-N 1 0 453.591 2.632 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)S[C@@H](C)C3)n2CC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296216565 1064424415 /nfs/dbraw/zinc/42/44/15/1064424415.db2.gz PNIUPMJGVUROGZ-ROUUACIJSA-N 1 0 485.658 2.583 20 0 JFADRO CCn1nc(-c2nnc(N(C)CCn3cccn3)n2CC(C)(C)C[NH+](C)C)c2ccccc2c1=O ZINC001296216971 1064425028 /nfs/dbraw/zinc/42/50/28/1064425028.db2.gz UGGRKOOOLJOZOA-UHFFFAOYSA-N 1 0 477.617 2.596 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001291838762 1064427288 /nfs/dbraw/zinc/42/72/88/1064427288.db2.gz FEHIOISVGBCCMN-JOCHJYFZSA-N 1 0 481.689 2.698 20 0 JFADRO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291839865 1064434967 /nfs/dbraw/zinc/43/49/67/1064434967.db2.gz NTDZUXDZRHLELQ-KCRWFKQWSA-N 1 0 468.646 2.770 20 0 JFADRO CCn1nc(-c2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296220813 1064436685 /nfs/dbraw/zinc/43/66/85/1064436685.db2.gz BLQGGGDCWQAICN-OAQYLSRUSA-N 1 0 497.644 2.504 20 0 JFADRO CCn1nc(-c2nnc(N3CCO[C@H](C(C)(C)C)C3)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296220809 1064436757 /nfs/dbraw/zinc/43/67/57/1064436757.db2.gz BLQGGGDCWQAICN-NRFANRHFSA-N 1 0 497.644 2.504 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001296221779 1064441829 /nfs/dbraw/zinc/44/18/29/1064441829.db2.gz ISSKPHZNJLZCBV-HXUWFJFHSA-N 1 0 475.682 2.527 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001296225387 1064453994 /nfs/dbraw/zinc/45/39/94/1064453994.db2.gz NMRLYUXLXBXSOA-UHFFFAOYSA-N 1 0 484.649 2.644 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001296225767 1064455801 /nfs/dbraw/zinc/45/58/01/1064455801.db2.gz RFHYGKLJIQGOCA-UHFFFAOYSA-N 1 0 496.660 2.790 20 0 JFADRO C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296229894 1064464029 /nfs/dbraw/zinc/46/40/29/1064464029.db2.gz DCECILKAANSXGX-CVEARBPZSA-N 1 0 457.687 2.868 20 0 JFADRO Cc1nnc(Cn2nnc(C(=O)N[C@H](c3ccc(F)c(F)c3)C(C)(C)[NH+]3CCCC3)c2C)o1 ZINC001296229999 1064464067 /nfs/dbraw/zinc/46/40/67/1064464067.db2.gz RHXLWBXPZFXXKZ-HXUWFJFHSA-N 1 0 459.501 2.950 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864428 1064476650 /nfs/dbraw/zinc/47/66/50/1064476650.db2.gz UIRXTGAPRVCONG-XUZZJYLKSA-N 1 0 481.689 2.808 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001296241241 1064494798 /nfs/dbraw/zinc/49/47/98/1064494798.db2.gz FWJJRDZBIWNQLM-OYRHEFFESA-N 1 0 461.699 2.634 20 0 JFADRO CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291882636 1064504132 /nfs/dbraw/zinc/50/41/32/1064504132.db2.gz VJOQEDIAGCUMAY-DNQXCXABSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001291881930 1064504280 /nfs/dbraw/zinc/50/42/80/1064504280.db2.gz ZGYAAYZTYBXINY-GGAORHGYSA-N 1 0 481.689 2.938 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCCC[NH+]1CCOCC1)c1ccccc1 ZINC001291888332 1064511163 /nfs/dbraw/zinc/51/11/63/1064511163.db2.gz RIPIXIQRUWZVEE-URXFXBBRSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1CCCC[NH+]1CCOCC1)c1ccccc1 ZINC001291888331 1064511215 /nfs/dbraw/zinc/51/12/15/1064511215.db2.gz RIPIXIQRUWZVEE-QPPBQGQZSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889177 1064514178 /nfs/dbraw/zinc/51/41/78/1064514178.db2.gz ZQTANGYXGGDGAK-LADGPHEKSA-N 1 0 497.688 2.982 20 0 JFADRO CC[C@H](Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)COC)CC1)[NH+]1CCCC1 ZINC001291889662 1064514493 /nfs/dbraw/zinc/51/44/93/1064514493.db2.gz UEGXOSIJZFQBQP-DHIUTWEWSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001291890159 1064515413 /nfs/dbraw/zinc/51/54/13/1064515413.db2.gz BACHBDDYNNSDNV-UPVQGACJSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC001291890158 1064515551 /nfs/dbraw/zinc/51/55/51/1064515551.db2.gz BACHBDDYNNSDNV-LADGPHEKSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCS(C)(=O)=O)c1ccccc1 ZINC001291890244 1064515912 /nfs/dbraw/zinc/51/59/12/1064515912.db2.gz WTNIKLMPRCLXRK-GGAORHGYSA-N 1 0 489.686 2.803 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291890664 1064516230 /nfs/dbraw/zinc/51/62/30/1064516230.db2.gz CNUPSSGUVOSTRS-VWNXMTODSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291890671 1064516295 /nfs/dbraw/zinc/51/62/95/1064516295.db2.gz CQZNIMVUFKPWKB-JOCHJYFZSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@H](c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001291891288 1064517047 /nfs/dbraw/zinc/51/70/47/1064517047.db2.gz FCGIUYFUNYEGMJ-CTNGQTDRSA-N 1 0 476.629 2.591 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001291891254 1064517123 /nfs/dbraw/zinc/51/71/23/1064517123.db2.gz DTDVVUGUSPBOPW-SIKLNZKXSA-N 1 0 494.644 2.827 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892512 1064519124 /nfs/dbraw/zinc/51/91/24/1064519124.db2.gz GCBRNVCUWKSCBB-NQIIRXRSSA-N 1 0 452.607 2.646 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892514 1064519648 /nfs/dbraw/zinc/51/96/48/1064519648.db2.gz GCBRNVCUWKSCBB-WIYYLYMNSA-N 1 0 452.607 2.646 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CCOC)CC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291892726 1064519999 /nfs/dbraw/zinc/51/99/99/1064519999.db2.gz HHXMNIZSJVLPLR-QHCPKHFHSA-N 1 0 470.662 2.699 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001291894435 1064523891 /nfs/dbraw/zinc/52/38/91/1064523891.db2.gz PZVMSXDSCYQIOC-FYYLOGMGSA-N 1 0 468.646 2.893 20 0 JFADRO CC[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001291894438 1064524130 /nfs/dbraw/zinc/52/41/30/1064524130.db2.gz PZVMSXDSCYQIOC-JTHBVZDNSA-N 1 0 468.646 2.893 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001291894750 1064524776 /nfs/dbraw/zinc/52/47/76/1064524776.db2.gz YWLNBPSPZJUOJW-XMMPIXPASA-N 1 0 481.689 2.953 20 0 JFADRO O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001296268661 1064535653 /nfs/dbraw/zinc/53/56/53/1064535653.db2.gz PGUOPFKBRRZJEE-IBGZPJMESA-N 1 0 457.987 2.770 20 0 JFADRO CCNC(=O)C1(Cn2c(COCC)nnc2N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC001296268928 1064536081 /nfs/dbraw/zinc/53/60/81/1064536081.db2.gz XRHVWCRQLFWDBQ-HXUWFJFHSA-N 1 0 454.619 2.832 20 0 JFADRO C[C@@H](CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)[NH+]1CCCCC1 ZINC001296275500 1064545795 /nfs/dbraw/zinc/54/57/95/1064545795.db2.gz XFKOTSFJDDADDZ-HNNXBMFYSA-N 1 0 453.513 2.740 20 0 JFADRO CCC(CC)(Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)SC ZINC001291930766 1064548494 /nfs/dbraw/zinc/54/84/94/1064548494.db2.gz CADJQAMAMHPLMD-WOJBJXKFSA-N 1 0 478.707 2.837 20 0 JFADRO CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001296279769 1064549617 /nfs/dbraw/zinc/54/96/17/1064549617.db2.gz GXWGBSGIDRTBSV-QFIPXVFZSA-N 1 0 459.612 2.602 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279793 1064550122 /nfs/dbraw/zinc/55/01/22/1064550122.db2.gz HJKOTQFNUCEAKS-ZEQRLZLVSA-N 1 0 451.567 2.918 20 0 JFADRO CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)SC ZINC001291933270 1064551994 /nfs/dbraw/zinc/55/19/94/1064551994.db2.gz GFFJFFHQHOWGPM-OAQYLSRUSA-N 1 0 485.702 2.929 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC001296282922 1064554334 /nfs/dbraw/zinc/55/43/34/1064554334.db2.gz SFYYDZRGEBEHPJ-FQEVSTJZSA-N 1 0 468.646 2.964 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001296287736 1064559932 /nfs/dbraw/zinc/55/99/32/1064559932.db2.gz WBVJRMFQYKCZOZ-IRLDBZIGSA-N 1 0 455.651 2.661 20 0 JFADRO CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291946200 1064560357 /nfs/dbraw/zinc/56/03/57/1064560357.db2.gz SPXAHPHLWZALDI-FCEUIQTBSA-N 1 0 453.587 2.566 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC001291950503 1064561252 /nfs/dbraw/zinc/56/12/52/1064561252.db2.gz AEPVSIAGOLNPCA-BNDYYXHWSA-N 1 0 484.711 2.650 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1)[NH+](C)C ZINC001291950941 1064562501 /nfs/dbraw/zinc/56/25/01/1064562501.db2.gz BFVGBOHEBLJFCD-CTNGQTDRSA-N 1 0 463.648 2.940 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+]1CCOCC1 ZINC001291951563 1064563279 /nfs/dbraw/zinc/56/32/79/1064563279.db2.gz GQBXBEVSAVRFMU-AZUAARDMSA-N 1 0 450.628 2.815 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001291951287 1064563338 /nfs/dbraw/zinc/56/33/38/1064563338.db2.gz CDEKGXDNWDNDCK-KRWDZBQOSA-N 1 0 466.428 2.728 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1)[NH+](C)C ZINC001291954368 1064567532 /nfs/dbraw/zinc/56/75/32/1064567532.db2.gz UBJLEMRHZLXLRV-OAQYLSRUSA-N 1 0 484.649 2.739 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC001296293123 1064568461 /nfs/dbraw/zinc/56/84/61/1064568461.db2.gz GJJCQEMONQKIJM-XMMPIXPASA-N 1 0 495.716 2.689 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001291954885 1064568804 /nfs/dbraw/zinc/56/88/04/1064568804.db2.gz SFWRQMFFMLCUGL-VGOFRKELSA-N 1 0 472.634 2.996 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+](C)C ZINC001291954886 1064568819 /nfs/dbraw/zinc/56/88/19/1064568819.db2.gz SFWRQMFFMLCUGL-VGSWGCGISA-N 1 0 472.634 2.996 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC001291955084 1064569191 /nfs/dbraw/zinc/56/91/91/1064569191.db2.gz XDDCMZWLADICIJ-QHCPKHFHSA-N 1 0 460.667 2.952 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001291955330 1064569602 /nfs/dbraw/zinc/56/96/02/1064569602.db2.gz YLSASBDHXGSNMK-FQEVSTJZSA-N 1 0 485.633 2.678 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001291955357 1064569663 /nfs/dbraw/zinc/56/96/63/1064569663.db2.gz UVZKSXSFGGXDCR-SFTDATJTSA-N 1 0 499.660 2.885 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)[NH+](C)C ZINC001291955394 1064569711 /nfs/dbraw/zinc/56/97/11/1064569711.db2.gz UYKMONVZYHRZTK-PMACEKPBSA-N 1 0 478.041 2.701 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955682 1064570505 /nfs/dbraw/zinc/57/05/05/1064570505.db2.gz ZSNKDISJYVDZJS-IRLDBZIGSA-N 1 0 461.699 2.901 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001296295839 1064572131 /nfs/dbraw/zinc/57/21/31/1064572131.db2.gz VVRZKTCENDFYKH-NRFANRHFSA-N 1 0 473.641 2.567 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291962200 1064575524 /nfs/dbraw/zinc/57/55/24/1064575524.db2.gz ABSAIWLCPBVNID-LEWJYISDSA-N 1 0 456.639 2.713 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001291962914 1064576329 /nfs/dbraw/zinc/57/63/29/1064576329.db2.gz QSPWJZIIBMXBCW-HXUWFJFHSA-N 1 0 466.627 2.532 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1)[NH+](C)C ZINC001291963901 1064577218 /nfs/dbraw/zinc/57/72/18/1064577218.db2.gz KWWIHSZLVLCDQA-ICSRJNTNSA-N 1 0 477.679 2.830 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291963682 1064577245 /nfs/dbraw/zinc/57/72/45/1064577245.db2.gz DDVHHHJIQXQMCR-VVMIZEJSSA-N 1 0 489.665 2.699 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C)[NH+]1CCOCC1 ZINC001291963950 1064577612 /nfs/dbraw/zinc/57/76/12/1064577612.db2.gz LKDAVRPGCCSROZ-QHCPKHFHSA-N 1 0 483.665 2.802 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001291965776 1064578493 /nfs/dbraw/zinc/57/84/93/1064578493.db2.gz IMKZKXYJAGMSSE-RLLQIKCJSA-N 1 0 472.638 2.746 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001291965849 1064578897 /nfs/dbraw/zinc/57/88/97/1064578897.db2.gz JBFLGUPTQRULQH-LEWJYISDSA-N 1 0 491.681 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[C@H](C(=O)OC)C1)[NH+](C)C ZINC001291965800 1064578962 /nfs/dbraw/zinc/57/89/62/1064578962.db2.gz IQTHXODTRYVWGC-PXNSSMCTSA-N 1 0 481.601 2.960 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCOCC1 ZINC001291966117 1064579310 /nfs/dbraw/zinc/57/93/10/1064579310.db2.gz UJTRYRIHMBKFSD-VXKWHMMOSA-N 1 0 469.634 2.500 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291966282 1064579785 /nfs/dbraw/zinc/57/97/85/1064579785.db2.gz JZWGWBHZIZVIBE-UXHICEINSA-N 1 0 476.666 2.760 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001291966969 1064581539 /nfs/dbraw/zinc/58/15/39/1064581539.db2.gz LTHDXTYBSZPFEZ-MOPGFXCFSA-N 1 0 474.679 2.769 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001291966907 1064581573 /nfs/dbraw/zinc/58/15/73/1064581573.db2.gz ZFRYYBLFJMBMIK-NRFANRHFSA-N 1 0 456.639 2.796 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001291967350 1064582290 /nfs/dbraw/zinc/58/22/90/1064582290.db2.gz ICIWMEBVBMMTGY-ZWKOTPCHSA-N 1 0 457.710 2.878 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1)[NH+]1CCOCC1 ZINC001291967671 1064582879 /nfs/dbraw/zinc/58/28/79/1064582879.db2.gz QGNLESKUPMDASD-QTJGBDASSA-N 1 0 490.693 2.662 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001296303812 1064583937 /nfs/dbraw/zinc/58/39/37/1064583937.db2.gz YMMICICOSZXVLF-LJQANCHMSA-N 1 0 490.052 2.951 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1)[NH+](C)C ZINC001291968507 1064584485 /nfs/dbraw/zinc/58/44/85/1064584485.db2.gz QAYSGABNLDONIS-RBUKOAKNSA-N 1 0 490.678 2.855 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCOCC[NH+](C)C)CC1 ZINC001296306179 1064584646 /nfs/dbraw/zinc/58/46/46/1064584646.db2.gz GLTFMGUZSWYERM-UHFFFAOYSA-N 1 0 489.690 2.705 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291969069 1064585120 /nfs/dbraw/zinc/58/51/20/1064585120.db2.gz YCYXCUHOGXYHNW-UFYCRDLUSA-N 1 0 455.669 2.552 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001291969520 1064585149 /nfs/dbraw/zinc/58/51/49/1064585149.db2.gz WLUAZPCNISQRDR-LQBOVUBWSA-N 1 0 470.618 2.824 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291972525 1064586747 /nfs/dbraw/zinc/58/67/47/1064586747.db2.gz BEHQDCYFUAXXSQ-VQTJNVASSA-N 1 0 491.681 2.870 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291972813 1064587216 /nfs/dbraw/zinc/58/72/16/1064587216.db2.gz DAPSWYQQVISNLU-NHCUHLMSSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+](C)C ZINC001291973034 1064587493 /nfs/dbraw/zinc/58/74/93/1064587493.db2.gz DVIQETLGVMJRLY-JOCHJYFZSA-N 1 0 482.677 2.791 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291973330 1064587836 /nfs/dbraw/zinc/58/78/36/1064587836.db2.gz GLSKCGDUMGAGQC-RBUKOAKNSA-N 1 0 453.678 2.920 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291973646 1064588377 /nfs/dbraw/zinc/58/83/77/1064588377.db2.gz IMTTXWFHSCCFCY-RTWAWAEBSA-N 1 0 468.606 2.900 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296307791 1064588573 /nfs/dbraw/zinc/58/85/73/1064588573.db2.gz ONXRXVCZWLODFQ-LJQANCHMSA-N 1 0 485.633 2.546 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001291974298 1064588915 /nfs/dbraw/zinc/58/89/15/1064588915.db2.gz LSQYDRNQSAPVSM-QFIPXVFZSA-N 1 0 472.682 2.811 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001291975467 1064590099 /nfs/dbraw/zinc/59/00/99/1064590099.db2.gz UGYTXLQXYLUPIE-OZXSUGGESA-N 1 0 486.709 2.807 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001291975466 1064590212 /nfs/dbraw/zinc/59/02/12/1064590212.db2.gz UGYTXLQXYLUPIE-JYFHCDHNSA-N 1 0 486.709 2.807 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291975789 1064591184 /nfs/dbraw/zinc/59/11/84/1064591184.db2.gz ZHGDHHVJKHKLPM-LEWJYISDSA-N 1 0 487.674 2.506 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1)[NH+](C)C ZINC001291975768 1064591242 /nfs/dbraw/zinc/59/12/42/1064591242.db2.gz YRIJVXGMKYMKDW-YGOYIFOWSA-N 1 0 473.710 2.586 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291975728 1064591273 /nfs/dbraw/zinc/59/12/73/1064591273.db2.gz YCMLWKQZQWPRGE-OFVILXPXSA-N 1 0 476.666 2.543 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001296312132 1064592011 /nfs/dbraw/zinc/59/20/11/1064592011.db2.gz XFOODRNDCYQDGO-OAQYLSRUSA-N 1 0 454.623 2.620 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296312273 1064592560 /nfs/dbraw/zinc/59/25/60/1064592560.db2.gz XAPHMUOFTSOFJD-WOJBJXKFSA-N 1 0 499.660 2.693 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2C[C@@H](C)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977894 1064593560 /nfs/dbraw/zinc/59/35/60/1064593560.db2.gz KNIXVAKNGWLUKY-MZYLBHOOSA-N 1 0 476.710 2.870 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001296315674 1064595121 /nfs/dbraw/zinc/59/51/21/1064595121.db2.gz GVKSQYFMIXNQGH-HSZRJFAPSA-N 1 0 492.093 2.811 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001296316259 1064596714 /nfs/dbraw/zinc/59/67/14/1064596714.db2.gz RBTYCCSWWNOLIU-HXUWFJFHSA-N 1 0 487.555 2.895 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001296317429 1064599884 /nfs/dbraw/zinc/59/98/84/1064599884.db2.gz OQJOKCTYQWXZEM-JOCHJYFZSA-N 1 0 480.592 2.557 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001296319410 1064602543 /nfs/dbraw/zinc/60/25/43/1064602543.db2.gz KQHVRCXDFPCQGU-UHFFFAOYSA-N 1 0 457.623 2.605 20 0 JFADRO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)cc2)C1 ZINC001296323493 1064605811 /nfs/dbraw/zinc/60/58/11/1064605811.db2.gz QPIYKXJWBDTZNO-HSALFYBXSA-N 1 0 451.633 2.584 20 0 JFADRO Cc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1S(=O)(=O)NCc1ccccc1 ZINC001296324089 1064606775 /nfs/dbraw/zinc/60/67/75/1064606775.db2.gz WEISLJAHSWAYAK-FQEVSTJZSA-N 1 0 459.612 2.704 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COCC)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC001296324233 1064608011 /nfs/dbraw/zinc/60/80/11/1064608011.db2.gz GVQSYUXDYNVTMO-QFIPXVFZSA-N 1 0 469.634 2.812 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001296324839 1064612759 /nfs/dbraw/zinc/61/27/59/1064612759.db2.gz QFXNHWNRSXNNPP-FQEVSTJZSA-N 1 0 475.613 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CC[NH+]1CCCC1 ZINC001291997552 1064614543 /nfs/dbraw/zinc/61/45/43/1064614543.db2.gz OXIOKAIPIXRWHX-UHFFFAOYSA-N 1 0 456.591 2.700 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001296325124 1064614620 /nfs/dbraw/zinc/61/46/20/1064614620.db2.gz SNNYDNLLYVZQLD-FQEVSTJZSA-N 1 0 487.624 2.968 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001296328284 1064622666 /nfs/dbraw/zinc/62/26/66/1064622666.db2.gz ANSGENIPBLQJDA-PKOBYXMFSA-N 1 0 496.081 2.632 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001296329731 1064628467 /nfs/dbraw/zinc/62/84/67/1064628467.db2.gz LURFLXIJNFGGMI-NHCUHLMSSA-N 1 0 499.685 2.988 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001292013122 1064638913 /nfs/dbraw/zinc/63/89/13/1064638913.db2.gz HZFSBXMPHNAKRD-HMXCVIKNSA-N 1 0 473.666 2.708 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001292016618 1064650105 /nfs/dbraw/zinc/65/01/05/1064650105.db2.gz HDBMIQKTLBRHMY-YYDVJCTNSA-N 1 0 468.646 2.904 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001292018729 1064654781 /nfs/dbraw/zinc/65/47/81/1064654781.db2.gz YIXOGHBBFFMDDC-ZTCOLXNVSA-N 1 0 497.688 2.656 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)n1CCNC(=O)c1ccccc1F ZINC001292020472 1064659561 /nfs/dbraw/zinc/65/95/61/1064659561.db2.gz HQSKIWUHQLYHIC-QZTJIDSGSA-N 1 0 487.624 2.685 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292020665 1064660910 /nfs/dbraw/zinc/66/09/10/1064660910.db2.gz HGJVXBAFRYBXRP-WERVVEIQSA-N 1 0 464.655 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](CC)O[C@@H](C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292020664 1064660984 /nfs/dbraw/zinc/66/09/84/1064660984.db2.gz HGJVXBAFRYBXRP-VNYTWHDVSA-N 1 0 464.655 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292025918 1064678277 /nfs/dbraw/zinc/67/82/77/1064678277.db2.gz XCHZBYUSIMDTRJ-MSOLQXFVSA-N 1 0 491.681 2.982 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001292028125 1064681631 /nfs/dbraw/zinc/68/16/31/1064681631.db2.gz WJYAGNYHJIGVBV-IBGZPJMESA-N 1 0 484.645 2.831 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCN(C)C(=O)OC(C)(C)C ZINC001292030036 1064686076 /nfs/dbraw/zinc/68/60/76/1064686076.db2.gz KKFJPMPWYKEWLK-PKOBYXMFSA-N 1 0 477.654 2.736 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001292035609 1064697607 /nfs/dbraw/zinc/69/76/07/1064697607.db2.gz HUJVAIFDHMYNNQ-BVZFJXPGSA-N 1 0 475.682 2.669 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001292040446 1064705173 /nfs/dbraw/zinc/70/51/73/1064705173.db2.gz DYJPHDURKNYAJL-HHHXNRCGSA-N 1 0 495.672 2.607 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001292041103 1064705997 /nfs/dbraw/zinc/70/59/97/1064705997.db2.gz JPANPYQEIDBLFL-AJTFRIOCSA-N 1 0 495.672 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](C)(C(=O)NC)C2)n1C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001292041104 1064706048 /nfs/dbraw/zinc/70/60/48/1064706048.db2.gz JPANPYQEIDBLFL-AMGIVPHBSA-N 1 0 495.672 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292043269 1064709356 /nfs/dbraw/zinc/70/93/56/1064709356.db2.gz FRWNNUWHKWPTBX-GHTZIAJQSA-N 1 0 478.682 2.947 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001292051362 1064716251 /nfs/dbraw/zinc/71/62/51/1064716251.db2.gz XGBVOKLEYARVPM-UQBPGWFLSA-N 1 0 454.619 2.565 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H]1CCCO1 ZINC001292055032 1064723214 /nfs/dbraw/zinc/72/32/14/1064723214.db2.gz FFGFIFNDIGWZIH-JQVVWYNYSA-N 1 0 476.666 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@H](C)c1nccs1 ZINC001292062919 1064734713 /nfs/dbraw/zinc/73/47/13/1064734713.db2.gz IPFBWBUPNFGKRS-AZUAARDMSA-N 1 0 488.706 2.673 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001292062995 1064735196 /nfs/dbraw/zinc/73/51/96/1064735196.db2.gz KGMBYSSXSOKXCK-MJGOQNOKSA-N 1 0 489.665 2.784 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001292063271 1064736343 /nfs/dbraw/zinc/73/63/43/1064736343.db2.gz QAZYDDIHZPIUKY-IBGZPJMESA-N 1 0 475.638 2.562 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@H]1CC1(C)C ZINC001292063672 1064737967 /nfs/dbraw/zinc/73/79/67/1064737967.db2.gz XKIBCBYLUYIWIQ-FPOVZHCZSA-N 1 0 459.683 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CC1([NH+](C)C)CCC1 ZINC001292065126 1064740817 /nfs/dbraw/zinc/74/08/17/1064740817.db2.gz CDHCUAHECNDRHR-VWLOTQADSA-N 1 0 472.609 2.918 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078155 1064760951 /nfs/dbraw/zinc/76/09/51/1064760951.db2.gz CMEQTIBBSVBKLT-WIYYLYMNSA-N 1 0 487.693 2.954 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)NC)C2)n1C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001292084886 1064766550 /nfs/dbraw/zinc/76/65/50/1064766550.db2.gz JPEDMOKZLCACFJ-KNQAVFIVSA-N 1 0 495.672 2.606 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292086104 1064768671 /nfs/dbraw/zinc/76/86/71/1064768671.db2.gz QFYYEKOSHKCGIQ-QGZVFWFLSA-N 1 0 469.625 2.704 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001292088983 1064772835 /nfs/dbraw/zinc/77/28/35/1064772835.db2.gz GXUWOMCPPSQRTR-PGRDOPGGSA-N 1 0 485.681 2.978 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001292089656 1064774363 /nfs/dbraw/zinc/77/43/63/1064774363.db2.gz LWXJFPXKPWCDIG-FQEVSTJZSA-N 1 0 494.706 2.619 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1Cc1ccc(N(C)C)nc1 ZINC001292090493 1064775108 /nfs/dbraw/zinc/77/51/08/1064775108.db2.gz PEPXAXSBUNBUHT-NRFANRHFSA-N 1 0 468.650 2.770 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292091366 1064778207 /nfs/dbraw/zinc/77/82/07/1064778207.db2.gz UPPVDNRYGKNXND-YADHBBJMSA-N 1 0 487.624 2.743 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292094235 1064783727 /nfs/dbraw/zinc/78/37/27/1064783727.db2.gz IXDKYHJOAGIRSE-QZTJIDSGSA-N 1 0 458.611 2.614 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292094958 1064785948 /nfs/dbraw/zinc/78/59/48/1064785948.db2.gz RNDRPJHKISZUJJ-SJLPKXTDSA-N 1 0 458.611 2.756 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292094956 1064786067 /nfs/dbraw/zinc/78/60/67/1064786067.db2.gz RNDRPJHKISZUJJ-AEFFLSMTSA-N 1 0 458.611 2.756 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292097507 1064788422 /nfs/dbraw/zinc/78/84/22/1064788422.db2.gz RVVJDVHDAOZEND-FGZHOGPDSA-N 1 0 486.665 2.628 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292097514 1064788840 /nfs/dbraw/zinc/78/88/40/1064788840.db2.gz RVVJDVHDAOZEND-YADHBBJMSA-N 1 0 486.665 2.628 20 0 JFADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292097929 1064789143 /nfs/dbraw/zinc/78/91/43/1064789143.db2.gz OBLWJFSYWBKBHT-GGPKGHCWSA-N 1 0 454.656 2.915 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cn2nc(Br)c(Br)n2)C1 ZINC001292098387 1064789166 /nfs/dbraw/zinc/78/91/66/1064789166.db2.gz QYNZYGSJHAOHNI-GHMZBOCLSA-N 1 0 451.207 2.676 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2CSC)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292099926 1064790399 /nfs/dbraw/zinc/79/03/99/1064790399.db2.gz FNDSSOQXSQNTDK-UTKZUKDTSA-N 1 0 454.710 2.966 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1Cc1cc(C)nn1C ZINC001292104025 1064795776 /nfs/dbraw/zinc/79/57/76/1064795776.db2.gz CAYUYBDCCHZZRY-UHFFFAOYSA-N 1 0 456.639 2.741 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(C(C)=O)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001292104206 1064796211 /nfs/dbraw/zinc/79/62/11/1064796211.db2.gz AZTAIQLHRDAMNS-UHFFFAOYSA-N 1 0 461.655 2.520 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292105505 1064799233 /nfs/dbraw/zinc/79/92/33/1064799233.db2.gz MAANNLFOJKFPDM-HXUWFJFHSA-N 1 0 486.640 2.932 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001292109745 1064808274 /nfs/dbraw/zinc/80/82/74/1064808274.db2.gz KYESCMUVDSINBC-GMAHTHKFSA-N 1 0 495.672 2.735 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@H]1CCC[N@@H+]1CC ZINC001292110530 1064814309 /nfs/dbraw/zinc/81/43/09/1064814309.db2.gz JWXZVGWFBLBECD-JOCHJYFZSA-N 1 0 499.635 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001292114436 1064828189 /nfs/dbraw/zinc/82/81/89/1064828189.db2.gz YRVPMISTPDTWSU-UHFFFAOYSA-N 1 0 492.713 2.945 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292114736 1064829993 /nfs/dbraw/zinc/82/99/93/1064829993.db2.gz HTUWXWGPGHRHOS-OTWHNJEPSA-N 1 0 475.682 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001292115897 1064835063 /nfs/dbraw/zinc/83/50/63/1064835063.db2.gz NDKHNVLYXJPGAU-NRFANRHFSA-N 1 0 468.650 2.793 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001292116191 1064836227 /nfs/dbraw/zinc/83/62/27/1064836227.db2.gz NZVIFTGGJLREBL-FQEVSTJZSA-N 1 0 483.661 2.961 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001292117783 1064845495 /nfs/dbraw/zinc/84/54/95/1064845495.db2.gz XTIBWVZIYZBILM-UHFFFAOYSA-N 1 0 457.623 2.957 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292118068 1064847986 /nfs/dbraw/zinc/84/79/86/1064847986.db2.gz VVNYMPHNPPOGCO-MRXNPFEDSA-N 1 0 463.577 2.751 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CC[N@@H+]1CCCC[C@@H]1CC ZINC001292122568 1064858270 /nfs/dbraw/zinc/85/82/70/1064858270.db2.gz UGYSCHFOXZORMA-QFIPXVFZSA-N 1 0 497.692 2.886 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001292122778 1064858774 /nfs/dbraw/zinc/85/87/74/1064858774.db2.gz WJGXTQLTRPTMLX-UHFFFAOYSA-N 1 0 485.681 2.518 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001292123950 1064863486 /nfs/dbraw/zinc/86/34/86/1064863486.db2.gz AERKAESKGJMERS-UHFFFAOYSA-N 1 0 499.635 2.830 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CC(F)(F)F ZINC001292125739 1064871042 /nfs/dbraw/zinc/87/10/42/1064871042.db2.gz FLXQKHJAXVDNCG-CALCHBBNSA-N 1 0 473.588 2.754 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292125757 1064871153 /nfs/dbraw/zinc/87/11/53/1064871153.db2.gz LMLNPHWUIHSJQT-UXHICEINSA-N 1 0 475.682 2.622 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC(C)C)CC2)n1Cc1ccnc(-n2cccn2)c1 ZINC001292125897 1064872313 /nfs/dbraw/zinc/87/23/13/1064872313.db2.gz WZLUDVMBGAOFMO-UHFFFAOYSA-N 1 0 479.633 2.604 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1C[C@@H]1C ZINC001292125923 1064872334 /nfs/dbraw/zinc/87/23/34/1064872334.db2.gz MZEZRCAPVNUCBD-VQTJNVASSA-N 1 0 459.683 2.847 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1Cc1ncccc1C ZINC001292125883 1064872347 /nfs/dbraw/zinc/87/23/47/1064872347.db2.gz MOPANPDMXLRRKK-IBGZPJMESA-N 1 0 469.634 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H]1CCO[C@@H]1C(C)C ZINC001292126871 1064877966 /nfs/dbraw/zinc/87/79/66/1064877966.db2.gz QWNGTXXSKBHOFK-FYYLOGMGSA-N 1 0 490.693 2.806 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1C[C@H]1CCCc2cccnc21 ZINC001292127047 1064879398 /nfs/dbraw/zinc/87/93/98/1064879398.db2.gz UIDJIKZVGGKEDR-PZJWPPBQSA-N 1 0 483.661 2.869 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(C)cc1 ZINC001292127086 1064879766 /nfs/dbraw/zinc/87/97/66/1064879766.db2.gz UZALAAKMAFMDPN-OAQYLSRUSA-N 1 0 454.619 2.712 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1sc(C)nc1C ZINC001292127109 1064880265 /nfs/dbraw/zinc/88/02/65/1064880265.db2.gz WBYBPJPZFXGPLQ-UHFFFAOYSA-N 1 0 489.690 2.867 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1nccn1C(F)F ZINC001292127164 1064880946 /nfs/dbraw/zinc/88/09/46/1064880946.db2.gz YQWSPXNUECPRGP-UHFFFAOYSA-N 1 0 464.565 2.901 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001292132357 1064885213 /nfs/dbraw/zinc/88/52/13/1064885213.db2.gz FROFMLRGCTUBBJ-NQIIRXRSSA-N 1 0 496.660 2.540 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001292133572 1064888790 /nfs/dbraw/zinc/88/87/90/1064888790.db2.gz IGQGGWUYRAPAAD-LEWJYISDSA-N 1 0 469.634 2.523 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001292133573 1064888817 /nfs/dbraw/zinc/88/88/17/1064888817.db2.gz IGQGGWUYRAPAAD-NHCUHLMSSA-N 1 0 469.634 2.523 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC(=O)Nc1ccccc1 ZINC001292134036 1064890660 /nfs/dbraw/zinc/89/06/60/1064890660.db2.gz OOMFTNZMEWIZQF-NRFANRHFSA-N 1 0 467.618 2.900 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292134695 1064895352 /nfs/dbraw/zinc/89/53/52/1064895352.db2.gz VBPYQBBRHNXHCA-WSTZPKSXSA-N 1 0 489.665 2.594 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001292143841 1064913425 /nfs/dbraw/zinc/91/34/25/1064913425.db2.gz IMVFJZGCZDGTIW-PXNSSMCTSA-N 1 0 488.637 2.588 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001292144459 1064914806 /nfs/dbraw/zinc/91/48/06/1064914806.db2.gz MLKGPJLKQIZJQS-OAQYLSRUSA-N 1 0 486.665 2.563 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292144951 1064917723 /nfs/dbraw/zinc/91/77/23/1064917723.db2.gz RHLTWWXFIBYKPR-IEBWSBKVSA-N 1 0 488.637 2.623 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292144953 1064917762 /nfs/dbraw/zinc/91/77/62/1064917762.db2.gz RHLTWWXFIBYKPR-MJGOQNOKSA-N 1 0 488.637 2.623 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](CC)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292146551 1064924178 /nfs/dbraw/zinc/92/41/78/1064924178.db2.gz CWYZXKLFMLDEJF-IBGZPJMESA-N 1 0 465.712 2.554 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001292147077 1064925129 /nfs/dbraw/zinc/92/51/29/1064925129.db2.gz JODDBCWGBXVJSV-IRXDYDNUSA-N 1 0 452.669 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001292147075 1064925138 /nfs/dbraw/zinc/92/51/38/1064925138.db2.gz JODDBCWGBXVJSV-DLBZAZTESA-N 1 0 452.669 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCSCC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001292150436 1064927770 /nfs/dbraw/zinc/92/77/70/1064927770.db2.gz BMFSELVTWIYCIN-UHFFFAOYSA-N 1 0 452.669 2.639 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292151285 1064929237 /nfs/dbraw/zinc/92/92/37/1064929237.db2.gz JTOOXKPPBDSQGG-BWAGFHJFSA-N 1 0 499.635 2.696 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3[C@H](OC)CC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292154621 1064935696 /nfs/dbraw/zinc/93/56/96/1064935696.db2.gz IHKPVZQKTGITRI-QTTNWMCISA-N 1 0 476.666 2.557 20 0 JFADRO CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)C1(C)C ZINC001292156129 1064937551 /nfs/dbraw/zinc/93/75/51/1064937551.db2.gz SPTJSRMTVXMTOC-IECBHUPTSA-N 1 0 453.624 2.798 20 0 JFADRO O=C(c1ccc(=O)n(CCOc2ccccc2Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC001292156931 1064938261 /nfs/dbraw/zinc/93/82/61/1064938261.db2.gz WLHPLECQGDZVQE-FQEVSTJZSA-N 1 0 459.974 2.908 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)[NH+]1CCCC1 ZINC001292162190 1064946963 /nfs/dbraw/zinc/94/69/63/1064946963.db2.gz IGOLRJKQBGSLDH-SFTDATJTSA-N 1 0 456.639 2.946 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](C)(C(=O)NC)C1)[NH+]1CCCC1 ZINC001292173446 1064962134 /nfs/dbraw/zinc/96/21/34/1064962134.db2.gz HCQMAXRXZDLDKX-VGSWGCGISA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292173920 1064963123 /nfs/dbraw/zinc/96/31/23/1064963123.db2.gz KBUKZUORSNEEMG-SFHVURJKSA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@@H](Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292174858 1064964566 /nfs/dbraw/zinc/96/45/66/1064964566.db2.gz ZKNCGOAGUOYKBS-HROGELHOSA-N 1 0 489.592 2.792 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001292176172 1064966357 /nfs/dbraw/zinc/96/63/57/1064966357.db2.gz WZGAUOSBLHQBCI-WAOWUJCRSA-N 1 0 460.648 2.714 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001292184944 1064976571 /nfs/dbraw/zinc/97/65/71/1064976571.db2.gz HYQMKUZDTCVDEO-NRFANRHFSA-N 1 0 474.053 2.683 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001292187092 1064979289 /nfs/dbraw/zinc/97/92/89/1064979289.db2.gz ZACYAMAVDJYZTE-KRWDZBQOSA-N 1 0 461.408 2.827 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292192827 1064984867 /nfs/dbraw/zinc/98/48/67/1064984867.db2.gz NOJHOSQZXUBNHD-PMACEKPBSA-N 1 0 461.632 2.842 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001292194742 1064986735 /nfs/dbraw/zinc/98/67/35/1064986735.db2.gz DHZPESQIDLZWPY-QFBILLFUSA-N 1 0 491.434 2.533 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001292195357 1064987355 /nfs/dbraw/zinc/98/73/55/1064987355.db2.gz HNRLFXQOFKPMIK-SFHVURJKSA-N 1 0 461.010 2.768 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCCC1 ZINC001292198092 1064990188 /nfs/dbraw/zinc/99/01/88/1064990188.db2.gz JOKFKVGLIZGVCR-FQEVSTJZSA-N 1 0 471.625 2.605 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292200115 1064991506 /nfs/dbraw/zinc/99/15/06/1064991506.db2.gz QTYWMEANOFSYRM-MBOZVWFJSA-N 1 0 461.994 2.833 20 0 JFADRO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+]1CCCC1 ZINC001292207235 1064995308 /nfs/dbraw/zinc/99/53/08/1064995308.db2.gz JNZARMFUAJCXIQ-FQEVSTJZSA-N 1 0 470.622 2.914 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292209019 1064999061 /nfs/dbraw/zinc/99/90/61/1064999061.db2.gz HIXJKULWMPDQRL-WTGUMLROSA-N 1 0 489.665 2.843 20 0 JFADRO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccs1)[NH+]1CCCC1 ZINC001292223859 1065010757 /nfs/dbraw/zinc/01/07/57/1065010757.db2.gz LPTWMCIZXJGYPJ-IPMKNSEASA-N 1 0 496.703 2.744 20 0 JFADRO CC[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001292232063 1065018745 /nfs/dbraw/zinc/01/87/45/1065018745.db2.gz YFPQQPFQLVQTNB-XMMPIXPASA-N 1 0 495.716 2.914 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292236870 1065020858 /nfs/dbraw/zinc/02/08/58/1065020858.db2.gz QOEZQXPAJXEFDU-LEWJYISDSA-N 1 0 475.659 2.765 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001292236871 1065020949 /nfs/dbraw/zinc/02/09/49/1065020949.db2.gz QOEZQXPAJXEFDU-NHCUHLMSSA-N 1 0 475.659 2.765 20 0 JFADRO CC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OC ZINC001292249752 1065033144 /nfs/dbraw/zinc/03/31/44/1065033144.db2.gz YWFGGMQBPNGFRV-HSZRJFAPSA-N 1 0 472.682 2.560 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC001292253743 1065035902 /nfs/dbraw/zinc/03/59/02/1065035902.db2.gz BQQFAFCLCSRVOS-FPOVZHCZSA-N 1 0 461.582 2.970 20 0 JFADRO CC[C@H](Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292254281 1065036884 /nfs/dbraw/zinc/03/68/84/1065036884.db2.gz AUKKBIRBLJDRTF-QPPBQGQZSA-N 1 0 459.639 2.871 20 0 JFADRO CC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292255408 1065037935 /nfs/dbraw/zinc/03/79/35/1065037935.db2.gz NHIBJNBJBXQUMI-HAGHYFMRSA-N 1 0 489.665 2.625 20 0 JFADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001292255406 1065037962 /nfs/dbraw/zinc/03/79/62/1065037962.db2.gz NEEHTZFQZXJCRX-YSTOQKLRSA-N 1 0 489.665 2.590 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)OC ZINC001292262813 1065041923 /nfs/dbraw/zinc/04/19/23/1065041923.db2.gz SNBSMBJOELIANL-TUNNFDKTSA-N 1 0 478.682 2.612 20 0 JFADRO CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001292265806 1065045563 /nfs/dbraw/zinc/04/55/63/1065045563.db2.gz CZSXVXVWCWSFAN-PMACEKPBSA-N 1 0 484.711 2.532 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001292271649 1065048902 /nfs/dbraw/zinc/04/89/02/1065048902.db2.gz GEXDNRIIHPQTRR-HKUYNNGSSA-N 1 0 461.632 2.573 20 0 JFADRO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292275707 1065052401 /nfs/dbraw/zinc/05/24/01/1065052401.db2.gz UYTKTIFDKPHVCZ-NRFANRHFSA-N 1 0 474.650 2.629 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001292277467 1065054112 /nfs/dbraw/zinc/05/41/12/1065054112.db2.gz UIJGWVUVUIEYNB-UHFFFAOYSA-N 1 0 459.639 2.559 20 0 JFADRO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001292289762 1065061621 /nfs/dbraw/zinc/06/16/21/1065061621.db2.gz OLBRBRKYTWNIKT-DHLKQENFSA-N 1 0 496.700 2.993 20 0 JFADRO CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001292339562 1065090633 /nfs/dbraw/zinc/09/06/33/1065090633.db2.gz MLZFEPOYTXZVAT-BWKNWUBXSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001292339563 1065090692 /nfs/dbraw/zinc/09/06/92/1065090692.db2.gz MLZFEPOYTXZVAT-OFVILXPXSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCC[NH+](C)C)CCO1 ZINC001292343283 1065091984 /nfs/dbraw/zinc/09/19/84/1065091984.db2.gz JXPURXFOLACHFI-SANMLTNESA-N 1 0 493.612 2.919 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292352899 1065097315 /nfs/dbraw/zinc/09/73/15/1065097315.db2.gz HCYILSWYDNMRTC-NTKDMRAZSA-N 1 0 490.052 2.942 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292353534 1065097979 /nfs/dbraw/zinc/09/79/79/1065097979.db2.gz KUSCOEAYVPSCEF-NTKDMRAZSA-N 1 0 458.607 2.795 20 0 JFADRO CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001292364699 1065105649 /nfs/dbraw/zinc/10/56/49/1065105649.db2.gz LTJLTDYMRMPMJJ-NZQKXSOJSA-N 1 0 462.664 2.876 20 0 JFADRO CCC1(CC)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CCS1 ZINC001292398273 1065137143 /nfs/dbraw/zinc/13/71/43/1065137143.db2.gz CPJSHTDWFQMCPW-QGZVFWFLSA-N 1 0 455.694 2.777 20 0 JFADRO CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C3CCCC3)CC2)CCOCC1 ZINC001292415277 1065149187 /nfs/dbraw/zinc/14/91/87/1065149187.db2.gz XMVNYINKRMDCOU-IBGZPJMESA-N 1 0 482.695 2.550 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C)[C@@H](OC)C2)[NH+](C)C)cc1 ZINC001292455928 1065176639 /nfs/dbraw/zinc/17/66/39/1065176639.db2.gz AWHGEEDREZNOLE-MQGJPIDWSA-N 1 0 454.619 2.956 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N(C)C)CC2)[NH+](C)C)cc1 ZINC001292456561 1065177878 /nfs/dbraw/zinc/17/78/78/1065177878.db2.gz FOZANQRQVAKFLS-HSZRJFAPSA-N 1 0 493.656 2.922 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)C2)[NH+](C)C)cc1 ZINC001292457248 1065179139 /nfs/dbraw/zinc/17/91/39/1065179139.db2.gz JGLSTMUDRMIFOY-IBGZPJMESA-N 1 0 486.418 2.837 20 0 JFADRO CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3noc(C)n3)C2)[NH+](C)C)cc1 ZINC001292457711 1065180176 /nfs/dbraw/zinc/18/01/76/1065180176.db2.gz LIDNAGWRRDLYDX-NHCUHLMSSA-N 1 0 496.616 2.551 20 0 JFADRO CCc1ccc([C@H](Cn2c(N3C[C@@H](CC(=O)OC)[C@H](O)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001292458727 1065183048 /nfs/dbraw/zinc/18/30/48/1065183048.db2.gz BAHIEYVRAJWADJ-QHAWAJNXSA-N 1 0 457.619 2.801 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC001292459505 1065184857 /nfs/dbraw/zinc/18/48/57/1065184857.db2.gz XPROWKQKISLWJC-FQEVSTJZSA-N 1 0 468.646 2.971 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292459708 1065185464 /nfs/dbraw/zinc/18/54/64/1065185464.db2.gz FPVBFVTYOMUDDI-QFIPXVFZSA-N 1 0 494.644 2.763 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292460537 1065188442 /nfs/dbraw/zinc/18/84/42/1065188442.db2.gz IHBQDVFWEBPPBP-BHIFYINESA-N 1 0 454.619 2.957 20 0 JFADRO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292461524 1065190288 /nfs/dbraw/zinc/19/02/88/1065190288.db2.gz OOFKXWZAHAZYHS-JOCHJYFZSA-N 1 0 476.629 2.526 20 0 JFADRO CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)[NH+](C)C)cc1 ZINC001292461019 1065190387 /nfs/dbraw/zinc/19/03/87/1065190387.db2.gz KYWUVFUYPHTCDP-XMMPIXPASA-N 1 0 497.688 2.916 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C3CCN(S(C)(=O)=O)CC3)n2CC2([NH+](C)C)CCC2)cc1 ZINC001292461759 1065191013 /nfs/dbraw/zinc/19/10/13/1065191013.db2.gz SQWFRLZTOMVIAI-UHFFFAOYSA-N 1 0 474.675 2.852 20 0 JFADRO CCc1ccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292477567 1065201431 /nfs/dbraw/zinc/20/14/31/1065201431.db2.gz ALQQGORXSNGWHC-UHFFFAOYSA-N 1 0 489.686 2.756 20 0 JFADRO CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC001292478650 1065202733 /nfs/dbraw/zinc/20/27/33/1065202733.db2.gz IHGLQABMMOPCJI-UXHICEINSA-N 1 0 454.619 2.675 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001292486293 1065207868 /nfs/dbraw/zinc/20/78/68/1065207868.db2.gz YHTWRLGHSKFPDO-CCLHPLFOSA-N 1 0 482.673 2.951 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C(=O)N[C@H](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001292486296 1065207890 /nfs/dbraw/zinc/20/78/90/1065207890.db2.gz YHTWRLGHSKFPDO-NFQMXDRXSA-N 1 0 482.673 2.951 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001292488606 1065210212 /nfs/dbraw/zinc/21/02/12/1065210212.db2.gz OVBWQRLOJPXAQI-PKTZIBPZSA-N 1 0 468.646 2.956 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001292496333 1065214601 /nfs/dbraw/zinc/21/46/01/1065214601.db2.gz HPGYXBSBMVTDBZ-LJQANCHMSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC001292496715 1065215455 /nfs/dbraw/zinc/21/54/55/1065215455.db2.gz AOLVUQQIOGXYHV-IBGZPJMESA-N 1 0 474.675 2.757 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CCCNC(C)=O)cc1 ZINC001292497236 1065215892 /nfs/dbraw/zinc/21/58/92/1065215892.db2.gz BOIUFIIGWBENEV-UHFFFAOYSA-N 1 0 454.619 2.582 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H](C2CC2)[NH+](C)C)cc1 ZINC001292507550 1065225379 /nfs/dbraw/zinc/22/53/79/1065225379.db2.gz KAPBBQNXPNQMLI-DENIHFKCSA-N 1 0 474.675 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001292509673 1065228027 /nfs/dbraw/zinc/22/80/27/1065228027.db2.gz UWQFBNOOZCPZDZ-UYAOXDASSA-N 1 0 462.664 2.565 20 0 JFADRO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCCC[NH+]2CCN(CC)CC2)cc1 ZINC001292512237 1065229671 /nfs/dbraw/zinc/22/96/71/1065229671.db2.gz FMVPYIDDYDNQHC-UHFFFAOYSA-N 1 0 481.689 2.984 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CC[N@H+](C)C2CCCC2)cc1 ZINC001292512553 1065230690 /nfs/dbraw/zinc/23/06/90/1065230690.db2.gz PTFZZBLILUNOMJ-UHFFFAOYSA-N 1 0 495.672 2.555 20 0 JFADRO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001292512972 1065231726 /nfs/dbraw/zinc/23/17/26/1065231726.db2.gz YWXBLSAGIYDASM-QHCPKHFHSA-N 1 0 495.672 2.509 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2CCC(=O)NC(C)(C)C)cc1 ZINC001292513688 1065233829 /nfs/dbraw/zinc/23/38/29/1065233829.db2.gz KUGUHEFCJITCOW-UHFFFAOYSA-N 1 0 495.672 2.557 20 0 JFADRO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)cc1C ZINC001292514084 1065235015 /nfs/dbraw/zinc/23/50/15/1065235015.db2.gz DCBFHLQVZPYJIH-GOTSBHOMSA-N 1 0 457.596 2.775 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@@H]2CCCO2)cc1 ZINC001292514594 1065236020 /nfs/dbraw/zinc/23/60/20/1065236020.db2.gz UUSWOHLFYOULSR-QFIPXVFZSA-N 1 0 454.619 2.677 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(c4ccnc(C)n4)CC3)n2CCOCC[NH+](C)C)cc1 ZINC001292517377 1065238493 /nfs/dbraw/zinc/23/84/93/1065238493.db2.gz ADLXWQASYWLOJM-UHFFFAOYSA-N 1 0 464.618 2.511 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C4CCCC4)CC3)n2CCOCCS(C)(=O)=O)cc1 ZINC001292517606 1065239292 /nfs/dbraw/zinc/23/92/92/1065239292.db2.gz FJRBNMRNXQFFDK-UHFFFAOYSA-N 1 0 475.659 2.633 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N(CC)CC)CC3)n2C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC001292517860 1065239902 /nfs/dbraw/zinc/23/99/02/1065239902.db2.gz JNQWLUXCVQGMHT-DEOSSOPVSA-N 1 0 481.689 2.982 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@H](C)CC)CC3)n2CC[NH+]2CCSCC2)cc1 ZINC001292518727 1065243468 /nfs/dbraw/zinc/24/34/68/1065243468.db2.gz WUVNHJKGZZWMCM-OAQYLSRUSA-N 1 0 499.729 2.593 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001292520303 1065244989 /nfs/dbraw/zinc/24/49/89/1065244989.db2.gz FYFOHKBAGYUZSD-VWLOTQADSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@@H](CC)C3)n2CCC2(O)CCOCC2)cc1 ZINC001292520407 1065245014 /nfs/dbraw/zinc/24/50/14/1065245014.db2.gz INYCJIYXEVQEAZ-QHCPKHFHSA-N 1 0 471.646 2.986 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292520803 1065246302 /nfs/dbraw/zinc/24/63/02/1065246302.db2.gz UPWCYVIBHREUNG-SQHAQQRYSA-N 1 0 484.689 2.900 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)n2C[C@@](C)(O)CC)cc1 ZINC001292520800 1065246367 /nfs/dbraw/zinc/24/63/67/1065246367.db2.gz UPWCYVIBHREUNG-IGKIAQTJSA-N 1 0 484.689 2.900 20 0 JFADRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(Br)cc2Br)CC1 ZINC001292521201 1065247320 /nfs/dbraw/zinc/24/73/20/1065247320.db2.gz DATZZWVYAVLTBJ-OAHLLOKOSA-N 1 0 459.182 2.766 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001292578797 1065291774 /nfs/dbraw/zinc/29/17/74/1065291774.db2.gz PELYPMWPACBKKG-OAQYLSRUSA-N 1 0 481.645 2.989 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001292578802 1065292079 /nfs/dbraw/zinc/29/20/79/1065292079.db2.gz POLLJCANMXYYHM-RXVVDRJESA-N 1 0 467.618 2.598 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001292579232 1065293574 /nfs/dbraw/zinc/29/35/74/1065293574.db2.gz PBRDEZMQIBRAQU-JOCHJYFZSA-N 1 0 455.651 2.886 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@H+]1CC ZINC001292580770 1065297309 /nfs/dbraw/zinc/29/73/09/1065297309.db2.gz QIJIAHZFVQWYCD-UXHICEINSA-N 1 0 461.632 2.527 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292589137 1065304641 /nfs/dbraw/zinc/30/46/41/1065304641.db2.gz HYTCXLKWHVCUKJ-XJUOHMSHSA-N 1 0 498.672 2.976 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001292590141 1065307429 /nfs/dbraw/zinc/30/74/29/1065307429.db2.gz FWWDRYJHKMMEHA-IBGZPJMESA-N 1 0 486.686 2.914 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590800 1065308558 /nfs/dbraw/zinc/30/85/58/1065308558.db2.gz VXMGZXDVRATRON-ICSRJNTNSA-N 1 0 454.619 2.865 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(C(N)=O)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001292593508 1065313733 /nfs/dbraw/zinc/31/37/33/1065313733.db2.gz NUFCVWWOLXQKLI-OAQYLSRUSA-N 1 0 454.619 2.996 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292597795 1065317997 /nfs/dbraw/zinc/31/79/97/1065317997.db2.gz YDSDLIJVTQIQLC-CLOONOSVSA-N 1 0 454.619 2.853 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC[N@H+](C)C(C)C ZINC001292600661 1065322205 /nfs/dbraw/zinc/32/22/05/1065322205.db2.gz JLMCCIDQZGPVJQ-UHFFFAOYSA-N 1 0 463.648 2.773 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H](C)[NH+](C)C ZINC001292601221 1065324302 /nfs/dbraw/zinc/32/43/02/1065324302.db2.gz SGPFFFBWYIONLH-LJQANCHMSA-N 1 0 469.634 2.754 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC3(COC(=O)N3)CC2)n1CC[N@H+](C)C(C)C ZINC001292601425 1065324822 /nfs/dbraw/zinc/32/48/22/1065324822.db2.gz YCESDZXYROWNMP-UHFFFAOYSA-N 1 0 456.591 2.839 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](NC(C)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292605450 1065331015 /nfs/dbraw/zinc/33/10/15/1065331015.db2.gz JBIXUZOISSDIFR-HSZRJFAPSA-N 1 0 497.688 2.550 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1C[C@@H](C)[NH+](C)C ZINC001292606929 1065332983 /nfs/dbraw/zinc/33/29/83/1065332983.db2.gz UXVKJLHYPPYDNT-TZIWHRDSSA-N 1 0 454.619 2.961 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)OC)CC2)n1CCC[NH+]1CCCC1 ZINC001292610102 1065337437 /nfs/dbraw/zinc/33/74/37/1065337437.db2.gz LQZKERPHXMCGQT-UHFFFAOYSA-N 1 0 456.591 2.794 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001292610654 1065339112 /nfs/dbraw/zinc/33/91/12/1065339112.db2.gz SSUJVMQGPITKAQ-UHFFFAOYSA-N 1 0 469.634 2.755 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001292614252 1065343177 /nfs/dbraw/zinc/34/31/77/1065343177.db2.gz FXPOOPOJOPZEJJ-HSZRJFAPSA-N 1 0 484.645 2.635 20 0 JFADRO CCc1cnc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)s1 ZINC001292627131 1065364418 /nfs/dbraw/zinc/36/44/18/1065364418.db2.gz YVCOVODUIULKII-HXUWFJFHSA-N 1 0 489.690 2.772 20 0 JFADRO CCc1cnc(CN(C)c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC001292638587 1065374582 /nfs/dbraw/zinc/37/45/82/1065374582.db2.gz IFIIKPSHEWTWQI-FQEVSTJZSA-N 1 0 482.658 2.938 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)CC1 ZINC001292660890 1065397845 /nfs/dbraw/zinc/39/78/45/1065397845.db2.gz OIDCOHOTJIFNPF-IYBDPMFKSA-N 1 0 453.509 2.935 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 ZINC001292662374 1065398384 /nfs/dbraw/zinc/39/83/84/1065398384.db2.gz SYQOTDHZRSFWRW-IAGOWNOFSA-N 1 0 451.637 2.798 20 0 JFADRO Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC001292668031 1065405965 /nfs/dbraw/zinc/40/59/65/1065405965.db2.gz NZICCFUAXQJMEN-UHFFFAOYSA-N 1 0 456.612 2.709 20 0 JFADRO CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+](C)C)s1 ZINC001292675602 1065415574 /nfs/dbraw/zinc/41/55/74/1065415574.db2.gz YACCCYLASMLAFR-CWRNSKLLSA-N 1 0 454.666 2.655 20 0 JFADRO CCc1nc(C)c(Cn2c(Cc3cccnc3)nnc2N2CC[N@H+](CCOC)[C@H](CC)C2)o1 ZINC001292690314 1065436799 /nfs/dbraw/zinc/43/67/99/1065436799.db2.gz CKCQJHUZCBPUGI-HXUWFJFHSA-N 1 0 453.591 2.718 20 0 JFADRO CCc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH+]3CCCCC3)CC2)cs1 ZINC001292694880 1065443455 /nfs/dbraw/zinc/44/34/55/1065443455.db2.gz LURZXQHLXLZZSG-KRWDZBQOSA-N 1 0 495.719 2.605 20 0 JFADRO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)no1 ZINC001292696568 1065446581 /nfs/dbraw/zinc/44/65/81/1065446581.db2.gz SJDSZNUDMOPBTL-OALUTQOASA-N 1 0 472.638 2.695 20 0 JFADRO CCc1nc(CCn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cs1 ZINC001292696728 1065447101 /nfs/dbraw/zinc/44/71/01/1065447101.db2.gz ZLRLBMPBVLPHNB-NRFANRHFSA-N 1 0 475.707 2.894 20 0 JFADRO Cn1ncc(Br)c1C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001292706031 1065461668 /nfs/dbraw/zinc/46/16/68/1065461668.db2.gz JWSCICCQQHHQEF-UHFFFAOYSA-N 1 0 451.365 2.602 20 0 JFADRO CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC001292720007 1065479263 /nfs/dbraw/zinc/47/92/63/1065479263.db2.gz AIAXZNNJZFHNDJ-IRXDYDNUSA-N 1 0 463.652 2.571 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001292720644 1065481602 /nfs/dbraw/zinc/48/16/02/1065481602.db2.gz LHUYXQCTFMTDLF-IRXDYDNUSA-N 1 0 483.708 2.664 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001292721791 1065484163 /nfs/dbraw/zinc/48/41/63/1065484163.db2.gz YZJWHBPKNWHJDM-INIZCTEOSA-N 1 0 483.708 2.808 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001292729633 1065492652 /nfs/dbraw/zinc/49/26/52/1065492652.db2.gz WATLBHDCNFKLBY-WMZOPIPTSA-N 1 0 468.693 2.812 20 0 JFADRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001292753492 1065509875 /nfs/dbraw/zinc/50/98/75/1065509875.db2.gz HUPJMBGVBMEUOC-GOSISDBHSA-N 1 0 459.612 2.632 20 0 JFADRO CCc1nc(CN2CCN(c3nnc(-c4cnn(C)c4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)cs1 ZINC001292756046 1065511948 /nfs/dbraw/zinc/51/19/48/1065511948.db2.gz JLMJVDZMXOWGPC-OAQYLSRUSA-N 1 0 485.706 2.996 20 0 JFADRO Cc1cccc(-c2noc(SCC(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)n2)c1 ZINC001292765889 1065521156 /nfs/dbraw/zinc/52/11/56/1065521156.db2.gz IVIPKJJMQPBLNU-UHFFFAOYSA-N 1 0 453.568 2.745 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(CC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001292774194 1065532026 /nfs/dbraw/zinc/53/20/26/1065532026.db2.gz MLNAIROPXXMZSU-OALUTQOASA-N 1 0 493.100 2.611 20 0 JFADRO CCc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292802936 1065560472 /nfs/dbraw/zinc/56/04/72/1065560472.db2.gz RRJZGYKXIJZIBR-MOPGFXCFSA-N 1 0 456.591 2.963 20 0 JFADRO O=C(Cc1csc2ccc(Br)cc12)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001292811517 1065563113 /nfs/dbraw/zinc/56/31/13/1065563113.db2.gz HKHDSBOSOJPJNV-UHFFFAOYSA-N 1 0 450.402 2.973 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1Cc1cnn(CC(C)C)c1C ZINC001292817078 1065566130 /nfs/dbraw/zinc/56/61/30/1065566130.db2.gz OIBLKDPHSWFLJH-UHFFFAOYSA-N 1 0 453.639 2.847 20 0 JFADRO CCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001292818277 1065566821 /nfs/dbraw/zinc/56/68/21/1065566821.db2.gz XNTLTQZAXMEZIZ-UHFFFAOYSA-N 1 0 474.675 2.613 20 0 JFADRO CN(C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1)[C@H]1C[NH+]2CCC1CC2 ZINC001292873083 1065581755 /nfs/dbraw/zinc/58/17/55/1065581755.db2.gz OFBYXMLELGZHFX-INIZCTEOSA-N 1 0 458.422 2.692 20 0 JFADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001292888222 1065585773 /nfs/dbraw/zinc/58/57/73/1065585773.db2.gz JJHUSTDZYBLNKF-HSZRJFAPSA-N 1 0 456.612 2.568 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892229 1065589782 /nfs/dbraw/zinc/58/97/82/1065589782.db2.gz BDFUZNJFXMCPNR-HYBUGGRVSA-N 1 0 498.672 2.869 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)Oc1ccc(F)cc1 ZINC001292893222 1065593213 /nfs/dbraw/zinc/59/32/13/1065593213.db2.gz MKZGMOZFCNPVTQ-YYDVJCTNSA-N 1 0 472.609 2.826 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894285 1065595361 /nfs/dbraw/zinc/59/53/61/1065595361.db2.gz WKOSWDMQBIPXEG-LAUBAEHRSA-N 1 0 493.578 2.876 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909397 1065599600 /nfs/dbraw/zinc/59/96/00/1065599600.db2.gz VNWSDFWJYVRKNC-UYAOXDASSA-N 1 0 450.539 2.849 20 0 JFADRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909394 1065599662 /nfs/dbraw/zinc/59/96/62/1065599662.db2.gz VNWSDFWJYVRKNC-ICSRJNTNSA-N 1 0 450.539 2.849 20 0 JFADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292911810 1065602053 /nfs/dbraw/zinc/60/20/53/1065602053.db2.gz MKKZYISGMWHTDC-ZIFCJYIRSA-N 1 0 473.618 2.799 20 0 JFADRO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001292919690 1065605663 /nfs/dbraw/zinc/60/56/63/1065605663.db2.gz JMNORWIVUYACKV-NRFANRHFSA-N 1 0 452.640 2.767 20 0 JFADRO CCc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292922620 1065609297 /nfs/dbraw/zinc/60/92/97/1065609297.db2.gz FGIANYOTVDNROJ-NVXWUHKLSA-N 1 0 456.488 2.787 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292922921 1065610693 /nfs/dbraw/zinc/61/06/93/1065610693.db2.gz IARPSTRCKOQYHO-UHFFFAOYSA-N 1 0 460.667 2.741 20 0 JFADRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cc(Cn2cc(Br)cn2)on1 ZINC001292932939 1065622583 /nfs/dbraw/zinc/62/25/83/1065622583.db2.gz IKXWWDYZPGSVLH-QGZVFWFLSA-N 1 0 458.360 2.976 20 0 JFADRO CCc1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292932624 1065622673 /nfs/dbraw/zinc/62/26/73/1065622673.db2.gz WXSJATYMLIRJMU-AABGKKOBSA-N 1 0 491.681 2.523 20 0 JFADRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)c3cc4c([nH]c3=O)CCC[C@H]4O)CC2)c1C ZINC001292933941 1065623898 /nfs/dbraw/zinc/62/38/98/1065623898.db2.gz QFDFLBVWHUJYMU-JOCHJYFZSA-N 1 0 454.571 2.914 20 0 JFADRO COc1cc(CNC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCC[NH+](C)C ZINC001292942961 1065627606 /nfs/dbraw/zinc/62/76/06/1065627606.db2.gz XPPBVQBHSTYSCS-FXAWDEMLSA-N 1 0 453.555 2.847 20 0 JFADRO COc1cc(CNC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCC[NH+](C)C ZINC001292942964 1065627766 /nfs/dbraw/zinc/62/77/66/1065627766.db2.gz XPPBVQBHSTYSCS-XLIONFOSSA-N 1 0 453.555 2.847 20 0 JFADRO CCn1c(SCC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)nnc1-c1ccc(Cl)cc1 ZINC001292957556 1065635318 /nfs/dbraw/zinc/63/53/18/1065635318.db2.gz CBKQMRNYRZAGMH-MRXNPFEDSA-N 1 0 451.040 2.710 20 0 JFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C[C@@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958747 1065636247 /nfs/dbraw/zinc/63/62/47/1065636247.db2.gz ORTGGUHRBYYUEO-XMMPIXPASA-N 1 0 452.599 2.738 20 0 JFADRO CCc1nnc(N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001292959618 1065638816 /nfs/dbraw/zinc/63/88/16/1065638816.db2.gz CIHBDZCALXHUHO-PZJWPPBQSA-N 1 0 466.696 2.745 20 0 JFADRO CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292960152 1065639376 /nfs/dbraw/zinc/63/93/76/1065639376.db2.gz RBTRSSWOEYMHQG-HXUWFJFHSA-N 1 0 477.698 2.950 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCc1ccc(OCC(F)(F)F)nc1 ZINC001292961047 1065641172 /nfs/dbraw/zinc/64/11/72/1065641172.db2.gz RICKQKFUKOMWHV-UHFFFAOYSA-N 1 0 482.551 2.968 20 0 JFADRO CCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292961241 1065642138 /nfs/dbraw/zinc/64/21/38/1065642138.db2.gz BZOKOCGVUKTFDN-GBESFXJTSA-N 1 0 450.628 2.691 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001292970923 1065650910 /nfs/dbraw/zinc/65/09/10/1065650910.db2.gz PHENVUUEOGSWJA-LJQANCHMSA-N 1 0 480.704 2.989 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001292970919 1065650935 /nfs/dbraw/zinc/65/09/35/1065650935.db2.gz PHENVUUEOGSWJA-IBGZPJMESA-N 1 0 480.704 2.989 20 0 JFADRO CCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292971651 1065653796 /nfs/dbraw/zinc/65/37/96/1065653796.db2.gz ZZWVCMWHQCWUFI-QRVBRYPASA-N 1 0 450.628 2.785 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001292977973 1065658381 /nfs/dbraw/zinc/65/83/81/1065658381.db2.gz DLAYLXQFAXKCNO-SFHVURJKSA-N 1 0 481.567 2.938 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292978142 1065658932 /nfs/dbraw/zinc/65/89/32/1065658932.db2.gz OYRLPBKUEQITLC-QFIPXVFZSA-N 1 0 468.646 2.785 20 0 JFADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCCN1CCCCCC1=O ZINC001292979322 1065661423 /nfs/dbraw/zinc/66/14/23/1065661423.db2.gz QYMFCETZVYVANT-UHFFFAOYSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCc1ccc(OC)cc1OC ZINC001292979839 1065662105 /nfs/dbraw/zinc/66/21/05/1065662105.db2.gz YDYQDZZQLZIDKH-NRFANRHFSA-N 1 0 456.635 2.705 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)c2ccnc(Cl)c2Br)CC1 ZINC001292985930 1065670293 /nfs/dbraw/zinc/67/02/93/1065670293.db2.gz JXMNMLFZULGYHT-UHFFFAOYSA-N 1 0 457.800 2.952 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292987736 1065673985 /nfs/dbraw/zinc/67/39/85/1065673985.db2.gz SCFQAAKQMBXJQN-FPOVZHCZSA-N 1 0 474.675 2.659 20 0 JFADRO Cn1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(-c2cc(F)ccc2F)n1 ZINC001292988512 1065676240 /nfs/dbraw/zinc/67/62/40/1065676240.db2.gz YGJZARAGMVVVGE-UHFFFAOYSA-N 1 0 459.541 2.820 20 0 JFADRO CCc1nnc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293032936 1065701974 /nfs/dbraw/zinc/70/19/74/1065701974.db2.gz GIBDLDFTQDQQGW-FCHUYYIVSA-N 1 0 468.646 2.988 20 0 JFADRO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293035553 1065704088 /nfs/dbraw/zinc/70/40/88/1065704088.db2.gz NSAGEKOXFWGMCN-UXHICEINSA-N 1 0 491.681 2.619 20 0 JFADRO CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccccc1C[N@H+](C)C(C)C ZINC001293035737 1065704542 /nfs/dbraw/zinc/70/45/42/1065704542.db2.gz BSCHLFHGSUBIRI-QFIPXVFZSA-N 1 0 474.675 2.733 20 0 JFADRO CCc1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293036144 1065705361 /nfs/dbraw/zinc/70/53/61/1065705361.db2.gz HFEMBDXPHAUICK-IRLDBZIGSA-N 1 0 464.618 2.849 20 0 JFADRO CCc1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001293042552 1065708891 /nfs/dbraw/zinc/70/88/91/1065708891.db2.gz XNLYASSHRSPTSI-NRFANRHFSA-N 1 0 482.677 2.557 20 0 JFADRO CCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001293059872 1065714798 /nfs/dbraw/zinc/71/47/98/1065714798.db2.gz HWAFXHOFWRBYFH-NRFANRHFSA-N 1 0 463.648 2.623 20 0 JFADRO CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001293068058 1065719518 /nfs/dbraw/zinc/71/95/18/1065719518.db2.gz AJRXXZOFCGWDGL-OAQYLSRUSA-N 1 0 471.650 2.651 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCCOc1ccc(OC)cc1 ZINC001293071215 1065724545 /nfs/dbraw/zinc/72/45/45/1065724545.db2.gz LHHFSFDQCLTBRO-UHFFFAOYSA-N 1 0 453.591 2.764 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001293077185 1065727847 /nfs/dbraw/zinc/72/78/47/1065727847.db2.gz DRIKEWCKTRBABI-UHFFFAOYSA-N 1 0 467.662 2.748 20 0 JFADRO CCCCN(C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001293079153 1065729078 /nfs/dbraw/zinc/72/90/78/1065729078.db2.gz LFXDFXCWTMFIIQ-HSZRJFAPSA-N 1 0 450.624 2.540 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001293082195 1065731955 /nfs/dbraw/zinc/73/19/55/1065731955.db2.gz WYGAGWQXONJAQC-GOSISDBHSA-N 1 0 454.600 2.873 20 0 JFADRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001293093727 1065742031 /nfs/dbraw/zinc/74/20/31/1065742031.db2.gz NDHUKVAJVMSKEL-LLVKDONJSA-N 1 0 455.262 2.676 20 0 JFADRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(I)cc(C(F)(F)F)c1 ZINC001293093729 1065742636 /nfs/dbraw/zinc/74/26/36/1065742636.db2.gz NDHUKVAJVMSKEL-NSHDSACASA-N 1 0 455.262 2.676 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293094700 1065744211 /nfs/dbraw/zinc/74/42/11/1065744211.db2.gz NWSYPSURTGUKND-FGZHOGPDSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293097223 1065747552 /nfs/dbraw/zinc/74/75/52/1065747552.db2.gz BKVTUWPUOVEGBK-LJQANCHMSA-N 1 0 461.605 2.719 20 0 JFADRO CCc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001293097834 1065748715 /nfs/dbraw/zinc/74/87/15/1065748715.db2.gz ZHYOUNBOAFULJN-UHFFFAOYSA-N 1 0 461.605 2.863 20 0 JFADRO CCc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001293105462 1065753193 /nfs/dbraw/zinc/75/31/93/1065753193.db2.gz VSWYPVKDYKBWHW-UHFFFAOYSA-N 1 0 453.566 2.690 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293115963 1065762121 /nfs/dbraw/zinc/76/21/21/1065762121.db2.gz IIUJNGOGPDZZIP-QFIPXVFZSA-N 1 0 473.710 2.876 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H]1CCCC[N@H+]1CC ZINC001293116242 1065762472 /nfs/dbraw/zinc/76/24/72/1065762472.db2.gz KFPWLFHNKCNQKC-JOCHJYFZSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001293116293 1065763012 /nfs/dbraw/zinc/76/30/12/1065763012.db2.gz KQOGDYOYDXVPJN-MYDTUXCISA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001293118290 1065765513 /nfs/dbraw/zinc/76/55/13/1065765513.db2.gz BZFYUNUDSRZJRE-JOCHJYFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@@H](C)CC)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001293119535 1065767171 /nfs/dbraw/zinc/76/71/71/1065767171.db2.gz KJXDUHYDBZBBKP-SFTDATJTSA-N 1 0 471.650 2.697 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001293119608 1065767709 /nfs/dbraw/zinc/76/77/09/1065767709.db2.gz LMICBISDVOIRTL-FYYLOGMGSA-N 1 0 467.662 2.666 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293120220 1065768891 /nfs/dbraw/zinc/76/88/91/1065768891.db2.gz FTCIFWHVSIIYIB-JOCHJYFZSA-N 1 0 467.662 2.543 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCO[C@H]1CCCC[C@@H]1C ZINC001293131558 1065783990 /nfs/dbraw/zinc/78/39/90/1065783990.db2.gz OUVHJXNXJBFMGU-ZRBLBEILSA-N 1 0 462.683 2.667 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001293139403 1065790177 /nfs/dbraw/zinc/79/01/77/1065790177.db2.gz RJGKOGLJGFGWRF-QFIPXVFZSA-N 1 0 474.675 2.757 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001293173646 1065801592 /nfs/dbraw/zinc/80/15/92/1065801592.db2.gz NHTQLRSUHZUGET-SFTDATJTSA-N 1 0 470.618 2.559 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293185329 1065809907 /nfs/dbraw/zinc/80/99/07/1065809907.db2.gz QJXMLTMYBCSSSA-SLFFLAALSA-N 1 0 474.654 2.587 20 0 JFADRO CCc1noc([C@@H](C)N2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)CC2)n1 ZINC001293186582 1065811996 /nfs/dbraw/zinc/81/19/96/1065811996.db2.gz WYULJQIOUJUFBU-OXQOHEQNSA-N 1 0 456.570 2.857 20 0 JFADRO CCc1noc(C)c1Cn1c(Cc2ccncc2)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001293199359 1065827795 /nfs/dbraw/zinc/82/77/95/1065827795.db2.gz JLZIYGNZVZTTSW-HXUWFJFHSA-N 1 0 453.591 2.718 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)cc1 ZINC001293204070 1065831556 /nfs/dbraw/zinc/83/15/56/1065831556.db2.gz UZRBOYPLSVJYAQ-UHFFFAOYSA-N 1 0 458.603 2.916 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001293208720 1065840898 /nfs/dbraw/zinc/84/08/98/1065840898.db2.gz PYMAYHZKPVWTAQ-GOSISDBHSA-N 1 0 462.668 2.643 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H](C(CC)CC)[NH+](C)C)CC2)n1 ZINC001293209428 1065844306 /nfs/dbraw/zinc/84/43/06/1065844306.db2.gz YQNXCENXIIJJQX-MOPGFXCFSA-N 1 0 476.695 2.889 20 0 JFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(I)ccc2N)cc1 ZINC001293211628 1065846584 /nfs/dbraw/zinc/84/65/84/1065846584.db2.gz WJJMBHBQUZQXCX-UHFFFAOYSA-N 1 0 453.324 2.786 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCSCC1 ZINC001293214516 1065847744 /nfs/dbraw/zinc/84/77/44/1065847744.db2.gz BIZGVLJGUWQCKQ-VQTJNVASSA-N 1 0 472.659 2.799 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([NH+](C)C)CCCC1 ZINC001293216114 1065853862 /nfs/dbraw/zinc/85/38/62/1065853862.db2.gz ASTXEEHOFIYILC-GOSISDBHSA-N 1 0 486.617 2.560 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293216608 1065855246 /nfs/dbraw/zinc/85/52/46/1065855246.db2.gz JJUVPEWMVTWDOJ-NXWNEQKCSA-N 1 0 488.608 2.771 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293216605 1065855370 /nfs/dbraw/zinc/85/53/70/1065855370.db2.gz JJUVPEWMVTWDOJ-LMVRJCEZSA-N 1 0 488.608 2.771 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(F)ccc2Br)n1CC[NH+]1CCSCC1 ZINC001293219711 1065867750 /nfs/dbraw/zinc/86/77/50/1065867750.db2.gz PGAAVFUBAZHBCQ-QGZVFWFLSA-N 1 0 497.438 2.610 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001293219933 1065868677 /nfs/dbraw/zinc/86/86/77/1065868677.db2.gz XXQCRGAPAFEMMK-OCCSQVGLSA-N 1 0 467.437 2.967 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293221348 1065874989 /nfs/dbraw/zinc/87/49/89/1065874989.db2.gz YKJWSSWMWWSNNJ-CRAIPNDOSA-N 1 0 478.439 2.873 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CC(C)C)n1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001293233385 1065891228 /nfs/dbraw/zinc/89/12/28/1065891228.db2.gz QVZSJXARVBNNPS-JOCHJYFZSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001293240121 1065896829 /nfs/dbraw/zinc/89/68/29/1065896829.db2.gz WUDTUWDMOBUOOS-UNMCSNQZSA-N 1 0 468.646 2.960 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001293240687 1065898454 /nfs/dbraw/zinc/89/84/54/1065898454.db2.gz FOKVGPWKBFLDSJ-QHCPKHFHSA-N 1 0 498.672 2.676 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001293241686 1065901303 /nfs/dbraw/zinc/90/13/03/1065901303.db2.gz DSGKQEJVMPJSTM-FYYLOGMGSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCc2ccccc2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001293241873 1065902276 /nfs/dbraw/zinc/90/22/76/1065902276.db2.gz NWLWNAKKIAVPIK-QFIPXVFZSA-N 1 0 468.646 2.668 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293243629 1065906639 /nfs/dbraw/zinc/90/66/39/1065906639.db2.gz AFGAGUUAXJUAIN-PGRDOPGGSA-N 1 0 479.050 2.663 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCOc2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293243649 1065907014 /nfs/dbraw/zinc/90/70/14/1065907014.db2.gz XIBOSLTZKFZLTR-OAQYLSRUSA-N 1 0 454.619 2.879 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001293243759 1065907068 /nfs/dbraw/zinc/90/70/68/1065907068.db2.gz BEHZHFDYCCXARM-ZCNNSNEGSA-N 1 0 489.665 2.797 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC(C)(C)C[NH+](C)C ZINC001293247454 1065911885 /nfs/dbraw/zinc/91/18/85/1065911885.db2.gz NBEWIOOTMULWJF-QGZVFWFLSA-N 1 0 460.648 2.882 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293248054 1065914073 /nfs/dbraw/zinc/91/40/73/1065914073.db2.gz VSVYXSVEOWEJET-IBGZPJMESA-N 1 0 458.582 2.976 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(N)=O)Cc1ccccc1 ZINC001293269630 1065927075 /nfs/dbraw/zinc/92/70/75/1065927075.db2.gz RSFBADWXZUYJGT-OAQYLSRUSA-N 1 0 454.571 2.526 20 0 JFADRO O=C(CCCSc1ccc(Br)cc1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001293284860 1065933491 /nfs/dbraw/zinc/93/34/91/1065933491.db2.gz ZJSXDWIAOBICLC-SFHVURJKSA-N 1 0 456.450 2.844 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)F ZINC001293323585 1065949066 /nfs/dbraw/zinc/94/90/66/1065949066.db2.gz FLZYKWPKNZSSQU-VQTJNVASSA-N 1 0 489.615 2.649 20 0 JFADRO CC[C@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293330878 1065951790 /nfs/dbraw/zinc/95/17/90/1065951790.db2.gz FWVRMQOYNJWTLN-MOPGFXCFSA-N 1 0 473.691 2.920 20 0 JFADRO CC[C@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+](C)C1CCCC1 ZINC001293334458 1065953013 /nfs/dbraw/zinc/95/30/13/1065953013.db2.gz ZYVAJILTDIAMOP-MSOLQXFVSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+](C)C1CCCC1 ZINC001293334461 1065953045 /nfs/dbraw/zinc/95/30/45/1065953045.db2.gz ZYVAJILTDIAMOP-QZTJIDSGSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001293357832 1065962953 /nfs/dbraw/zinc/96/29/53/1065962953.db2.gz BEYHRWVTZJEBPK-RTWAWAEBSA-N 1 0 496.660 2.931 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC001293359142 1065963372 /nfs/dbraw/zinc/96/33/72/1065963372.db2.gz LNVKOLYTCINGRA-DNQXCXABSA-N 1 0 497.688 2.536 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001293361481 1065965314 /nfs/dbraw/zinc/96/53/14/1065965314.db2.gz AIVGBUWAIKTMLP-YXTQBTIXSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)CC1 ZINC001293365053 1065969710 /nfs/dbraw/zinc/96/97/10/1065969710.db2.gz REVNOEWGSQMEQG-LJQANCHMSA-N 1 0 492.466 2.979 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 ZINC001293365630 1065970926 /nfs/dbraw/zinc/97/09/26/1065970926.db2.gz NZIURAPEQQJKHF-NRFANRHFSA-N 1 0 454.619 2.813 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)C ZINC001293366606 1065971550 /nfs/dbraw/zinc/97/15/50/1065971550.db2.gz WUTCCDUVDVAVOK-HXUWFJFHSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC001293366622 1065971734 /nfs/dbraw/zinc/97/17/34/1065971734.db2.gz XAQPKOCMHAKSFU-PCCBWWKXSA-N 1 0 471.650 2.905 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368942 1065972129 /nfs/dbraw/zinc/97/21/29/1065972129.db2.gz AIBPKJVNVRDKFI-IRXDYDNUSA-N 1 0 482.555 2.882 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001293366652 1065972156 /nfs/dbraw/zinc/97/21/56/1065972156.db2.gz XTONYMVKNMEVLH-YADHBBJMSA-N 1 0 454.619 2.859 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001293369487 1065972923 /nfs/dbraw/zinc/97/29/23/1065972923.db2.gz GWLHZTYVINKLQO-HSALFYBXSA-N 1 0 489.665 2.939 20 0 JFADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1 ZINC001293369855 1065973278 /nfs/dbraw/zinc/97/32/78/1065973278.db2.gz CDNSMFPQPUDWEO-UXHICEINSA-N 1 0 459.612 2.678 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)OC)CC1 ZINC001293370963 1065974089 /nfs/dbraw/zinc/97/40/89/1065974089.db2.gz DKWFOFDFYFAYRK-IBGZPJMESA-N 1 0 488.658 2.924 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373122 1065976981 /nfs/dbraw/zinc/97/69/81/1065976981.db2.gz PLGDUZCHFDRQMW-SFTDATJTSA-N 1 0 467.680 2.698 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 ZINC001293373327 1065977449 /nfs/dbraw/zinc/97/74/49/1065977449.db2.gz NXKIELBQOOCWRF-NRFANRHFSA-N 1 0 469.634 2.603 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001293373574 1065977948 /nfs/dbraw/zinc/97/79/48/1065977948.db2.gz QDHVFAFUNVMAIC-NHCUHLMSSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001293374138 1065979857 /nfs/dbraw/zinc/97/98/57/1065979857.db2.gz UGBISLAQJICUPS-YPAWHYETSA-N 1 0 496.722 2.748 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001293374648 1065980846 /nfs/dbraw/zinc/98/08/46/1065980846.db2.gz ZGFDCMPAWPAWMD-GOTSBHOMSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001293375184 1065981293 /nfs/dbraw/zinc/98/12/93/1065981293.db2.gz BKUMPZVKLNRXEU-SQGPQFPESA-N 1 0 466.627 2.957 20 0 JFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001293377379 1065981944 /nfs/dbraw/zinc/98/19/44/1065981944.db2.gz TZJWEOCSUWGYOT-HOJAQTOUSA-N 1 0 451.612 2.581 20 0 JFADRO CC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001293413103 1065998739 /nfs/dbraw/zinc/99/87/39/1065998739.db2.gz RIZWBWGRJDRHBB-NRFANRHFSA-N 1 0 454.619 2.800 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001293455604 1066012462 /nfs/dbraw/zinc/01/24/62/1066012462.db2.gz PBKKZVZRTWLUFH-GUDVDZBRSA-N 1 0 460.648 2.571 20 0 JFADRO CC1CCC([NH+]2CCN(C(=O)[C@H]3[C@H]4C(=O)N(CC(F)(F)F)C(=O)[C@@H]4C=C[C@H]3C)CC2)CC1 ZINC001293495184 1066025794 /nfs/dbraw/zinc/02/57/94/1066025794.db2.gz BOIXHSNKNZBTSM-JLWYPVFISA-N 1 0 455.521 2.695 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCS1 ZINC001293504599 1066028363 /nfs/dbraw/zinc/02/83/63/1066028363.db2.gz BMBITRDKODTCHO-LJQANCHMSA-N 1 0 464.680 2.735 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CSC)cc2)CC[N@@H+]1CCOC ZINC001293505229 1066028650 /nfs/dbraw/zinc/02/86/50/1066028650.db2.gz FTQVWVLJWGFKPM-QFIPXVFZSA-N 1 0 486.686 2.972 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001293505559 1066028972 /nfs/dbraw/zinc/02/89/72/1066028972.db2.gz HCSCKEYXQOXZIR-PKOBYXMFSA-N 1 0 475.663 2.630 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC001293505612 1066029223 /nfs/dbraw/zinc/02/92/23/1066029223.db2.gz INUPGENRQGVFKZ-NRFANRHFSA-N 1 0 470.618 2.508 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)Cc3ccccc3C2)C[C@@H](C)O1 ZINC001293506488 1066030318 /nfs/dbraw/zinc/03/03/18/1066030318.db2.gz CXHZYWGCMFYYTJ-WIYYLYMNSA-N 1 0 454.619 2.519 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC001293508409 1066032425 /nfs/dbraw/zinc/03/24/25/1066032425.db2.gz DQIMAINCKOIKNP-DLBZAZTESA-N 1 0 455.588 2.905 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC001293508412 1066032668 /nfs/dbraw/zinc/03/26/68/1066032668.db2.gz DQIMAINCKOIKNP-SJORKVTESA-N 1 0 455.588 2.905 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(F)cc(OC)c2)CC[N@@H+]1CCOC ZINC001293509341 1066034046 /nfs/dbraw/zinc/03/40/46/1066034046.db2.gz HZZSVLPHSJLQLV-HXUWFJFHSA-N 1 0 497.575 2.668 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccs2)CC[N@@H+]1CCOC ZINC001293510487 1066035465 /nfs/dbraw/zinc/03/54/65/1066035465.db2.gz OXYCEMQCWMFAFV-KRWDZBQOSA-N 1 0 455.588 2.582 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@H+](CC)C2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001293511746 1066037743 /nfs/dbraw/zinc/03/77/43/1066037743.db2.gz XZLLWNCYPCAGPY-VAMGGRTRSA-N 1 0 491.681 2.888 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)CC[N@@H+]1CCOC ZINC001293517797 1066040604 /nfs/dbraw/zinc/04/06/04/1066040604.db2.gz JESHCJRVGMBUHG-HXUWFJFHSA-N 1 0 460.598 2.826 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001293524071 1066045343 /nfs/dbraw/zinc/04/53/43/1066045343.db2.gz KRVIPQRSEXHCOS-FPGHNAPASA-N 1 0 493.649 2.972 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001293530048 1066049539 /nfs/dbraw/zinc/04/95/39/1066049539.db2.gz CNFLGUVNSWKAOK-XAISMOLKSA-N 1 0 479.666 2.681 20 0 JFADRO CC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001293531127 1066050827 /nfs/dbraw/zinc/05/08/27/1066050827.db2.gz KQSQIUXPXWCHOR-RDPSFJRHSA-N 1 0 480.723 2.677 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CC[N@@H+]1CCOC ZINC001293533768 1066052660 /nfs/dbraw/zinc/05/26/60/1066052660.db2.gz SPYZJDRBBBXHJP-SFHVURJKSA-N 1 0 464.408 2.780 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001293537236 1066054373 /nfs/dbraw/zinc/05/43/73/1066054373.db2.gz IUIROEIEZKLFTG-QZTJIDSGSA-N 1 0 481.439 2.888 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001293538856 1066056213 /nfs/dbraw/zinc/05/62/13/1066056213.db2.gz HNYBESREGASMJF-UGKGYDQZSA-N 1 0 477.053 2.724 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001293539691 1066058189 /nfs/dbraw/zinc/05/81/89/1066058189.db2.gz LFEFKDVGPJLYCR-FPOVZHCZSA-N 1 0 456.635 2.983 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H](C)O1 ZINC001293539725 1066058548 /nfs/dbraw/zinc/05/85/48/1066058548.db2.gz LLPTYTZWULPMEU-SFHLNBCPSA-N 1 0 492.690 2.929 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(C)cn2)CC[N@@H+]1CCOC ZINC001293541275 1066060792 /nfs/dbraw/zinc/06/07/92/1066060792.db2.gz SVEGKNKCKIHQBJ-NRFANRHFSA-N 1 0 453.591 2.706 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC[N@H+](C)C(C)C)C[C@H](C)O1 ZINC001293542251 1066062410 /nfs/dbraw/zinc/06/24/10/1066062410.db2.gz ZFYKBZVVKWODAH-PZJWPPBQSA-N 1 0 492.690 2.929 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CC[N@@H+]1CCOC ZINC001293555625 1066069743 /nfs/dbraw/zinc/06/97/43/1066069743.db2.gz XJEJEAKOLKONNQ-IAGOWNOFSA-N 1 0 464.973 2.563 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC[N@@H+]1CCOC ZINC001293556117 1066070215 /nfs/dbraw/zinc/07/02/15/1066070215.db2.gz HIBJJWJYPNELDN-FQEVSTJZSA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001293556504 1066070987 /nfs/dbraw/zinc/07/09/87/1066070987.db2.gz OVHVTQKFIYQUGB-LJQANCHMSA-N 1 0 470.574 2.854 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001293559210 1066073426 /nfs/dbraw/zinc/07/34/26/1066073426.db2.gz VTJDLRVFNYJZHD-LJQANCHMSA-N 1 0 473.618 2.813 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)CCO1 ZINC001293559209 1066073501 /nfs/dbraw/zinc/07/35/01/1066073501.db2.gz VTJDLRVFNYJZHD-IBGZPJMESA-N 1 0 473.618 2.813 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CC(C)(C)C(=O)NC)CC[N@@H+]1CCOC ZINC001293559232 1066073536 /nfs/dbraw/zinc/07/35/36/1066073536.db2.gz WACNFRFZSZSVQB-HXUWFJFHSA-N 1 0 479.629 2.813 20 0 JFADRO 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CC/C=C/Cn1c(Cc2csc(C)n2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001293714523 1066180390 /nfs/dbraw/zinc/18/03/90/1066180390.db2.gz KPZRVXKVRUEEQO-WMWRJIBUSA-N 1 0 473.691 2.831 20 0 JFADRO CCCC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](CC3CC3)CC2)cc1 ZINC001293728770 1066186845 /nfs/dbraw/zinc/18/68/45/1066186845.db2.gz FNZWLBHBQWDJIJ-UHFFFAOYSA-N 1 0 467.618 2.735 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001293736609 1066197971 /nfs/dbraw/zinc/19/79/71/1066197971.db2.gz SFYYRJUPSIIPSM-YPAWHYETSA-N 1 0 487.693 2.767 20 0 JFADRO C[C@H](NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1C[N@H+](C)CCN1C ZINC001293744587 1066213700 /nfs/dbraw/zinc/21/37/00/1066213700.db2.gz JATZQIVPIRTXCE-UUOWRZLLSA-N 1 0 450.583 2.666 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001293756387 1066236091 /nfs/dbraw/zinc/23/60/91/1066236091.db2.gz RBWRARQYFVFAER-BHIFYINESA-N 1 0 487.693 2.654 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001293757696 1066238677 /nfs/dbraw/zinc/23/86/77/1066238677.db2.gz YLKDVYCHUCUUGU-NHCUHLMSSA-N 1 0 473.666 2.550 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001293761661 1066245414 /nfs/dbraw/zinc/24/54/14/1066245414.db2.gz KEUBCTKESRMBTF-OAQYLSRUSA-N 1 0 487.624 2.743 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC[NH+](CCC)CC2)CC1 ZINC001293762168 1066247426 /nfs/dbraw/zinc/24/74/26/1066247426.db2.gz NLCYEQAKZMGTQG-UHFFFAOYSA-N 1 0 496.660 2.933 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCCCC2)C1 ZINC001293762398 1066248308 /nfs/dbraw/zinc/24/83/08/1066248308.db2.gz SHLBZMSRGBVXQT-LJQANCHMSA-N 1 0 487.674 2.641 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3ccccc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001293766742 1066256431 /nfs/dbraw/zinc/25/64/31/1066256431.db2.gz NUBUVDYOFCNCID-UHFFFAOYSA-N 1 0 454.619 2.943 20 0 JFADRO O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001293771568 1066260925 /nfs/dbraw/zinc/26/09/25/1066260925.db2.gz WHYPOVQKNAAWKG-JOCHJYFZSA-N 1 0 457.596 2.887 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001293774815 1066267192 /nfs/dbraw/zinc/26/71/92/1066267192.db2.gz QJGKPVNJMQXAQA-UHFFFAOYSA-N 1 0 469.634 2.646 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001293779208 1066272122 /nfs/dbraw/zinc/27/21/22/1066272122.db2.gz BLYGQFKHYUAERR-IBGZPJMESA-N 1 0 470.666 2.757 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001293786088 1066286675 /nfs/dbraw/zinc/28/66/75/1066286675.db2.gz DVFBUCRAEFTXDR-VXKWHMMOSA-N 1 0 483.661 2.830 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001293786697 1066289062 /nfs/dbraw/zinc/28/90/62/1066289062.db2.gz JAPJEWUYEKYAKV-FQEVSTJZSA-N 1 0 468.650 2.990 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001293786751 1066289497 /nfs/dbraw/zinc/28/94/97/1066289497.db2.gz JWWTWHOWUDRINA-NTKDMRAZSA-N 1 0 471.675 2.910 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@H+]2CCC)C1 ZINC001293787647 1066292135 /nfs/dbraw/zinc/29/21/35/1066292135.db2.gz VBEHESRDPKIXQF-PMACEKPBSA-N 1 0 454.623 2.742 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C1 ZINC001293788095 1066294885 /nfs/dbraw/zinc/29/48/85/1066294885.db2.gz XUMSABHRIOIYPI-IBGZPJMESA-N 1 0 457.648 2.522 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001293789336 1066297456 /nfs/dbraw/zinc/29/74/56/1066297456.db2.gz OPFSLLPPYXEKTF-RTWAWAEBSA-N 1 0 497.692 2.535 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293795893 1066303606 /nfs/dbraw/zinc/30/36/06/1066303606.db2.gz WTRJWCFXMCAILV-NBGIEHNGSA-N 1 0 489.064 2.722 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001293805214 1066314675 /nfs/dbraw/zinc/31/46/75/1066314675.db2.gz JGZCLJGRFDHPFS-DEOSSOPVSA-N 1 0 475.659 2.964 20 0 JFADRO O=C(NCC[NH+]1CC=CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC001293808136 1066318605 /nfs/dbraw/zinc/31/86/05/1066318605.db2.gz VVFMNICJEKBHRV-UHFFFAOYSA-N 1 0 450.358 2.852 20 0 JFADRO CCC[C@](C)(O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293818870 1066326118 /nfs/dbraw/zinc/32/61/18/1066326118.db2.gz ASPTXHOAKTXYCX-QNIAMRLHSA-N 1 0 460.667 2.866 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001293822515 1066330443 /nfs/dbraw/zinc/33/04/43/1066330443.db2.gz VALQIDBXOKXZLE-RTGAMMJTSA-N 1 0 483.661 2.579 20 0 JFADRO CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC001293831371 1066335340 /nfs/dbraw/zinc/33/53/40/1066335340.db2.gz MPJSOGASHLJVJZ-AWEZNQCLSA-N 1 0 459.490 2.820 20 0 JFADRO CCC[C@](C)(O)Cn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001293837304 1066342478 /nfs/dbraw/zinc/34/24/78/1066342478.db2.gz SVILAEQRCHBVDL-VWLOTQADSA-N 1 0 473.618 2.718 20 0 JFADRO CN(CCCC[NH+](C)C)C(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001293842179 1066344147 /nfs/dbraw/zinc/34/41/47/1066344147.db2.gz GGFKPAIOYDGGDB-HKUYNNGSSA-N 1 0 459.450 2.843 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001293863023 1066373185 /nfs/dbraw/zinc/37/31/85/1066373185.db2.gz YTOTUJJMRWFQKW-FQEVSTJZSA-N 1 0 486.636 2.861 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001293862993 1066373291 /nfs/dbraw/zinc/37/32/91/1066373291.db2.gz YOYYDHJRSCDXIC-LEWJYISDSA-N 1 0 462.683 2.968 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001293866131 1066376377 /nfs/dbraw/zinc/37/63/77/1066376377.db2.gz XBEIRFCXDUVNJS-URVUXULASA-N 1 0 476.666 2.762 20 0 JFADRO CCC[C@@H](C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001293870132 1066382305 /nfs/dbraw/zinc/38/23/05/1066382305.db2.gz SAGZCJLHHSQLMA-OAQYLSRUSA-N 1 0 480.661 2.990 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001293916658 1066399586 /nfs/dbraw/zinc/39/95/86/1066399586.db2.gz LQWZDMPCLSIRHJ-IFMALSPDSA-N 1 0 453.635 2.672 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001293920885 1066400605 /nfs/dbraw/zinc/40/06/05/1066400605.db2.gz BFNLBINQXZKENJ-QUCCMNQESA-N 1 0 470.684 2.500 20 0 JFADRO C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001293923646 1066403684 /nfs/dbraw/zinc/40/36/84/1066403684.db2.gz CTUKRSFHAAFPPR-CYBMUJFWSA-N 1 0 450.402 2.844 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001293930572 1066408984 /nfs/dbraw/zinc/40/89/84/1066408984.db2.gz CTFXRFYFLALXSC-PCCBWWKXSA-N 1 0 475.682 2.812 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293937018 1066420788 /nfs/dbraw/zinc/42/07/88/1066420788.db2.gz OGDWHBNQIASISK-MOPGFXCFSA-N 1 0 454.623 2.741 20 0 JFADRO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293937021 1066420823 /nfs/dbraw/zinc/42/08/23/1066420823.db2.gz OGDWHBNQIASISK-RTBURBONSA-N 1 0 454.623 2.741 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001293939093 1066423455 /nfs/dbraw/zinc/42/34/55/1066423455.db2.gz UMBBZTIMXIVANN-ZJOUEHCJSA-N 1 0 456.639 2.684 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001293939091 1066423555 /nfs/dbraw/zinc/42/35/55/1066423555.db2.gz UMBBZTIMXIVANN-IRFCIJBXSA-N 1 0 456.639 2.684 20 0 JFADRO CCC[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)OC ZINC001293959293 1066457918 /nfs/dbraw/zinc/45/79/18/1066457918.db2.gz OQXQIRPKDDUNOX-HMXCVIKNSA-N 1 0 490.674 2.683 20 0 JFADRO CCC[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001293960009 1066458502 /nfs/dbraw/zinc/45/85/02/1066458502.db2.gz APJDEZLCYQORFU-FGZHOGPDSA-N 1 0 470.618 2.512 20 0 JFADRO CCC[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001293960010 1066458562 /nfs/dbraw/zinc/45/85/62/1066458562.db2.gz APJDEZLCYQORFU-VXKWHMMOSA-N 1 0 470.618 2.512 20 0 JFADRO CN1C(=O)C[C@H](C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001293981690 1066486026 /nfs/dbraw/zinc/48/60/26/1066486026.db2.gz GIOXRGWBGUEQDN-KUWBRRTOSA-N 1 0 459.949 2.752 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001294025853 1066513346 /nfs/dbraw/zinc/51/33/46/1066513346.db2.gz UVQDBBYUVXLOGL-OAQYLSRUSA-N 1 0 457.596 2.538 20 0 JFADRO CCCc1nc(C)c(Cn2c(COCC)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)o1 ZINC001294053809 1066525519 /nfs/dbraw/zinc/52/55/19/1066525519.db2.gz SFXMPSAXIJEEIH-HXUWFJFHSA-N 1 0 459.639 2.717 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCCS2)CC[N@@H+]1CCOC ZINC001294054646 1066526742 /nfs/dbraw/zinc/52/67/42/1066526742.db2.gz LFYPSMZSXNDBPQ-PGRDOPGGSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC[N@@H+]1CCOC ZINC001294054986 1066528379 /nfs/dbraw/zinc/52/83/79/1066528379.db2.gz REMXWHQGHIMXCQ-CZSZKKDXSA-N 1 0 476.666 2.799 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2)CC[N@@H+]1CCOC ZINC001294055265 1066528809 /nfs/dbraw/zinc/52/88/09/1066528809.db2.gz SQKUOQNTWRQPIJ-RTBURBONSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC001294055669 1066529207 /nfs/dbraw/zinc/52/92/07/1066529207.db2.gz FHESTTHUBPTAIH-UWUFEASWSA-N 1 0 473.618 2.889 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294058529 1066531178 /nfs/dbraw/zinc/53/11/78/1066531178.db2.gz RGFSVZZVVLWGHR-RBUKOAKNSA-N 1 0 476.588 2.602 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294066390 1066536484 /nfs/dbraw/zinc/53/64/84/1066536484.db2.gz HSUJGIKOUOTVRO-VQTJNVASSA-N 1 0 479.025 2.736 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2NC(=O)CC2(C)C)CC[N@@H+]1CCOC ZINC001294068730 1066539253 /nfs/dbraw/zinc/53/92/53/1066539253.db2.gz XDWJHOKOPVUWDG-RBUKOAKNSA-N 1 0 490.052 2.845 20 0 JFADRO CNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001294072857 1066542118 /nfs/dbraw/zinc/54/21/18/1066542118.db2.gz PNUGGFPVJHCGAC-INIZCTEOSA-N 1 0 459.490 2.714 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CC[N@@H+]1CCOC ZINC001294075544 1066544592 /nfs/dbraw/zinc/54/45/92/1066544592.db2.gz AVUMUKJOBVNCSI-LJQANCHMSA-N 1 0 470.622 2.950 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2(CC)CCOCC2)CC[N@@H+]1CCOC ZINC001294075510 1066544659 /nfs/dbraw/zinc/54/46/59/1066544659.db2.gz AFRTUXWLQOTQPB-OAQYLSRUSA-N 1 0 459.639 2.823 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2nccnc2C)CC[N@@H+]1CCOC ZINC001294076339 1066545528 /nfs/dbraw/zinc/54/55/28/1066545528.db2.gz IHHITHIQCNPGEH-NRFANRHFSA-N 1 0 450.591 2.618 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001294078066 1066547939 /nfs/dbraw/zinc/54/79/39/1066547939.db2.gz VKJPLQFAAIMWPR-PXDATVDWSA-N 1 0 465.602 2.580 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@@H+]1CCOC ZINC001294082196 1066550702 /nfs/dbraw/zinc/55/07/02/1066550702.db2.gz QOZCWNCBYRFYCR-VQTJNVASSA-N 1 0 467.680 2.631 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001294085280 1066555071 /nfs/dbraw/zinc/55/50/71/1066555071.db2.gz DPTLDAPPESKFOB-PLACYPQZSA-N 1 0 467.680 2.554 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC001294086963 1066558751 /nfs/dbraw/zinc/55/87/51/1066558751.db2.gz PEOZVTUACZJXEZ-QHAWAJNXSA-N 1 0 467.680 2.840 20 0 JFADRO 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c1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[NH2+]CCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164391437 718824546 /nfs/dbraw/zinc/82/45/46/718824546.db2.gz VUNPXUHOBIBKQM-WOJBJXKFSA-N 1 0 451.596 2.758 20 0 JFADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001164402969 718852271 /nfs/dbraw/zinc/85/22/71/718852271.db2.gz HBDJIHLIZBELPM-YJYMSZOUSA-N 1 0 473.307 2.703 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@@H]2C[NH2+]CC[C@H]2C1 ZINC001164406131 718861537 /nfs/dbraw/zinc/86/15/37/718861537.db2.gz SZRWHNRETHMUGG-DOTOQJQBSA-N 1 0 452.889 2.847 20 0 JFADRO CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c2c1C ZINC001164409898 718864405 /nfs/dbraw/zinc/86/44/05/718864405.db2.gz VGQYHPDZUCNRIP-ROUUACIJSA-N 1 0 473.643 2.977 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164433720 718968819 /nfs/dbraw/zinc/96/88/19/718968819.db2.gz MYWPBGCUEXXIHO-PKTZIBPZSA-N 1 0 475.515 2.556 20 0 JFADRO 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CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613956 719017257 /nfs/dbraw/zinc/01/72/57/719017257.db2.gz ARGVEQGFNCULOT-NJAFHUGGSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC2)CC1 ZINC001164614702 719025945 /nfs/dbraw/zinc/02/59/45/719025945.db2.gz WZRBMUXICVQRAU-UHFFFAOYSA-N 1 0 451.571 2.607 20 0 JFADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3ncccc3C[NH+]3CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001164631028 719143754 /nfs/dbraw/zinc/14/37/54/719143754.db2.gz MMERTWJVRRUCKR-KCWPFWIISA-N 1 0 461.610 2.588 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)nc1 ZINC001164632727 719259190 /nfs/dbraw/zinc/25/91/90/719259190.db2.gz AQHSZGQYJBKYGY-JOCHJYFZSA-N 1 0 467.618 2.769 20 0 JFADRO CN(C)C(=O)COCc1noc2c1CN(c1ccc3c(n1)CC[N@@H+](Cc1ccccc1)C3)CC2 ZINC001164659353 719341154 /nfs/dbraw/zinc/34/11/54/719341154.db2.gz BKTNUCBQSJWEBZ-UHFFFAOYSA-N 1 0 461.566 2.795 20 0 JFADRO Fc1ccc(CN2CCOCC23CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)cc1 ZINC001164679298 719528798 /nfs/dbraw/zinc/52/87/98/719528798.db2.gz XGLRXQYSBWETRV-UHFFFAOYSA-N 1 0 455.578 2.866 20 0 JFADRO COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682479 719631482 /nfs/dbraw/zinc/63/14/82/719631482.db2.gz NHRXUSBDDVCGCL-LUAWRHEFSA-N 1 0 468.602 2.924 20 0 JFADRO CC(C)N(C)Cc1nn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)c2c1CC[NH2+]C2 ZINC001164679459 719644509 /nfs/dbraw/zinc/64/45/09/719644509.db2.gz BDBFWUHMMYJSMD-UHFFFAOYSA-N 1 0 476.553 2.832 20 0 JFADRO CCOC(=O)c1ccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nn1 ZINC001164685334 719660346 /nfs/dbraw/zinc/66/03/46/719660346.db2.gz ZGEIOTRWYAHFKM-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO CCOC(=O)c1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cn1 ZINC001164681482 719667235 /nfs/dbraw/zinc/66/72/35/719667235.db2.gz LPPQSJJOCZQGDT-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO C[C@H]1C(=O)Nc2ncnc(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c21 ZINC001164680787 719670882 /nfs/dbraw/zinc/67/08/82/719670882.db2.gz HPTMZNYMTXGEAI-QZTJIDSGSA-N 1 0 462.598 2.626 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C(N)=O)nc(C4CC4)n3)CC2)c2ccccc21 ZINC001164686701 719683928 /nfs/dbraw/zinc/68/39/28/719683928.db2.gz PJFJMGISDNMLLN-IBGZPJMESA-N 1 0 476.625 2.546 20 0 JFADRO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685695 719684077 /nfs/dbraw/zinc/68/40/77/719684077.db2.gz LUKXMHQVKRYUCT-GOSISDBHSA-N 1 0 499.059 2.973 20 0 JFADRO CN1CC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)COc2ccccc2S1(=O)=O ZINC001164692035 719779081 /nfs/dbraw/zinc/77/90/81/719779081.db2.gz RCYLESTWOKVALD-UHFFFAOYSA-N 1 0 456.612 2.977 20 0 JFADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)CC3)cs1 ZINC001164691738 719805256 /nfs/dbraw/zinc/80/52/56/719805256.db2.gz JOFVUNCAXSHCCL-UHFFFAOYSA-N 1 0 499.685 2.550 20 0 JFADRO C[NH+]1CCN(c2cccc(N3CCC4(CCn5c(-c6ccc(C(N)=O)cc6)cnc54)CC3)n2)CC1 ZINC001164698097 719829954 /nfs/dbraw/zinc/82/99/54/719829954.db2.gz QANJQELSHCXMFG-UHFFFAOYSA-N 1 0 471.609 2.738 20 0 JFADRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@@H]21 ZINC001164698155 719882785 /nfs/dbraw/zinc/88/27/85/719882785.db2.gz DIZXVIQDCYVXDR-XPWALMASSA-N 1 0 470.577 2.767 20 0 JFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC001164698251 719897690 /nfs/dbraw/zinc/89/76/90/719897690.db2.gz QHFQDJHTKYMCQD-UHFFFAOYSA-N 1 0 450.630 2.701 20 0 JFADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2 ZINC001164709352 719912845 /nfs/dbraw/zinc/91/28/45/719912845.db2.gz UDOINZPSNDEUCH-UHFFFAOYSA-N 1 0 469.593 2.768 20 0 JFADRO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]c(N3CCCC3)cc3ccccc31)CC2 ZINC001164708588 719928795 /nfs/dbraw/zinc/92/87/95/719928795.db2.gz LXSHTBVKGMKYNY-UHFFFAOYSA-N 1 0 459.598 2.519 20 0 JFADRO 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CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164885636 721384331 /nfs/dbraw/zinc/38/43/31/721384331.db2.gz CWBQDOQEQYNVQZ-IERDGZPVSA-N 1 0 487.979 2.617 20 0 JFADRO CCOC(=O)c1c(Cl)cc(C)nc1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164884305 721384854 /nfs/dbraw/zinc/38/48/54/721384854.db2.gz AADQZBFBUCMRNG-MBSDFSHPSA-N 1 0 451.011 2.986 20 0 JFADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2c1 ZINC001164890515 721387024 /nfs/dbraw/zinc/38/70/24/721387024.db2.gz NSLLFMATYXUZJT-HOYKHHGWSA-N 1 0 474.005 2.835 20 0 JFADRO COC(=O)c1cc(C(F)(F)N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)cnc1Cl ZINC001164890996 721400434 /nfs/dbraw/zinc/40/04/34/721400434.db2.gz UWSQFTLWYASXSX-UTKZUKDTSA-N 1 0 472.964 2.832 20 0 JFADRO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164883541 721404103 /nfs/dbraw/zinc/40/41/03/721404103.db2.gz APRULXQBZOYFPD-IIBYNOLFSA-N 1 0 472.964 2.832 20 0 JFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886226 721412959 /nfs/dbraw/zinc/41/29/59/721412959.db2.gz IHCRQXBCAVLYLC-UUOWRZLLSA-N 1 0 474.005 2.835 20 0 JFADRO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886219 721412986 /nfs/dbraw/zinc/41/29/86/721412986.db2.gz IHCRQXBCAVLYLC-HOYKHHGWSA-N 1 0 474.005 2.835 20 0 JFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164888353 721417890 /nfs/dbraw/zinc/41/78/90/721417890.db2.gz OKLHTCHSZSNSKL-BTYIYWSLSA-N 1 0 472.417 2.726 20 0 JFADRO COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1 ZINC001164883467 721419185 /nfs/dbraw/zinc/41/91/85/721419185.db2.gz AARMKZBODPCDMS-DYESRHJHSA-N 1 0 472.964 2.832 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)C3)O2)CC1 ZINC001164884585 721420444 /nfs/dbraw/zinc/42/04/44/721420444.db2.gz FBXMSAIMJGAIRZ-WNCULLNHSA-N 1 0 492.672 2.689 20 0 JFADRO Cc1cc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc(N3CCOCC3)c2s1 ZINC001164884554 721421468 /nfs/dbraw/zinc/42/14/68/721421468.db2.gz DWZAWRZMDFCQLY-CJFMBICVSA-N 1 0 486.686 2.602 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C3)O2)CC1 ZINC001164892357 721435555 /nfs/dbraw/zinc/43/55/55/721435555.db2.gz IGCBHQJTFXXQOR-LVXARBLLSA-N 1 0 465.598 2.680 20 0 JFADRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4c5c(nnc4Cl)CCC5)C3)O2)CC1 ZINC001164896151 721436690 /nfs/dbraw/zinc/43/66/90/721436690.db2.gz QSJCVGHHFZXADN-IERDGZPVSA-N 1 0 455.981 2.929 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN([C@](F)(COc4cncc(Cl)n4)C(F)F)C3)O2)CC1 ZINC001164890791 721439539 /nfs/dbraw/zinc/43/95/39/721439539.db2.gz FTPKNBBWUCVJMR-ZLGUVYLKSA-N 1 0 477.959 2.701 20 0 JFADRO COc1ccc(OC)c(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164891603 721441393 /nfs/dbraw/zinc/44/13/93/721441393.db2.gz HIDOTJFNIUOIBR-HFZDXXHNSA-N 1 0 467.614 2.926 20 0 JFADRO COc1ccc(OC)c(-c2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nn2)c1 ZINC001164891606 721441503 /nfs/dbraw/zinc/44/15/03/721441503.db2.gz HIDOTJFNIUOIBR-RLWLMLJZSA-N 1 0 467.614 2.926 20 0 JFADRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)C3)O2)CC1 ZINC001164898423 721441920 /nfs/dbraw/zinc/44/19/20/721441920.db2.gz VYZNTDVKFQFCSR-LEAFIULHSA-N 1 0 491.684 2.569 20 0 JFADRO Cc1nc(COC[C@@H]2CCC[C@]23CN(c2ccc(N4CC[NH+](C)CC4)nn2)CCO3)cs1 ZINC001164785039 721443118 /nfs/dbraw/zinc/44/31/18/721443118.db2.gz RKHGTBYAYOPZOE-CVDCTZTESA-N 1 0 458.632 2.586 20 0 JFADRO Cc1nc(COC[C@H]2CCC[C@@]23CN(c2ccc(N4CC[NH+](C)CC4)nn2)CCO3)cs1 ZINC001164785033 721443125 /nfs/dbraw/zinc/44/31/25/721443125.db2.gz RKHGTBYAYOPZOE-AUSIDOKSSA-N 1 0 458.632 2.586 20 0 JFADRO COc1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nn2)c(OC)c1OC ZINC001164899468 721444391 /nfs/dbraw/zinc/44/43/91/721444391.db2.gz YMSASMCFJLYGGN-DCFHFQCYSA-N 1 0 497.640 2.935 20 0 JFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164788732 721456059 /nfs/dbraw/zinc/45/60/59/721456059.db2.gz TWYGPMIZCMZHGC-GOSISDBHSA-N 1 0 467.010 2.579 20 0 JFADRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164789501 721466861 /nfs/dbraw/zinc/46/68/61/721466861.db2.gz NGDFEJQKORTVGK-HSZRJFAPSA-N 1 0 499.704 2.806 20 0 JFADRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCSCC3)ncn1)CC2 ZINC001164788776 721470121 /nfs/dbraw/zinc/47/01/21/721470121.db2.gz KKCQXPCXFBANON-NRFANRHFSA-N 1 0 461.676 2.764 20 0 JFADRO CCS(=O)(=O)c1ccnc(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)c1 ZINC001164788769 721474053 /nfs/dbraw/zinc/47/40/53/721474053.db2.gz KDIXACLQBBXZLH-HXUWFJFHSA-N 1 0 451.633 2.609 20 0 JFADRO Cc1sc2nc(CN3CCOCC3)nc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)c2c1C ZINC001164793689 721484706 /nfs/dbraw/zinc/48/47/06/721484706.db2.gz XRXPHVOYNUDCRW-ZCNNSNEGSA-N 1 0 495.653 2.693 20 0 JFADRO c1csc(N2[C@@H]3CCN(c4ccc(C[NH+]5CCCC5)cn4)C[C@@H]3C[C@H]2Cn2cncn2)n1 ZINC001164899935 721495010 /nfs/dbraw/zinc/49/50/10/721495010.db2.gz MJQDECWAVVZBMU-PCCBWWKXSA-N 1 0 450.616 2.899 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cc(Cl)nc(-c4cccnc4)n2)CC3)CC1 ZINC001164797826 721518240 /nfs/dbraw/zinc/51/82/40/721518240.db2.gz OMLRCHKZXAXPDR-UHFFFAOYSA-N 1 0 474.947 2.701 20 0 JFADRO C[NH+]1CCN(Cc2cn3c(n2)CN([C@H](F)Oc2cccc(-c4ccc(Cl)nn4)c2)CC3)CC1 ZINC001164796488 721520768 /nfs/dbraw/zinc/52/07/68/721520768.db2.gz ZFGQNXLOHNSMMF-QHCPKHFHSA-N 1 0 471.968 2.889 20 0 JFADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904675 721541709 /nfs/dbraw/zinc/54/17/09/721541709.db2.gz FXRNUNGTGPYYSU-RDJZCZTQSA-N 1 0 474.924 2.524 20 0 JFADRO CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904678 721541901 /nfs/dbraw/zinc/54/19/01/721541901.db2.gz FXRNUNGTGPYYSU-WBVHZDCISA-N 1 0 474.924 2.524 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1C ZINC001164906601 721550624 /nfs/dbraw/zinc/55/06/24/721550624.db2.gz KFAHIRZPLDXBDD-HOCLYGCPSA-N 1 0 459.909 2.889 20 0 JFADRO CCOC(=O)c1cnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1C(=O)OCC ZINC001164908711 721568164 /nfs/dbraw/zinc/56/81/64/721568164.db2.gz RSTPKKBRYMEBJJ-PKOBYXMFSA-N 1 0 457.502 2.916 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nn2)CC1 ZINC001164907389 721712989 /nfs/dbraw/zinc/71/29/89/721712989.db2.gz RKKBWYKQPAOQIY-DEOSSOPVSA-N 1 0 486.567 2.999 20 0 JFADRO CC(C)NS(=O)(=O)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164907043 721724318 /nfs/dbraw/zinc/72/43/18/721724318.db2.gz PWNRFLVWIVZUDY-NRFANRHFSA-N 1 0 465.570 2.901 20 0 JFADRO CC[C@@H]1C(=O)N(C)c2cnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)nc2N1C1CCCC1 ZINC001165011581 721737929 /nfs/dbraw/zinc/73/79/29/721737929.db2.gz RQRGWLALNGJZNP-HXUWFJFHSA-N 1 0 483.661 2.504 20 0 JFADRO COc1ccc(CN(C)c2ccnc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)n2)cc1 ZINC001165012871 721749130 /nfs/dbraw/zinc/74/91/30/721749130.db2.gz PZWQWSMTKWCPBU-UHFFFAOYSA-N 1 0 452.603 2.645 20 0 JFADRO COC(=O)C1CCN(c2ccc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)nn2)CC1 ZINC001165026437 721817135 /nfs/dbraw/zinc/81/71/35/721817135.db2.gz QGIWMAVCEMJPHE-MDNUFGMLSA-N 1 0 464.614 2.998 20 0 JFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@H]21 ZINC001165025096 721823802 /nfs/dbraw/zinc/82/38/02/721823802.db2.gz LPOASMLFWLGZSW-UEVCKROQSA-N 1 0 455.628 2.998 20 0 JFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(S(=O)(=O)N4CCCC4)cn3)C[C@@H]21 ZINC001165025094 721824017 /nfs/dbraw/zinc/82/40/17/721824017.db2.gz LPOASMLFWLGZSW-AJSBUHFISA-N 1 0 455.628 2.998 20 0 JFADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C(=O)NC4CCOCC4)nn3)C[C@@H]21 ZINC001165021424 721826975 /nfs/dbraw/zinc/82/69/75/721826975.db2.gz FPLBXCHTQDTMQW-AVCGJXAMSA-N 1 0 450.587 2.517 20 0 JFADRO COC(=O)c1nc2cnccc2c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165022796 721842208 /nfs/dbraw/zinc/84/22/08/721842208.db2.gz UWGULLGIQFNBNS-UHFFFAOYSA-N 1 0 451.527 2.929 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(CN3C(=O)CCC3=O)cn2)CC1 ZINC001165021203 721842512 /nfs/dbraw/zinc/84/25/12/721842512.db2.gz HPZGIRMJBPLLJH-UHFFFAOYSA-N 1 0 452.555 2.849 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ccc2S(N)(=O)=O)CC1 ZINC001165031204 721844492 /nfs/dbraw/zinc/84/44/92/721844492.db2.gz XWQUZWFQSMRANB-UHFFFAOYSA-N 1 0 454.980 2.500 20 0 JFADRO COc1cc(OC)nc(CN2CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)n1 ZINC001165028502 721847143 /nfs/dbraw/zinc/84/71/43/721847143.db2.gz BCSAZVOMAQHMFD-UHFFFAOYSA-N 1 0 460.582 2.769 20 0 JFADRO COC(=O)C1CCN(c2nccnc2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)CC1 ZINC001164955858 722020210 /nfs/dbraw/zinc/02/02/10/722020210.db2.gz PRGQGTSJJJXMLT-UHFFFAOYSA-N 1 0 450.587 2.754 20 0 JFADRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(c2ccc(N4CC[NH+](C)CC4)nn2)C3)n1 ZINC001164965011 722025897 /nfs/dbraw/zinc/02/58/97/722025897.db2.gz YYYCVBGXQPNLES-RDGATRHJSA-N 1 0 452.603 2.524 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164960314 722047974 /nfs/dbraw/zinc/04/79/74/722047974.db2.gz UWTJFXZNWFOYAW-XQBPLPMBSA-N 1 0 495.624 2.824 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)[nH]1 ZINC001164964302 722057305 /nfs/dbraw/zinc/05/73/05/722057305.db2.gz UOUJKFAVSWWPRY-UHFFFAOYSA-N 1 0 470.961 2.912 20 0 JFADRO Cn1ccnc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H]2CCCO[C@@H]12 ZINC001164974475 722093932 /nfs/dbraw/zinc/09/39/32/722093932.db2.gz DNMLSJCNFZPPLK-QRVBRYPASA-N 1 0 492.958 2.556 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982720 722101402 /nfs/dbraw/zinc/10/14/02/722101402.db2.gz OCISFHDGSSMFEO-SJLPKXTDSA-N 1 0 481.931 2.974 20 0 JFADRO c1cc2nc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980703 722105433 /nfs/dbraw/zinc/10/54/33/722105433.db2.gz JYDSZVHWVMTBDF-TZIWHRDSSA-N 1 0 466.611 2.650 20 0 JFADRO FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982853 722105791 /nfs/dbraw/zinc/10/57/91/722105791.db2.gz PNCOLPXCWSSEOS-OALUTQOASA-N 1 0 494.974 2.634 20 0 JFADRO COC(=O)c1c[nH]c2nc(Cl)nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164976130 722137691 /nfs/dbraw/zinc/13/76/91/722137691.db2.gz HJPPWULXDOUWGA-DOTOQJQBSA-N 1 0 456.934 2.520 20 0 JFADRO O=C(Nc1nncs1)c1cnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982114 722145766 /nfs/dbraw/zinc/14/57/66/722145766.db2.gz RDQIEKHXINRYAY-QFBILLFUSA-N 1 0 486.001 2.961 20 0 JFADRO O=C(Nc1nncs1)c1cnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982107 722145844 /nfs/dbraw/zinc/14/58/44/722145844.db2.gz RDQIEKHXINRYAY-APWZRJJASA-N 1 0 486.001 2.961 20 0 JFADRO CCc1cc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc(N2CCOCC2)[nH+]1 ZINC001164986580 722184119 /nfs/dbraw/zinc/18/41/19/722184119.db2.gz DRMPSCDHMPNSSN-RTWAWAEBSA-N 1 0 458.632 2.510 20 0 JFADRO Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]2C1 ZINC001165005657 722245184 /nfs/dbraw/zinc/24/51/84/722245184.db2.gz VKIVDGLNDHKNBE-UWJYYQICSA-N 1 0 491.970 2.973 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1ncn3[C@H]1CCCCO1)CCC2 ZINC001165001631 722253274 /nfs/dbraw/zinc/25/32/74/722253274.db2.gz DPBFXFPJAOVFCL-GOSISDBHSA-N 1 0 474.997 2.864 20 0 JFADRO CC[C@H]1C(=O)Nc2cnc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2N1C1CCCC1 ZINC001165001565 722253413 /nfs/dbraw/zinc/25/34/13/722253413.db2.gz BWEZCZRLLDKYEZ-NRFANRHFSA-N 1 0 482.633 2.641 20 0 JFADRO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165001483 722254173 /nfs/dbraw/zinc/25/41/73/722254173.db2.gz ACSFMNOTGNCTCG-UHFFFAOYSA-N 1 0 457.362 2.645 20 0 JFADRO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1 ZINC001165001547 722255575 /nfs/dbraw/zinc/25/55/75/722255575.db2.gz BKGDHBQCSCKBJP-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO Cc1sc2nc(CN3CCOCC3)nc(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2c1C ZINC001165004145 722256327 /nfs/dbraw/zinc/25/63/27/722256327.db2.gz NUBFTAWZEXVNHN-UHFFFAOYSA-N 1 0 499.685 2.825 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001165006643 722270678 /nfs/dbraw/zinc/27/06/78/722270678.db2.gz PKJZORKIFKIXTC-RUZDIDTESA-N 1 0 453.562 2.527 20 0 JFADRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Cc2cccc(OCC(=O)NC)c2)CC1 ZINC001264833282 1059700105 /nfs/dbraw/zinc/70/01/05/1059700105.db2.gz LOKROMNYHIGDTL-GOSISDBHSA-N 1 0 456.562 2.512 20 0 JFADRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H](F)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cc21 ZINC001264843107 1059702988 /nfs/dbraw/zinc/70/29/88/1059702988.db2.gz GBEVUCOCZJAWRX-KDOFPFPSSA-N 1 0 450.511 2.690 20 0 JFADRO COc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)nc1I ZINC001264874337 1059712898 /nfs/dbraw/zinc/71/28/98/1059712898.db2.gz UPFUNJQZYJZYBL-ZDUSSCGKSA-N 1 0 451.308 2.871 20 0 JFADRO C[C@H](NC(=O)c1nn2c(c1Br)CCC2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001264891192 1059718937 /nfs/dbraw/zinc/71/89/37/1059718937.db2.gz VHEWYTSKGWUSRR-ZDUSSCGKSA-N 1 0 450.356 2.974 20 0 JFADRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccccc3S(=O)(=O)C(F)F)cc2)C1 ZINC001264894820 1059720317 /nfs/dbraw/zinc/72/03/17/1059720317.db2.gz YUISVFGOEHHAFD-HNNXBMFYSA-N 1 0 451.495 2.633 20 0 JFADRO O=C(Cc1cccc(F)c1)NCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001264914197 1059725897 /nfs/dbraw/zinc/72/58/97/1059725897.db2.gz BNRXPRFDONUOGH-FGZHOGPDSA-N 1 0 466.582 2.973 20 0 JFADRO CC(C)c1nc(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)nn1-c1cccc(F)c1 ZINC001264936472 1059732644 /nfs/dbraw/zinc/73/26/44/1059732644.db2.gz QUFKTNAWHAYKFP-UHFFFAOYSA-N 1 0 452.534 2.751 20 0 JFADRO Cc1sc(Br)nc1C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001265063120 1059758933 /nfs/dbraw/zinc/75/89/33/1059758933.db2.gz GDNICKMNWWAPHR-HNNXBMFYSA-N 1 0 451.390 2.841 20 0 JFADRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCc3ccc4c(c3)OC(F)(F)O4)c2)C1 ZINC001265063819 1059759769 /nfs/dbraw/zinc/75/97/69/1059759769.db2.gz QUJSKTKNYKNLJU-IBGZPJMESA-N 1 0 459.493 2.954 20 0 JFADRO CO[C@@H]1CCC[C@H]1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001265133831 1059776757 /nfs/dbraw/zinc/77/67/57/1059776757.db2.gz YKKOQYNHLDPXSP-UYAOXDASSA-N 1 0 456.400 2.979 20 0 JFADRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC001265212304 1059795821 /nfs/dbraw/zinc/79/58/21/1059795821.db2.gz VKPOSMQMTQUFGT-CRICUBBOSA-N 1 0 452.530 2.935 20 0 JFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC001265437103 1059860075 /nfs/dbraw/zinc/86/00/75/1059860075.db2.gz VZDDAHOINOLADW-OAHLLOKOSA-N 1 0 459.344 2.601 20 0 JFADRO Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001265482141 1059869920 /nfs/dbraw/zinc/86/99/20/1059869920.db2.gz HNRYYCPZTZWZGR-GOSISDBHSA-N 1 0 454.575 2.645 20 0 JFADRO CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001265498304 1059873247 /nfs/dbraw/zinc/87/32/47/1059873247.db2.gz VDAABIWKXBKHOL-PZJWPPBQSA-N 1 0 458.603 2.750 20 0 JFADRO C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1=O ZINC001265581255 1059890714 /nfs/dbraw/zinc/89/07/14/1059890714.db2.gz UJHRHWCEDUXYIG-OPAMFIHVSA-N 1 0 450.942 2.627 20 0 JFADRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)C1 ZINC001265809645 1059929021 /nfs/dbraw/zinc/92/90/21/1059929021.db2.gz CBZFVAGODZODFC-NRFANRHFSA-N 1 0 451.633 2.824 20 0 JFADRO CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001265847264 1059935497 /nfs/dbraw/zinc/93/54/97/1059935497.db2.gz KMKADQMKSBKHFU-AUSIDOKSSA-N 1 0 453.624 2.800 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(Cl)s3)nc2)CC1 ZINC001265904299 1059942386 /nfs/dbraw/zinc/94/23/86/1059942386.db2.gz RMCRLAUHFFIPHJ-UHFFFAOYSA-N 1 0 457.021 2.880 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001299747756 1059952604 /nfs/dbraw/zinc/95/26/04/1059952604.db2.gz JSYLWKBJFBKGPN-DNVJHFABSA-N 1 0 467.680 2.761 20 0 JFADRO CC(C)(C)OC(=O)NCCN(CC(=O)Nc1ccc2c(c1)C(=O)NCC2)Cc1ccccc1 ZINC001266242145 1059977677 /nfs/dbraw/zinc/97/76/77/1059977677.db2.gz LRNGHIIOBNNRRO-UHFFFAOYSA-N 1 0 452.555 2.938 20 0 JFADRO CC(=O)c1ccc(N2CCN(c3nnc(C4CCC4)n3CCOCC[NH+](C)C)CC2)c(F)c1 ZINC001286836228 1061089303 /nfs/dbraw/zinc/08/93/03/1061089303.db2.gz FMXOCIYRPKUYOE-UHFFFAOYSA-N 1 0 458.582 2.792 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001286840185 1061099631 /nfs/dbraw/zinc/09/96/31/1061099631.db2.gz HRTNJDFZHBDEDG-UHFFFAOYSA-N 1 0 492.466 2.978 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001286840555 1061101682 /nfs/dbraw/zinc/10/16/82/1061101682.db2.gz HEMGAYASYNTFHE-UHFFFAOYSA-N 1 0 458.582 2.642 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286841293 1061106288 /nfs/dbraw/zinc/10/62/88/1061106288.db2.gz LTJFKCZSYQUHQN-UGKGYDQZSA-N 1 0 458.582 2.671 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286841291 1061106406 /nfs/dbraw/zinc/10/64/06/1061106406.db2.gz LTJFKCZSYQUHQN-SIKLNZKXSA-N 1 0 458.582 2.671 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001286842378 1061114603 /nfs/dbraw/zinc/11/46/03/1061114603.db2.gz UCEBHTIGQQTZRU-UHFFFAOYSA-N 1 0 460.667 2.959 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286843074 1061119359 /nfs/dbraw/zinc/11/93/59/1061119359.db2.gz FNRXPVWVEXAXIQ-IBGZPJMESA-N 1 0 474.675 2.878 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286844270 1061130828 /nfs/dbraw/zinc/13/08/28/1061130828.db2.gz DTZBFNVVTXZHAA-IEBWSBKVSA-N 1 0 450.591 2.590 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001286844626 1061135113 /nfs/dbraw/zinc/13/51/13/1061135113.db2.gz CBLMEEJCNDVGNP-MOPGFXCFSA-N 1 0 496.641 2.594 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnccn3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001286847249 1061156315 /nfs/dbraw/zinc/15/63/15/1061156315.db2.gz AWBWBBNBZMASRH-HXUWFJFHSA-N 1 0 454.623 2.694 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001286849520 1061173434 /nfs/dbraw/zinc/17/34/34/1061173434.db2.gz CWJOBEBFYZHCAW-XMMPIXPASA-N 1 0 461.614 2.701 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001286851282 1061182865 /nfs/dbraw/zinc/18/28/65/1061182865.db2.gz RZHUDNNSWLACHK-AKIFATBCSA-N 1 0 460.667 2.987 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccc(Cl)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286851840 1061185258 /nfs/dbraw/zinc/18/52/58/1061185258.db2.gz OMJPVGGISQQINI-OAQYLSRUSA-N 1 0 489.064 2.938 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001286852975 1061193162 /nfs/dbraw/zinc/19/31/62/1061193162.db2.gz VWNOFVYYKYWJTK-WMZOPIPTSA-N 1 0 460.573 2.934 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286854652 1061204489 /nfs/dbraw/zinc/20/44/89/1061204489.db2.gz OLWSOSBCIMDYSZ-WSWWRLHASA-N 1 0 460.667 2.842 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001286854695 1061205106 /nfs/dbraw/zinc/20/51/06/1061205106.db2.gz PHWWTPGSQQLGLW-IBGZPJMESA-N 1 0 458.582 2.785 20 0 JFADRO Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@@H](C)[NH+](C)C)cc1Br ZINC001289578202 1061224780 /nfs/dbraw/zinc/22/47/80/1061224780.db2.gz URNBGAKYLGYIIO-QVKFZJNVSA-N 1 0 461.408 2.683 20 0 JFADRO CC(=O)N1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001286862049 1061233637 /nfs/dbraw/zinc/23/36/37/1061233637.db2.gz LSIWBLGFEGCPRL-RUZDIDTESA-N 1 0 476.666 2.642 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[N@@H+](C4CCCC4)CC3)n2CC(=O)NCC(F)(F)F)o1 ZINC001289592450 1061233859 /nfs/dbraw/zinc/23/38/59/1061233859.db2.gz MOSXTEUIXDNYHX-UHFFFAOYSA-N 1 0 454.497 2.980 20 0 JFADRO Cc1ccc(-c2nnc(N3CCCN(Cc4noc(C)n4)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001289592516 1061234548 /nfs/dbraw/zinc/23/45/48/1061234548.db2.gz NQBLAYXETWFHBC-UHFFFAOYSA-N 1 0 456.595 2.981 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CCCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC001289593357 1061234991 /nfs/dbraw/zinc/23/49/91/1061234991.db2.gz BGMMODSTGGKCTD-FQEVSTJZSA-N 1 0 499.660 2.674 20 0 JFADRO CC(=O)N1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001286862611 1061235542 /nfs/dbraw/zinc/23/55/42/1061235542.db2.gz PPCLUZGOUMBCER-VWLOTQADSA-N 1 0 476.666 2.642 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc(C)s4)CC3)n2CCOCC[NH+](C)C)o1 ZINC001289595115 1061238007 /nfs/dbraw/zinc/23/80/07/1061238007.db2.gz WCRUPFCPEAWJIB-UHFFFAOYSA-N 1 0 472.615 2.757 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(CC(F)(F)F)[C@@H](C)C3)n2CCC[NH+]2CCC(O)CC2)o1 ZINC001289600441 1061244853 /nfs/dbraw/zinc/24/48/53/1061244853.db2.gz LGVOTCOITRKYPX-INIZCTEOSA-N 1 0 470.540 2.766 20 0 JFADRO CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286866246 1061247740 /nfs/dbraw/zinc/24/77/40/1061247740.db2.gz BNLKZTOSBCCYSD-NHCUHLMSSA-N 1 0 484.693 2.956 20 0 JFADRO Cc1ccc(-c2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CCC(=O)N2CCCCC2)o1 ZINC001289602432 1061248705 /nfs/dbraw/zinc/24/87/05/1061248705.db2.gz RQZLSXLTHAWZDM-UHFFFAOYSA-N 1 0 458.607 2.796 20 0 JFADRO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001286866522 1061249141 /nfs/dbraw/zinc/24/91/41/1061249141.db2.gz CCRTVRZGWHTRQW-NRFANRHFSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(-c2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC001289606400 1061251769 /nfs/dbraw/zinc/25/17/69/1061251769.db2.gz APVFUBPNPJEIHX-HXUWFJFHSA-N 1 0 461.607 2.712 20 0 JFADRO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001286867663 1061253970 /nfs/dbraw/zinc/25/39/70/1061253970.db2.gz SVZYLSYDVDMXMZ-PQNGQFLHSA-N 1 0 495.672 2.774 20 0 JFADRO Cc1ccc([C@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC001289615046 1061255853 /nfs/dbraw/zinc/25/58/53/1061255853.db2.gz AEBNIIUOIURBQL-LJQANCHMSA-N 1 0 457.623 2.685 20 0 JFADRO Cc1ccc([C@@H]2CCCN2c2nnc(C(=O)NC(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC001289615040 1061255909 /nfs/dbraw/zinc/25/59/09/1061255909.db2.gz AEBNIIUOIURBQL-IBGZPJMESA-N 1 0 457.623 2.685 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3CCCOc3ccc(C)cc3)C[C@@H]2C)CC1 ZINC001286868515 1061257938 /nfs/dbraw/zinc/25/79/38/1061257938.db2.gz BFEWUJWDKFXDLM-RDPSFJRHSA-N 1 0 454.619 2.743 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C)CC1 ZINC001286868929 1061259756 /nfs/dbraw/zinc/25/97/56/1061259756.db2.gz CRFXISLRXZZIMV-HRAATJIYSA-N 1 0 480.535 2.912 20 0 JFADRO CC(=O)N1CCCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286869436 1061262105 /nfs/dbraw/zinc/26/21/05/1061262105.db2.gz XIOCCPFRCQBIMU-FQEVSTJZSA-N 1 0 491.681 2.997 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC001286870642 1061267168 /nfs/dbraw/zinc/26/71/68/1061267168.db2.gz DFDMGSZVPLNVCW-CPJSRVTESA-N 1 0 476.666 2.640 20 0 JFADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)[NH+]2CCCC2)o1 ZINC001289634347 1061267675 /nfs/dbraw/zinc/26/76/75/1061267675.db2.gz DHGMYHOJUGTGGJ-PKOBYXMFSA-N 1 0 476.603 2.856 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@H]2C)CC1 ZINC001286870821 1061267861 /nfs/dbraw/zinc/26/78/61/1061267861.db2.gz KNCBXTSSONRKQR-YLJYHZDGSA-N 1 0 477.057 2.505 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCSCC(C)C)C[C@H]2C)CC1 ZINC001286870917 1061269198 /nfs/dbraw/zinc/26/91/98/1061269198.db2.gz LSJHOUULSFXBSW-CEMLEFRQSA-N 1 0 478.707 2.550 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CCc3csc(C)n3)C[C@H]2C)CC1 ZINC001286871451 1061273261 /nfs/dbraw/zinc/27/32/61/1061273261.db2.gz OKVVKZRRDBYKQF-XMSQKQJNSA-N 1 0 473.691 2.863 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@H]2C)CC1 ZINC001286872371 1061277894 /nfs/dbraw/zinc/27/78/94/1061277894.db2.gz UYFVKNMTXBDGCZ-KNQAVFIVSA-N 1 0 453.635 2.592 20 0 JFADRO Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC001289655571 1061277993 /nfs/dbraw/zinc/27/79/93/1061277993.db2.gz LRSWFKPPDJLEQS-UHFFFAOYSA-N 1 0 495.672 2.592 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CC3(C)CCOCC3)C[C@H]2C)CC1 ZINC001286872539 1061278833 /nfs/dbraw/zinc/27/88/33/1061278833.db2.gz WAAGZZPEMODFQN-TZIWHRDSSA-N 1 0 460.667 2.771 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@@H]2C)CC1 ZINC001286872723 1061279874 /nfs/dbraw/zinc/27/98/74/1061279874.db2.gz XFYUPFWGTLESQA-LAUBAEHRSA-N 1 0 459.664 2.753 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@](C)(O)c3ccsc3)C[C@@H]2C)CC1 ZINC001286872767 1061280904 /nfs/dbraw/zinc/28/09/04/1061280904.db2.gz XQVYOALHGMXOHD-SWHJIRTISA-N 1 0 488.702 2.825 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[C@H]3CCOC3)C[C@@H]2C)CC1 ZINC001286872805 1061281879 /nfs/dbraw/zinc/28/18/79/1061281879.db2.gz YJPMGICZMGHKCR-ILWGZMRPSA-N 1 0 460.667 2.672 20 0 JFADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001289662301 1061282746 /nfs/dbraw/zinc/28/27/46/1061282746.db2.gz LNXWWSJFPRXYSM-NZQKXSOJSA-N 1 0 497.669 2.598 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3cccc(O)c3)C[C@@H]2C)CC1 ZINC001286872950 1061283198 /nfs/dbraw/zinc/28/31/98/1061283198.db2.gz ZEWBJKJCNJRTFR-WMZHIEFXSA-N 1 0 468.646 3.000 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001286873102 1061284314 /nfs/dbraw/zinc/28/43/14/1061284314.db2.gz BKCAWYKXRNDDTC-LJQANCHMSA-N 1 0 479.398 2.855 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001286873126 1061284841 /nfs/dbraw/zinc/28/48/41/1061284841.db2.gz BSQAWTHMZYVRFI-QGZVFWFLSA-N 1 0 492.466 2.979 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286873391 1061286167 /nfs/dbraw/zinc/28/61/67/1061286167.db2.gz ZNIATKMTGIEYEI-CUNXSJBXSA-N 1 0 498.672 2.898 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)C[NH+]2CCCC2)[C@H](C)C1 ZINC001286874444 1061289324 /nfs/dbraw/zinc/28/93/24/1061289324.db2.gz QVQVKEMIOOCUDK-HZPDHXFCSA-N 1 0 478.439 2.825 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286877630 1061295944 /nfs/dbraw/zinc/29/59/44/1061295944.db2.gz YODNVPRAWQBUHR-KRWDZBQOSA-N 1 0 492.043 2.821 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001286882444 1061310410 /nfs/dbraw/zinc/31/04/10/1061310410.db2.gz GVULRLSKHIZGDP-NRFANRHFSA-N 1 0 454.619 2.956 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC001286882785 1061310780 /nfs/dbraw/zinc/31/07/80/1061310780.db2.gz IZDDBYPMWZCNBN-LEWJYISDSA-N 1 0 454.619 2.954 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](C)[NH+](C)C)CC2)cc1 ZINC001289700335 1061311778 /nfs/dbraw/zinc/31/17/78/1061311778.db2.gz GPEFKKVTUTWTCM-OFNKIYASSA-N 1 0 468.646 2.963 20 0 JFADRO CC(=O)N1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCOC(C)C)[C@H](C)C1 ZINC001286884053 1061316718 /nfs/dbraw/zinc/31/67/18/1061316718.db2.gz BMOPMSBPYQNHPZ-HSZRJFAPSA-N 1 0 497.688 2.515 20 0 JFADRO Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001289706914 1061317474 /nfs/dbraw/zinc/31/74/74/1061317474.db2.gz ZHIZXLKZTRFUOZ-DENIHFKCSA-N 1 0 472.609 2.809 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001286884478 1061318912 /nfs/dbraw/zinc/31/89/12/1061318912.db2.gz PYQSCRRGIJLALL-QGZVFWFLSA-N 1 0 459.664 2.955 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)[C@H](C)C1 ZINC001286884549 1061319229 /nfs/dbraw/zinc/31/92/29/1061319229.db2.gz ULLJKTXZTUMXEH-VWNXMTODSA-N 1 0 498.672 2.888 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)cc1C ZINC001289714465 1061321981 /nfs/dbraw/zinc/32/19/81/1061321981.db2.gz IJTMJZRUEHQUKP-UHFFFAOYSA-N 1 0 497.688 2.595 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H](C)C1 ZINC001286884974 1061322056 /nfs/dbraw/zinc/32/20/56/1061322056.db2.gz SLISJZGQEUZBHI-FXAWDEMLSA-N 1 0 459.664 2.811 20 0 JFADRO Cc1ccc(N2CCN(c3nnc(C(C)(C)C)n3CCCC[N@@H+]3CCC[C@@H]3CO)CC2=O)cc1 ZINC001289716629 1061324469 /nfs/dbraw/zinc/32/44/69/1061324469.db2.gz OCCLFFWRLDCIPC-JOCHJYFZSA-N 1 0 468.646 2.974 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001286885707 1061324830 /nfs/dbraw/zinc/32/48/30/1061324830.db2.gz NBXCSABMUNGNFS-OAQYLSRUSA-N 1 0 478.645 2.938 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001286886372 1061328940 /nfs/dbraw/zinc/32/89/40/1061328940.db2.gz ZUBGJBSAGDZNNE-JOCHJYFZSA-N 1 0 484.645 2.643 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@H]2CCC[N@@H+]2CCCO)cc1C ZINC001289726392 1061334183 /nfs/dbraw/zinc/33/41/83/1061334183.db2.gz RBDCLDCYXBCYHZ-HSZRJFAPSA-N 1 0 484.645 2.857 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)[C@@H](C)C1 ZINC001286887352 1061335800 /nfs/dbraw/zinc/33/58/00/1061335800.db2.gz BQGALYLYPGMGRH-IBGZPJMESA-N 1 0 458.582 2.929 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286887466 1061336569 /nfs/dbraw/zinc/33/65/69/1061336569.db2.gz RNTWRFMIRYQLQG-ACIOBRDBSA-N 1 0 459.683 2.511 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CCN3CCOC(C)(C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289727682 1061336811 /nfs/dbraw/zinc/33/68/11/1061336811.db2.gz RROIHQMOYWJYIE-HXUWFJFHSA-N 1 0 471.650 2.644 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC001289727895 1061337171 /nfs/dbraw/zinc/33/71/71/1061337171.db2.gz VEXSWVHILPBIMT-HXUWFJFHSA-N 1 0 481.645 2.840 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289728899 1061338427 /nfs/dbraw/zinc/33/84/27/1061338427.db2.gz JUZURIJJILMMMJ-UXHICEINSA-N 1 0 467.618 2.579 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC001286887861 1061338989 /nfs/dbraw/zinc/33/89/89/1061338989.db2.gz HAOPDTRDASTTFQ-OHUMZHCVSA-N 1 0 490.693 2.755 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289730573 1061340600 /nfs/dbraw/zinc/34/06/00/1061340600.db2.gz VQPTXZPZMQDFBM-SJORKVTESA-N 1 0 495.550 2.602 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286888708 1061342718 /nfs/dbraw/zinc/34/27/18/1061342718.db2.gz QCDLWIYHFMJCPC-AABGKKOBSA-N 1 0 488.608 2.553 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC001286888709 1061342798 /nfs/dbraw/zinc/34/27/98/1061342798.db2.gz QCDLWIYHFMJCPC-AQNXPRMDSA-N 1 0 488.608 2.553 20 0 JFADRO CC(=O)N1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC001286888729 1061343110 /nfs/dbraw/zinc/34/31/10/1061343110.db2.gz QMYVGBVJNZLVDL-NRFANRHFSA-N 1 0 499.729 2.962 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCCC2)cc1C ZINC001289734725 1061345504 /nfs/dbraw/zinc/34/55/04/1061345504.db2.gz CETLNPKHEZFUFT-FQEVSTJZSA-N 1 0 488.658 2.645 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2NC(=O)CC2(C)C)cc1C ZINC001289739707 1061353576 /nfs/dbraw/zinc/35/35/76/1061353576.db2.gz KGOSNFZKDZLIOJ-OAQYLSRUSA-N 1 0 481.645 2.982 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+](C(C)C)C(C)C)cc1C ZINC001289740642 1061354534 /nfs/dbraw/zinc/35/45/34/1061354534.db2.gz UNVGWPBPVSCZCP-HXUWFJFHSA-N 1 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466.590 2.860 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001289747104 1061366131 /nfs/dbraw/zinc/36/61/31/1061366131.db2.gz GNFFDAOHLLJWET-LJQANCHMSA-N 1 0 463.590 2.634 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289748042 1061367436 /nfs/dbraw/zinc/36/74/36/1061367436.db2.gz WNCKLUBJIMUQCI-PMAPCBKXSA-N 1 0 458.632 2.544 20 0 JFADRO CC(=O)Nc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC001286894938 1061373758 /nfs/dbraw/zinc/37/37/58/1061373758.db2.gz LHKBDACIUYYOMW-UHFFFAOYSA-N 1 0 469.634 2.817 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001286896399 1061379496 /nfs/dbraw/zinc/37/94/96/1061379496.db2.gz DBUSGTZPBQGLGE-HWELCPFYSA-N 1 0 496.660 2.929 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286897976 1061384136 /nfs/dbraw/zinc/38/41/36/1061384136.db2.gz UPKVAQCTIYQXLF-RVEPMOMFSA-N 1 0 496.660 2.929 20 0 JFADRO O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001289762273 1061384380 /nfs/dbraw/zinc/38/43/80/1061384380.db2.gz OAKSHCIJCZBVSX-UHFFFAOYSA-N 1 0 457.328 2.615 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cc(C)ccc1OC(F)F ZINC001289766440 1061387475 /nfs/dbraw/zinc/38/74/75/1061387475.db2.gz IXJSLMOCRVDUQK-NRFANRHFSA-N 1 0 478.588 2.776 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289775609 1061398384 /nfs/dbraw/zinc/39/83/84/1061398384.db2.gz RZWTUQNXSADLTG-HXUWFJFHSA-N 1 0 484.645 2.501 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286905268 1061418134 /nfs/dbraw/zinc/41/81/34/1061418134.db2.gz ZAIZWMICAWWZPF-RFLLHJHLSA-N 1 0 490.693 2.943 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001286906765 1061430668 /nfs/dbraw/zinc/43/06/68/1061430668.db2.gz GLZUMGLEWITZEQ-FCHUYYIVSA-N 1 0 475.037 2.940 20 0 JFADRO 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CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286910520 1061458049 /nfs/dbraw/zinc/45/80/49/1061458049.db2.gz CWAPXNGIVJFBCS-DENIHFKCSA-N 1 0 456.639 2.509 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(Br)cc3)n2CC[NH+]2CCCC2)C1 ZINC001286913242 1061473147 /nfs/dbraw/zinc/47/31/47/1061473147.db2.gz TWQBMOTUGDHSAO-IBGZPJMESA-N 1 0 491.434 2.820 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H]2C)cc1C ZINC001289818153 1061474296 /nfs/dbraw/zinc/47/42/96/1061474296.db2.gz KOYMAAQHROUUKI-IFMALSPDSA-N 1 0 475.659 2.972 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CCC(=O)NC(C)C)cc1C ZINC001289820461 1061481698 /nfs/dbraw/zinc/48/16/98/1061481698.db2.gz FXPGFCWHOQCADU-HSZRJFAPSA-N 1 0 498.672 2.937 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001286914737 1061486435 /nfs/dbraw/zinc/48/64/35/1061486435.db2.gz LQKSPRSSCYDBPV-ZRCGQRJVSA-N 1 0 470.618 2.872 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(CC(=O)N(C)C)CC3)n2CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC001289824926 1061493315 /nfs/dbraw/zinc/49/33/15/1061493315.db2.gz SCKBTGKTWVEPQK-QHCPKHFHSA-N 1 0 497.688 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCNC(=O)c2ccco2)cc1 ZINC001289825560 1061497666 /nfs/dbraw/zinc/49/76/66/1061497666.db2.gz CHCIYOFFWJHHJC-UHFFFAOYSA-N 1 0 466.586 2.967 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(S(C)(=O)=O)[C@@H](C)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289825726 1061498713 /nfs/dbraw/zinc/49/87/13/1061498713.db2.gz HXWMXPHTOWPJRE-FQEVSTJZSA-N 1 0 492.690 2.532 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286916670 1061500777 /nfs/dbraw/zinc/50/07/77/1061500777.db2.gz PVDGEKIPWYHRPI-SANMLTNESA-N 1 0 484.645 2.556 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCOCC[NH+](C)C)cc1 ZINC001289826852 1061502659 /nfs/dbraw/zinc/50/26/59/1061502659.db2.gz BEPATODEDDXVMF-SFHVURJKSA-N 1 0 457.497 2.511 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCO[C@H](C(C)C)C3)n2CCC[NH+]2CCC(O)CC2)cc1 ZINC001289827766 1061503250 /nfs/dbraw/zinc/50/32/50/1061503250.db2.gz KMZBATBUKZREDD-QHCPKHFHSA-N 1 0 457.619 2.874 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286918266 1061505300 /nfs/dbraw/zinc/50/53/00/1061505300.db2.gz BWSMCGXLZSINFE-HSZRJFAPSA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001286918475 1061506409 /nfs/dbraw/zinc/50/64/09/1061506409.db2.gz GLJIJZPMZGSGKX-XMMPIXPASA-N 1 0 461.614 2.980 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CCOc3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001286918686 1061506855 /nfs/dbraw/zinc/50/68/55/1061506855.db2.gz AUCIQKHGEBNOLA-OYRHEFFESA-N 1 0 484.645 2.504 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1C ZINC001289832997 1061509278 /nfs/dbraw/zinc/50/92/78/1061509278.db2.gz CIEPGQUCQDQONJ-GHTZIAJQSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)NC1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001286919601 1061510218 /nfs/dbraw/zinc/51/02/18/1061510218.db2.gz MMERBTBMACREII-JOCHJYFZSA-N 1 0 451.550 2.887 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286919663 1061510753 /nfs/dbraw/zinc/51/07/53/1061510753.db2.gz KDLXOYHBVUAZTA-XMMPIXPASA-N 1 0 498.672 2.936 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001286920074 1061512582 /nfs/dbraw/zinc/51/25/82/1061512582.db2.gz ZRPBTMUJQNXKSC-FQEVSTJZSA-N 1 0 461.614 2.889 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289836656 1061513212 /nfs/dbraw/zinc/51/32/12/1061513212.db2.gz YPENWBUDIKHJEY-IRLDBZIGSA-N 1 0 454.619 2.777 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001286921254 1061516205 /nfs/dbraw/zinc/51/62/05/1061516205.db2.gz BGOUYZHZAFYYQR-UHFFFAOYSA-N 1 0 458.994 2.877 20 0 JFADRO Cc1ccc(OCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC001289842581 1061517433 /nfs/dbraw/zinc/51/74/33/1061517433.db2.gz SMOXSLVZMOEOLT-LEWJYISDSA-N 1 0 490.674 2.730 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286922064 1061519842 /nfs/dbraw/zinc/51/98/42/1061519842.db2.gz PZJCOIKKGPXKIB-FGZHOGPDSA-N 1 0 496.660 2.646 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286922067 1061520380 /nfs/dbraw/zinc/52/03/80/1061520380.db2.gz PZJCOIKKGPXKIB-VXKWHMMOSA-N 1 0 496.660 2.646 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286923942 1061528300 /nfs/dbraw/zinc/52/83/00/1061528300.db2.gz UEONACUYCSPXEB-AZUAARDMSA-N 1 0 454.623 2.598 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001286923945 1061528439 /nfs/dbraw/zinc/52/84/39/1061528439.db2.gz UEONACUYCSPXEB-UYAOXDASSA-N 1 0 454.623 2.598 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286924319 1061529884 /nfs/dbraw/zinc/52/98/84/1061529884.db2.gz XVRFCLTUVFOYRI-LADGPHEKSA-N 1 0 468.646 2.963 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001286924476 1061530428 /nfs/dbraw/zinc/53/04/28/1061530428.db2.gz ZYWVSBPVRVVLIX-ICSRJNTNSA-N 1 0 456.639 2.542 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001286924604 1061531057 /nfs/dbraw/zinc/53/10/57/1061531057.db2.gz BJGMUAITKIKSLY-DHIUTWEWSA-N 1 0 470.666 2.613 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CC[NH+](CC(C)C)CC2)s1 ZINC001289856008 1061532950 /nfs/dbraw/zinc/53/29/50/1061532950.db2.gz LQCHTVSSRFQBBT-LJQANCHMSA-N 1 0 496.703 2.646 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001286925190 1061534006 /nfs/dbraw/zinc/53/40/06/1061534006.db2.gz DKCWBFIRZHTQSH-UPVQGACJSA-N 1 0 484.645 2.861 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286925318 1061534245 /nfs/dbraw/zinc/53/42/45/1061534245.db2.gz CXPAPJDOHQQZDW-JOCHJYFZSA-N 1 0 484.645 2.629 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3cccc(C)c3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286925319 1061534718 /nfs/dbraw/zinc/53/47/18/1061534718.db2.gz CXPAPJDOHQQZDW-QFIPXVFZSA-N 1 0 484.645 2.629 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286926377 1061538951 /nfs/dbraw/zinc/53/89/51/1061538951.db2.gz HAWQYMASGJJETO-REWPJTCUSA-N 1 0 454.619 2.858 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[NH+]2CCSCC2)cc1 ZINC001289862482 1061544764 /nfs/dbraw/zinc/54/47/64/1061544764.db2.gz HEGQYFXHOKVUJD-GOSISDBHSA-N 1 0 460.673 2.595 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001286928090 1061546927 /nfs/dbraw/zinc/54/69/27/1061546927.db2.gz KTEVNGNVVAVXAT-XUZZJYLKSA-N 1 0 496.635 2.934 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(CCCc3ccccc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286930299 1061554452 /nfs/dbraw/zinc/55/44/52/1061554452.db2.gz RHXCZSKWELFAOR-DEOSSOPVSA-N 1 0 482.673 2.917 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001286930534 1061555537 /nfs/dbraw/zinc/55/55/37/1061555537.db2.gz RQTQTEDHVXQVMX-DEOSSOPVSA-N 1 0 461.614 2.726 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001289875979 1061559167 /nfs/dbraw/zinc/55/91/67/1061559167.db2.gz QSEPCOMDOZIVGV-UHFFFAOYSA-N 1 0 480.704 2.691 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001286932835 1061564039 /nfs/dbraw/zinc/56/40/39/1061564039.db2.gz JWICVSNLGGZQBE-GOSISDBHSA-N 1 0 475.037 2.919 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001286933923 1061567177 /nfs/dbraw/zinc/56/71/77/1061567177.db2.gz BNXGFUKZQNOELR-XMMPIXPASA-N 1 0 486.636 2.717 20 0 JFADRO CC(=O)NCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CC=CCC2)CC1 ZINC001286934254 1061568155 /nfs/dbraw/zinc/56/81/55/1061568155.db2.gz DJJRJSRGLWTRQD-FGZHOGPDSA-N 1 0 458.651 2.811 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2c(C)noc2C)CC[N@@H+]1CCOC ZINC001294095056 1061573411 /nfs/dbraw/zinc/57/34/11/1061573411.db2.gz MQNWGRRQEPSFSW-NRFANRHFSA-N 1 0 453.591 2.854 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)no2)CC[N@@H+]1CCOC ZINC001294096668 1061575391 /nfs/dbraw/zinc/57/53/91/1061575391.db2.gz WDKQSIOBGAHFNG-IBGZPJMESA-N 1 0 459.620 2.916 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(C(C)C)n2CC2CC[NH+](Cc3cccs3)CC2)CCO1 ZINC001286935933 1061575679 /nfs/dbraw/zinc/57/56/79/1061575679.db2.gz AEHOHOFMBBCBIC-FQEVSTJZSA-N 1 0 460.648 2.717 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294099285 1061580124 /nfs/dbraw/zinc/58/01/24/1061580124.db2.gz MHRIYMMFOMXLNY-PIXQIBFHSA-N 1 0 493.693 2.939 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC[NH+]2CCCCC2)CCO1 ZINC001286940333 1061582070 /nfs/dbraw/zinc/58/20/70/1061582070.db2.gz BQFFQESKGFNGBT-FQEVSTJZSA-N 1 0 491.434 2.535 20 0 JFADRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001294102580 1061582151 /nfs/dbraw/zinc/58/21/51/1061582151.db2.gz WTFOONLUKRYXQE-UHFFFAOYSA-N 1 0 454.575 2.807 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCO1 ZINC001286940591 1061583441 /nfs/dbraw/zinc/58/34/41/1061583441.db2.gz CKLAKIVQRAKXNP-DENIHFKCSA-N 1 0 477.613 2.811 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286940609 1061584025 /nfs/dbraw/zinc/58/40/25/1061584025.db2.gz FIDLZXFBOCZBGH-UTKZUKDTSA-N 1 0 461.010 2.672 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001286940668 1061584138 /nfs/dbraw/zinc/58/41/38/1061584138.db2.gz GFNWOQAJNIUXCP-HXUWFJFHSA-N 1 0 461.010 2.814 20 0 JFADRO Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(CC(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001289903507 1061590081 /nfs/dbraw/zinc/59/00/81/1061590081.db2.gz WSZDDVCXEWDVIJ-UHFFFAOYSA-N 1 0 499.729 2.903 20 0 JFADRO Cc1cccc(-c2nnc(N(C)C3CC[NH+](CCn4cccn4)CC3)n2CCC(C)(C)O)n1 ZINC001289910162 1061601514 /nfs/dbraw/zinc/60/15/14/1061601514.db2.gz VKCHUJGANIJLNL-UHFFFAOYSA-N 1 0 452.607 2.607 20 0 JFADRO CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001294136490 1061619787 /nfs/dbraw/zinc/61/97/87/1061619787.db2.gz GUGZKHMCNGDJCL-CBNMVNINSA-N 1 0 482.695 2.502 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286945233 1061621349 /nfs/dbraw/zinc/62/13/49/1061621349.db2.gz WIOULZVGEYGQOW-KNQAVFIVSA-N 1 0 469.634 2.502 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001289931072 1061622325 /nfs/dbraw/zinc/62/23/25/1061622325.db2.gz GIZRWCLIVJSZFP-QFIPXVFZSA-N 1 0 463.630 2.937 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001289932201 1061625798 /nfs/dbraw/zinc/62/57/98/1061625798.db2.gz SCFQRTJCMMHZSH-QHCPKHFHSA-N 1 0 467.593 2.859 20 0 JFADRO CCCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001294140204 1061627336 /nfs/dbraw/zinc/62/73/36/1061627336.db2.gz ZEFFHKWOLREWIV-WOJBJXKFSA-N 1 0 480.654 2.934 20 0 JFADRO Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2C[C@H](C(C)C)[NH+]2CCCC2)n1 ZINC001289938358 1061629063 /nfs/dbraw/zinc/62/90/63/1061629063.db2.gz OVEVFJJBFPGNIK-OAQYLSRUSA-N 1 0 460.648 2.782 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286946194 1061630964 /nfs/dbraw/zinc/63/09/64/1061630964.db2.gz JSBHQQDCVUGIGE-ZILOHOTNSA-N 1 0 468.646 2.639 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001286946186 1061631001 /nfs/dbraw/zinc/63/10/01/1061631001.db2.gz JSBHQQDCVUGIGE-XZDHIHRUSA-N 1 0 468.646 2.639 20 0 JFADRO Cc1cc(F)ccc1-n1cc(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)nn1 ZINC001294147384 1061633357 /nfs/dbraw/zinc/63/33/57/1061633357.db2.gz RRSMLIARCPOSQD-UHFFFAOYSA-N 1 0 456.566 2.559 20 0 JFADRO CSCC[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)N1C(=O)c2ccccc2C1=O ZINC001294152606 1061636473 /nfs/dbraw/zinc/63/64/73/1061636473.db2.gz QMTJNHREZNMFRZ-OAQYLSRUSA-N 1 0 459.612 2.508 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2CC2([NH+](C)C)CCC2)n1 ZINC001289947386 1061637128 /nfs/dbraw/zinc/63/71/28/1061637128.db2.gz GAZPQNBNBBKKOE-INIZCTEOSA-N 1 0 465.524 2.638 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](C)[N@@H+](Cc4ccccc4)CC3)n2CCS(C)(=O)=O)n1 ZINC001289950057 1061642571 /nfs/dbraw/zinc/64/25/71/1061642571.db2.gz FCVTULAWQGLFQD-FQEVSTJZSA-N 1 0 468.627 2.794 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](CN4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289950538 1061643622 /nfs/dbraw/zinc/64/36/22/1061643622.db2.gz GYPUZUYUODCYPC-VXKWHMMOSA-N 1 0 455.651 2.783 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCC(=O)NC(C)(C)C)n1 ZINC001289954477 1061649509 /nfs/dbraw/zinc/64/95/09/1061649509.db2.gz MIXQREUDYSIAOR-OAQYLSRUSA-N 1 0 482.677 2.558 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001294164425 1061654027 /nfs/dbraw/zinc/65/40/27/1061654027.db2.gz MOEACDARHBRSKB-UHFFFAOYSA-N 1 0 494.644 2.662 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CSc3ccc(Cl)cc3)n2CC[N@@H+](C)C(C)C)CCO1 ZINC001286948247 1061656383 /nfs/dbraw/zinc/65/63/83/1061656383.db2.gz VAVOAHGFVZKWHL-LJQANCHMSA-N 1 0 481.066 2.905 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001286948577 1061661655 /nfs/dbraw/zinc/66/16/55/1061661655.db2.gz SUECKZZGWZLOFV-HSZRJFAPSA-N 1 0 468.646 2.641 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCO1 ZINC001286948672 1061661772 /nfs/dbraw/zinc/66/17/72/1061661772.db2.gz ZYPLIZPXZTXWSQ-TZBSWOFLSA-N 1 0 498.672 2.875 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001286948769 1061662776 /nfs/dbraw/zinc/66/27/76/1061662776.db2.gz WGEIOPLZLKZIRA-FYYLOGMGSA-N 1 0 489.064 2.984 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CCO1 ZINC001286948772 1061663937 /nfs/dbraw/zinc/66/39/37/1061663937.db2.gz WGEIOPLZLKZIRA-JTHBVZDNSA-N 1 0 489.064 2.984 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001294172858 1061676154 /nfs/dbraw/zinc/67/61/54/1061676154.db2.gz FEDDBSIWCXVDBW-NHCUHLMSSA-N 1 0 473.666 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC(=O)NCC(F)(F)F)n1 ZINC001289972423 1061679909 /nfs/dbraw/zinc/67/99/09/1061679909.db2.gz LPRQTFVGOKIUIE-UHFFFAOYSA-N 1 0 453.513 2.638 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2C[C@](C)(O)CCC(C)C)n1 ZINC001289978923 1061699557 /nfs/dbraw/zinc/69/95/57/1061699557.db2.gz HWUPCJQGUSOIKO-ATIYNZHBSA-N 1 0 483.661 2.579 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001289979163 1061699688 /nfs/dbraw/zinc/69/96/88/1061699688.db2.gz IXGUACXVVLMCTI-NRFANRHFSA-N 1 0 498.676 2.516 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCSC(F)(F)F)n1 ZINC001289980356 1061701404 /nfs/dbraw/zinc/70/14/04/1061701404.db2.gz WKQQDZHWIGNICX-QGZVFWFLSA-N 1 0 483.564 2.644 20 0 JFADRO CCCCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001294192439 1061701607 /nfs/dbraw/zinc/70/16/07/1061701607.db2.gz DHGKNWWXXPXHRC-FQEVSTJZSA-N 1 0 480.661 2.937 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289981623 1061704140 /nfs/dbraw/zinc/70/41/40/1061704140.db2.gz XXBIEIYKEWLULB-OAQYLSRUSA-N 1 0 496.704 2.806 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC001289982964 1061705381 /nfs/dbraw/zinc/70/53/81/1061705381.db2.gz IJLHHUGIZUTVKS-LJQANCHMSA-N 1 0 481.567 2.834 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC(=O)NCCc2ccccc2)n1 ZINC001289983552 1061706476 /nfs/dbraw/zinc/70/64/76/1061706476.db2.gz PLXDSTQVLFVSQB-UHFFFAOYSA-N 1 0 461.614 2.785 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCOCC(F)(F)C(F)F)n1 ZINC001289985164 1061709123 /nfs/dbraw/zinc/70/91/23/1061709123.db2.gz HEIVVZQSSSZERP-QGZVFWFLSA-N 1 0 486.514 2.724 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)n1 ZINC001289985596 1061710400 /nfs/dbraw/zinc/71/04/00/1061710400.db2.gz NPTOHHPHWHJWJQ-JYFHCDHNSA-N 1 0 464.614 2.911 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@H](O)c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001289985597 1061710447 /nfs/dbraw/zinc/71/04/47/1061710447.db2.gz NPTOHHPHWHJWJQ-OZXSUGGESA-N 1 0 464.614 2.911 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001294209854 1061713036 /nfs/dbraw/zinc/71/30/36/1061713036.db2.gz BWFCQOLMCJVQPW-UHFFFAOYSA-N 1 0 490.052 2.764 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294209649 1061713331 /nfs/dbraw/zinc/71/33/31/1061713331.db2.gz XRZNJVMLBGMCHZ-YTTGMZPUSA-N 1 0 459.664 2.985 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnn(C)n2)CC1 ZINC001294210349 1061713989 /nfs/dbraw/zinc/71/39/89/1061713989.db2.gz KBVGTMDNZJOOCT-UHFFFAOYSA-N 1 0 473.576 2.667 20 0 JFADRO CC(=O)NCCCn1c(Cc2csc(C)n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001286956851 1061717363 /nfs/dbraw/zinc/71/73/63/1061717363.db2.gz WLBJDYVFTQHUJX-UHFFFAOYSA-N 1 0 467.643 2.872 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccn2)CC1 ZINC001294214602 1061723206 /nfs/dbraw/zinc/72/32/06/1061723206.db2.gz JGWGLXUCVFLARC-UHFFFAOYSA-N 1 0 450.591 2.802 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294215102 1061723843 /nfs/dbraw/zinc/72/38/43/1061723843.db2.gz QHGXLYMUYAAOAF-ROUUACIJSA-N 1 0 459.570 2.503 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001294217245 1061727151 /nfs/dbraw/zinc/72/71/51/1061727151.db2.gz FNMSZBSALJGTBI-PMACEKPBSA-N 1 0 470.618 2.942 20 0 JFADRO Cc1cccc(CC2(O)CCN(c3nnc(C(=O)NC(C)C)n3CCC[NH+]3CCCC3)CC2)c1 ZINC001290002647 1061727820 /nfs/dbraw/zinc/72/78/20/1061727820.db2.gz UCBWFUPTNRYOBC-UHFFFAOYSA-N 1 0 468.646 2.785 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(Br)s2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001294217295 1061728171 /nfs/dbraw/zinc/72/81/71/1061728171.db2.gz QEUOZDQIUFIOTO-AWEZNQCLSA-N 1 0 482.452 2.715 20 0 JFADRO Cc1cccc([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001290002689 1061728474 /nfs/dbraw/zinc/72/84/74/1061728474.db2.gz VBUNRLDKLPZUKR-PZJWPPBQSA-N 1 0 462.664 2.921 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001294217699 1061728763 /nfs/dbraw/zinc/72/87/63/1061728763.db2.gz JZOGOFCLXVFWMV-DEOSSOPVSA-N 1 0 491.658 2.709 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294218794 1061729632 /nfs/dbraw/zinc/72/96/32/1061729632.db2.gz FTONPPCTLUOZBL-IBGZPJMESA-N 1 0 451.575 2.862 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(c2nc(CC)ns2)CC1 ZINC001294218621 1061729857 /nfs/dbraw/zinc/72/98/57/1061729857.db2.gz DUVPYPNFUUXWFJ-UHFFFAOYSA-N 1 0 455.636 2.813 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294219617 1061731296 /nfs/dbraw/zinc/73/12/96/1061731296.db2.gz ZRRRNMHICDINTH-XMMPIXPASA-N 1 0 491.658 2.709 20 0 JFADRO COc1ccc([C@H](CNC(=O)C2=NOC3(CN(C(=O)OC(C)(C)C)C3)C2)[NH+]2CCCC2)cc1 ZINC001290006409 1061731590 /nfs/dbraw/zinc/73/15/90/1061731590.db2.gz XCXCHBRHTHCAEI-FQEVSTJZSA-N 1 0 458.559 2.714 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001294225142 1061736835 /nfs/dbraw/zinc/73/68/35/1061736835.db2.gz BDBVMIHZKISBNC-SFHVURJKSA-N 1 0 474.572 2.799 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294226345 1061738763 /nfs/dbraw/zinc/73/87/63/1061738763.db2.gz SYYHMZZIWYUYAY-UXHICEINSA-N 1 0 492.665 2.766 20 0 JFADRO CCCC[N@H+](C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001294226564 1061739656 /nfs/dbraw/zinc/73/96/56/1061739656.db2.gz WLDYSEUAMSJYBM-IBGZPJMESA-N 1 0 491.681 2.791 20 0 JFADRO Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC001290016899 1061740245 /nfs/dbraw/zinc/74/02/45/1061740245.db2.gz OSHMNMQQNHHFEP-NRFANRHFSA-N 1 0 497.669 2.547 20 0 JFADRO COc1ccccc1[C@@H](CNC(=O)c1c(I)cnn1C)[NH+]1CCCC1 ZINC001290021556 1061743980 /nfs/dbraw/zinc/74/39/80/1061743980.db2.gz KSCZJODCQIYTCZ-OAHLLOKOSA-N 1 0 454.312 2.600 20 0 JFADRO CCCC[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001294229252 1061745825 /nfs/dbraw/zinc/74/58/25/1061745825.db2.gz MGVSKJCQVYZSTG-OAQYLSRUSA-N 1 0 458.582 2.849 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294230054 1061747339 /nfs/dbraw/zinc/74/73/39/1061747339.db2.gz UNCDFKSYLRHLIN-HSZRJFAPSA-N 1 0 479.622 2.743 20 0 JFADRO CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@H+](C)CC1 ZINC001290031951 1061748448 /nfs/dbraw/zinc/74/84/48/1061748448.db2.gz ALIDQWZMRUBZKB-MRXNPFEDSA-N 1 0 454.445 2.558 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001294233655 1061748771 /nfs/dbraw/zinc/74/87/71/1061748771.db2.gz WZVVANFNXMRKNV-MZLICYQSSA-N 1 0 465.639 2.508 20 0 JFADRO CCOc1ccc(-n2c(SCC(=O)N3CCC[N@H+](C)CC3)nnc2-c2cccnc2)cc1 ZINC001290032196 1061748968 /nfs/dbraw/zinc/74/89/68/1061748968.db2.gz FCVSJHDYRHXWLA-UHFFFAOYSA-N 1 0 452.584 2.984 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCC[C@@H](O)C3)CC2)c1 ZINC001290034432 1061750608 /nfs/dbraw/zinc/75/06/08/1061750608.db2.gz SIMTVNDNCFVMEO-FGZHOGPDSA-N 1 0 454.619 2.598 20 0 JFADRO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001286972323 1061752925 /nfs/dbraw/zinc/75/29/25/1061752925.db2.gz QRCDGZGVVUQKGZ-OAQYLSRUSA-N 1 0 473.710 2.973 20 0 JFADRO Cc1cccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)CC2)c1C ZINC001290037338 1061753901 /nfs/dbraw/zinc/75/39/01/1061753901.db2.gz LCDUQCNOQIRNJK-NRFANRHFSA-N 1 0 491.706 2.562 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CC[N@@H+]2CCC[C@@H]2C)c1 ZINC001290043854 1061760200 /nfs/dbraw/zinc/76/02/00/1061760200.db2.gz FGEWWJZDDZBOSQ-ZCNNSNEGSA-N 1 0 463.648 2.908 20 0 JFADRO CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294258169 1061761817 /nfs/dbraw/zinc/76/18/17/1061761817.db2.gz ZMQOUKFJZAEMJY-UHFFFAOYSA-N 1 0 469.634 2.938 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)c1 ZINC001290045278 1061762687 /nfs/dbraw/zinc/76/26/87/1061762687.db2.gz XNZKWSVCYDQFHX-SELNLUPBSA-N 1 0 495.715 2.861 20 0 JFADRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC001294297787 1061786030 /nfs/dbraw/zinc/78/60/30/1061786030.db2.gz CVNDXLRNHLVWKQ-OAQYLSRUSA-N 1 0 451.633 2.632 20 0 JFADRO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001286977301 1061789723 /nfs/dbraw/zinc/78/97/23/1061789723.db2.gz KVBYSTVFJIVTMA-QFIPXVFZSA-N 1 0 486.636 2.550 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C[NH+](C)C ZINC001286977658 1061791441 /nfs/dbraw/zinc/79/14/41/1061791441.db2.gz SHFGQLPJRLXFOG-HLIPFELVSA-N 1 0 479.647 2.636 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001290067344 1061792342 /nfs/dbraw/zinc/79/23/42/1061792342.db2.gz YDKAUVSHUZLSHR-BHIFYINESA-N 1 0 484.645 2.757 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001294308428 1061795986 /nfs/dbraw/zinc/79/59/86/1061795986.db2.gz KPSWJBGCYMFQNN-PKTZIBPZSA-N 1 0 453.635 2.590 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 ZINC001294308966 1061797700 /nfs/dbraw/zinc/79/77/00/1061797700.db2.gz XJXSQLBKHGKVHZ-IBGZPJMESA-N 1 0 490.603 2.967 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001294309463 1061798944 /nfs/dbraw/zinc/79/89/44/1061798944.db2.gz BFYABODTZVYQEC-HBMCJLEFSA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001294309464 1061799102 /nfs/dbraw/zinc/79/91/02/1061799102.db2.gz BFYABODTZVYQEC-NJDAHSKKSA-N 1 0 467.680 2.840 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](CCC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)c1 ZINC001290073505 1061801489 /nfs/dbraw/zinc/80/14/89/1061801489.db2.gz IJHXTXPEGMFPRQ-RUZDIDTESA-N 1 0 457.619 2.875 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311044 1061801697 /nfs/dbraw/zinc/80/16/97/1061801697.db2.gz JWOUXVPUZVGCRV-HXUWFJFHSA-N 1 0 452.669 2.718 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001290073665 1061802143 /nfs/dbraw/zinc/80/21/43/1061802143.db2.gz KQWBTIMKDPRLOM-UHFFFAOYSA-N 1 0 456.591 2.786 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 ZINC001294311698 1061802436 /nfs/dbraw/zinc/80/24/36/1061802436.db2.gz NUGNNXMUMCOTIB-NJDAHSKKSA-N 1 0 473.666 2.769 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC(=O)NCC(F)F)c1 ZINC001290075244 1061803819 /nfs/dbraw/zinc/80/38/19/1061803819.db2.gz UTNDGXZZSTVQNS-SFHVURJKSA-N 1 0 476.572 2.857 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294313213 1061805095 /nfs/dbraw/zinc/80/50/95/1061805095.db2.gz BLDXXNKWNFHHET-PKTZIBPZSA-N 1 0 468.646 2.783 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc(COc4cccc(C)c4)n3C[C@H](C)[NH+](C)C)CCO2)c1 ZINC001290078113 1061808260 /nfs/dbraw/zinc/80/82/60/1061808260.db2.gz RSOSGGBAYYIWKT-UNMCSNQZSA-N 1 0 453.591 2.526 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 ZINC001294316061 1061809633 /nfs/dbraw/zinc/80/96/33/1061809633.db2.gz NBXSBOSVMHSZDA-NJDAHSKKSA-N 1 0 467.680 2.840 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316541 1061810674 /nfs/dbraw/zinc/81/06/74/1061810674.db2.gz HFHNEODVKCGAPM-SQJMNOBHSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294317129 1061812224 /nfs/dbraw/zinc/81/22/24/1061812224.db2.gz UUOUHNGMYKHNPM-HXUWFJFHSA-N 1 0 468.712 2.993 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 ZINC001294317800 1061815592 /nfs/dbraw/zinc/81/55/92/1061815592.db2.gz NDJZYHHKIZSPQH-NRFANRHFSA-N 1 0 461.655 2.807 20 0 JFADRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC2)C1 ZINC001294318746 1061819214 /nfs/dbraw/zinc/81/92/14/1061819214.db2.gz WOLVERNVMQHRCW-PMACEKPBSA-N 1 0 482.633 2.542 20 0 JFADRO Cc1ccccc1C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2CCOCC[NH+](C)C)CC1 ZINC001290087248 1061819544 /nfs/dbraw/zinc/81/95/44/1061819544.db2.gz QCRUQJWJYNTRMM-HSZRJFAPSA-N 1 0 484.645 2.805 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294322033 1061826655 /nfs/dbraw/zinc/82/66/55/1061826655.db2.gz PKLOMPFNKVBPCP-ROMRWMGNSA-N 1 0 490.052 2.581 20 0 JFADRO Cc1ccccc1[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290095186 1061826724 /nfs/dbraw/zinc/82/67/24/1061826724.db2.gz MBIJFMGYJCUDSK-WOJBJXKFSA-N 1 0 475.659 2.797 20 0 JFADRO CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001286982402 1061826951 /nfs/dbraw/zinc/82/69/51/1061826951.db2.gz SNUQRMGHKRGHDC-UXHICEINSA-N 1 0 473.666 2.626 20 0 JFADRO CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001286982403 1061826996 /nfs/dbraw/zinc/82/69/96/1061826996.db2.gz SNUQRMGHKRGHDC-VQTJNVASSA-N 1 0 473.666 2.626 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001294326217 1061837034 /nfs/dbraw/zinc/83/70/34/1061837034.db2.gz PWBIPSFQRAMRCP-NJDAHSKKSA-N 1 0 468.650 2.988 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001294326219 1061837245 /nfs/dbraw/zinc/83/72/45/1061837245.db2.gz PWBIPSFQRAMRCP-PWRODBHTSA-N 1 0 468.650 2.988 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290112748 1061841355 /nfs/dbraw/zinc/84/13/55/1061841355.db2.gz KWYDQVJXOSVNFR-HKUYNNGSSA-N 1 0 494.562 2.727 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1 ZINC001294328610 1061846035 /nfs/dbraw/zinc/84/60/35/1061846035.db2.gz DUJUDTHHZNMAPV-NJYVYQBISA-N 1 0 473.666 2.626 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001290120221 1061849198 /nfs/dbraw/zinc/84/91/98/1061849198.db2.gz HYSRFPGSTYKBNJ-ICSRJNTNSA-N 1 0 454.619 2.845 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001290120220 1061849410 /nfs/dbraw/zinc/84/94/10/1061849410.db2.gz HYSRFPGSTYKBNJ-AZUAARDMSA-N 1 0 454.619 2.845 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001290120637 1061849936 /nfs/dbraw/zinc/84/99/36/1061849936.db2.gz PKUGBZWSSFHFDJ-UHFFFAOYSA-N 1 0 488.702 2.541 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001290121122 1061850830 /nfs/dbraw/zinc/85/08/30/1061850830.db2.gz SOBVVTZAGQDHJS-FQEVSTJZSA-N 1 0 475.659 2.624 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001294330857 1061850922 /nfs/dbraw/zinc/85/09/22/1061850922.db2.gz BKUMZECXEAFBBG-FDFHNCONSA-N 1 0 487.693 2.767 20 0 JFADRO COCCOc1cc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nc2ccccc21 ZINC001294332037 1061857024 /nfs/dbraw/zinc/85/70/24/1061857024.db2.gz IMVGMXDHCJVBHP-UHFFFAOYSA-N 1 0 456.587 2.617 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001286985970 1061858982 /nfs/dbraw/zinc/85/89/82/1061858982.db2.gz GJFRPMOVJUXWIG-QHCPKHFHSA-N 1 0 482.673 2.774 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290129971 1061863470 /nfs/dbraw/zinc/86/34/70/1061863470.db2.gz XZDOSRGDHSZJQZ-NRFANRHFSA-N 1 0 468.646 2.795 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCC(=O)NC(C)C ZINC001290130060 1061864261 /nfs/dbraw/zinc/86/42/61/1061864261.db2.gz ZAIAYUQBMOCFSL-OAQYLSRUSA-N 1 0 454.619 2.717 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[NH+]1CCCCC1 ZINC001290132428 1061865680 /nfs/dbraw/zinc/86/56/80/1061865680.db2.gz IIOPBNHWUVVDRT-FQEVSTJZSA-N 1 0 460.648 2.600 20 0 JFADRO CC(C)(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001286987808 1061872175 /nfs/dbraw/zinc/87/21/75/1061872175.db2.gz ZPRIZBHILBZMNL-FQEVSTJZSA-N 1 0 494.644 2.566 20 0 JFADRO 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CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001294340898 1061885324 /nfs/dbraw/zinc/88/53/24/1061885324.db2.gz AAXYYQJJTKYYMZ-LEWJYISDSA-N 1 0 470.666 2.933 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294341585 1061889901 /nfs/dbraw/zinc/88/99/01/1061889901.db2.gz ICDPHSMCXPDJID-TZIWHRDSSA-N 1 0 470.666 2.932 20 0 JFADRO Cc1c(CN(C)c2nnc(Cc3ccccc3C)n2C[C@@H](C)C[NH+]2CCOCC2)cnn1C ZINC001290151066 1061892485 /nfs/dbraw/zinc/89/24/85/1061892485.db2.gz JTHICSUIUZERPG-IBGZPJMESA-N 1 0 451.619 2.824 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2CC[N@H+]2CC=CCC2)C1 ZINC001294349194 1061914075 /nfs/dbraw/zinc/91/40/75/1061914075.db2.gz NWDSHIQPTWTLLM-QFIPXVFZSA-N 1 0 451.619 2.659 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1 ZINC001290171736 1061915847 /nfs/dbraw/zinc/91/58/47/1061915847.db2.gz NCYDTXWORPAAMZ-NRFANRHFSA-N 1 0 455.555 2.871 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001287004102 1061921443 /nfs/dbraw/zinc/92/14/43/1061921443.db2.gz JVIKACVHFPFNCY-RBUKOAKNSA-N 1 0 454.610 2.996 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290176049 1061923555 /nfs/dbraw/zinc/92/35/55/1061923555.db2.gz DKXHKVYZPLZSTL-QFIPXVFZSA-N 1 0 488.702 2.627 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC(C)C)CC1 ZINC001290195968 1061936903 /nfs/dbraw/zinc/93/69/03/1061936903.db2.gz GFCRROPVHUQVSQ-QFIPXVFZSA-N 1 0 454.619 2.717 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCCCC[NH+]1CCCC1 ZINC001287009302 1061937524 /nfs/dbraw/zinc/93/75/24/1061937524.db2.gz VEYVHDOXEGWOHZ-UHFFFAOYSA-N 1 0 468.650 2.662 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCCO[C@H]1CCOC1 ZINC001287009750 1061939331 /nfs/dbraw/zinc/93/93/31/1061939331.db2.gz WFUGULMNMCYMMG-VXKWHMMOSA-N 1 0 457.619 2.627 20 0 JFADRO Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cn2)CC1 ZINC001290197879 1061939384 /nfs/dbraw/zinc/93/93/84/1061939384.db2.gz ZWQWELYJIXZHDU-UHFFFAOYSA-N 1 0 451.550 2.629 20 0 JFADRO Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001290206302 1061951409 /nfs/dbraw/zinc/95/14/09/1061951409.db2.gz HSLNTQRRJVOGJG-HSZRJFAPSA-N 1 0 497.688 2.799 20 0 JFADRO CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294382622 1061955778 /nfs/dbraw/zinc/95/57/78/1061955778.db2.gz PKSDOCYOPCEKMJ-LJQANCHMSA-N 1 0 455.607 2.772 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2CCC[NH+]2CCCC2)CC1 ZINC001290216834 1061960853 /nfs/dbraw/zinc/96/08/53/1061960853.db2.gz BRUDFGLJECTYHD-UHFFFAOYSA-N 1 0 460.648 2.707 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001290218367 1061965690 /nfs/dbraw/zinc/96/56/90/1061965690.db2.gz UOAQCHGUCZHEHG-IBGZPJMESA-N 1 0 460.648 2.528 20 0 JFADRO CCCCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294410050 1061977127 /nfs/dbraw/zinc/97/71/27/1061977127.db2.gz GQEVXKRJUZDTQL-QFIPXVFZSA-N 1 0 472.609 2.568 20 0 JFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1 ZINC001294414286 1061979967 /nfs/dbraw/zinc/97/99/67/1061979967.db2.gz JPVZEZIWQKRCTK-IEGUWTFLSA-N 1 0 452.596 2.538 20 0 JFADRO CC1CCN(S(=O)(=O)c2ccc(C(=O)NCCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC001294414881 1061980501 /nfs/dbraw/zinc/98/05/01/1061980501.db2.gz QHKDFHYMFKBTLI-PMACEKPBSA-N 1 0 451.633 2.726 20 0 JFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001294415057 1061981611 /nfs/dbraw/zinc/98/16/11/1061981611.db2.gz VQJZRYLAUQRCGS-SFHVURJKSA-N 1 0 453.605 2.923 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[NH+]1CCSCC1 ZINC001287031599 1061985029 /nfs/dbraw/zinc/98/50/29/1061985029.db2.gz AMKOIRHGCDTMPD-UHFFFAOYSA-N 1 0 470.687 2.807 20 0 JFADRO CC1=CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001290244973 1061985522 /nfs/dbraw/zinc/98/55/22/1061985522.db2.gz LBMBEZJIHYQGTO-NRFANRHFSA-N 1 0 490.649 2.590 20 0 JFADRO CCCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001294434839 1061988806 /nfs/dbraw/zinc/98/88/06/1061988806.db2.gz MRGMVXIRXBWYLQ-IBGZPJMESA-N 1 0 467.618 2.929 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCCN(c3nccs3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287032848 1061989376 /nfs/dbraw/zinc/98/93/76/1061989376.db2.gz WJONLJPAXYOVLM-IBGZPJMESA-N 1 0 461.680 2.887 20 0 JFADRO CCCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001294436136 1061990409 /nfs/dbraw/zinc/99/04/09/1061990409.db2.gz YBDAOHWOVKUZFD-UHFFFAOYSA-N 1 0 452.607 2.714 20 0 JFADRO C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1)c1cccc(S(N)(=O)=O)c1 ZINC001290254564 1061990416 /nfs/dbraw/zinc/99/04/16/1061990416.db2.gz AKOIWMSFWZTIFB-GKVQRAMASA-N 1 0 464.591 2.822 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)C1 ZINC001294453584 1061997508 /nfs/dbraw/zinc/99/75/08/1061997508.db2.gz BEGDJIYXMIKDPL-MOPGFXCFSA-N 1 0 455.607 2.909 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)C1 ZINC001294453550 1061997593 /nfs/dbraw/zinc/99/75/93/1061997593.db2.gz ABXAHWWVSIWHRX-LJQANCHMSA-N 1 0 473.691 2.704 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294453779 1061998519 /nfs/dbraw/zinc/99/85/19/1061998519.db2.gz GKUMLGOLCQFRKB-ZWKOTPCHSA-N 1 0 475.663 2.894 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001287034920 1061999195 /nfs/dbraw/zinc/99/91/95/1061999195.db2.gz BGWJYRUZBMPXNU-UHFFFAOYSA-N 1 0 490.649 2.779 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(C(C)(C)C)n3CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)CC2)c1 ZINC001290270679 1061999522 /nfs/dbraw/zinc/99/95/22/1061999522.db2.gz BDRQSVZWRHJOBG-JOCHJYFZSA-N 1 0 484.693 2.940 20 0 JFADRO Cc1cnn([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C2)c1 ZINC001290270580 1061999760 /nfs/dbraw/zinc/99/97/60/1061999760.db2.gz BFRHOROIPMWMCB-FQEVSTJZSA-N 1 0 456.639 2.885 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)NC(=O)OC(C)(C)C)C1 ZINC001294454421 1062000511 /nfs/dbraw/zinc/00/05/11/1062000511.db2.gz QYAGGQPYYQKONA-VQTJNVASSA-N 1 0 491.681 2.986 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2nnn(C)n2)C1 ZINC001294454699 1062000855 /nfs/dbraw/zinc/00/08/55/1062000855.db2.gz BEFNFHKOWQLWCJ-CYBMUJFWSA-N 1 0 480.440 2.509 20 0 JFADRO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C2)c1 ZINC001290271523 1062000950 /nfs/dbraw/zinc/00/09/50/1062000950.db2.gz KOOKOYFKKTWYFD-NHCUHLMSSA-N 1 0 456.639 2.883 20 0 JFADRO CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CC[NH+](C)CC2)CC1 ZINC001290272193 1062002086 /nfs/dbraw/zinc/00/20/86/1062002086.db2.gz XYUUMIDUZQODPC-UBFVSLLYSA-N 1 0 456.675 2.930 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCOCC(F)(F)C(F)F ZINC001287036243 1062002472 /nfs/dbraw/zinc/00/24/72/1062002472.db2.gz VCPVEJPMBDKESW-INIZCTEOSA-N 1 0 465.536 2.942 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N2CCOCC2)C1 ZINC001294455428 1062002571 /nfs/dbraw/zinc/00/25/71/1062002571.db2.gz DMTMHIGIIQURCM-ROUUACIJSA-N 1 0 494.482 2.925 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C1 ZINC001294456767 1062003649 /nfs/dbraw/zinc/00/36/49/1062003649.db2.gz JROBJMCMBGUZDU-ZWKOTPCHSA-N 1 0 494.482 2.925 20 0 JFADRO Cc1cnn(CC2CCN(c3nnc(CC(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)CC2)c1 ZINC001290274064 1062005240 /nfs/dbraw/zinc/00/52/40/1062005240.db2.gz UBUQBYJGDDBYRI-QHCPKHFHSA-N 1 0 484.693 2.841 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001287039709 1062006622 /nfs/dbraw/zinc/00/66/22/1062006622.db2.gz MGQXFHWBSMYSLD-UHFFFAOYSA-N 1 0 452.611 2.688 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001287039889 1062006752 /nfs/dbraw/zinc/00/67/52/1062006752.db2.gz OXDJPVAAJSRISZ-UHFFFAOYSA-N 1 0 487.693 2.911 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCS(=O)(=O)NC)C1 ZINC001294460310 1062007741 /nfs/dbraw/zinc/00/77/41/1062007741.db2.gz CFJRMRVMSNOZAR-HNNXBMFYSA-N 1 0 489.473 2.969 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@@H](C)Oc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CCO2)c1 ZINC001290279256 1062008827 /nfs/dbraw/zinc/00/88/27/1062008827.db2.gz JIPJHEZKZHUVNM-AQNXPRMDSA-N 1 0 471.581 2.918 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)(C)O)CC1 ZINC001287041573 1062009535 /nfs/dbraw/zinc/00/95/35/1062009535.db2.gz MQLAIXJUVMTHAU-UHFFFAOYSA-N 1 0 462.664 2.989 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001287041528 1062009582 /nfs/dbraw/zinc/00/95/82/1062009582.db2.gz KRRQJAYEMVHYPH-UHFFFAOYSA-N 1 0 456.639 2.722 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)C1 ZINC001294461750 1062011307 /nfs/dbraw/zinc/01/13/07/1062011307.db2.gz DAIXWENWQOOPPL-GOSISDBHSA-N 1 0 454.623 2.805 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)C1 ZINC001294461703 1062011374 /nfs/dbraw/zinc/01/13/74/1062011374.db2.gz BSTMDICVVMALSF-LJQANCHMSA-N 1 0 456.639 2.638 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@H]4CCCCO4)n3C[C@@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001290280932 1062011317 /nfs/dbraw/zinc/01/13/17/1062011317.db2.gz VIZHWIFDGDRTNQ-BHIFYINESA-N 1 0 459.639 2.906 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294461771 1062011548 /nfs/dbraw/zinc/01/15/48/1062011548.db2.gz DOFOUDJJEMQSMC-WOJBJXKFSA-N 1 0 490.674 2.546 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001287042472 1062012121 /nfs/dbraw/zinc/01/21/21/1062012121.db2.gz AJOJQSCVOGCQPI-KRWDZBQOSA-N 1 0 465.524 2.806 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C(F)(F)F)ccn2)CC1 ZINC001287042474 1062012366 /nfs/dbraw/zinc/01/23/66/1062012366.db2.gz AJOJQSCVOGCQPI-QGZVFWFLSA-N 1 0 465.524 2.806 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001287042333 1062012517 /nfs/dbraw/zinc/01/25/17/1062012517.db2.gz JIKPFRSYYKMUJH-UHFFFAOYSA-N 1 0 481.066 2.945 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)C1 ZINC001294463011 1062012480 /nfs/dbraw/zinc/01/24/80/1062012480.db2.gz NOQVPFYUFXVAGU-LJQANCHMSA-N 1 0 451.575 2.726 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287042557 1062012850 /nfs/dbraw/zinc/01/28/50/1062012850.db2.gz QKTCFTIAHBMADJ-IBGZPJMESA-N 1 0 481.567 2.914 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[C@H](O)C2)CC1 ZINC001287042938 1062013935 /nfs/dbraw/zinc/01/39/35/1062013935.db2.gz JHRNREBKUCICHS-ICSRJNTNSA-N 1 0 475.659 2.820 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)CC1 ZINC001287042890 1062014190 /nfs/dbraw/zinc/01/41/90/1062014190.db2.gz YGVRUDPTTJFOTR-INIZCTEOSA-N 1 0 467.412 2.762 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)C1 ZINC001294465145 1062015088 /nfs/dbraw/zinc/01/50/88/1062015088.db2.gz ZZTYTKLBKCLDHA-OAQYLSRUSA-N 1 0 455.651 2.927 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 ZINC001287043501 1062014980 /nfs/dbraw/zinc/01/49/80/1062014980.db2.gz FTFKXHAVXJFHKV-UHFFFAOYSA-N 1 0 451.550 2.962 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466692 1062015666 /nfs/dbraw/zinc/01/56/66/1062015666.db2.gz CPURUORAXJHOSE-VQTJNVASSA-N 1 0 480.654 2.791 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@H](O)C2)CC1 ZINC001287043514 1062015680 /nfs/dbraw/zinc/01/56/80/1062015680.db2.gz GDFGKDYBQDTESI-MSOLQXFVSA-N 1 0 460.648 2.741 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC001287043515 1062015862 /nfs/dbraw/zinc/01/58/62/1062015862.db2.gz GDFGKDYBQDTESI-QZTJIDSGSA-N 1 0 460.648 2.741 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)CC1 ZINC001287043553 1062016006 /nfs/dbraw/zinc/01/60/06/1062016006.db2.gz HDBDPYCKTLXHCP-UHFFFAOYSA-N 1 0 489.024 2.605 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466690 1062015848 /nfs/dbraw/zinc/01/58/48/1062015848.db2.gz CPURUORAXJHOSE-UXHICEINSA-N 1 0 480.654 2.791 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001287043575 1062016314 /nfs/dbraw/zinc/01/63/14/1062016314.db2.gz IEZXJRIPCOTLTP-NRFANRHFSA-N 1 0 454.619 2.799 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294467785 1062016611 /nfs/dbraw/zinc/01/66/11/1062016611.db2.gz JDHBLIBIQKTRAR-UXHICEINSA-N 1 0 455.607 2.879 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467552 1062016655 /nfs/dbraw/zinc/01/66/55/1062016655.db2.gz GWIKKUJZYRJLNO-CTNGQTDRSA-N 1 0 475.659 2.600 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468142 1062018262 /nfs/dbraw/zinc/01/82/62/1062018262.db2.gz LIHRDKUIBQAHAD-CTNGQTDRSA-N 1 0 475.659 2.714 20 0 JFADRO O=C(N1CCN(CC[NH+]2CCCC2)CC1)C1(c2ccc(Br)cc2)CCOCC1 ZINC001290290363 1062019432 /nfs/dbraw/zinc/01/94/32/1062019432.db2.gz ZQTCORBVQWSBQR-UHFFFAOYSA-N 1 0 450.421 2.737 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(F)c2)C1 ZINC001294468881 1062019639 /nfs/dbraw/zinc/01/96/39/1062019639.db2.gz RDDIQSWTFUXLFF-AABGKKOBSA-N 1 0 493.649 2.955 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001287044647 1062020238 /nfs/dbraw/zinc/02/02/38/1062020238.db2.gz MAYAFYKBHYPDGX-HXUWFJFHSA-N 1 0 461.632 2.643 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294469289 1062021254 /nfs/dbraw/zinc/02/12/54/1062021254.db2.gz XGEZTHYKQKMCGJ-OKZBNKHCSA-N 1 0 496.703 2.561 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCO[C@H]2C)C1 ZINC001294469504 1062021856 /nfs/dbraw/zinc/02/18/56/1062021856.db2.gz AAPOFCRNJBESKC-STWLZBDKSA-N 1 0 457.619 2.874 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(CC)s2)C1 ZINC001294470874 1062024729 /nfs/dbraw/zinc/02/47/29/1062024729.db2.gz OHLJEEBXIOVSDY-SFHVURJKSA-N 1 0 457.652 2.770 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CC1 ZINC001287045885 1062026002 /nfs/dbraw/zinc/02/60/02/1062026002.db2.gz ZJXKQIXHSZRIQG-UHFFFAOYSA-N 1 0 470.549 2.940 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCC2)C1 ZINC001294473356 1062026187 /nfs/dbraw/zinc/02/61/87/1062026187.db2.gz LYNLZCSUMYUWDY-OAQYLSRUSA-N 1 0 453.635 2.835 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(=O)N(C)C)CCCC2)C1 ZINC001294473755 1062026230 /nfs/dbraw/zinc/02/62/30/1062026230.db2.gz YTMYYQHZWJUCKX-QFIPXVFZSA-N 1 0 484.693 2.956 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001294474746 1062027274 /nfs/dbraw/zinc/02/72/74/1062027274.db2.gz QWSXLIMJIMTBKS-HXUWFJFHSA-N 1 0 474.675 2.789 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 ZINC001287047035 1062030860 /nfs/dbraw/zinc/03/08/60/1062030860.db2.gz ZVGXSJUFAFUGMP-KRWDZBQOSA-N 1 0 467.039 2.588 20 0 JFADRO CCCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001294483210 1062031785 /nfs/dbraw/zinc/03/17/85/1062031785.db2.gz CYELPQZTVUMRAZ-NRFANRHFSA-N 1 0 453.595 2.514 20 0 JFADRO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001290305564 1062032965 /nfs/dbraw/zinc/03/29/65/1062032965.db2.gz YLPGOVLTJPNVML-QGZVFWFLSA-N 1 0 492.671 2.573 20 0 JFADRO CC(C)(C)NC(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001287047656 1062034260 /nfs/dbraw/zinc/03/42/60/1062034260.db2.gz LZWFDUBHDJBIPT-UHFFFAOYSA-N 1 0 488.608 2.602 20 0 JFADRO CCCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001294499666 1062036793 /nfs/dbraw/zinc/03/67/93/1062036793.db2.gz NUTCUWLQAXCXQP-NRFANRHFSA-N 1 0 453.635 2.848 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001294505468 1062041012 /nfs/dbraw/zinc/04/10/12/1062041012.db2.gz JTGHHXDUOIUGKU-XLIONFOSSA-N 1 0 463.026 2.801 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001294505811 1062042201 /nfs/dbraw/zinc/04/22/01/1062042201.db2.gz OCZAYCLXDGXLSJ-UHFFFAOYSA-N 1 0 495.672 2.907 20 0 JFADRO Cc1csc([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCCCC3)C2)n1 ZINC001290318173 1062042251 /nfs/dbraw/zinc/04/22/51/1062042251.db2.gz JTKKQVOMQVTEGD-RTBURBONSA-N 1 0 495.719 2.913 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001294514059 1062048725 /nfs/dbraw/zinc/04/87/25/1062048725.db2.gz MEPPARZIHSDVHO-UHFFFAOYSA-N 1 0 497.669 2.973 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 ZINC001294515867 1062053030 /nfs/dbraw/zinc/05/30/30/1062053030.db2.gz KHLJPJBDLUIDGU-NRFANRHFSA-N 1 0 473.666 2.580 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@@H]1C ZINC001294516263 1062053254 /nfs/dbraw/zinc/05/32/54/1062053254.db2.gz QHUOEPMSDINASJ-ICSRJNTNSA-N 1 0 457.598 2.815 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(CO)CC2)n1CC[NH+]1CCSCC1 ZINC001287051894 1062053327 /nfs/dbraw/zinc/05/33/27/1062053327.db2.gz REEMKAPOAUBJQZ-IBGZPJMESA-N 1 0 480.679 2.608 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001294516687 1062054363 /nfs/dbraw/zinc/05/43/63/1062054363.db2.gz ZUUAPPYEVDYSIQ-UHFFFAOYSA-N 1 0 483.020 2.969 20 0 JFADRO 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CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001294649627 1062192177 /nfs/dbraw/zinc/19/21/77/1062192177.db2.gz FFUXVWNDVDBHJX-OALUTQOASA-N 1 0 450.591 2.563 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2CC[NH+]2CCCCC2)cs1 ZINC001290431892 1062193123 /nfs/dbraw/zinc/19/31/23/1062193123.db2.gz KJVMIHNULNALPR-UHFFFAOYSA-N 1 0 459.664 2.814 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCSCC2)C1 ZINC001287070725 1062193188 /nfs/dbraw/zinc/19/31/88/1062193188.db2.gz DMTNAKHLBHBURF-RTBURBONSA-N 1 0 480.679 2.714 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2CCCNC(=O)c2cccc(O)c2)cs1 ZINC001290432681 1062195118 /nfs/dbraw/zinc/19/51/18/1062195118.db2.gz PUDQIYZRCMXKBZ-UHFFFAOYSA-N 1 0 483.642 2.690 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2C[C@H](C)C[NH+]2CCCC2)cs1 ZINC001290433106 1062197380 /nfs/dbraw/zinc/19/73/80/1062197380.db2.gz SHJGFAXCXHKORE-GOSISDBHSA-N 1 0 459.664 2.670 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287071205 1062200318 /nfs/dbraw/zinc/20/03/18/1062200318.db2.gz XXLHHLGJMYWDES-SFTDATJTSA-N 1 0 492.665 2.983 20 0 JFADRO Cc1nc(Cc2nnc(N3CCNC(=O)C3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)cs1 ZINC001290435004 1062202100 /nfs/dbraw/zinc/20/21/00/1062202100.db2.gz DARSXAGVQNFRIR-INIZCTEOSA-N 1 0 453.616 2.699 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658188 1062203730 /nfs/dbraw/zinc/20/37/30/1062203730.db2.gz QBFCBRIDXKUKLF-LJQANCHMSA-N 1 0 466.696 2.966 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658187 1062204122 /nfs/dbraw/zinc/20/41/22/1062204122.db2.gz QBFCBRIDXKUKLF-IBGZPJMESA-N 1 0 466.696 2.966 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001294658406 1062204475 /nfs/dbraw/zinc/20/44/75/1062204475.db2.gz PNLYHGDZDBGVFY-YQVWRLOYSA-N 1 0 455.694 2.632 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccccc2)CC1 ZINC001294659416 1062207893 /nfs/dbraw/zinc/20/78/93/1062207893.db2.gz VLUWHZBMFBUPNX-OAQYLSRUSA-N 1 0 475.659 2.817 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001294659473 1062207993 /nfs/dbraw/zinc/20/79/93/1062207993.db2.gz WNZQMUPGXKZUNG-NRFANRHFSA-N 1 0 475.682 2.924 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001294659758 1062208307 /nfs/dbraw/zinc/20/83/07/1062208307.db2.gz XSWQYWGAZBLPEE-ZJSXRUAMSA-N 1 0 487.737 2.978 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC001294659846 1062208404 /nfs/dbraw/zinc/20/84/04/1062208404.db2.gz YPGFSHPSUKOXHB-IFMALSPDSA-N 1 0 460.667 2.987 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC)nnc2N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 ZINC001294660368 1062208979 /nfs/dbraw/zinc/20/89/79/1062208979.db2.gz CFPKQBNWMRZZLG-JOCHJYFZSA-N 1 0 467.662 2.950 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CC2(O)CC2)C1 ZINC001287073214 1062210929 /nfs/dbraw/zinc/21/09/29/1062210929.db2.gz ABEUPPDRPOUXRL-HDICACEKSA-N 1 0 462.639 2.884 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CCOC)C(=O)C2)C1 ZINC001294661538 1062212276 /nfs/dbraw/zinc/21/22/76/1062212276.db2.gz QHGYRWBPTFDUQU-FQEVSTJZSA-N 1 0 475.037 2.549 20 0 JFADRO Cc1nc(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[NH+]2CCC(C)CC2)cs1 ZINC001290441466 1062212645 /nfs/dbraw/zinc/21/26/45/1062212645.db2.gz PHIBLODZULVEOZ-NRFANRHFSA-N 1 0 462.664 2.996 20 0 JFADRO Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C2)no1 ZINC001290441427 1062212717 /nfs/dbraw/zinc/21/27/17/1062212717.db2.gz GUBFFNIQDZIIAB-VQTJNVASSA-N 1 0 472.638 2.687 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)C1 ZINC001294661543 1062212708 /nfs/dbraw/zinc/21/27/08/1062212708.db2.gz QHPOAJCGXMAURD-UNMCSNQZSA-N 1 0 475.037 2.596 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294661726 1062212835 /nfs/dbraw/zinc/21/28/35/1062212835.db2.gz UMPHECANHKGOAD-SFHVURJKSA-N 1 0 475.588 2.731 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001294661649 1062212929 /nfs/dbraw/zinc/21/29/29/1062212929.db2.gz SPCBPUYPXDWFJC-GOSISDBHSA-N 1 0 460.573 2.971 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@H](C)CS(C)(=O)=O)C1 ZINC001294662440 1062214099 /nfs/dbraw/zinc/21/40/99/1062214099.db2.gz NAFFZGRAHNGJDO-RTBURBONSA-N 1 0 472.659 2.951 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)[C@@H](C)CS(C)(=O)=O)C1 ZINC001294662439 1062214218 /nfs/dbraw/zinc/21/42/18/1062214218.db2.gz NAFFZGRAHNGJDO-RBUKOAKNSA-N 1 0 472.659 2.951 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OCC)nnc2N2CCS(=O)CC2)C1 ZINC001294666076 1062218586 /nfs/dbraw/zinc/21/85/86/1062218586.db2.gz ABCPAUFWTKAEAZ-IBGZPJMESA-N 1 0 461.632 2.556 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3CC)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001294666972 1062220650 /nfs/dbraw/zinc/22/06/50/1062220650.db2.gz ONESGVZSWNLVHI-WOJBJXKFSA-N 1 0 454.619 2.818 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(C(=O)c3ccsc3)CC2)CC1 ZINC001294667059 1062220731 /nfs/dbraw/zinc/22/07/31/1062220731.db2.gz PYETVYBPBRWNMU-UHFFFAOYSA-N 1 0 460.648 2.961 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001294667326 1062221770 /nfs/dbraw/zinc/22/17/70/1062221770.db2.gz XOSFFMBOSNCUTQ-HXUWFJFHSA-N 1 0 471.602 2.987 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001294669707 1062225913 /nfs/dbraw/zinc/22/59/13/1062225913.db2.gz MJJHPRUVNFEULA-UHFFFAOYSA-N 1 0 487.693 2.606 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@H](CNC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001294670209 1062226477 /nfs/dbraw/zinc/22/64/77/1062226477.db2.gz PRUYTNPQSFDETH-ZEQKJWHPSA-N 1 0 490.693 2.793 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001294670720 1062228666 /nfs/dbraw/zinc/22/86/66/1062228666.db2.gz VMMQRFYHGCAGAD-OAQYLSRUSA-N 1 0 454.619 2.989 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001294671491 1062230649 /nfs/dbraw/zinc/23/06/49/1062230649.db2.gz XBZGVWCFHLLEMA-IBGZPJMESA-N 1 0 489.665 2.626 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001294674934 1062234986 /nfs/dbraw/zinc/23/49/86/1062234986.db2.gz OUEKCPRFVUYFBB-ZWOKBUDYSA-N 1 0 466.030 2.757 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)Nc3ccccn3)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001294675358 1062236223 /nfs/dbraw/zinc/23/62/23/1062236223.db2.gz VZALNYZPIMRXFG-UHFFFAOYSA-N 1 0 495.632 2.589 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 ZINC001294675214 1062236371 /nfs/dbraw/zinc/23/63/71/1062236371.db2.gz GRQMBDNNSWUPQD-JLMWRMLUSA-N 1 0 470.684 2.547 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001294675993 1062237329 /nfs/dbraw/zinc/23/73/29/1062237329.db2.gz WJEYDIKCICZSGU-UHFFFAOYSA-N 1 0 481.066 2.945 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H]2COCCO2)CC1 ZINC001294677357 1062238246 /nfs/dbraw/zinc/23/82/46/1062238246.db2.gz KRJRPFOBXRLTAU-QFIPXVFZSA-N 1 0 459.591 2.688 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001294677735 1062238345 /nfs/dbraw/zinc/23/83/45/1062238345.db2.gz MNWRLRNNHRTEEM-UHFFFAOYSA-N 1 0 476.025 2.586 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001294677381 1062238458 /nfs/dbraw/zinc/23/84/58/1062238458.db2.gz LJKMGHKPBULARV-FQEVSTJZSA-N 1 0 486.661 2.994 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001294677385 1062238498 /nfs/dbraw/zinc/23/84/98/1062238498.db2.gz LJKMGHKPBULARV-HXUWFJFHSA-N 1 0 486.661 2.994 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)CC1 ZINC001294682807 1062241312 /nfs/dbraw/zinc/24/13/12/1062241312.db2.gz IWHNMKIQTLAXDG-TZIWHRDSSA-N 1 0 492.665 2.934 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001294684011 1062243530 /nfs/dbraw/zinc/24/35/30/1062243530.db2.gz ODPPJSLUJFWQAM-UHFFFAOYSA-N 1 0 485.658 2.582 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnn(C)c3)n2Cc2c(CC)nn(C)c2CC)CC1 ZINC001294684379 1062244217 /nfs/dbraw/zinc/24/42/17/1062244217.db2.gz PFKCJBBVNXQEIW-UHFFFAOYSA-N 1 0 453.639 2.896 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC)CC1 ZINC001294684851 1062244852 /nfs/dbraw/zinc/24/48/52/1062244852.db2.gz SASITWHHBZNROS-UHFFFAOYSA-N 1 0 463.652 2.585 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001294685160 1062245877 /nfs/dbraw/zinc/24/58/77/1062245877.db2.gz BKEFRWYSEVQPCZ-OAQYLSRUSA-N 1 0 460.648 2.542 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2CCc2cccc(C(N)=O)c2)CC1 ZINC001294685586 1062246360 /nfs/dbraw/zinc/24/63/60/1062246360.db2.gz GUXSCPRPEJJDKO-UHFFFAOYSA-N 1 0 461.614 2.916 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cn3nc(C)cc3C)n2CCc2nccnc2C)CC1 ZINC001294686987 1062247572 /nfs/dbraw/zinc/24/75/72/1062247572.db2.gz TWXNFDYBLPOTBC-UHFFFAOYSA-N 1 0 451.623 2.791 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CC3CCCC3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001294687564 1062248008 /nfs/dbraw/zinc/24/80/08/1062248008.db2.gz ZJZIRBSLDOBDKP-UHFFFAOYSA-N 1 0 498.763 2.700 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001294688317 1062248707 /nfs/dbraw/zinc/24/87/07/1062248707.db2.gz XPFNLVMPETXAQV-UHFFFAOYSA-N 1 0 463.623 2.896 20 0 JFADRO CC(C)(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001287084112 1062249015 /nfs/dbraw/zinc/24/90/15/1062249015.db2.gz GGLJGRFPVDCVMW-HXUWFJFHSA-N 1 0 460.648 2.542 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC001294691888 1062251202 /nfs/dbraw/zinc/25/12/02/1062251202.db2.gz CKACZTIBCPRMDJ-LJQANCHMSA-N 1 0 496.703 2.789 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001294692004 1062251663 /nfs/dbraw/zinc/25/16/63/1062251663.db2.gz FYAJEUNJQFPBPQ-GMAHTHKFSA-N 1 0 476.666 2.571 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)cc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001294691995 1062251770 /nfs/dbraw/zinc/25/17/70/1062251770.db2.gz FLZMUYNABWOZST-UHFFFAOYSA-N 1 0 490.674 2.512 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 ZINC001294692874 1062252306 /nfs/dbraw/zinc/25/23/06/1062252306.db2.gz DRDPMHUECNITRS-GVDBMIGSSA-N 1 0 462.611 2.634 20 0 JFADRO Cc1nc(CN2CCCN(c3nnc(C)n3Cc3ccccc3C[N@@H+](C)C(C)C)CC2)no1 ZINC001290467875 1062253518 /nfs/dbraw/zinc/25/35/18/1062253518.db2.gz MEBNMBGKYLYHHJ-UHFFFAOYSA-N 1 0 452.607 2.879 20 0 JFADRO Cc1nc(S(=O)(=O)N2CCN(c3nnc(C(C)C)n3CC[NH+]3CCCCCC3)CC2)cs1 ZINC001290467899 1062253623 /nfs/dbraw/zinc/25/36/23/1062253623.db2.gz AIFYMRBJKCLGQN-UHFFFAOYSA-N 1 0 481.692 2.553 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001294694695 1062255178 /nfs/dbraw/zinc/25/51/78/1062255178.db2.gz LMKINDCTDOMJTG-ZJCBTPCYSA-N 1 0 476.666 2.845 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCS(=O)(=O)CC1 ZINC001294695583 1062257036 /nfs/dbraw/zinc/25/70/36/1062257036.db2.gz OFQGRBQCOKBZCD-QGZVFWFLSA-N 1 0 499.479 2.545 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC001294696354 1062257991 /nfs/dbraw/zinc/25/79/91/1062257991.db2.gz QTYRYLQFUVJQAJ-MYGLTJDJSA-N 1 0 496.722 2.796 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294697593 1062259241 /nfs/dbraw/zinc/25/92/41/1062259241.db2.gz UVDQZOJAROBPNK-SJLPKXTDSA-N 1 0 492.466 2.978 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294697589 1062259474 /nfs/dbraw/zinc/25/94/74/1062259474.db2.gz UVDQZOJAROBPNK-AEFFLSMTSA-N 1 0 492.466 2.978 20 0 JFADRO Cc1nc(CN2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)cs1 ZINC001290470031 1062260852 /nfs/dbraw/zinc/26/08/52/1062260852.db2.gz XMKANJKMUIGUDC-IBGZPJMESA-N 1 0 461.680 2.847 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(F)c1 ZINC001294698838 1062262729 /nfs/dbraw/zinc/26/27/29/1062262729.db2.gz ZOTFLGZVUGYOLK-FXAWDEMLSA-N 1 0 466.627 2.928 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 ZINC001294699888 1062264887 /nfs/dbraw/zinc/26/48/87/1062264887.db2.gz UIORHDONPJVHSM-QHCPKHFHSA-N 1 0 498.720 2.929 20 0 JFADRO Cc1ncc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC001290474757 1062265642 /nfs/dbraw/zinc/26/56/42/1062265642.db2.gz SFVHKYMOWDHOHP-KRWDZBQOSA-N 1 0 484.630 2.828 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001294700394 1062265683 /nfs/dbraw/zinc/26/56/83/1062265683.db2.gz SEPKCLCLVATTBE-AZUAARDMSA-N 1 0 470.618 2.799 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294700538 1062266750 /nfs/dbraw/zinc/26/67/50/1062266750.db2.gz XMPYEMBPCNAMQF-LVCYWYKZSA-N 1 0 459.566 2.709 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCCN1CCOCC1 ZINC001287087381 1062267232 /nfs/dbraw/zinc/26/72/32/1062267232.db2.gz AVUHJOVUSBKRJF-NHCUHLMSSA-N 1 0 462.683 2.840 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 ZINC001294701441 1062267356 /nfs/dbraw/zinc/26/73/56/1062267356.db2.gz ZYNFVQJRUHUIFU-IBGZPJMESA-N 1 0 456.591 2.553 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294706327 1062269796 /nfs/dbraw/zinc/26/97/96/1062269796.db2.gz ASICCRCNEYRCAP-NHCUHLMSSA-N 1 0 457.623 2.794 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294706716 1062270402 /nfs/dbraw/zinc/27/04/02/1062270402.db2.gz CSKSMGBSPHEBQW-RTWAWAEBSA-N 1 0 460.648 2.536 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[NH+]2CCCCC2)s1 ZINC001290481163 1062271192 /nfs/dbraw/zinc/27/11/92/1062271192.db2.gz RTADBDQMPLWOAJ-FUHWJXTLSA-N 1 0 466.677 2.846 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294707201 1062271054 /nfs/dbraw/zinc/27/10/54/1062271054.db2.gz FEVDWRLQGIEFSU-TZIWHRDSSA-N 1 0 454.619 2.809 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001294707769 1062272540 /nfs/dbraw/zinc/27/25/40/1062272540.db2.gz AQKOGEWCNABBIW-OAQYLSRUSA-N 1 0 470.618 2.747 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC001294707767 1062273001 /nfs/dbraw/zinc/27/30/01/1062273001.db2.gz AQKOGEWCNABBIW-NRFANRHFSA-N 1 0 470.618 2.747 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001290489300 1062275796 /nfs/dbraw/zinc/27/57/96/1062275796.db2.gz OMBJQQSZUIAQDS-FDDCHVKYSA-N 1 0 491.662 2.818 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709374 1062277047 /nfs/dbraw/zinc/27/70/47/1062277047.db2.gz VGCFGCOAYBURDM-NHCUHLMSSA-N 1 0 462.639 2.961 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C ZINC001294709453 1062277821 /nfs/dbraw/zinc/27/78/21/1062277821.db2.gz MARGQOWKIJOIMN-QGZVFWFLSA-N 1 0 463.030 2.688 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001294710028 1062278188 /nfs/dbraw/zinc/27/81/88/1062278188.db2.gz NCACVTBSIPJIRX-FQEVSTJZSA-N 1 0 456.639 2.652 20 0 JFADRO CC(C)(Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCOCC1)[NH+]1CCCCC1 ZINC001287089857 1062279215 /nfs/dbraw/zinc/27/92/15/1062279215.db2.gz AMBCTHDBGUFUBD-UHFFFAOYSA-N 1 0 461.632 2.840 20 0 JFADRO Cc1nccc(N2CCN(c3nnc([C@@H](C)Oc4ccc(F)cc4)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001290496319 1062285319 /nfs/dbraw/zinc/28/53/19/1062285319.db2.gz JEBONDJMNAYOAV-ZWKOTPCHSA-N 1 0 468.581 2.932 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001294719509 1062293333 /nfs/dbraw/zinc/29/33/33/1062293333.db2.gz GOWYXGYBHYMHFL-QFQXNSOFSA-N 1 0 490.693 2.889 20 0 JFADRO Cc1nccc(N2CCN(c3nnc(CCOc4ccccc4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001290502030 1062296902 /nfs/dbraw/zinc/29/69/02/1062296902.db2.gz VKFYNPNCNXXDQY-UHFFFAOYSA-N 1 0 478.645 2.912 20 0 JFADRO CCOc1ccc(C2N=NC(=S)N2CCC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC001294721615 1062297927 /nfs/dbraw/zinc/29/79/27/1062297927.db2.gz XRIGFVVNTFRSNU-FQEVSTJZSA-N 1 0 459.616 2.736 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001287099608 1062308163 /nfs/dbraw/zinc/30/81/63/1062308163.db2.gz JJRDOMJTCTWVBH-UHFFFAOYSA-N 1 0 499.534 2.578 20 0 JFADRO Cc1nccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001290511375 1062310974 /nfs/dbraw/zinc/31/09/74/1062310974.db2.gz SGCQRTZCQBVGLM-UHFFFAOYSA-N 1 0 482.608 2.863 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001294731549 1062312313 /nfs/dbraw/zinc/31/23/13/1062312313.db2.gz VRSCCWBGJRUUBM-PMACEKPBSA-N 1 0 454.623 2.552 20 0 JFADRO Cc1nccn1CCCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001290514636 1062313398 /nfs/dbraw/zinc/31/33/98/1062313398.db2.gz AADXZGWQZFXKJI-UHFFFAOYSA-N 1 0 453.639 2.908 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)Cc2ccccc2)CC1=O ZINC001294735427 1062320389 /nfs/dbraw/zinc/32/03/89/1062320389.db2.gz RLMUZDMJSHOLIW-UHFFFAOYSA-N 1 0 461.614 2.845 20 0 JFADRO CCCN1CCCN(c2nnc(CN3CCCC3=O)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1=O ZINC001294740199 1062323782 /nfs/dbraw/zinc/32/37/82/1062323782.db2.gz MOJHLLGSMNIEHF-VXKWHMMOSA-N 1 0 487.693 2.607 20 0 JFADRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741893 1062328281 /nfs/dbraw/zinc/32/82/81/1062328281.db2.gz SRONZDAMFXGAQO-BLLLJJGKSA-N 1 0 453.914 2.580 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 ZINC001294743681 1062333065 /nfs/dbraw/zinc/33/30/65/1062333065.db2.gz DUICVQKPWOYRNB-QFIPXVFZSA-N 1 0 481.645 2.643 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC001294743625 1062333112 /nfs/dbraw/zinc/33/31/12/1062333112.db2.gz SFUOCIAQRPPSNL-ZDXQCDESSA-N 1 0 490.693 2.961 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(CC)(CC)C1 ZINC001294744002 1062334567 /nfs/dbraw/zinc/33/45/67/1062334567.db2.gz JMNUOEMTCRSNJI-ROUUACIJSA-N 1 0 472.725 2.875 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294744455 1062335818 /nfs/dbraw/zinc/33/58/18/1062335818.db2.gz USRRENYVENTGFK-JKSUJKDBSA-N 1 0 467.496 2.567 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001287114265 1062336374 /nfs/dbraw/zinc/33/63/74/1062336374.db2.gz DZPGWARQBXRFMH-VWLOTQADSA-N 1 0 470.687 2.805 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294745553 1062337574 /nfs/dbraw/zinc/33/75/74/1062337574.db2.gz RTXUXRDOUXPZBE-FCHUYYIVSA-N 1 0 474.675 2.776 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001294745191 1062337698 /nfs/dbraw/zinc/33/76/98/1062337698.db2.gz KJGDETWGBNBQNX-FQEVSTJZSA-N 1 0 458.607 2.700 20 0 JFADRO Cc1nccnc1N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+](C)C(C)C)CC1 ZINC001290538821 1062339542 /nfs/dbraw/zinc/33/95/42/1062339542.db2.gz UVZAMZSHIIELQL-UHFFFAOYSA-N 1 0 455.998 2.759 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294748854 1062340031 /nfs/dbraw/zinc/34/00/31/1062340031.db2.gz HKVQSKIONAOHQQ-FQEVSTJZSA-N 1 0 490.674 2.688 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001290541370 1062341248 /nfs/dbraw/zinc/34/12/48/1062341248.db2.gz FIQBVFRDHSXRAL-KRWDZBQOSA-N 1 0 465.606 2.644 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001294753614 1062342584 /nfs/dbraw/zinc/34/25/84/1062342584.db2.gz OYNLZOODQZITQR-ICSRJNTNSA-N 1 0 452.669 2.528 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294753829 1062342674 /nfs/dbraw/zinc/34/26/74/1062342674.db2.gz QPPUSIHKHCOAEK-OALUTQOASA-N 1 0 470.622 2.961 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC001294753597 1062342835 /nfs/dbraw/zinc/34/28/35/1062342835.db2.gz OPNKACOTRZMZIF-QYZOEREBSA-N 1 0 485.599 2.814 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001290542682 1062343910 /nfs/dbraw/zinc/34/39/10/1062343910.db2.gz SYWUCLBWDJGQCY-XDHUDOTRSA-N 1 0 459.639 2.788 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294756462 1062346584 /nfs/dbraw/zinc/34/65/84/1062346584.db2.gz AHNOHIJWRFLZKX-GMAHTHKFSA-N 1 0 488.702 2.798 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001287116575 1062346988 /nfs/dbraw/zinc/34/69/88/1062346988.db2.gz UZDYRHFQYXKRPU-FCHUYYIVSA-N 1 0 499.635 2.697 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001287116457 1062347048 /nfs/dbraw/zinc/34/70/48/1062347048.db2.gz NHUZSWVEVUFXMK-UHFFFAOYSA-N 1 0 453.635 2.691 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294759353 1062349249 /nfs/dbraw/zinc/34/92/49/1062349249.db2.gz CDCJCRCIOKWHMP-YZUZCNPQSA-N 1 0 497.706 2.597 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCN(CC(=O)N3CCCCC3)CC2)nnc1C(C)(C)C ZINC001294759519 1062349420 /nfs/dbraw/zinc/34/94/20/1062349420.db2.gz FLOMLSGJUAKIAJ-NRFANRHFSA-N 1 0 459.683 2.585 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1CCCC[NH+]1CCC(C)CC1 ZINC001290548245 1062349596 /nfs/dbraw/zinc/34/95/96/1062349596.db2.gz AJDYVSHRQVGHAC-UHFFFAOYSA-N 1 0 470.666 2.899 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290547975 1062349708 /nfs/dbraw/zinc/34/97/08/1062349708.db2.gz PYGYXDIIKURCFX-RTWAWAEBSA-N 1 0 468.581 2.658 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001294759572 1062349992 /nfs/dbraw/zinc/34/99/92/1062349992.db2.gz GNEZNPFHGVTZAL-IPJJNNNSSA-N 1 0 488.599 2.877 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001287117221 1062350728 /nfs/dbraw/zinc/35/07/28/1062350728.db2.gz FPWWNFIZBJNYIA-LEWJYISDSA-N 1 0 465.602 2.901 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001294761391 1062351401 /nfs/dbraw/zinc/35/14/01/1062351401.db2.gz XQKNXIRSOUWLQR-FQEVSTJZSA-N 1 0 461.632 2.583 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001287117442 1062351641 /nfs/dbraw/zinc/35/16/41/1062351641.db2.gz HPPQCKSRZMIHAX-ZCNNSNEGSA-N 1 0 458.607 2.809 20 0 JFADRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)c4ccccc43)cn2)CC1 ZINC001290549657 1062352816 /nfs/dbraw/zinc/35/28/16/1062352816.db2.gz VGVQEEFQUHWEPJ-HXUWFJFHSA-N 1 0 451.571 2.989 20 0 JFADRO O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC001290553369 1062355455 /nfs/dbraw/zinc/35/54/55/1062355455.db2.gz AWJWVWSRBCKRTI-WIOPSUGQSA-N 1 0 452.555 2.953 20 0 JFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC001290554975 1062358238 /nfs/dbraw/zinc/35/82/38/1062358238.db2.gz PYDCXZORLKJMQG-NRFANRHFSA-N 1 0 452.559 2.533 20 0 JFADRO CCCn1nc(-c2nnc(N(C)OC)n2CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2c1=O ZINC001294766491 1062358833 /nfs/dbraw/zinc/35/88/33/1062358833.db2.gz PWEISLDLDHBNLJ-GOSISDBHSA-N 1 0 469.590 2.564 20 0 JFADRO CCCn1nc(-c2nnc(N(C)OC)n2CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2c1=O ZINC001294766493 1062358970 /nfs/dbraw/zinc/35/89/70/1062358970.db2.gz PWEISLDLDHBNLJ-SFHVURJKSA-N 1 0 469.590 2.564 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287120162 1062361610 /nfs/dbraw/zinc/36/16/10/1062361610.db2.gz ZXPSDHOAXXGKAW-FQEVSTJZSA-N 1 0 461.699 2.634 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001287120164 1062361725 /nfs/dbraw/zinc/36/17/25/1062361725.db2.gz ZXPSDHOAXXGKAW-HXUWFJFHSA-N 1 0 461.699 2.634 20 0 JFADRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC001290561945 1062362613 /nfs/dbraw/zinc/36/26/13/1062362613.db2.gz ISQYTBCCSCJKHO-SFHVURJKSA-N 1 0 459.534 2.945 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001290562174 1062363257 /nfs/dbraw/zinc/36/32/57/1062363257.db2.gz CTFMVNWMLNYJFR-QHCPKHFHSA-N 1 0 472.682 2.923 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001290562474 1062363852 /nfs/dbraw/zinc/36/38/52/1062363852.db2.gz BLVIUMQBNZIBHM-NRFANRHFSA-N 1 0 454.623 2.970 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001287120996 1062365639 /nfs/dbraw/zinc/36/56/39/1062365639.db2.gz TYFISNHDLIQBEI-HXUWFJFHSA-N 1 0 496.660 2.787 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001290563297 1062365543 /nfs/dbraw/zinc/36/55/43/1062365543.db2.gz MABJHJSBHAMWPF-OYRHEFFESA-N 1 0 486.709 2.648 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001287121891 1062369980 /nfs/dbraw/zinc/36/99/80/1062369980.db2.gz JLMFTQYEEBTCKA-SFTDATJTSA-N 1 0 489.709 2.507 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001294771173 1062370267 /nfs/dbraw/zinc/37/02/67/1062370267.db2.gz NRWVMKIRYYFLQX-VQTJNVASSA-N 1 0 481.645 2.621 20 0 JFADRO CCCn1nc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294771973 1062372049 /nfs/dbraw/zinc/37/20/49/1062372049.db2.gz WMZGEBYYBCIVMS-IRXDYDNUSA-N 1 0 455.632 2.957 20 0 JFADRO CCCn1nc(-c2nnc(N3CCS[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294771974 1062372152 /nfs/dbraw/zinc/37/21/52/1062372152.db2.gz WMZGEBYYBCIVMS-SJORKVTESA-N 1 0 455.632 2.957 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001287122829 1062374538 /nfs/dbraw/zinc/37/45/38/1062374538.db2.gz XOYHJWBYOQURDN-NHCUHLMSSA-N 1 0 462.683 2.801 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@@H]2C)C1 ZINC001287124103 1062380030 /nfs/dbraw/zinc/38/00/30/1062380030.db2.gz GLKZDEHIPPCTPY-UNMCSNQZSA-N 1 0 453.635 2.737 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001294780856 1062384615 /nfs/dbraw/zinc/38/46/15/1062384615.db2.gz OLORDSJSDAFKGC-GOTSBHOMSA-N 1 0 495.672 2.824 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001287124905 1062384691 /nfs/dbraw/zinc/38/46/91/1062384691.db2.gz XNQCTVMYLJRXSQ-QHCPKHFHSA-N 1 0 489.709 2.534 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001294780912 1062385151 /nfs/dbraw/zinc/38/51/51/1062385151.db2.gz OSSUQGSZKDMSNK-NZQKXSOJSA-N 1 0 495.672 2.606 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC001294780915 1062385248 /nfs/dbraw/zinc/38/52/48/1062385248.db2.gz OSSUQGSZKDMSNK-OFNKIYASSA-N 1 0 495.672 2.606 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001287125729 1062388660 /nfs/dbraw/zinc/38/86/60/1062388660.db2.gz HPQNWMWACUWOGA-FGZHOGPDSA-N 1 0 487.693 2.654 20 0 JFADRO CCN1CCC([NH+]2CCC(C(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001294783061 1062389551 /nfs/dbraw/zinc/38/95/51/1062389551.db2.gz RJEVTYTVGHDOGV-FQEVSTJZSA-N 1 0 457.537 2.758 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2CCOCC2)C1 ZINC001294787748 1062392484 /nfs/dbraw/zinc/39/24/84/1062392484.db2.gz AVRKPRKOAFLQCM-HXUWFJFHSA-N 1 0 458.607 2.702 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC(C)(C)C[NH+](C)C)C2)n1 ZINC001290586378 1062396890 /nfs/dbraw/zinc/39/68/90/1062396890.db2.gz LETNSZILZWXWKR-IBGZPJMESA-N 1 0 499.689 2.907 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294790550 1062403133 /nfs/dbraw/zinc/40/31/33/1062403133.db2.gz RCULLYDGRPQITP-NHCUHLMSSA-N 1 0 472.634 2.946 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001290590658 1062406022 /nfs/dbraw/zinc/40/60/22/1062406022.db2.gz NMAXSOKVQHUILV-GOSISDBHSA-N 1 0 472.663 2.855 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287132098 1062431232 /nfs/dbraw/zinc/43/12/32/1062431232.db2.gz ZUXQEWQMBTVCSB-UHFFFAOYSA-N 1 0 481.645 2.926 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC001294797500 1062433563 /nfs/dbraw/zinc/43/35/63/1062433563.db2.gz SBZXEGFLRMECBV-ZLNRFVROSA-N 1 0 495.672 2.837 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCc3cnccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290604992 1062437973 /nfs/dbraw/zinc/43/79/73/1062437973.db2.gz ADWZRYGZRGCYSB-OAQYLSRUSA-N 1 0 451.623 2.729 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001294800022 1062440844 /nfs/dbraw/zinc/44/08/44/1062440844.db2.gz JMLXZRXJROXLJV-HXUWFJFHSA-N 1 0 461.699 2.635 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCOC2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001287133218 1062440811 /nfs/dbraw/zinc/44/08/11/1062440811.db2.gz QRWRPYLEZPEKED-JOCHJYFZSA-N 1 0 468.646 2.827 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([NH+](C)C)CCCC1 ZINC001287133338 1062441626 /nfs/dbraw/zinc/44/16/26/1062441626.db2.gz ASYZXFQCPFEYAO-UHFFFAOYSA-N 1 0 456.591 2.757 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001294801149 1062442917 /nfs/dbraw/zinc/44/29/17/1062442917.db2.gz BNVZTDCDRDJTAF-IFMALSPDSA-N 1 0 468.646 2.962 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001294801151 1062442991 /nfs/dbraw/zinc/44/29/91/1062442991.db2.gz BNVZTDCDRDJTAF-IRLDBZIGSA-N 1 0 468.646 2.962 20 0 JFADRO C[C@H]1C[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C[N@@H+]1Cc1ccccc1 ZINC001294801247 1062444103 /nfs/dbraw/zinc/44/41/03/1062444103.db2.gz GBXZKBMDLBQBPH-WMLDXEAASA-N 1 0 456.340 2.824 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cccnc2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001287133816 1062445833 /nfs/dbraw/zinc/44/58/33/1062445833.db2.gz GQYLPNYZSFAIBN-UHFFFAOYSA-N 1 0 461.614 2.997 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001287133874 1062445922 /nfs/dbraw/zinc/44/59/22/1062445922.db2.gz XAEZBZHMVRPGCM-UXHICEINSA-N 1 0 458.607 2.811 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001287134114 1062448612 /nfs/dbraw/zinc/44/86/12/1062448612.db2.gz YVKOMRCGBKEIOU-UHFFFAOYSA-N 1 0 478.645 2.799 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001294803520 1062452752 /nfs/dbraw/zinc/45/27/52/1062452752.db2.gz LWDSQSWKXUBASO-AEFFLSMTSA-N 1 0 459.664 2.859 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001294803522 1062452767 /nfs/dbraw/zinc/45/27/67/1062452767.db2.gz LWDSQSWKXUBASO-FUHWJXTLSA-N 1 0 459.664 2.859 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001294809616 1062463846 /nfs/dbraw/zinc/46/38/46/1062463846.db2.gz BKIMZYRRAUZFKS-FYYLOGMGSA-N 1 0 473.710 2.779 20 0 JFADRO CC(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001287138665 1062485981 /nfs/dbraw/zinc/48/59/81/1062485981.db2.gz AKGJMALWFJDNIL-GOSISDBHSA-N 1 0 490.599 2.609 20 0 JFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)cc1 ZINC001290622736 1062487328 /nfs/dbraw/zinc/48/73/28/1062487328.db2.gz XIURZDWQLWZSMX-KBMIEXCESA-N 1 0 474.602 2.580 20 0 JFADRO CC(C)C(=O)NCCn1c(C2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001287140267 1062494273 /nfs/dbraw/zinc/49/42/73/1062494273.db2.gz RKSGGWKAWQRBQK-UHFFFAOYSA-N 1 0 467.662 2.966 20 0 JFADRO CC(C)C(=O)NCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287141037 1062499426 /nfs/dbraw/zinc/49/94/26/1062499426.db2.gz LFHQZBVCJXHDPY-OAQYLSRUSA-N 1 0 470.618 2.873 20 0 JFADRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2CC3(C2)CS(=O)(=O)C3)cc1Cl ZINC001294820424 1062501707 /nfs/dbraw/zinc/50/17/07/1062501707.db2.gz RZKMYAYQISPKMJ-UHFFFAOYSA-N 1 0 456.008 2.565 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCn2cc(Br)cn2)n1 ZINC001290628693 1062501759 /nfs/dbraw/zinc/50/17/59/1062501759.db2.gz NOAUBVDGRUHDQD-UHFFFAOYSA-N 1 0 490.454 2.766 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001290630026 1062503579 /nfs/dbraw/zinc/50/35/79/1062503579.db2.gz XPRPWHKVMBLCCW-ICSRJNTNSA-N 1 0 472.638 2.727 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@@H]2C)n1 ZINC001290630025 1062503617 /nfs/dbraw/zinc/50/36/17/1062503617.db2.gz XPRPWHKVMBLCCW-AZUAARDMSA-N 1 0 472.638 2.727 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287144790 1062509431 /nfs/dbraw/zinc/50/94/31/1062509431.db2.gz IJYYJVMZQYUIEY-HTAPYJJXSA-N 1 0 495.466 2.612 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287144797 1062509548 /nfs/dbraw/zinc/50/95/48/1062509548.db2.gz IJYYJVMZQYUIEY-VGSWGCGISA-N 1 0 495.466 2.612 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001294823374 1062511358 /nfs/dbraw/zinc/51/13/58/1062511358.db2.gz YVJWABQBFKIQAI-QGZVFWFLSA-N 1 0 458.607 2.655 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](n4cncn4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290635215 1062514557 /nfs/dbraw/zinc/51/45/57/1062514557.db2.gz LDNDBWQLDPDNBZ-SFTDATJTSA-N 1 0 454.627 2.549 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001294828101 1062514593 /nfs/dbraw/zinc/51/45/93/1062514593.db2.gz JURTWADLJDUMNV-NRFANRHFSA-N 1 0 472.609 2.796 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001290635996 1062517027 /nfs/dbraw/zinc/51/70/27/1062517027.db2.gz RAPHLSWITDLXAV-UGKGYDQZSA-N 1 0 470.666 2.613 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2C[C@@H](C)C[NH+]2CCCC2)n1 ZINC001290635994 1062517163 /nfs/dbraw/zinc/51/71/63/1062517163.db2.gz RAPHLSWITDLXAV-SIKLNZKXSA-N 1 0 470.666 2.613 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[N@@H+](C)C2CCCCC2)n1 ZINC001290636622 1062520080 /nfs/dbraw/zinc/52/00/80/1062520080.db2.gz ZSEXAWMEUKMIGI-NRFANRHFSA-N 1 0 470.666 2.886 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC001290638328 1062521298 /nfs/dbraw/zinc/52/12/98/1062521298.db2.gz BICKMAXQZRLMJQ-SIKLNZKXSA-N 1 0 491.706 2.665 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001287152092 1062525406 /nfs/dbraw/zinc/52/54/06/1062525406.db2.gz FKOHCCZSRATQPA-IBGZPJMESA-N 1 0 496.660 2.787 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCC[C@H](C)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001290640133 1062525765 /nfs/dbraw/zinc/52/57/65/1062525765.db2.gz RSQCVBZQMXHNJW-SIKLNZKXSA-N 1 0 470.666 2.709 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001287153048 1062528465 /nfs/dbraw/zinc/52/84/65/1062528465.db2.gz KGOWCAAWVBPGSY-FDDCHVKYSA-N 1 0 460.648 2.741 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001290640983 1062528661 /nfs/dbraw/zinc/52/86/61/1062528661.db2.gz MXLWITONMCRUFN-SFHVURJKSA-N 1 0 470.588 2.800 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](C(C)(C)C)CC3)n2Cc2nccc(C(F)F)n2)n1 ZINC001290642399 1062532679 /nfs/dbraw/zinc/53/26/79/1062532679.db2.gz ZIMWLCXEUREVOO-UHFFFAOYSA-N 1 0 459.549 2.836 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001287155591 1062539689 /nfs/dbraw/zinc/53/96/89/1062539689.db2.gz CUGBSUQQRIRTHZ-LJQANCHMSA-N 1 0 469.055 2.704 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001294846686 1062542825 /nfs/dbraw/zinc/54/28/25/1062542825.db2.gz UOGFLTMBMGVLLG-QGZVFWFLSA-N 1 0 479.000 2.812 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCn4cc(C(F)(F)F)nc4C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290647927 1062543512 /nfs/dbraw/zinc/54/35/12/1062543512.db2.gz QUURSMMMLVBKSR-UHFFFAOYSA-N 1 0 465.528 2.715 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001294846856 1062544170 /nfs/dbraw/zinc/54/41/70/1062544170.db2.gz WHTPLHKLYCEFRE-FQEVSTJZSA-N 1 0 470.618 2.943 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCOCC1 ZINC001287156461 1062544266 /nfs/dbraw/zinc/54/42/66/1062544266.db2.gz OEDONVLPOKQPCV-UYAOXDASSA-N 1 0 481.567 2.770 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156925 1062545703 /nfs/dbraw/zinc/54/57/03/1062545703.db2.gz RVEYFBMEJANXBH-TZIWHRDSSA-N 1 0 460.648 2.864 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCn1cccn1)[NH+]1CCOCC1 ZINC001287157736 1062548600 /nfs/dbraw/zinc/54/86/00/1062548600.db2.gz OUKHDAXZLJXBBF-IBGZPJMESA-N 1 0 491.438 2.725 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001290650055 1062548921 /nfs/dbraw/zinc/54/89/21/1062548921.db2.gz XMSRIVPJCZAKQN-FCHUYYIVSA-N 1 0 473.666 2.628 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC001290651444 1062550340 /nfs/dbraw/zinc/55/03/40/1062550340.db2.gz CMPRFJVXQUBIMO-HVETUWLQSA-N 1 0 455.582 2.789 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001287160282 1062558281 /nfs/dbraw/zinc/55/82/81/1062558281.db2.gz HNMJUPPVGSGVSG-NRFANRHFSA-N 1 0 480.661 2.988 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001287160347 1062558985 /nfs/dbraw/zinc/55/89/85/1062558985.db2.gz QXCGWFGRTBWRBG-WFXMLNOXSA-N 1 0 456.591 2.611 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccccc1F)[NH+]1CCOCC1 ZINC001287160895 1062561191 /nfs/dbraw/zinc/56/11/91/1062561191.db2.gz HHOVEFQVPAOJON-OAQYLSRUSA-N 1 0 469.565 2.746 20 0 JFADRO CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287161521 1062563501 /nfs/dbraw/zinc/56/35/01/1062563501.db2.gz AXPJOVAAQUDHSC-ZCNNSNEGSA-N 1 0 489.665 2.623 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F)[NH+]1CCOCC1 ZINC001287161609 1062563595 /nfs/dbraw/zinc/56/35/95/1062563595.db2.gz JFTWIKRVXUSMBQ-GOSISDBHSA-N 1 0 499.632 2.686 20 0 JFADRO CC(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287162152 1062564833 /nfs/dbraw/zinc/56/48/33/1062564833.db2.gz GBFZUTVOQBFNKK-JOCHJYFZSA-N 1 0 480.723 2.897 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(-c4cnccn4)n3CCC[NH+](C(C)C)C(C)C)CCO2)n1 ZINC001290660318 1062565998 /nfs/dbraw/zinc/56/59/98/1062565998.db2.gz LSSWQTZQYJCPHM-QFIPXVFZSA-N 1 0 481.649 2.963 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001290660332 1062566598 /nfs/dbraw/zinc/56/65/98/1062566598.db2.gz MAPUBSLJESAQBF-HSZRJFAPSA-N 1 0 466.634 2.713 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(CC(C)(C)C)n3CCN3CC[N@@H+](C)C(C)(C)C3)CCO2)n1 ZINC001290660400 1062566763 /nfs/dbraw/zinc/56/67/63/1062566763.db2.gz MPOHXNYXBXGVRG-JOCHJYFZSA-N 1 0 486.709 2.611 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001287163075 1062566870 /nfs/dbraw/zinc/56/68/70/1062566870.db2.gz UIKGVOJWFVRUSL-DYXWJJEUSA-N 1 0 462.664 2.642 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001287163077 1062566912 /nfs/dbraw/zinc/56/69/12/1062566912.db2.gz UIKGVOJWFVRUSL-SBHAEUEKSA-N 1 0 462.664 2.642 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001287163079 1062566954 /nfs/dbraw/zinc/56/69/54/1062566954.db2.gz UIKGVOJWFVRUSL-ZJOUEHCJSA-N 1 0 462.664 2.642 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287164621 1062574616 /nfs/dbraw/zinc/57/46/16/1062574616.db2.gz LIDUBWHJQBHILU-SLFFLAALSA-N 1 0 453.653 2.654 20 0 JFADRO CC(C)c1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)n1 ZINC001287167557 1062580229 /nfs/dbraw/zinc/58/02/29/1062580229.db2.gz UBVLNPQMNRFPDZ-INIZCTEOSA-N 1 0 481.692 2.581 20 0 JFADRO CC(C)c1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CC(C)(C)C[NH+](C)C)CC2)n1 ZINC001287167587 1062580698 /nfs/dbraw/zinc/58/06/98/1062580698.db2.gz VHXLOUVHNMVDHA-IBGZPJMESA-N 1 0 456.639 2.610 20 0 JFADRO Cc1nnc(CCCn2c(CC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC001290679761 1062591778 /nfs/dbraw/zinc/59/17/78/1062591778.db2.gz KXPALYAABJHBIG-FQEVSTJZSA-N 1 0 460.696 2.874 20 0 JFADRO CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001287191201 1062616781 /nfs/dbraw/zinc/61/67/81/1062616781.db2.gz AERDDNBXPOBUIG-ZHRRBRCNSA-N 1 0 459.620 2.580 20 0 JFADRO CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287198983 1062634923 /nfs/dbraw/zinc/63/49/23/1062634923.db2.gz FFHHGDUZABGZCW-SFHVURJKSA-N 1 0 454.666 2.626 20 0 JFADRO Cc1nnc(N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001290706212 1062639607 /nfs/dbraw/zinc/63/96/07/1062639607.db2.gz UGVGAQXVROBJTL-GCJKJVERSA-N 1 0 456.591 2.977 20 0 JFADRO CC(C)c1nnc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1CCCNS(C)(=O)=O ZINC001287204258 1062649492 /nfs/dbraw/zinc/64/94/92/1062649492.db2.gz PCBFOXZNVVPTOH-UHFFFAOYSA-N 1 0 474.675 2.833 20 0 JFADRO CCCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294908860 1062649749 /nfs/dbraw/zinc/64/97/49/1062649749.db2.gz UTUNFUFJMVPKGD-BGYRXZFFSA-N 1 0 486.636 2.860 20 0 JFADRO Cc1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290718645 1062650850 /nfs/dbraw/zinc/65/08/50/1062650850.db2.gz HHINDWSIFZEIJT-PMACEKPBSA-N 1 0 456.635 2.947 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287208565 1062654855 /nfs/dbraw/zinc/65/48/55/1062654855.db2.gz FOCBKRPVHRSMPX-SIKLNZKXSA-N 1 0 484.736 2.670 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287208556 1062654999 /nfs/dbraw/zinc/65/49/99/1062654999.db2.gz FOCBKRPVHRSMPX-DENIHFKCSA-N 1 0 484.736 2.670 20 0 JFADRO Cc1nnc(N(C)CCCNC(=O)C2CCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290734568 1062656513 /nfs/dbraw/zinc/65/65/13/1062656513.db2.gz ZFRFQAIGJIBHPK-HSZRJFAPSA-N 1 0 454.619 2.620 20 0 JFADRO CC(C)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287212093 1062666126 /nfs/dbraw/zinc/66/61/26/1062666126.db2.gz MBKVCONFISGHPH-UHFFFAOYSA-N 1 0 485.652 2.919 20 0 JFADRO Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290749674 1062667240 /nfs/dbraw/zinc/66/72/40/1062667240.db2.gz FOZKNBZIKCDVED-PXNSSMCTSA-N 1 0 458.607 2.925 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001290763063 1062678358 /nfs/dbraw/zinc/67/83/58/1062678358.db2.gz PHADPFNEDWSIGR-HXUWFJFHSA-N 1 0 482.673 2.969 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 ZINC001294923649 1062691413 /nfs/dbraw/zinc/69/14/13/1062691413.db2.gz UMCAAGVSMOWVFM-UHFFFAOYSA-N 1 0 451.564 2.812 20 0 JFADRO Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001290800005 1062704651 /nfs/dbraw/zinc/70/46/51/1062704651.db2.gz IGHZAMCEEFCPFG-LJQANCHMSA-N 1 0 453.509 2.771 20 0 JFADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001290802916 1062706813 /nfs/dbraw/zinc/70/68/13/1062706813.db2.gz CJIOGRPVVQBJHV-QGZVFWFLSA-N 1 0 455.502 2.765 20 0 JFADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290808003 1062709965 /nfs/dbraw/zinc/70/99/65/1062709965.db2.gz AQDAAUIIUUZJJV-JOCHJYFZSA-N 1 0 467.549 2.570 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2Cc2nncn2C)cc1OC ZINC001294933985 1062710742 /nfs/dbraw/zinc/71/07/42/1062710742.db2.gz QYWGESMCXKYDDB-UHFFFAOYSA-N 1 0 468.606 2.886 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001294934449 1062712186 /nfs/dbraw/zinc/71/21/86/1062712186.db2.gz JJMLJLXPLHXMTF-PMACEKPBSA-N 1 0 470.618 2.929 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001294934452 1062712227 /nfs/dbraw/zinc/71/22/27/1062712227.db2.gz JJMLJLXPLHXMTF-UXHICEINSA-N 1 0 470.618 2.929 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001294934454 1062712361 /nfs/dbraw/zinc/71/23/61/1062712361.db2.gz JJMLJLXPLHXMTF-VQTJNVASSA-N 1 0 470.618 2.929 20 0 JFADRO O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC001290815227 1062712588 /nfs/dbraw/zinc/71/25/88/1062712588.db2.gz SLWRTKGYNHODNB-UHFFFAOYSA-N 1 0 455.502 2.896 20 0 JFADRO CC(C)c1nnc(N2CCN(CCOc3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287225203 1062713874 /nfs/dbraw/zinc/71/38/74/1062713874.db2.gz XATLHXYOIDQHKI-UHFFFAOYSA-N 1 0 470.662 2.838 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC001294939420 1062719406 /nfs/dbraw/zinc/71/94/06/1062719406.db2.gz RNMROPKFKYJEHD-LJQANCHMSA-N 1 0 470.618 2.753 20 0 JFADRO CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001287232051 1062722238 /nfs/dbraw/zinc/72/22/38/1062722238.db2.gz SUAVUXASNSAKSE-HDICACEKSA-N 1 0 450.653 2.753 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[N@@H+]4CCCC[C@@H]4C3)n2CC(=O)NC(C)C)cc1OC ZINC001294940652 1062726663 /nfs/dbraw/zinc/72/66/63/1062726663.db2.gz SXDCGJLCFJHHML-HXUWFJFHSA-N 1 0 470.618 2.942 20 0 JFADRO Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001290834194 1062726896 /nfs/dbraw/zinc/72/68/96/1062726896.db2.gz VLXXYTVKNMFQJH-JZWVFAODSA-N 1 0 466.696 2.928 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1)[NH+]1CCCC1 ZINC001287235369 1062727622 /nfs/dbraw/zinc/72/76/22/1062727622.db2.gz ZNMHDPVGQFCFFN-BHIFYINESA-N 1 0 496.722 2.604 20 0 JFADRO Cc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837736 1062728061 /nfs/dbraw/zinc/72/80/61/1062728061.db2.gz KMCSRVBFLNFABE-WOJBJXKFSA-N 1 0 450.628 2.971 20 0 JFADRO Cc1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290837733 1062728238 /nfs/dbraw/zinc/72/82/38/1062728238.db2.gz KMCSRVBFLNFABE-PMACEKPBSA-N 1 0 450.628 2.971 20 0 JFADRO CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)cc1 ZINC001294948625 1062734553 /nfs/dbraw/zinc/73/45/53/1062734553.db2.gz DJCCOQRYJJWQRW-IBGZPJMESA-N 1 0 490.674 2.790 20 0 JFADRO Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001290851672 1062735371 /nfs/dbraw/zinc/73/53/71/1062735371.db2.gz DGMVLJUNHQAZOS-OALUTQOASA-N 1 0 472.609 2.505 20 0 JFADRO CC(C)C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOCC[NH+](C)C)CC1 ZINC001287258735 1062737521 /nfs/dbraw/zinc/73/75/21/1062737521.db2.gz NMDGJGWNZNWZIV-UHFFFAOYSA-N 1 0 477.679 2.689 20 0 JFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCO1 ZINC001287263982 1062738605 /nfs/dbraw/zinc/73/86/05/1062738605.db2.gz HWFHYHIZMSQKHP-ZWKOTPCHSA-N 1 0 453.530 2.709 20 0 JFADRO CCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)cc1 ZINC001294959055 1062741787 /nfs/dbraw/zinc/74/17/87/1062741787.db2.gz YFOKCLDXFWODHJ-IBGZPJMESA-N 1 0 453.591 2.673 20 0 JFADRO NC(=O)c1ccccc1NCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC001290859033 1062743301 /nfs/dbraw/zinc/74/33/01/1062743301.db2.gz BBUDQDDBHCRXCP-UHFFFAOYSA-N 1 0 457.578 2.836 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001287273860 1062746669 /nfs/dbraw/zinc/74/66/69/1062746669.db2.gz GJJCBYAQJFUNKN-OALUTQOASA-N 1 0 455.607 2.907 20 0 JFADRO Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290863093 1062746907 /nfs/dbraw/zinc/74/69/07/1062746907.db2.gz LCYUTWSZGIUQGE-RTBURBONSA-N 1 0 456.639 2.714 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001290868453 1062751524 /nfs/dbraw/zinc/75/15/24/1062751524.db2.gz YIJFJKHYONVYGR-FDFHNCONSA-N 1 0 473.710 2.724 20 0 JFADRO CCCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cn1 ZINC001294969385 1062751525 /nfs/dbraw/zinc/75/15/25/1062751525.db2.gz UYZBXZXRPSCTDE-OALUTQOASA-N 1 0 455.607 2.552 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290869132 1062752699 /nfs/dbraw/zinc/75/26/99/1062752699.db2.gz CZQPJCJGZFSQSR-UHFFFAOYSA-N 1 0 459.683 2.525 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C)CCS1 ZINC001287277193 1062753427 /nfs/dbraw/zinc/75/34/27/1062753427.db2.gz KSJDKZUUOJJCLM-APWZRJJASA-N 1 0 451.662 2.877 20 0 JFADRO CCCOc1cccc(CCn2c(C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001294972882 1062755803 /nfs/dbraw/zinc/75/58/03/1062755803.db2.gz OJQBKKXTEZZHKX-NBGIEHNGSA-N 1 0 468.646 2.997 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290870621 1062755988 /nfs/dbraw/zinc/75/59/88/1062755988.db2.gz VTUIBDDXTSQSIS-OAQYLSRUSA-N 1 0 471.606 2.851 20 0 JFADRO Cc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1Cl ZINC001290875798 1062759625 /nfs/dbraw/zinc/75/96/25/1062759625.db2.gz GEFURLPMSZOOEI-NRFANRHFSA-N 1 0 465.017 2.853 20 0 JFADRO Cc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC1CC(OC(C)(C)C)C1 ZINC001290875915 1062760644 /nfs/dbraw/zinc/76/06/44/1062760644.db2.gz HJGUADRPUYBCCU-XPPIMPSXSA-N 1 0 462.683 2.802 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(C)(C)C[NH+](C)C)CCO1 ZINC001287287278 1062761235 /nfs/dbraw/zinc/76/12/35/1062761235.db2.gz LUWDCHFMYMCBJQ-OAQYLSRUSA-N 1 0 470.666 2.901 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001287287932 1062762378 /nfs/dbraw/zinc/76/23/78/1062762378.db2.gz OZBJOUVKGXMPKH-UXHICEINSA-N 1 0 451.681 2.985 20 0 JFADRO Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001290877427 1062762527 /nfs/dbraw/zinc/76/25/27/1062762527.db2.gz WDIYWMIIQWKJKY-UHFFFAOYSA-N 1 0 454.497 2.520 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3cccc(Br)c3)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001290881713 1062764170 /nfs/dbraw/zinc/76/41/70/1062764170.db2.gz CJYAOCJYUMHRCA-HXUWFJFHSA-N 1 0 477.451 2.953 20 0 JFADRO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001290886870 1062765760 /nfs/dbraw/zinc/76/57/60/1062765760.db2.gz CPQJUUJFZGJAAA-XZOQPEGZSA-N 1 0 484.645 2.881 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001287292575 1062765713 /nfs/dbraw/zinc/76/57/13/1062765713.db2.gz PTMUJGPUWPJGHE-NRFANRHFSA-N 1 0 457.692 2.868 20 0 JFADRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C1 ZINC001290890258 1062768308 /nfs/dbraw/zinc/76/83/08/1062768308.db2.gz BNCVYMVHRHYDAD-GAJHUEQPSA-N 1 0 451.546 2.794 20 0 JFADRO C[C@@H]1CN(c2ccc(CNC(=O)CC[NH+]3CCN(c4cccc(Cl)c4)CC3)cn2)CCO1 ZINC001290893663 1062769565 /nfs/dbraw/zinc/76/95/65/1062769565.db2.gz FXBZANDFKVQEMC-LJQANCHMSA-N 1 0 458.006 2.789 20 0 JFADRO Cc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001290898282 1062771612 /nfs/dbraw/zinc/77/16/12/1062771612.db2.gz VOSUCGGFFUQLJT-CTNGQTDRSA-N 1 0 469.634 2.901 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001287299065 1062772250 /nfs/dbraw/zinc/77/22/50/1062772250.db2.gz MKESZRSFCUWKJN-XLNZFTOWSA-N 1 0 494.706 2.995 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294987012 1062775219 /nfs/dbraw/zinc/77/52/19/1062775219.db2.gz MDBQKEPTXIXIDM-QHAWAJNXSA-N 1 0 464.655 2.701 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC001290902564 1062775660 /nfs/dbraw/zinc/77/56/60/1062775660.db2.gz LXGOTUIXICVRFC-QRVBRYPASA-N 1 0 474.654 2.864 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001294990459 1062778508 /nfs/dbraw/zinc/77/85/08/1062778508.db2.gz GXKFNICPZYHJTJ-HKWRFOASSA-N 1 0 452.584 2.751 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001295005822 1062792838 /nfs/dbraw/zinc/79/28/38/1062792838.db2.gz IBGPCXBHKQLNLY-YADHBBJMSA-N 1 0 476.666 2.543 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1)[NH+](C)C ZINC001287319656 1062792936 /nfs/dbraw/zinc/79/29/36/1062792936.db2.gz MPPABVARZRLUGF-BWKNWUBXSA-N 1 0 472.609 2.727 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001295007288 1062794524 /nfs/dbraw/zinc/79/45/24/1062794524.db2.gz SMVABEXVHIYFML-HSZRJFAPSA-N 1 0 456.635 2.896 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320548 1062794456 /nfs/dbraw/zinc/79/44/56/1062794456.db2.gz VUZAQWFPLOUPCN-OALUTQOASA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001287320905 1062796187 /nfs/dbraw/zinc/79/61/87/1062796187.db2.gz YMFYOASTQFPPTJ-JTHBVZDNSA-N 1 0 484.645 2.775 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(COc3ccccc3OC)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001295009578 1062798109 /nfs/dbraw/zinc/79/81/09/1062798109.db2.gz XTMWMEJVLULNIX-NBGIEHNGSA-N 1 0 473.618 2.718 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc(-c2ccccn2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001290924434 1062798930 /nfs/dbraw/zinc/79/89/30/1062798930.db2.gz GONMBDDQONGESZ-UHFFFAOYSA-N 1 0 452.607 2.855 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+](C)C ZINC001287322130 1062799931 /nfs/dbraw/zinc/79/99/31/1062799931.db2.gz NKMOFKNSEXCWGX-QRWLVFNGSA-N 1 0 466.428 2.714 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290925061 1062800025 /nfs/dbraw/zinc/80/00/25/1062800025.db2.gz CWNLZEYPMFXIIU-QRWLVFNGSA-N 1 0 493.609 2.572 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccc(O)cc2)CC1)[NH+](C)C ZINC001287322929 1062800811 /nfs/dbraw/zinc/80/08/11/1062800811.db2.gz SVUIDDVIUUCRBC-NQIIRXRSSA-N 1 0 492.690 2.954 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2O)CC1)[NH+](C)C ZINC001287327807 1062801681 /nfs/dbraw/zinc/80/16/81/1062801681.db2.gz BCQUEEQFSRJJOA-LJQANCHMSA-N 1 0 465.602 2.918 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287328508 1062802906 /nfs/dbraw/zinc/80/29/06/1062802906.db2.gz GZIRVMUFGSDFAJ-GMAHTHKFSA-N 1 0 478.645 2.598 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001287328670 1062803175 /nfs/dbraw/zinc/80/31/75/1062803175.db2.gz JXBWCVFPJKMMQQ-NRFANRHFSA-N 1 0 468.650 2.940 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295014589 1062804115 /nfs/dbraw/zinc/80/41/15/1062804115.db2.gz DJHBWXACNQNNDM-LJQANCHMSA-N 1 0 477.679 2.692 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)CC1)[NH+](C)C ZINC001287328841 1062804658 /nfs/dbraw/zinc/80/46/58/1062804658.db2.gz NFQNJPVFRCZEEM-OAQYLSRUSA-N 1 0 455.632 2.676 20 0 JFADRO CCCOCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001295014713 1062805180 /nfs/dbraw/zinc/80/51/80/1062805180.db2.gz KNGDKMUKBKRUET-HXUWFJFHSA-N 1 0 454.619 2.906 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001287330165 1062807244 /nfs/dbraw/zinc/80/72/44/1062807244.db2.gz LCHGVXQVFCSSHX-LJQANCHMSA-N 1 0 494.644 2.875 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287332742 1062809649 /nfs/dbraw/zinc/80/96/49/1062809649.db2.gz RMTBKWROQKTGRG-VAMGGRTRSA-N 1 0 491.681 2.947 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1)[NH+](C)C ZINC001287332549 1062809702 /nfs/dbraw/zinc/80/97/02/1062809702.db2.gz KNDLYDJNSQMMSG-RBBKRZOGSA-N 1 0 472.609 2.746 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001287333358 1062810639 /nfs/dbraw/zinc/81/06/39/1062810639.db2.gz UKLREMLIMQFXFV-LJQANCHMSA-N 1 0 475.601 2.595 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1)[NH+](C)C ZINC001287333356 1062810736 /nfs/dbraw/zinc/81/07/36/1062810736.db2.gz UJCIXDWFQNOHMJ-SFHVURJKSA-N 1 0 498.582 2.952 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1cnccn1)[NH+](C)C ZINC001287333357 1062810837 /nfs/dbraw/zinc/81/08/37/1062810837.db2.gz UKLREMLIMQFXFV-IBGZPJMESA-N 1 0 475.601 2.595 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287334133 1062811157 /nfs/dbraw/zinc/81/11/57/1062811157.db2.gz PSIRTAINFKLIQT-OAQYLSRUSA-N 1 0 497.109 2.970 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(N)=O)C1)[NH+](C)C ZINC001287333827 1062811237 /nfs/dbraw/zinc/81/12/37/1062811237.db2.gz VMEWHSIJWHRJGO-OALUTQOASA-N 1 0 451.575 2.888 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295016837 1062812069 /nfs/dbraw/zinc/81/20/69/1062812069.db2.gz CPHCJYBKAUIGOG-HXUWFJFHSA-N 1 0 489.690 2.759 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295016836 1062812136 /nfs/dbraw/zinc/81/21/36/1062812136.db2.gz CPHCJYBKAUIGOG-FQEVSTJZSA-N 1 0 489.690 2.759 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001287334981 1062812778 /nfs/dbraw/zinc/81/27/78/1062812778.db2.gz TZTPVLJBPSDOTO-YADHBBJMSA-N 1 0 454.619 2.721 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCS(=O)(=O)CC1)[NH+](C)C ZINC001287335085 1062813136 /nfs/dbraw/zinc/81/31/36/1062813136.db2.gz ZBJMRNRHZNLYDL-LJQANCHMSA-N 1 0 472.615 2.811 20 0 JFADRO CC(C)C[C@H](Cn1c(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339376 1062816997 /nfs/dbraw/zinc/81/69/97/1062816997.db2.gz UWJDZSFYOLHHJZ-LEWJYISDSA-N 1 0 461.699 2.685 20 0 JFADRO CC(C)C[C@@H](Cn1c(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339344 1062817093 /nfs/dbraw/zinc/81/70/93/1062817093.db2.gz UMNUXMWACZYOEB-MOPGFXCFSA-N 1 0 456.701 2.660 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001290945908 1062821270 /nfs/dbraw/zinc/82/12/70/1062821270.db2.gz LQHHUGKJMPZDPQ-GOSISDBHSA-N 1 0 472.619 2.856 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295020768 1062821719 /nfs/dbraw/zinc/82/17/19/1062821719.db2.gz DLQHKQBKCQRDFQ-OALUTQOASA-N 1 0 466.696 2.649 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295022283 1062825588 /nfs/dbraw/zinc/82/55/88/1062825588.db2.gz QUMYVGKOUWGPPM-HXUWFJFHSA-N 1 0 466.696 2.649 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001295022404 1062826231 /nfs/dbraw/zinc/82/62/31/1062826231.db2.gz SRTNXJWJCRWOFC-QHCPKHFHSA-N 1 0 498.763 2.746 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295023113 1062827279 /nfs/dbraw/zinc/82/72/79/1062827279.db2.gz WGYRSIWLRWGVHV-LJQANCHMSA-N 1 0 492.665 2.791 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295023646 1062829049 /nfs/dbraw/zinc/82/90/49/1062829049.db2.gz LHLNPGCJDLVYQP-TZIWHRDSSA-N 1 0 496.722 2.938 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287363332 1062829682 /nfs/dbraw/zinc/82/96/82/1062829682.db2.gz FTDNQOUXVNICLZ-JOCHJYFZSA-N 1 0 465.689 2.954 20 0 JFADRO Cc1noc(CCCn2c(CC(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC001290954900 1062829774 /nfs/dbraw/zinc/82/97/74/1062829774.db2.gz DJSXXEUYIABYMX-OAQYLSRUSA-N 1 0 453.591 2.656 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2cnn(-c3ccccc3)n2)n1CCN1CCOCC1(C)C ZINC001287368014 1062831189 /nfs/dbraw/zinc/83/11/89/1062831189.db2.gz DBYZBMDNTUOQDJ-UHFFFAOYSA-N 1 0 452.607 2.805 20 0 JFADRO CC(C)Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287373074 1062832372 /nfs/dbraw/zinc/83/23/72/1062832372.db2.gz VAXRZLSSWIUKFA-LEWJYISDSA-N 1 0 484.645 2.696 20 0 JFADRO CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)N1CCOCC1 ZINC001287375243 1062834222 /nfs/dbraw/zinc/83/42/22/1062834222.db2.gz ZHFZPQIHJLTUMY-UHFFFAOYSA-N 1 0 483.705 2.846 20 0 JFADRO CC(C)Cc1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386404 1062837119 /nfs/dbraw/zinc/83/71/19/1062837119.db2.gz XQTXVTWRJPUNKT-GGAORHGYSA-N 1 0 470.662 2.622 20 0 JFADRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC001295041645 1062839027 /nfs/dbraw/zinc/83/90/27/1062839027.db2.gz LEIDYACIYDFWFF-ZDUSSCGKSA-N 1 0 455.930 2.731 20 0 JFADRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 ZINC001290967008 1062841279 /nfs/dbraw/zinc/84/12/79/1062841279.db2.gz KJVOFZKXGKYEJI-UHFFFAOYSA-N 1 0 451.614 2.873 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CC1 ZINC001295044384 1062842490 /nfs/dbraw/zinc/84/24/90/1062842490.db2.gz YMLBLPSTUZPNHR-IBGZPJMESA-N 1 0 475.638 2.551 20 0 JFADRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCCC2)CC1 ZINC001295044385 1062842738 /nfs/dbraw/zinc/84/27/38/1062842738.db2.gz YMLBLPSTUZPNHR-LJQANCHMSA-N 1 0 475.638 2.551 20 0 JFADRO CC(C)Cc1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001287398157 1062843302 /nfs/dbraw/zinc/84/33/02/1062843302.db2.gz LZNGTYQLYDDHIC-QZTJIDSGSA-N 1 0 488.599 2.871 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(C(=O)Nc4ccccn4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)on1 ZINC001290971578 1062848129 /nfs/dbraw/zinc/84/81/29/1062848129.db2.gz XFFKDAVZZVYAOI-HXUWFJFHSA-N 1 0 495.632 2.520 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3C[C@@]3([NH+](C)C)CCSC3)CC2)n1 ZINC001290972930 1062850823 /nfs/dbraw/zinc/85/08/23/1062850823.db2.gz KIWIXIVVORLPPE-NRFANRHFSA-N 1 0 464.709 2.791 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001295047970 1062851032 /nfs/dbraw/zinc/85/10/32/1062851032.db2.gz BZMYGGYPZYEUDQ-NLWGTHIKSA-N 1 0 472.638 2.997 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001290975652 1062853425 /nfs/dbraw/zinc/85/34/25/1062853425.db2.gz BHVUPJXKHCDJFM-QGZVFWFLSA-N 1 0 484.004 2.649 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001287414690 1062854166 /nfs/dbraw/zinc/85/41/66/1062854166.db2.gz SCRFTCQLIZRETO-FQEVSTJZSA-N 1 0 468.712 2.849 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Br)c2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001290976735 1062858505 /nfs/dbraw/zinc/85/85/05/1062858505.db2.gz UJYZKXBPFUWWQH-BTYIYWSLSA-N 1 0 493.475 2.812 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287420422 1062859781 /nfs/dbraw/zinc/85/97/81/1062859781.db2.gz QNCGYRDTGLNOFZ-NVQXNPDNSA-N 1 0 486.636 2.656 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287422256 1062862227 /nfs/dbraw/zinc/86/22/27/1062862227.db2.gz VVEOOWGUGWPUFF-LEWJYISDSA-N 1 0 457.598 2.959 20 0 JFADRO CC(C)Cc1nnc(N2CCC(OC[C@@H]3CCOC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287427349 1062866213 /nfs/dbraw/zinc/86/62/13/1062866213.db2.gz MYFGFQXLEKXYPD-XXBNENTESA-N 1 0 451.681 2.936 20 0 JFADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001287427769 1062866952 /nfs/dbraw/zinc/86/69/52/1062866952.db2.gz SSBPGHPFIVTPMO-WJOKGBTCSA-N 1 0 451.681 2.859 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(Br)cc2)n1CC[NH+]1CCCCC1 ZINC001290985507 1062871181 /nfs/dbraw/zinc/87/11/81/1062871181.db2.gz IORVCOYKUIVMMO-QGZVFWFLSA-N 1 0 491.434 2.772 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001287442102 1062874692 /nfs/dbraw/zinc/87/46/92/1062874692.db2.gz CMWIBHMOEQGEPQ-NHCUHLMSSA-N 1 0 468.712 2.705 20 0 JFADRO C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)[N@H+](C)C1CC1 ZINC001290989956 1062880607 /nfs/dbraw/zinc/88/06/07/1062880607.db2.gz PJBPPQSAQDATSS-YPAWHYETSA-N 1 0 487.737 2.976 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290996246 1062887788 /nfs/dbraw/zinc/88/77/88/1062887788.db2.gz CFRNYXZHZXDNOK-WOJBJXKFSA-N 1 0 455.651 2.981 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001290997433 1062889363 /nfs/dbraw/zinc/88/93/63/1062889363.db2.gz LVJSTWJMCBMKOV-GGPKGHCWSA-N 1 0 460.648 2.720 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(Cc3cccnc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001290997834 1062890317 /nfs/dbraw/zinc/89/03/17/1062890317.db2.gz NBQUESZUOFTGPJ-HSALFYBXSA-N 1 0 453.635 2.687 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001290998319 1062891654 /nfs/dbraw/zinc/89/16/54/1062891654.db2.gz OYGWYGDIZWRYTQ-BGYRXZFFSA-N 1 0 488.702 2.982 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290998286 1062891697 /nfs/dbraw/zinc/89/16/97/1062891697.db2.gz OSJCCQJZMXIKNN-QRVBRYPASA-N 1 0 464.680 2.909 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290999161 1062892889 /nfs/dbraw/zinc/89/28/89/1062892889.db2.gz RFZOXYRLKPLCLV-KDURUIRLSA-N 1 0 458.655 2.644 20 0 JFADRO C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001290999200 1062893768 /nfs/dbraw/zinc/89/37/68/1062893768.db2.gz JLIMMZHMFJMWAJ-STXHMFSFSA-N 1 0 451.413 2.595 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001287460113 1062899111 /nfs/dbraw/zinc/89/91/11/1062899111.db2.gz ZXYNSHRSUSTZDG-WOJBJXKFSA-N 1 0 464.655 2.938 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001291002499 1062899690 /nfs/dbraw/zinc/89/96/90/1062899690.db2.gz VMINUOSMSZRGNO-MSZDEVHKSA-N 1 0 490.693 2.744 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287461714 1062899981 /nfs/dbraw/zinc/89/99/81/1062899981.db2.gz AVWOQIGQPGNOLZ-OYRHEFFESA-N 1 0 484.645 2.644 20 0 JFADRO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)C1 ZINC001291006287 1062900923 /nfs/dbraw/zinc/90/09/23/1062900923.db2.gz JYJADJFUQDUIHZ-ZCNNSNEGSA-N 1 0 480.654 2.647 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287462605 1062903056 /nfs/dbraw/zinc/90/30/56/1062903056.db2.gz PXJCCRNBBRRFKP-UHFFFAOYSA-N 1 0 472.609 2.689 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001287462907 1062903726 /nfs/dbraw/zinc/90/37/26/1062903726.db2.gz VAYXGTBREFGMHD-OFVILXPXSA-N 1 0 489.064 2.781 20 0 JFADRO C[C@@H]1C[C@H](C)CN(c2nnc(CNC(=O)c3cccs3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001291008246 1062905609 /nfs/dbraw/zinc/90/56/09/1062905609.db2.gz MKARWHLBIDOQKB-HDICACEKSA-N 1 0 460.648 2.863 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001291009258 1062906222 /nfs/dbraw/zinc/90/62/22/1062906222.db2.gz CJRWQTUHFJFCPT-BGYRXZFFSA-N 1 0 496.660 2.775 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291011179 1062911140 /nfs/dbraw/zinc/91/11/40/1062911140.db2.gz GURBGXARDRVJLS-BHIFYINESA-N 1 0 496.722 2.750 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCc2cnccn2)C1 ZINC001291011862 1062913459 /nfs/dbraw/zinc/91/34/59/1062913459.db2.gz QRJXFODCIIOQPE-BGYRXZFFSA-N 1 0 477.617 2.762 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011808 1062913719 /nfs/dbraw/zinc/91/37/19/1062913719.db2.gz PZCTVCLZEHSJTL-MHTWAQMVSA-N 1 0 469.696 2.800 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291011877 1062914108 /nfs/dbraw/zinc/91/41/08/1062914108.db2.gz QWNWQWXIKIFEFE-SJBKTWHCSA-N 1 0 474.675 2.645 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCC[C@H]32)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012119 1062915002 /nfs/dbraw/zinc/91/50/02/1062915002.db2.gz UUVHJJCBJZAKSA-PXTPFGJHSA-N 1 0 452.669 2.635 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011999 1062915083 /nfs/dbraw/zinc/91/50/83/1062915083.db2.gz SJXDOIGDMKJZDA-XAPVIXHLSA-N 1 0 496.722 2.509 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCCn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001291012186 1062915719 /nfs/dbraw/zinc/91/57/19/1062915719.db2.gz VKGNAFKPPSBBFI-PMACEKPBSA-N 1 0 466.696 2.775 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001291012710 1062917919 /nfs/dbraw/zinc/91/79/19/1062917919.db2.gz DCMPWCBXOPDOGK-KSZLIROESA-N 1 0 496.582 2.551 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)C1 ZINC001291013086 1062918888 /nfs/dbraw/zinc/91/88/88/1062918888.db2.gz IQWJLXVJRFZKRI-CEXWTWQISA-N 1 0 485.599 2.672 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001287471588 1062920042 /nfs/dbraw/zinc/92/00/42/1062920042.db2.gz OREPDXMLSPKPMV-UHFFFAOYSA-N 1 0 452.582 2.864 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(C3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)C1 ZINC001291013488 1062920813 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ZINC001291014392 1062923833 /nfs/dbraw/zinc/92/38/33/1062923833.db2.gz CFHXHPDGIOPNRW-RTBURBONSA-N 1 0 465.639 2.857 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ncccn3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001287474969 1062923791 /nfs/dbraw/zinc/92/37/91/1062923791.db2.gz KIBOYQFJOIJZOP-UHFFFAOYSA-N 1 0 464.618 2.582 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC001291014946 1062924413 /nfs/dbraw/zinc/92/44/13/1062924413.db2.gz KOCXJWFFWZKNSO-ZRZAMGCNSA-N 1 0 487.737 2.979 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291015166 1062924990 /nfs/dbraw/zinc/92/49/90/1062924990.db2.gz NDSNKSMISZUPFB-VAMGGRTRSA-N 1 0 493.649 2.988 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291015208 1062926156 /nfs/dbraw/zinc/92/61/56/1062926156.db2.gz NVSRDMXNRBMTMY-OALUTQOASA-N 1 0 479.622 2.599 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001287475957 1062926581 /nfs/dbraw/zinc/92/65/81/1062926581.db2.gz CTIZFAOWUBPSKH-VWLOTQADSA-N 1 0 458.651 2.972 20 0 JFADRO CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccc(N2CCOCC2)nc1 ZINC001295092456 1062927109 /nfs/dbraw/zinc/92/71/09/1062927109.db2.gz MUXDJFSSQFZNRF-UHFFFAOYSA-N 1 0 460.380 2.782 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](c1ccco1)[NH+]1CCCCC1 ZINC001287476325 1062928167 /nfs/dbraw/zinc/92/81/67/1062928167.db2.gz IQSQCJOWGRERNV-OAQYLSRUSA-N 1 0 471.650 2.507 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001287476329 1062928791 /nfs/dbraw/zinc/92/87/91/1062928791.db2.gz ISRJRTDDAPPIHU-CTNGQTDRSA-N 1 0 486.636 2.649 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC[NH+]1CCCCC1 ZINC001287476439 1062929470 /nfs/dbraw/zinc/92/94/70/1062929470.db2.gz IEWAZXIFWHEBSK-UHFFFAOYSA-N 1 0 473.710 2.779 20 0 JFADRO O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001295109606 1062934244 /nfs/dbraw/zinc/93/42/44/1062934244.db2.gz 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CC(C)C[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC001287514635 1062958461 /nfs/dbraw/zinc/95/84/61/1062958461.db2.gz VVELMZLOVIIOIW-WOJBJXKFSA-N 1 0 488.702 2.860 20 0 JFADRO CCN(c1nnc(C(C)C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295140501 1062958590 /nfs/dbraw/zinc/95/85/90/1062958590.db2.gz CSBQDOCJQZXAJS-FCHUYYIVSA-N 1 0 459.660 2.980 20 0 JFADRO CCN(c1nnc(C(C)C)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295140643 1062958935 /nfs/dbraw/zinc/95/89/35/1062958935.db2.gz CSBQDOCJQZXAJS-FGZHOGPDSA-N 1 0 459.660 2.980 20 0 JFADRO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@H](C)O1 ZINC001295145456 1062965516 /nfs/dbraw/zinc/96/55/16/1062965516.db2.gz DHUVGZGIUBCHLP-WSAILGMDSA-N 1 0 451.611 2.909 20 0 JFADRO CCN(c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@H](C)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295148600 1062969697 /nfs/dbraw/zinc/96/96/97/1062969697.db2.gz UPZVUJZTVGRQFK-IKGGRYGDSA-N 1 0 453.584 2.521 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001291043357 1062972051 /nfs/dbraw/zinc/97/20/51/1062972051.db2.gz BPZBWNXWHSWZAO-SQNIBIBYSA-N 1 0 466.627 2.784 20 0 JFADRO C[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC001291048253 1062977123 /nfs/dbraw/zinc/97/71/23/1062977123.db2.gz OVQURWPWMUCZSL-MXEMCNAFSA-N 1 0 482.695 2.500 20 0 JFADRO CC(C)CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001287544826 1062977517 /nfs/dbraw/zinc/97/75/17/1062977517.db2.gz QPEOOFVXOVNLAP-WOLJRWFJSA-N 1 0 476.710 2.964 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc(CC(C)(C)C)n2CCCC(=O)N(C)C)CC1 ZINC001291052329 1062983929 /nfs/dbraw/zinc/98/39/29/1062983929.db2.gz RRQRZYSBVLJLKL-NHCUHLMSSA-N 1 0 461.699 2.730 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(C)(=O)=O)CC1 ZINC001291052385 1062983956 /nfs/dbraw/zinc/98/39/56/1062983956.db2.gz SKJUUNOUJJONJW-KDURUIRLSA-N 1 0 495.093 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1063066010 /nfs/dbraw/zinc/06/60/10/1063066010.db2.gz ITTOWQBHZPPJMA-FQEVSTJZSA-N 1 0 453.568 2.821 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001291100290 1063068153 /nfs/dbraw/zinc/06/81/53/1063068153.db2.gz XIXNNLFNAIRCMS-AABGKKOBSA-N 1 0 462.664 2.786 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC001291100740 1063069275 /nfs/dbraw/zinc/06/92/75/1063069275.db2.gz HCIOXHYASLGGCB-FQEVSTJZSA-N 1 0 470.666 2.884 20 0 JFADRO C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)[NH+](C)C ZINC001291101432 1063072172 /nfs/dbraw/zinc/07/21/72/1063072172.db2.gz TXJLSDOMBUXOBU-VQTJNVASSA-N 1 0 453.635 2.689 20 0 JFADRO CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295256584 1063073325 /nfs/dbraw/zinc/07/33/25/1063073325.db2.gz NTNVDWVMTJWUFT-QUCCMNQESA-N 1 0 479.622 2.742 20 0 JFADRO CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1=O ZINC001287748902 1063073327 /nfs/dbraw/zinc/07/33/27/1063073327.db2.gz MADATZVITKFTMH-LJQANCHMSA-N 1 0 490.649 2.911 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CCOCC3)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291101753 1063073909 /nfs/dbraw/zinc/07/39/09/1063073909.db2.gz APPAYPDMBCJGOI-WOJBJXKFSA-N 1 0 496.722 2.796 20 0 JFADRO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101859 1063074321 /nfs/dbraw/zinc/07/43/21/1063074321.db2.gz CSIDZXWIJXZFJZ-FGZHOGPDSA-N 1 0 489.709 2.677 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001291102149 1063075057 /nfs/dbraw/zinc/07/50/57/1063075057.db2.gz IDLBIXFPOUQRKU-OAGGEKHMSA-N 1 0 458.529 2.507 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(F)F)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291102297 1063075795 /nfs/dbraw/zinc/07/57/95/1063075795.db2.gz KSSJIWNBCAMXEB-IKGGRYGDSA-N 1 0 476.638 2.880 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001291102179 1063076085 /nfs/dbraw/zinc/07/60/85/1063076085.db2.gz IOZUOPSVQKZQOX-RTBURBONSA-N 1 0 467.680 2.696 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001287751509 1063077655 /nfs/dbraw/zinc/07/76/55/1063077655.db2.gz XNIWCKNIEDAWRH-BBWFWOEESA-N 1 0 480.601 2.960 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001291102637 1063078274 /nfs/dbraw/zinc/07/82/74/1063078274.db2.gz QFOOQKRYXLMICJ-SFHVURJKSA-N 1 0 462.602 2.981 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)C1 ZINC001291102897 1063078934 /nfs/dbraw/zinc/07/89/34/1063078934.db2.gz VFPAZWWTYSVODB-UNMCSNQZSA-N 1 0 468.646 2.781 20 0 JFADRO CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001295263017 1063079015 /nfs/dbraw/zinc/07/90/15/1063079015.db2.gz VFIDSVYVSHUKPH-UAFMIMERSA-N 1 0 469.696 2.940 20 0 JFADRO CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295263384 1063079105 /nfs/dbraw/zinc/07/91/05/1063079105.db2.gz WYUJHXFYQCLCJB-IYWMVGAKSA-N 1 0 467.680 2.900 20 0 JFADRO CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295264974 1063081632 /nfs/dbraw/zinc/08/16/32/1063081632.db2.gz ZWEMKXXJEIGICW-PLACYPQZSA-N 1 0 481.707 2.942 20 0 JFADRO CC(C)OC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCO1 ZINC001291103822 1063081600 /nfs/dbraw/zinc/08/16/00/1063081600.db2.gz LDKUSJUPMULLBO-LEWJYISDSA-N 1 0 476.666 2.541 20 0 JFADRO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103948 1063081989 /nfs/dbraw/zinc/08/19/89/1063081989.db2.gz MSHUWHUFBUDUAC-HSALFYBXSA-N 1 0 489.665 2.738 20 0 JFADRO C[C@H]1CCC[N@@H+](C(C)(C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C)C(=O)C2)C1 ZINC001291103990 1063082797 /nfs/dbraw/zinc/08/27/97/1063082797.db2.gz NGKIZBBCLNOLOT-KRWDZBQOSA-N 1 0 460.573 2.936 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(c3ccc(O)cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291104282 1063083667 /nfs/dbraw/zinc/08/36/67/1063083667.db2.gz RUQJUCWYJJUMJL-VQTJNVASSA-N 1 0 469.634 2.569 20 0 JFADRO C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001291104196 1063083715 /nfs/dbraw/zinc/08/37/15/1063083715.db2.gz QPPUAKCIZWPODV-CTNGQTDRSA-N 1 0 480.723 2.849 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001291104344 1063083796 /nfs/dbraw/zinc/08/37/96/1063083796.db2.gz SKUKYGOUHOHFHB-HKBOAZHASA-N 1 0 496.660 2.787 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)CN1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105357 1063086780 /nfs/dbraw/zinc/08/67/80/1063086780.db2.gz IBEJNAOROMYOJE-NHCUHLMSSA-N 1 0 472.682 2.594 20 0 JFADRO CCN(C1CCN(c2nnc(C)n2C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1)S(C)(=O)=O ZINC001295267477 1063086798 /nfs/dbraw/zinc/08/67/98/1063086798.db2.gz VBBOHJXQYDLTFQ-NQIIRXRSSA-N 1 0 480.704 2.981 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1=O ZINC001287761370 1063087205 /nfs/dbraw/zinc/08/72/05/1063087205.db2.gz YGKUKCZGMHNTMA-UHFFFAOYSA-N 1 0 465.577 2.916 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001287762064 1063087708 /nfs/dbraw/zinc/08/77/08/1063087708.db2.gz XTZHTSVVIZAWCU-UHFFFAOYSA-N 1 0 453.978 2.919 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2C[C@H](C)[NH+](C)C)CC1=O ZINC001287762066 1063087762 /nfs/dbraw/zinc/08/77/62/1063087762.db2.gz XXZFPLGVBBEGDB-INIZCTEOSA-N 1 0 463.424 2.962 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001287761891 1063087787 /nfs/dbraw/zinc/08/77/87/1063087787.db2.gz ODHKJYDNAXISEV-UHFFFAOYSA-N 1 0 473.647 2.532 20 0 JFADRO CCN(C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)[N@H+](C)C2CC2)CC1)S(C)(=O)=O ZINC001295267543 1063087859 /nfs/dbraw/zinc/08/78/59/1063087859.db2.gz WVBBVDSVYJCQSA-INIZCTEOSA-N 1 0 496.081 2.727 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105504 1063087989 /nfs/dbraw/zinc/08/79/89/1063087989.db2.gz JYJHFOMVXHXERG-CEXWTWQISA-N 1 0 460.648 2.571 20 0 JFADRO CC(C)CN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1=O ZINC001287762289 1063088796 /nfs/dbraw/zinc/08/87/96/1063088796.db2.gz ROEYSIWDWVWHRT-OAQYLSRUSA-N 1 0 454.623 2.550 20 0 JFADRO C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105983 1063090048 /nfs/dbraw/zinc/09/00/48/1063090048.db2.gz QHWJPNAIHFTEKZ-UXHICEINSA-N 1 0 474.675 2.831 20 0 JFADRO CCN(C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C2CC2)[NH+](C)C)CC1)S(C)(=O)=O ZINC001295269419 1063091556 /nfs/dbraw/zinc/09/15/56/1063091556.db2.gz ILWQMNVPFIORCM-JOCHJYFZSA-N 1 0 474.675 2.844 20 0 JFADRO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106125 1063092396 /nfs/dbraw/zinc/09/23/96/1063092396.db2.gz RXTLMEZOUMNVTG-URVUXULASA-N 1 0 453.635 2.922 20 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JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(C2)CCCCCC3)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291106685 1063094641 /nfs/dbraw/zinc/09/46/41/1063094641.db2.gz ZGZRAFKPTQWVJB-QHAWAJNXSA-N 1 0 496.722 2.938 20 0 JFADRO CCN(C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1)S(C)(=O)=O ZINC001295270081 1063094937 /nfs/dbraw/zinc/09/49/37/1063094937.db2.gz UKEDATGCXFWRTE-OAQYLSRUSA-N 1 0 491.706 2.654 20 0 JFADRO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107503 1063096309 /nfs/dbraw/zinc/09/63/09/1063096309.db2.gz JVAHGJMTFYPMPE-LMMKCTJWSA-N 1 0 486.583 2.797 20 0 JFADRO C[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107548 1063096357 /nfs/dbraw/zinc/09/63/57/1063096357.db2.gz KELRCQSLSTXHBV-QZTZHPFYSA-N 1 0 458.582 2.818 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108319 1063099490 /nfs/dbraw/zinc/09/94/90/1063099490.db2.gz UMZPUAKCBRBXFK-GUDVDZBRSA-N 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/nfs/dbraw/zinc/26/98/53/1063269853.db2.gz OJNKDLPPDSPGBD-HXUWFJFHSA-N 1 0 492.665 2.924 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(Cc4ccc(F)cc4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001291179867 1063270240 /nfs/dbraw/zinc/27/02/40/1063270240.db2.gz ORAYBTOIYRJNDB-OAQYLSRUSA-N 1 0 492.665 2.506 20 0 JFADRO CC(C)NC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180152 1063271488 /nfs/dbraw/zinc/27/14/88/1063271488.db2.gz VCSMJKUJXBTREW-QFIPXVFZSA-N 1 0 453.635 2.737 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC1(O)CCCCC1 ZINC001291180191 1063271512 /nfs/dbraw/zinc/27/15/12/1063271512.db2.gz WCXVRKOLPXHSRS-RTWAWAEBSA-N 1 0 496.722 2.532 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(Cc4ccsc4)n3CCCNS(C)(=O)=O)C2)CC1 ZINC001291180176 1063271532 /nfs/dbraw/zinc/27/15/32/1063271532.db2.gz VYDQZTFLWHZIDA-OAQYLSRUSA-N 1 0 494.731 2.818 20 0 JFADRO CC1CC[NH+](CCCCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001291181457 1063274733 /nfs/dbraw/zinc/27/47/33/1063274733.db2.gz ILTRYJAWNUXKEU-UHFFFAOYSA-N 1 0 461.010 2.959 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001291181525 1063275077 /nfs/dbraw/zinc/27/50/77/1063275077.db2.gz KDWPNWXEAMGVGQ-INIZCTEOSA-N 1 0 478.439 2.825 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCO[C@@H](COc3ccccc3)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181788 1063276222 /nfs/dbraw/zinc/27/62/22/1063276222.db2.gz SMRLHKCZYLTGDX-HSZRJFAPSA-N 1 0 484.645 2.823 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001291181836 1063276378 /nfs/dbraw/zinc/27/63/78/1063276378.db2.gz UOKSXOKEGGRZKR-INIZCTEOSA-N 1 0 478.439 2.859 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 ZINC001291182396 1063277361 /nfs/dbraw/zinc/27/73/61/1063277361.db2.gz LXBBDQBXKZBWPG-IBGZPJMESA-N 1 0 486.583 2.799 20 0 JFADRO CC1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001291182020 1063277445 /nfs/dbraw/zinc/27/74/45/1063277445.db2.gz AKGUJMRESBJCNC-NRFANRHFSA-N 1 0 460.667 2.989 20 0 JFADRO CC1CC[NH+](CCCn2c(N(C)C3CCN(S(C)(=O)=O)CC3)nnc2C(C)(C)C)CC1 ZINC001291183046 1063279093 /nfs/dbraw/zinc/27/90/93/1063279093.db2.gz DQTXKIDAGCSCJY-UHFFFAOYSA-N 1 0 454.685 2.558 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001295345046 1063279715 /nfs/dbraw/zinc/27/97/15/1063279715.db2.gz RPQAHKZNXFHEJG-DNQXCXABSA-N 1 0 497.688 2.731 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CC[NH+]1CCC(C)CC1 ZINC001291183238 1063280330 /nfs/dbraw/zinc/28/03/30/1063280330.db2.gz LABMIQDNZXXMJE-IBGZPJMESA-N 1 0 490.674 2.749 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183578 1063280926 /nfs/dbraw/zinc/28/09/26/1063280926.db2.gz XXBBJKDKMXBTDW-UHFFFAOYSA-N 1 0 491.681 2.889 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccc(F)cc3Br)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001291183656 1063281059 /nfs/dbraw/zinc/28/10/59/1063281059.db2.gz AHUFXEBTUIOZGR-OAHLLOKOSA-N 1 0 479.398 2.890 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295345221 1063281860 /nfs/dbraw/zinc/28/18/60/1063281860.db2.gz XGNCCMKMTGXLML-XMMPIXPASA-N 1 0 499.679 2.873 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3[C@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291184010 1063282066 /nfs/dbraw/zinc/28/20/66/1063282066.db2.gz MHUKXQRCXBNWNH-RBUKOAKNSA-N 1 0 460.648 2.744 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC[NH+]1CCC(C)CC1 ZINC001291184401 1063282728 /nfs/dbraw/zinc/28/27/28/1063282728.db2.gz YVIDMAJMAWGJCO-UHFFFAOYSA-N 1 0 480.455 2.739 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001291184426 1063282786 /nfs/dbraw/zinc/28/27/86/1063282786.db2.gz ZNAUZITVBWYVHQ-LJQANCHMSA-N 1 0 461.632 2.553 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001291184503 1063283395 /nfs/dbraw/zinc/28/33/95/1063283395.db2.gz BUQFMTICMLHEPL-IBGZPJMESA-N 1 0 474.009 2.689 20 0 JFADRO CC(C)OC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001291185816 1063286737 /nfs/dbraw/zinc/28/67/37/1063286737.db2.gz QNECABSKOAQEPL-DHLKQENFSA-N 1 0 479.666 2.681 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC001291185796 1063286805 /nfs/dbraw/zinc/28/68/05/1063286805.db2.gz QDBQCWFIDFFPNV-ZWKOTPCHSA-N 1 0 453.678 2.920 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC[NH+]1CCC(C)CC1 ZINC001291185793 1063286851 /nfs/dbraw/zinc/28/68/51/1063286851.db2.gz QDBQCWFIDFFPNV-MSOLQXFVSA-N 1 0 453.678 2.920 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001291185898 1063287522 /nfs/dbraw/zinc/28/75/22/1063287522.db2.gz SOYQLGUXLWTCPM-JOCHJYFZSA-N 1 0 499.660 2.726 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC001291186745 1063292812 /nfs/dbraw/zinc/29/28/12/1063292812.db2.gz JOCYTFLGPGUBJK-SJBKTWHCSA-N 1 0 490.693 2.755 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)[C@H]2C)C[C@@H](C)O1 ZINC001291187264 1063295182 /nfs/dbraw/zinc/29/51/82/1063295182.db2.gz RJXASNRCLKMMMS-KZNAEPCWSA-N 1 0 458.582 2.639 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(C3CCC3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291187357 1063295615 /nfs/dbraw/zinc/29/56/15/1063295615.db2.gz SWARHOJBRZRRLR-PLACYPQZSA-N 1 0 462.683 2.979 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(C3CCCC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001295350562 1063295641 /nfs/dbraw/zinc/29/56/41/1063295641.db2.gz FFVBHFIEVHBPAB-JOCHJYFZSA-N 1 0 475.682 2.756 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187453 1063296875 /nfs/dbraw/zinc/29/68/75/1063296875.db2.gz USEHEPBJAOCVMT-MJCUULBUSA-N 1 0 496.722 2.935 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N3CCO[C@@H](c4cnn(C)c4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001291187954 1063299272 /nfs/dbraw/zinc/29/92/72/1063299272.db2.gz BPOCXJXYWCHRQW-QWFCFKBJSA-N 1 0 459.639 2.775 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001291188018 1063299455 /nfs/dbraw/zinc/29/94/55/1063299455.db2.gz CYWBGOHZQYOOJV-PMACEKPBSA-N 1 0 486.661 2.987 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001291188287 1063301331 /nfs/dbraw/zinc/30/13/31/1063301331.db2.gz HVEKCBXZOQVLHU-IRFCIJBXSA-N 1 0 476.666 2.712 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC001291188288 1063302310 /nfs/dbraw/zinc/30/23/10/1063302310.db2.gz HVEKCBXZOQVLHU-SFHLNBCPSA-N 1 0 476.666 2.712 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291188704 1063304559 /nfs/dbraw/zinc/30/45/59/1063304559.db2.gz PGLOJLQMNNFNFB-PMACEKPBSA-N 1 0 498.672 2.979 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC001291189052 1063306797 /nfs/dbraw/zinc/30/67/97/1063306797.db2.gz VCJJDWAOKZZZPA-SFHLNBCPSA-N 1 0 486.636 2.988 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001295354381 1063306663 /nfs/dbraw/zinc/30/66/63/1063306663.db2.gz MURDQQVBLPXINF-JOCHJYFZSA-N 1 0 470.666 2.824 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295355644 1063309849 /nfs/dbraw/zinc/30/98/49/1063309849.db2.gz OZRPFEBLYOTRFZ-VXKWHMMOSA-N 1 0 482.677 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001295358270 1063314929 /nfs/dbraw/zinc/31/49/29/1063314929.db2.gz IBEUTXXWJGKLLM-YZGWKJHDSA-N 1 0 470.574 2.992 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001295358888 1063316274 /nfs/dbraw/zinc/31/62/74/1063316274.db2.gz PPTBPVKXGFGSHS-HOYKHHGWSA-N 1 0 477.053 2.984 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001295358891 1063316325 /nfs/dbraw/zinc/31/63/25/1063316325.db2.gz PPTBPVKXGFGSHS-UUOWRZLLSA-N 1 0 477.053 2.984 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295358984 1063317356 /nfs/dbraw/zinc/31/73/56/1063317356.db2.gz SRYKXLCEHRRHER-ROUUACIJSA-N 1 0 486.621 2.759 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001291192074 1063318599 /nfs/dbraw/zinc/31/85/99/1063318599.db2.gz DNLQTYVXSVDQSH-KNQAVFIVSA-N 1 0 470.618 2.966 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001295360443 1063320644 /nfs/dbraw/zinc/32/06/44/1063320644.db2.gz DJQJZPCMUCGPDT-MOPGFXCFSA-N 1 0 498.607 2.874 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001295360677 1063321410 /nfs/dbraw/zinc/32/14/10/1063321410.db2.gz FSDMMGPAYUPPOA-NVXWUHKLSA-N 1 0 464.517 2.918 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001295363613 1063324800 /nfs/dbraw/zinc/32/48/00/1063324800.db2.gz CWKKWSOYGNDFBM-PKOBYXMFSA-N 1 0 456.591 2.757 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295363616 1063325408 /nfs/dbraw/zinc/32/54/08/1063325408.db2.gz CXWRTKVJZJVGAI-MHECFPHRSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001295364080 1063325494 /nfs/dbraw/zinc/32/54/94/1063325494.db2.gz DRXLYYIMTVFAKT-NHCUHLMSSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)CC1 ZINC001295364133 1063326037 /nfs/dbraw/zinc/32/60/37/1063326037.db2.gz CNEIVYHZHQRCTG-HNNXBMFYSA-N 1 0 479.423 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 ZINC001295365663 1063328919 /nfs/dbraw/zinc/32/89/19/1063328919.db2.gz IRBZBKTXTKXJTN-GOSISDBHSA-N 1 0 461.632 2.696 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCCCC1 ZINC001291194830 1063329671 /nfs/dbraw/zinc/32/96/71/1063329671.db2.gz FQKGFAYICJCPSR-AQNXPRMDSA-N 1 0 489.665 2.592 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001295367800 1063333799 /nfs/dbraw/zinc/33/37/99/1063333799.db2.gz ZSMFAZISLJIPPT-SFHVURJKSA-N 1 0 498.607 2.948 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001295373257 1063340423 /nfs/dbraw/zinc/34/04/23/1063340423.db2.gz LEEDRLPTTWKVMW-AWEZNQCLSA-N 1 0 455.592 2.756 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001295373273 1063340553 /nfs/dbraw/zinc/34/05/53/1063340553.db2.gz LKRLSUQRYAXLLI-FQEVSTJZSA-N 1 0 464.618 2.680 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001295373539 1063341441 /nfs/dbraw/zinc/34/14/41/1063341441.db2.gz PFIGOACBRVQLJN-HZPDHXFCSA-N 1 0 485.555 2.809 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291197239 1063341834 /nfs/dbraw/zinc/34/18/34/1063341834.db2.gz ADSDTOMCYYXBRU-OALUTQOASA-N 1 0 496.616 2.537 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001295374003 1063342554 /nfs/dbraw/zinc/34/25/54/1063342554.db2.gz VAVREDIZXVWJLW-VSKRKVRLSA-N 1 0 484.693 2.820 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001295374063 1063342615 /nfs/dbraw/zinc/34/26/15/1063342615.db2.gz VPGDBRYZLNVOBM-KRWDZBQOSA-N 1 0 491.644 2.909 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001295374066 1063342951 /nfs/dbraw/zinc/34/29/51/1063342951.db2.gz VPGDBRYZLNVOBM-QGZVFWFLSA-N 1 0 491.644 2.909 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001295376591 1063345254 /nfs/dbraw/zinc/34/52/54/1063345254.db2.gz OCKGXFFQIMLXAO-AQNXPRMDSA-N 1 0 482.633 2.518 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@H](COC)C1 ZINC001295376722 1063345699 /nfs/dbraw/zinc/34/56/99/1063345699.db2.gz PITFQXHXSVLSIW-HKBOAZHASA-N 1 0 494.681 2.975 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295378552 1063348160 /nfs/dbraw/zinc/34/81/60/1063348160.db2.gz GQPGCKDZEJIXQX-FXAWDEMLSA-N 1 0 458.607 2.872 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295378567 1063348633 /nfs/dbraw/zinc/34/86/33/1063348633.db2.gz GWCBHTVWOAWHMJ-SFTDATJTSA-N 1 0 461.699 2.730 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295378554 1063348684 /nfs/dbraw/zinc/34/86/84/1063348684.db2.gz GQPGCKDZEJIXQX-XLIONFOSSA-N 1 0 458.607 2.872 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 ZINC001295379228 1063350361 /nfs/dbraw/zinc/35/03/61/1063350361.db2.gz LKYQJQMXRGPPJL-NJAFHUGGSA-N 1 0 459.607 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](COC)C1 ZINC001295379250 1063350481 /nfs/dbraw/zinc/35/04/81/1063350481.db2.gz LPGUTBVHKKJZIO-HSALFYBXSA-N 1 0 480.654 2.790 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOC(C)(C)C1 ZINC001295379255 1063351146 /nfs/dbraw/zinc/35/11/46/1063351146.db2.gz LPXZGUFZPFPMCU-RTBURBONSA-N 1 0 480.654 2.932 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCCC2)CC1 ZINC001295379517 1063351242 /nfs/dbraw/zinc/35/12/42/1063351242.db2.gz MJYBHCFMUOYBRW-OALUTQOASA-N 1 0 467.680 2.839 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001295380781 1063352948 /nfs/dbraw/zinc/35/29/48/1063352948.db2.gz RNFLZGCBIZMGJP-MOPGFXCFSA-N 1 0 468.654 2.750 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001295380902 1063353663 /nfs/dbraw/zinc/35/36/63/1063353663.db2.gz RYMXFVSXQJOTDJ-NSYGIPOTSA-N 1 0 485.608 2.553 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001295381919 1063354987 /nfs/dbraw/zinc/35/49/87/1063354987.db2.gz WROSJFFYTKMYTM-QGZVFWFLSA-N 1 0 498.644 2.738 20 0 JFADRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(Br)cc(Br)c2)CC1 ZINC001295383650 1063357145 /nfs/dbraw/zinc/35/71/45/1063357145.db2.gz DKPFCINQCXERAQ-OAHLLOKOSA-N 1 0 459.182 2.590 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccccc2)CC[N@@H+](C2CCC2)C1 ZINC001291201826 1063357967 /nfs/dbraw/zinc/35/79/67/1063357967.db2.gz BPNKRQXAGIRQDX-LJQANCHMSA-N 1 0 474.675 2.865 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291201875 1063358507 /nfs/dbraw/zinc/35/85/07/1063358507.db2.gz CWVXGZIPNBKQRJ-ZACQAIPSSA-N 1 0 474.572 2.674 20 0 JFADRO COc1ccc(Nc2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2)c(OC)c1 ZINC001295384671 1063359684 /nfs/dbraw/zinc/35/96/84/1063359684.db2.gz LWOVOTBXJYEQKL-QFIPXVFZSA-N 1 0 452.555 2.826 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2)CC1 ZINC001295385073 1063360248 /nfs/dbraw/zinc/36/02/48/1063360248.db2.gz JJAVAQQMBSIVNF-NRFANRHFSA-N 1 0 453.635 2.848 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001295386456 1063362265 /nfs/dbraw/zinc/36/22/65/1063362265.db2.gz AVZMMUDBSKKSRN-SFHVURJKSA-N 1 0 496.685 2.790 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295386489 1063362945 /nfs/dbraw/zinc/36/29/45/1063362945.db2.gz BAOZNKXGFWUVBQ-RBBKRZOGSA-N 1 0 468.650 2.576 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295387574 1063364708 /nfs/dbraw/zinc/36/47/08/1063364708.db2.gz GGLSECCOHYPKBE-QUCCMNQESA-N 1 0 463.648 2.621 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001295389903 1063368182 /nfs/dbraw/zinc/36/81/82/1063368182.db2.gz IKUGFLGTSBSHRQ-WMZOPIPTSA-N 1 0 462.599 2.794 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001291206523 1063369507 /nfs/dbraw/zinc/36/95/07/1063369507.db2.gz XWVFWKTXJPALDQ-GBESFXJTSA-N 1 0 454.685 2.881 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001291206480 1063369542 /nfs/dbraw/zinc/36/95/42/1063369542.db2.gz XALISGXRSNBXAQ-ROUUACIJSA-N 1 0 454.685 2.881 20 0 JFADRO CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001295391129 1063373628 /nfs/dbraw/zinc/37/36/28/1063373628.db2.gz VFIDSVYVSHUKPH-VNTMZGSJSA-N 1 0 469.696 2.940 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001291207353 1063374384 /nfs/dbraw/zinc/37/43/84/1063374384.db2.gz JSRDZOODCSXJHP-ZWKOTPCHSA-N 1 0 470.684 2.547 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295391258 1063374400 /nfs/dbraw/zinc/37/44/00/1063374400.db2.gz VUBUYQZDNQKIDT-CJFMBICVSA-N 1 0 493.697 2.679 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCC(F)(F)F ZINC001291207696 1063376054 /nfs/dbraw/zinc/37/60/54/1063376054.db2.gz NTWDYPZWYMUZRL-CABCVRRESA-N 1 0 466.574 2.541 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001295393339 1063378590 /nfs/dbraw/zinc/37/85/90/1063378590.db2.gz QAZIRUMKFVMWBY-VNYTWHDVSA-N 1 0 478.663 2.585 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCOc1ccccc1 ZINC001291208306 1063378594 /nfs/dbraw/zinc/37/85/94/1063378594.db2.gz VVOQBOQPVKUZKA-PMACEKPBSA-N 1 0 490.674 2.668 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001291208597 1063380746 /nfs/dbraw/zinc/38/07/46/1063380746.db2.gz ZMWXKBAGOMXOQG-JTJHWIPRSA-N 1 0 482.695 2.547 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1)c1ccsc1 ZINC001295394134 1063380950 /nfs/dbraw/zinc/38/09/50/1063380950.db2.gz XVJHPNXUQIMUSL-UYAOXDASSA-N 1 0 487.674 2.751 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1)c1ccco1 ZINC001295397390 1063383457 /nfs/dbraw/zinc/38/34/57/1063383457.db2.gz MOWNQTWGSXCLFS-HKUYNNGSSA-N 1 0 452.559 2.941 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1)c1ccco1 ZINC001295397393 1063383504 /nfs/dbraw/zinc/38/35/04/1063383504.db2.gz MOWNQTWGSXCLFS-IEBWSBKVSA-N 1 0 452.559 2.941 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210825 1063390309 /nfs/dbraw/zinc/39/03/09/1063390309.db2.gz JJFRTWFPXLUEIH-DOTOQJQBSA-N 1 0 483.480 2.835 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNC(C)=O)CC1)c1ccco1 ZINC001295404974 1063391648 /nfs/dbraw/zinc/39/16/48/1063391648.db2.gz FFUWPQMNOWFSNX-LEWJYISDSA-N 1 0 458.607 2.811 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 ZINC001295405093 1063392325 /nfs/dbraw/zinc/39/23/25/1063392325.db2.gz PAVKKJRMPNYXMI-YADHBBJMSA-N 1 0 482.654 2.965 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001295405740 1063394342 /nfs/dbraw/zinc/39/43/42/1063394342.db2.gz TYEZVJBMZJLHRJ-DNVJHFABSA-N 1 0 470.618 2.554 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211725 1063396358 /nfs/dbraw/zinc/39/63/58/1063396358.db2.gz ZUZQNRCLBIEQMD-CRAIPNDOSA-N 1 0 492.466 2.833 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccco1 ZINC001295407059 1063397620 /nfs/dbraw/zinc/39/76/20/1063397620.db2.gz PBCQIEDHCBPEDO-QUCCMNQESA-N 1 0 459.595 2.657 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCC2)CC(=O)N1C ZINC001291212404 1063399052 /nfs/dbraw/zinc/39/90/52/1063399052.db2.gz NLBJRNTUMQZSAG-CQSZACIVSA-N 1 0 479.398 2.998 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408130 1063401161 /nfs/dbraw/zinc/40/11/61/1063401161.db2.gz ZDZXXWNYFCAPRG-PMACEKPBSA-N 1 0 458.607 2.763 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccco1 ZINC001295408103 1063401302 /nfs/dbraw/zinc/40/13/02/1063401302.db2.gz YXZJUMGFVRVXQX-IFMALSPDSA-N 1 0 484.576 2.635 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1)c1ccccc1 ZINC001295408332 1063402035 /nfs/dbraw/zinc/40/20/35/1063402035.db2.gz ZGYNZYGDKAGAPS-GOTSBHOMSA-N 1 0 454.619 2.924 20 0 JFADRO CCN(CC)c1ccc(Cn2c(-c3cccnc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)cn1 ZINC001295414555 1063418000 /nfs/dbraw/zinc/41/80/00/1063418000.db2.gz ZSMCFZVOHOYJBX-HXUWFJFHSA-N 1 0 464.618 2.787 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)CC(C)(C)O1 ZINC001291214789 1063418349 /nfs/dbraw/zinc/41/83/49/1063418349.db2.gz DSGNVTCHEUUGDH-GOSISDBHSA-N 1 0 461.632 2.838 20 0 JFADRO COc1cc(-c2cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c3ccccc3n2)cc(OC)c1OC ZINC001295417774 1063421438 /nfs/dbraw/zinc/42/14/38/1063421438.db2.gz JFGSGTUMWVPKAX-VWLOTQADSA-N 1 0 453.539 2.970 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc3[nH]ccc3c2)CC1 ZINC001295463000 1063462737 /nfs/dbraw/zinc/46/27/37/1063462737.db2.gz GYEJNXGJYNOWDX-GOSISDBHSA-N 1 0 487.674 2.923 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 ZINC001295463727 1063464751 /nfs/dbraw/zinc/46/47/51/1063464751.db2.gz QONNOKGKASUNRH-IBGZPJMESA-N 1 0 488.608 2.727 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCNC(C)=O)CC1 ZINC001295465475 1063470243 /nfs/dbraw/zinc/47/02/43/1063470243.db2.gz NMVBKOKSPWYTCO-UHFFFAOYSA-N 1 0 480.455 2.883 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)CC1 ZINC001295471562 1063475743 /nfs/dbraw/zinc/47/57/43/1063475743.db2.gz FRIKDLZSNWEXSD-NRFANRHFSA-N 1 0 475.659 2.686 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001295470589 1063475765 /nfs/dbraw/zinc/47/57/65/1063475765.db2.gz DPSGSTNMBQSHKU-UHFFFAOYSA-N 1 0 483.642 2.692 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC(=O)N1C ZINC001291228375 1063477482 /nfs/dbraw/zinc/47/74/82/1063477482.db2.gz QVASMMRCHZBFOJ-OXJNMPFZSA-N 1 0 453.978 2.963 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)CC1 ZINC001295472892 1063477645 /nfs/dbraw/zinc/47/76/45/1063477645.db2.gz MWYLREXYABDXDG-KRWDZBQOSA-N 1 0 451.662 2.909 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001295472214 1063477758 /nfs/dbraw/zinc/47/77/58/1063477758.db2.gz JHMZJDLXEASXFF-JOCHJYFZSA-N 1 0 490.674 2.720 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC(=O)N1C ZINC001291228377 1063478471 /nfs/dbraw/zinc/47/84/71/1063478471.db2.gz QVASMMRCHZBFOJ-UZLBHIALSA-N 1 0 453.978 2.963 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)OC)CC1 ZINC001295473860 1063479400 /nfs/dbraw/zinc/47/94/00/1063479400.db2.gz WDSVXBIMDVMIKL-IBGZPJMESA-N 1 0 456.639 2.798 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)CC1 ZINC001295473990 1063479473 /nfs/dbraw/zinc/47/94/73/1063479473.db2.gz XPCGOUWEINDIJW-KRWDZBQOSA-N 1 0 451.662 2.909 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001295474019 1063480471 /nfs/dbraw/zinc/48/04/71/1063480471.db2.gz XRJISPIBPVKOEK-SFTDATJTSA-N 1 0 486.636 2.966 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001295474109 1063481251 /nfs/dbraw/zinc/48/12/51/1063481251.db2.gz ZSKIJEUEFUGBFU-SFHVURJKSA-N 1 0 479.622 2.687 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001291229788 1063482356 /nfs/dbraw/zinc/48/23/56/1063482356.db2.gz OFOIDIPLYNREMO-WMZOPIPTSA-N 1 0 467.540 2.522 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)CC1 ZINC001295475372 1063484537 /nfs/dbraw/zinc/48/45/37/1063484537.db2.gz UJNAMMZHMZEUSG-SFHVURJKSA-N 1 0 452.694 2.560 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2CC[N@H+]2CC=CCC2)CCN1C(=O)OC(C)(C)C ZINC001291230754 1063484853 /nfs/dbraw/zinc/48/48/53/1063484853.db2.gz IHQVSUBUEACIEZ-IBGZPJMESA-N 1 0 455.607 2.991 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCO1 ZINC001291232353 1063490115 /nfs/dbraw/zinc/49/01/15/1063490115.db2.gz LQYGGBMMYJYPGN-IBGZPJMESA-N 1 0 473.622 2.802 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001295481012 1063491420 /nfs/dbraw/zinc/49/14/20/1063491420.db2.gz RLZQNEZKRVKGDC-RUZDIDTESA-N 1 0 462.683 2.897 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CC[NH+]2CCSCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291232746 1063491997 /nfs/dbraw/zinc/49/19/97/1063491997.db2.gz SCDVWGVTAZVANX-HKUYNNGSSA-N 1 0 473.647 2.738 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)COCC3)CC1 ZINC001295481772 1063493527 /nfs/dbraw/zinc/49/35/27/1063493527.db2.gz YPNKLGFAUUMBHS-UHFFFAOYSA-N 1 0 468.646 2.687 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001295481768 1063493729 /nfs/dbraw/zinc/49/37/29/1063493729.db2.gz YGAUHUGDEPBRKV-UHFFFAOYSA-N 1 0 459.639 2.900 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCc2ccc(-n3cccn3)cc2)CC1 ZINC001295481794 1063494817 /nfs/dbraw/zinc/49/48/17/1063494817.db2.gz ZPARYUJEJPDZIJ-UHFFFAOYSA-N 1 0 478.645 2.820 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC[C@H]2CCCCO2)CC1 ZINC001295481848 1063495005 /nfs/dbraw/zinc/49/50/05/1063495005.db2.gz BGUBUDZPNXXORB-JOCHJYFZSA-N 1 0 454.619 2.895 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC2(COC)CCCCC2)CC1 ZINC001295482287 1063499106 /nfs/dbraw/zinc/49/91/06/1063499106.db2.gz ICTZIJGHMLVYGF-UHFFFAOYSA-N 1 0 483.661 2.927 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OC)c(F)c2)CC1 ZINC001295482301 1063499148 /nfs/dbraw/zinc/49/91/48/1063499148.db2.gz IYKWTFBMRKZWQA-UHFFFAOYSA-N 1 0 497.619 2.664 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295482407 1063501253 /nfs/dbraw/zinc/50/12/53/1063501253.db2.gz NBJFCOGRFZNINU-XUZZJYLKSA-N 1 0 483.661 2.782 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001291237109 1063502007 /nfs/dbraw/zinc/50/20/07/1063502007.db2.gz RKSBWQUIECQUJG-QGZVFWFLSA-N 1 0 456.595 2.665 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCOC2)CC1 ZINC001295482531 1063502126 /nfs/dbraw/zinc/50/21/26/1063502126.db2.gz RYBLZJOWPPNZCM-NRFANRHFSA-N 1 0 454.619 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295482631 1063503575 /nfs/dbraw/zinc/50/35/75/1063503575.db2.gz VUTNXALNSCIZSB-FQEVSTJZSA-N 1 0 458.607 2.652 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(C)COC2)CC1 ZINC001295482633 1063504208 /nfs/dbraw/zinc/50/42/08/1063504208.db2.gz VXOFPSHJNNLGCU-UHFFFAOYSA-N 1 0 491.036 2.634 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 ZINC001295482984 1063505711 /nfs/dbraw/zinc/50/57/11/1063505711.db2.gz ADEIOMGQBXQATR-OAQYLSRUSA-N 1 0 492.628 2.501 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291238248 1063506237 /nfs/dbraw/zinc/50/62/37/1063506237.db2.gz MQQSALVYHYJHFP-MJGOQNOKSA-N 1 0 456.595 2.570 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001295483033 1063506292 /nfs/dbraw/zinc/50/62/92/1063506292.db2.gz AXDNZLREUOACGA-MOPGFXCFSA-N 1 0 468.593 2.598 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C)c2)CC1 ZINC001295483088 1063506494 /nfs/dbraw/zinc/50/64/94/1063506494.db2.gz BSZDVYNTMGVFCY-HSZRJFAPSA-N 1 0 468.646 2.714 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291238573 1063507112 /nfs/dbraw/zinc/50/71/12/1063507112.db2.gz SKRMPHTZYKCBIE-ICSRJNTNSA-N 1 0 470.622 2.961 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cccc(Br)n2)CC1 ZINC001295483449 1063507684 /nfs/dbraw/zinc/50/76/84/1063507684.db2.gz FJIDPLNPMZAPFQ-UHFFFAOYSA-N 1 0 490.450 2.742 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291240818 1063510397 /nfs/dbraw/zinc/51/03/97/1063510397.db2.gz GMKJIFGUVFEKDJ-MOPGFXCFSA-N 1 0 475.638 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC001295484346 1063510403 /nfs/dbraw/zinc/51/04/03/1063510403.db2.gz MWXLZERLYVKOQP-MQSCRBSSSA-N 1 0 490.693 2.614 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295484395 1063510628 /nfs/dbraw/zinc/51/06/28/1063510628.db2.gz NCFIAOWIADGTMR-RXVVDRJESA-N 1 0 487.649 2.919 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001295484509 1063511333 /nfs/dbraw/zinc/51/13/33/1063511333.db2.gz OPQXASUFUFARQC-GIWBLDEGSA-N 1 0 476.666 2.571 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)S1 ZINC001291241801 1063513822 /nfs/dbraw/zinc/51/38/22/1063513822.db2.gz SRVNMLNYNDZYIA-FUHIMQAGSA-N 1 0 458.632 2.548 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccccc2OC(C)C)CC1 ZINC001295485848 1063514937 /nfs/dbraw/zinc/51/49/37/1063514937.db2.gz ZBNYOWYPEIRPLQ-QHCPKHFHSA-N 1 0 498.672 2.998 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(C(C)=O)CC2)CC1 ZINC001295487417 1063516100 /nfs/dbraw/zinc/51/61/00/1063516100.db2.gz KSTDVKFOFBWGLI-UHFFFAOYSA-N 1 0 453.635 2.833 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001295490431 1063516741 /nfs/dbraw/zinc/51/67/41/1063516741.db2.gz QZPUNUJAWIYTHL-UHFFFAOYSA-N 1 0 470.515 2.997 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)CCCS2)CC1 ZINC001295490898 1063518572 /nfs/dbraw/zinc/51/85/72/1063518572.db2.gz IMFJGQKRQBPUBV-DEOSSOPVSA-N 1 0 471.675 2.540 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295491068 1063521218 /nfs/dbraw/zinc/52/12/18/1063521218.db2.gz OWIZIGQDGFFGDK-QHCPKHFHSA-N 1 0 498.672 2.683 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2CCOCC2)CC1 ZINC001295491570 1063522998 /nfs/dbraw/zinc/52/29/98/1063522998.db2.gz USKWNMHKOGTSHS-UHFFFAOYSA-N 1 0 490.599 2.564 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCCCC2)CC1 ZINC001295491607 1063523628 /nfs/dbraw/zinc/52/36/28/1063523628.db2.gz WBPCZWLQHPCETP-UHFFFAOYSA-N 1 0 474.675 2.616 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CC2)[NH+](C)C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291248650 1063523830 /nfs/dbraw/zinc/52/38/30/1063523830.db2.gz SROFACLZQBFDKT-VBSBHUPXSA-N 1 0 462.639 2.862 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCc2cccnc2)CC1 ZINC001295491630 1063524222 /nfs/dbraw/zinc/52/42/22/1063524222.db2.gz WRXPTHHWTIZHFW-UHFFFAOYSA-N 1 0 467.643 2.559 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCSC2(C)C)CC1 ZINC001295492472 1063525937 /nfs/dbraw/zinc/52/59/37/1063525937.db2.gz BTQYZRSCOOZNRV-RBUKOAKNSA-N 1 0 464.680 2.652 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C(C)C)C2)cc1 ZINC001295494179 1063528717 /nfs/dbraw/zinc/52/87/17/1063528717.db2.gz LQSCUIRTHHSXDZ-XZOQPEGZSA-N 1 0 489.686 2.932 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 ZINC001295494952 1063530381 /nfs/dbraw/zinc/53/03/81/1063530381.db2.gz VPBFLBBSSFKDSQ-UHFFFAOYSA-N 1 0 474.675 2.907 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(C3CCC3)nnc2N2CCO[C@H](CNC(C)=O)C2)cc1 ZINC001295494724 1063530494 /nfs/dbraw/zinc/53/04/94/1063530494.db2.gz UQCRRYANNOSMCG-HSZRJFAPSA-N 1 0 454.619 2.777 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnccn3)nnc2N2C[C@@H](C)O[C@H](COC)C2)cc1 ZINC001295495017 1063530873 /nfs/dbraw/zinc/53/08/73/1063530873.db2.gz YAGHQXGGEFWZEZ-KNQAVFIVSA-N 1 0 465.602 2.865 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 ZINC001295495168 1063531348 /nfs/dbraw/zinc/53/13/48/1063531348.db2.gz ZAYYZISRVUYGNT-OAQYLSRUSA-N 1 0 498.031 2.835 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291252360 1063533798 /nfs/dbraw/zinc/53/37/98/1063533798.db2.gz SCGRFFBMBUNWKY-MOPGFXCFSA-N 1 0 462.639 2.960 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291252361 1063533893 /nfs/dbraw/zinc/53/38/93/1063533893.db2.gz SCGRFFBMBUNWKY-OALUTQOASA-N 1 0 462.639 2.960 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001295501138 1063534762 /nfs/dbraw/zinc/53/47/62/1063534762.db2.gz VVFYHSUEOHRWPT-FNZWTVRRSA-N 1 0 484.645 2.691 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001295502876 1063537626 /nfs/dbraw/zinc/53/76/26/1063537626.db2.gz GZPQWIFKMTVHDV-LJQANCHMSA-N 1 0 491.600 2.632 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 ZINC001295503852 1063539423 /nfs/dbraw/zinc/53/94/23/1063539423.db2.gz PKDUTEYLEYMOIQ-YADHBBJMSA-N 1 0 475.659 2.686 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2sc(C)nc2C)C1 ZINC001295504188 1063539987 /nfs/dbraw/zinc/53/99/87/1063539987.db2.gz QZEAXGZKWXCNOB-IBGZPJMESA-N 1 0 459.664 2.998 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001295504598 1063540466 /nfs/dbraw/zinc/54/04/66/1063540466.db2.gz VFDPYMZMNBSXLX-FQEVSTJZSA-N 1 0 469.634 2.840 20 0 JFADRO C[N@H+](CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)[C@@H]1CCC[C@H]1O ZINC001295505128 1063540806 /nfs/dbraw/zinc/54/08/06/1063540806.db2.gz JJFJDOQAPVWVMG-IEBWSBKVSA-N 1 0 453.948 2.630 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cccnc2OC)C1 ZINC001295507477 1063543676 /nfs/dbraw/zinc/54/36/76/1063543676.db2.gz PCNJBBNGEHWLLU-IBGZPJMESA-N 1 0 498.653 2.969 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255530 1063544275 /nfs/dbraw/zinc/54/42/75/1063544275.db2.gz JKQODOOABUYMBR-HKBOAZHASA-N 1 0 492.665 2.932 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cc(C)cn2)C1 ZINC001295510170 1063544863 /nfs/dbraw/zinc/54/48/63/1063544863.db2.gz XEBYLRLOKYKVIK-FQEVSTJZSA-N 1 0 485.658 2.722 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)(F)F)C1 ZINC001295511626 1063546336 /nfs/dbraw/zinc/54/63/36/1063546336.db2.gz MAJRDJBAIBBOQS-OAHLLOKOSA-N 1 0 456.488 2.931 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001295512387 1063547352 /nfs/dbraw/zinc/54/73/52/1063547352.db2.gz TXVSJYXZCJAVLH-FQEVSTJZSA-N 1 0 497.669 2.807 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC001295512899 1063547898 /nfs/dbraw/zinc/54/78/98/1063547898.db2.gz BUNMMDSKQYJHEE-YKSBVNFPSA-N 1 0 453.624 2.800 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCCS2(=O)=O)C1 ZINC001295514539 1063548087 /nfs/dbraw/zinc/54/80/87/1063548087.db2.gz AEOZDEDCQKVKAI-PMACEKPBSA-N 1 0 460.648 2.784 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)C2(OC)CCOCC2)C1 ZINC001295514582 1063548507 /nfs/dbraw/zinc/54/85/07/1063548507.db2.gz AZGRTVGKRVKIOW-OALUTQOASA-N 1 0 471.593 2.781 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 ZINC001295515412 1063548995 /nfs/dbraw/zinc/54/89/95/1063548995.db2.gz ANXZKBLJMWYCIE-MSOLQXFVSA-N 1 0 479.622 2.544 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@H]2CCCC[C@H]2C)C1 ZINC001295516030 1063550282 /nfs/dbraw/zinc/55/02/82/1063550282.db2.gz DZNXBCARLSDMBQ-MBDNFAEBSA-N 1 0 481.707 2.944 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 ZINC001295516158 1063550821 /nfs/dbraw/zinc/55/08/21/1063550821.db2.gz FNXCVMWONPLZRV-YADHBBJMSA-N 1 0 453.635 2.691 20 0 JFADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN2CC[N@H+](C)C(C)(C)C2)CC2(CCOCC2)O1 ZINC001291258753 1063551408 /nfs/dbraw/zinc/55/14/08/1063551408.db2.gz HEBURDGTOCLBAF-HXUWFJFHSA-N 1 0 462.683 2.667 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2cccc(C)c2)C1 ZINC001295516197 1063551536 /nfs/dbraw/zinc/55/15/36/1063551536.db2.gz GKASZWDMMQOLFE-LEWJYISDSA-N 1 0 475.659 2.736 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001295516190 1063551574 /nfs/dbraw/zinc/55/15/74/1063551574.db2.gz GDGXBHPZCBIXOG-NHCUHLMSSA-N 1 0 490.674 2.579 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCn2cc(Br)cn2)C1 ZINC001295516204 1063552009 /nfs/dbraw/zinc/55/20/09/1063552009.db2.gz GKUSIFBEGVHAMM-SJORKVTESA-N 1 0 466.428 2.609 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001295516631 1063553555 /nfs/dbraw/zinc/55/35/55/1063553555.db2.gz JEVQTHFXJWDJOH-HXUWFJFHSA-N 1 0 451.623 2.827 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001295517645 1063553910 /nfs/dbraw/zinc/55/39/10/1063553910.db2.gz PLSFXOQXNWKDOI-MSOLQXFVSA-N 1 0 477.654 2.701 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 ZINC001295518587 1063554790 /nfs/dbraw/zinc/55/47/90/1063554790.db2.gz QJHKCDRENMVIKB-LEWJYISDSA-N 1 0 455.607 2.742 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295517935 1063554883 /nfs/dbraw/zinc/55/48/83/1063554883.db2.gz NJKVGDQXYIMPBA-QRVBRYPASA-N 1 0 450.628 2.863 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N2CCOCC2)C1 ZINC001295518613 1063555394 /nfs/dbraw/zinc/55/53/94/1063555394.db2.gz OWYHFJMABCONKN-FQEVSTJZSA-N 1 0 475.037 2.549 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001291261383 1063556723 /nfs/dbraw/zinc/55/67/23/1063556723.db2.gz AKGAYVWEQSWQLU-REWPJTCUSA-N 1 0 458.626 2.895 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C2CC(C(C)(C)C)C2)C1 ZINC001295521053 1063558220 /nfs/dbraw/zinc/55/82/20/1063558220.db2.gz XFVLBHZFBQQCIM-GKYDQMIMSA-N 1 0 496.722 2.776 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001295522071 1063559096 /nfs/dbraw/zinc/55/90/96/1063559096.db2.gz IFDHLGFQABDWPL-UHFFFAOYSA-N 1 0 475.588 2.851 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001295523124 1063559628 /nfs/dbraw/zinc/55/96/28/1063559628.db2.gz OQXPWRRNMJOLBJ-NRFANRHFSA-N 1 0 458.582 2.963 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001295523195 1063560103 /nfs/dbraw/zinc/56/01/03/1063560103.db2.gz QKZVTCCVUVVYKK-RBUKOAKNSA-N 1 0 453.653 2.655 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001295524886 1063563103 /nfs/dbraw/zinc/56/31/03/1063563103.db2.gz QADSOQUFVSXTAI-PMACEKPBSA-N 1 0 470.574 2.993 20 0 JFADRO CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291265141 1063565656 /nfs/dbraw/zinc/56/56/56/1063565656.db2.gz OXCBSEDQJABUQF-UYAOXDASSA-N 1 0 457.623 2.954 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295528092 1063565883 /nfs/dbraw/zinc/56/58/83/1063565883.db2.gz PNDNIIFGZYYURE-QHCPKHFHSA-N 1 0 461.632 2.701 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCCN(Cc2noc(C)n2)CC1 ZINC001295528709 1063566237 /nfs/dbraw/zinc/56/62/37/1063566237.db2.gz SQBLAXUPBOJPAN-UHFFFAOYSA-N 1 0 456.595 2.982 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2Br)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001295529692 1063566733 /nfs/dbraw/zinc/56/67/33/1063566733.db2.gz GFXNKJDQRHQZRJ-UHFFFAOYSA-N 1 0 499.479 2.521 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc3cccnc32)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001295530889 1063567759 /nfs/dbraw/zinc/56/77/59/1063567759.db2.gz QAPVTZAOJFADQO-OAQYLSRUSA-N 1 0 465.602 2.567 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001295530869 1063567835 /nfs/dbraw/zinc/56/78/35/1063567835.db2.gz PPCSPVUVPHHMKG-XMMPIXPASA-N 1 0 472.590 2.725 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001295531336 1063568339 /nfs/dbraw/zinc/56/83/39/1063568339.db2.gz VBPDPBNCQLNKCL-DENIHFKCSA-N 1 0 466.586 2.585 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001295533920 1063571004 /nfs/dbraw/zinc/57/10/04/1063571004.db2.gz IBSSVQSPGKFMGE-QUCCMNQESA-N 1 0 473.618 2.975 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001295533921 1063571078 /nfs/dbraw/zinc/57/10/78/1063571078.db2.gz IBSSVQSPGKFMGE-UYAOXDASSA-N 1 0 473.618 2.975 20 0 JFADRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001295538765 1063574221 /nfs/dbraw/zinc/57/42/21/1063574221.db2.gz JBFFGCHFFQTTSA-OAQYLSRUSA-N 1 0 459.639 2.509 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001295540802 1063575707 /nfs/dbraw/zinc/57/57/07/1063575707.db2.gz FJWHKFNTYUIHSX-SLFFLAALSA-N 1 0 462.639 2.817 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001295541281 1063576222 /nfs/dbraw/zinc/57/62/22/1063576222.db2.gz IQTLJLREYONYSD-OAQYLSRUSA-N 1 0 492.665 2.744 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001295542665 1063577065 /nfs/dbraw/zinc/57/70/65/1063577065.db2.gz UMPAIVJUCOOTDH-NRFANRHFSA-N 1 0 472.609 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295543672 1063578514 /nfs/dbraw/zinc/57/85/14/1063578514.db2.gz ZKVPOVISQGBFPU-INIZCTEOSA-N 1 0 455.575 2.502 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@H]1C ZINC001295544524 1063578811 /nfs/dbraw/zinc/57/88/11/1063578811.db2.gz MAGDBZMFDTYGMQ-XLIONFOSSA-N 1 0 458.582 2.850 20 0 JFADRO CC[N@H+](CCC1CCN(C(=O)[C@H]2CC[C@@H](Cn3cnc4c3ncnc4N)O2)CC1)CC(C)C ZINC001295544859 1063579829 /nfs/dbraw/zinc/57/98/29/1063579829.db2.gz KFSRFWVJKOBTPT-VQTJNVASSA-N 1 0 457.623 2.563 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295544793 1063580023 /nfs/dbraw/zinc/58/00/23/1063580023.db2.gz PJVCKIDGTFUFIP-PWRODBHTSA-N 1 0 475.682 2.969 20 0 JFADRO CC[NH+](CC)CCCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C ZINC001295546038 1063581251 /nfs/dbraw/zinc/58/12/51/1063581251.db2.gz WOCIKLXARHCJCP-UHFFFAOYSA-N 1 0 461.699 2.832 20 0 JFADRO CC[NH+](CC)CCOCCn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295546027 1063581273 /nfs/dbraw/zinc/58/12/73/1063581273.db2.gz XUVAPQARFPASEH-SFHVURJKSA-N 1 0 450.628 2.960 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1N1CCOCC1 ZINC001291275091 1063581860 /nfs/dbraw/zinc/58/18/60/1063581860.db2.gz MMXRFBJLXDWEPX-GGAORHGYSA-N 1 0 470.662 2.644 20 0 JFADRO C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCCO1 ZINC001291275018 1063581908 /nfs/dbraw/zinc/58/19/08/1063581908.db2.gz LHAHVEPEFVJZNN-NRFANRHFSA-N 1 0 456.635 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001295550134 1063582753 /nfs/dbraw/zinc/58/27/53/1063582753.db2.gz DOZCTCSAKVTAIT-SVFBPWRDSA-N 1 0 467.618 2.592 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001295551004 1063583653 /nfs/dbraw/zinc/58/36/53/1063583653.db2.gz PZTHYKAYLSCFLP-GOSISDBHSA-N 1 0 466.627 2.782 20 0 JFADRO CC[NH+](CC)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001295551191 1063584354 /nfs/dbraw/zinc/58/43/54/1063584354.db2.gz QLHPFYRSOBPMRU-UHFFFAOYSA-N 1 0 477.698 2.953 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001295551801 1063585091 /nfs/dbraw/zinc/58/50/91/1063585091.db2.gz VQTGCJWKEMVDHT-UAFMIMERSA-N 1 0 479.622 2.669 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001295552178 1063585614 /nfs/dbraw/zinc/58/56/14/1063585614.db2.gz XYJJKKBTYWXZHH-CHWSQXEVSA-N 1 0 453.440 2.518 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 ZINC001295553140 1063586035 /nfs/dbraw/zinc/58/60/35/1063586035.db2.gz BTMQLUIAHRARIH-CQSZACIVSA-N 1 0 467.387 2.903 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ncc(C)s2)CC1 ZINC001295552238 1063586082 /nfs/dbraw/zinc/58/60/82/1063586082.db2.gz ZNJWDVYLALCEMB-WBVHZDCISA-N 1 0 483.708 2.768 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001295553786 1063586916 /nfs/dbraw/zinc/58/69/16/1063586916.db2.gz LVRAZVKZTQBMOL-GDBMZVCRSA-N 1 0 499.479 2.841 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001295553888 1063586968 /nfs/dbraw/zinc/58/69/68/1063586968.db2.gz MSDGUCJAIHXEMG-MZNJEOGPSA-N 1 0 458.607 2.655 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001295553873 1063586984 /nfs/dbraw/zinc/58/69/84/1063586984.db2.gz MUBMCJJVRHBBHV-OAHLLOKOSA-N 1 0 499.479 2.794 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295554022 1063587589 /nfs/dbraw/zinc/58/75/89/1063587589.db2.gz PVQFBVKZKQCSLN-SJORKVTESA-N 1 0 490.450 2.994 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001295554127 1063588060 /nfs/dbraw/zinc/58/80/60/1063588060.db2.gz QURSMLPZCXWGIX-GOSISDBHSA-N 1 0 490.674 2.526 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291276803 1063588044 /nfs/dbraw/zinc/58/80/44/1063588044.db2.gz RZKCUZSMNSFVRD-LZQZEXGQSA-N 1 0 498.525 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001295554405 1063588428 /nfs/dbraw/zinc/58/84/28/1063588428.db2.gz WOFBEIGOSBAVRY-SJORKVTESA-N 1 0 486.024 2.861 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001295555204 1063589836 /nfs/dbraw/zinc/58/98/36/1063589836.db2.gz VGTFMOPSTJGANB-IEBWSBKVSA-N 1 0 450.591 2.767 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 ZINC001295558981 1063590843 /nfs/dbraw/zinc/59/08/43/1063590843.db2.gz BJFWTFWTQFVJKJ-LMMKCTJWSA-N 1 0 459.570 2.541 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295559222 1063591923 /nfs/dbraw/zinc/59/19/23/1063591923.db2.gz DNBMDRVFLINRPG-KNQAVFIVSA-N 1 0 485.658 2.875 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001295559916 1063592528 /nfs/dbraw/zinc/59/25/28/1063592528.db2.gz NIHNETRQISRUIJ-IAGOWNOFSA-N 1 0 467.574 2.714 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001295560686 1063593879 /nfs/dbraw/zinc/59/38/79/1063593879.db2.gz XBZOYLLFSDRJOG-MOPGFXCFSA-N 1 0 483.617 2.954 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001295563465 1063596372 /nfs/dbraw/zinc/59/63/72/1063596372.db2.gz MESCBIMPIQUHSK-WOJBJXKFSA-N 1 0 492.665 2.934 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCN(c2cccnn2)CC1 ZINC001295563861 1063597080 /nfs/dbraw/zinc/59/70/80/1063597080.db2.gz OTAUNGKCGWMGGI-HXUWFJFHSA-N 1 0 464.618 2.724 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001295566202 1063599466 /nfs/dbraw/zinc/59/94/66/1063599466.db2.gz RYJNYBZZNZJQDA-DYXWJJEUSA-N 1 0 472.638 2.648 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001295566339 1063599900 /nfs/dbraw/zinc/59/99/00/1063599900.db2.gz SOJSTXOONCNCCO-HBFSDRIKSA-N 1 0 473.618 2.973 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001295566341 1063600029 /nfs/dbraw/zinc/60/00/29/1063600029.db2.gz SOJSTXOONCNCCO-WSTZPKSXSA-N 1 0 473.618 2.973 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001295567258 1063601833 /nfs/dbraw/zinc/60/18/33/1063601833.db2.gz YUGDSEBOUWKCIF-OWCLPIDISA-N 1 0 451.559 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001295569645 1063604176 /nfs/dbraw/zinc/60/41/76/1063604176.db2.gz UMNVWXMITGSUSX-GOSISDBHSA-N 1 0 480.617 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001295570158 1063604876 /nfs/dbraw/zinc/60/48/76/1063604876.db2.gz LKMSCBYYLHYAOW-HXUWFJFHSA-N 1 0 496.660 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)ccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295571049 1063607531 /nfs/dbraw/zinc/60/75/31/1063607531.db2.gz ZMZOBMKOZILWOC-UXHICEINSA-N 1 0 463.648 2.828 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(c2nccs2)CC1 ZINC001295571856 1063609053 /nfs/dbraw/zinc/60/90/53/1063609053.db2.gz BPQMAIVCBUYSTP-AABGKKOBSA-N 1 0 477.679 2.906 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001295572388 1063610095 /nfs/dbraw/zinc/61/00/95/1063610095.db2.gz JQNSJDGVVRFOFL-FCGDIQPGSA-N 1 0 455.669 2.550 20 0 JFADRO CCN(Cc1c(F)cccc1F)c1nnc(-c2cnccn2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001295577335 1063615483 /nfs/dbraw/zinc/61/54/83/1063615483.db2.gz YLFSGZOIFZJKGC-QGZVFWFLSA-N 1 0 457.529 2.887 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2ccco2)[NH+](C)C)CC(=O)N1C ZINC001291284001 1063622086 /nfs/dbraw/zinc/62/20/86/1063622086.db2.gz QYRKFLMYBPFXML-NEYJZJCJSA-N 1 0 458.607 2.760 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001291286174 1063630045 /nfs/dbraw/zinc/63/00/45/1063630045.db2.gz DQXXVYBEXZTGPB-AQNXPRMDSA-N 1 0 492.665 2.509 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CCCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295585599 1063632337 /nfs/dbraw/zinc/63/23/37/1063632337.db2.gz WQOYLHGCCINTSL-SANMLTNESA-N 1 0 468.646 2.806 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001295589839 1063635347 /nfs/dbraw/zinc/63/53/47/1063635347.db2.gz WUFWWNSGRGDTAJ-UHFFFAOYSA-N 1 0 472.609 2.915 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC[NH+](C2CC2)CC1 ZINC001295593328 1063637290 /nfs/dbraw/zinc/63/72/90/1063637290.db2.gz LHCDYUNLDSNIJK-QGZVFWFLSA-N 1 0 478.638 2.928 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001291287295 1063637953 /nfs/dbraw/zinc/63/79/53/1063637953.db2.gz YSNAXWYFKFXOBE-GBESFXJTSA-N 1 0 494.706 2.837 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287602 1063640434 /nfs/dbraw/zinc/64/04/34/1063640434.db2.gz FJUOICSKIRWKPX-GUDVDZBRSA-N 1 0 480.617 2.535 20 0 JFADRO C[C@@H](CC(N)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287601 1063640575 /nfs/dbraw/zinc/64/05/75/1063640575.db2.gz FJUOICSKIRWKPX-GBESFXJTSA-N 1 0 480.617 2.535 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001295595977 1063640871 /nfs/dbraw/zinc/64/08/71/1063640871.db2.gz XMOCJAFGTZSXCJ-JOCHJYFZSA-N 1 0 482.608 2.787 20 0 JFADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287916 1063644229 /nfs/dbraw/zinc/64/42/29/1063644229.db2.gz JXTLPIHQPINQSU-YRXWBPOGSA-N 1 0 491.036 2.882 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288006 1063645025 /nfs/dbraw/zinc/64/50/25/1063645025.db2.gz LTAOZGFXXIQCGZ-BDXSIMOUSA-N 1 0 484.692 2.647 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccoc2)C[C@H](C)O1 ZINC001291288443 1063649590 /nfs/dbraw/zinc/64/95/90/1063649590.db2.gz SIZHFHXIRPMSRR-ROUUACIJSA-N 1 0 453.547 2.654 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCc3ccccc32)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288554 1063650376 /nfs/dbraw/zinc/65/03/76/1063650376.db2.gz UNAVLOOACLVKFE-NXWNEQKCSA-N 1 0 490.674 2.511 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291288957 1063653202 /nfs/dbraw/zinc/65/32/02/1063653202.db2.gz BGFYJOVJZGQZMX-BHIFYINESA-N 1 0 483.661 2.828 20 0 JFADRO CCN(Cc1ccc2c(c1)OCO2)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1CC ZINC001295608680 1063658794 /nfs/dbraw/zinc/65/87/94/1063658794.db2.gz XYQOQLIALWIUBP-PKOBYXMFSA-N 1 0 492.646 2.518 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C[C@H](C)O1 ZINC001291289718 1063659006 /nfs/dbraw/zinc/65/90/06/1063659006.db2.gz OSFCYCSCVKUFDR-WSTZPKSXSA-N 1 0 494.562 2.949 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](NC(=O)C(C)(C)C)C2)C[C@@H](C)O1 ZINC001291290043 1063661421 /nfs/dbraw/zinc/66/14/21/1063661421.db2.gz UILSSQCFRRXPAF-SJBKTWHCSA-N 1 0 483.661 2.971 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Cl)cc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291290341 1063663713 /nfs/dbraw/zinc/66/37/13/1063663713.db2.gz YPASRWRIPJDTOV-MSOLQXFVSA-N 1 0 461.010 2.766 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291291104 1063666450 /nfs/dbraw/zinc/66/64/50/1063666450.db2.gz KFGCGKBIOYZYDQ-YPAWHYETSA-N 1 0 478.682 2.566 20 0 JFADRO CCN(Cc1ccccc1C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295623876 1063668283 /nfs/dbraw/zinc/66/82/83/1063668283.db2.gz CTVXISVEGBMWFB-DEOSSOPVSA-N 1 0 468.627 2.671 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C[C@@H](C)O1 ZINC001291291321 1063669317 /nfs/dbraw/zinc/66/93/17/1063669317.db2.gz NCEVPQXFHRIROC-HLIPFELVSA-N 1 0 492.571 2.966 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC2CC2)CCCO1 ZINC001291291787 1063671877 /nfs/dbraw/zinc/67/18/77/1063671877.db2.gz UYFRDQOPGVFOJF-CTNGQTDRSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C[C@@H](C)O1 ZINC001291291843 1063671919 /nfs/dbraw/zinc/67/19/19/1063671919.db2.gz VLKFFRMBRPTJBJ-KZNAEPCWSA-N 1 0 482.580 2.512 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291291875 1063672385 /nfs/dbraw/zinc/67/23/85/1063672385.db2.gz VTIQOVYLQAQMSM-CALCHBBNSA-N 1 0 486.583 2.940 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3noc4c3COCC4)nnc2N(C)CCC(F)F)C[C@@H](C)O1 ZINC001291291984 1063673453 /nfs/dbraw/zinc/67/34/53/1063673453.db2.gz XDLQAFZAAFWFCN-HUUCEWRRSA-N 1 0 454.522 2.597 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291292902 1063679145 /nfs/dbraw/zinc/67/91/45/1063679145.db2.gz LOAZZVHLFUWSKA-SJBKTWHCSA-N 1 0 499.660 2.867 20 0 JFADRO C[C@@H](N1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1)C(F)(F)F ZINC001291293112 1063681982 /nfs/dbraw/zinc/68/19/82/1063681982.db2.gz PEEIEYMNSZLZQG-WOJBJXKFSA-N 1 0 495.594 2.838 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291293181 1063682686 /nfs/dbraw/zinc/68/26/86/1063682686.db2.gz QIWRICFXRSTGQB-HDICACEKSA-N 1 0 491.036 2.712 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CCCO1 ZINC001291293209 1063683790 /nfs/dbraw/zinc/68/37/90/1063683790.db2.gz QRMWTOZOGYPBKC-PKOBYXMFSA-N 1 0 468.524 2.532 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CC3CC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291293336 1063684530 /nfs/dbraw/zinc/68/45/30/1063684530.db2.gz SVYFRDRLKOXXTN-CMKODMSKSA-N 1 0 462.639 2.833 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)C[C@@H](C)O1 ZINC001291293619 1063685267 /nfs/dbraw/zinc/68/52/67/1063685267.db2.gz XHTVFSGLUVTWJU-NJDAHSKKSA-N 1 0 460.667 2.957 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)CCCO1 ZINC001291293852 1063686084 /nfs/dbraw/zinc/68/60/84/1063686084.db2.gz AMJLIRBLUYWFQA-INIZCTEOSA-N 1 0 454.570 2.570 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291293785 1063686196 /nfs/dbraw/zinc/68/61/96/1063686196.db2.gz ZLYVKSZXIFAXJX-VXKWHMMOSA-N 1 0 468.646 2.621 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO ZINC001291294019 1063686648 /nfs/dbraw/zinc/68/66/48/1063686648.db2.gz CYICPONJVSVACI-DOTOQJQBSA-N 1 0 482.398 2.919 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293925 1063686729 /nfs/dbraw/zinc/68/67/29/1063686729.db2.gz BUZMCCMWNCMSKZ-SJLPKXTDSA-N 1 0 483.585 2.693 20 0 JFADRO CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295646151 1063687689 /nfs/dbraw/zinc/68/76/89/1063687689.db2.gz BPYKPTYOZQMEGG-KDURUIRLSA-N 1 0 460.648 2.988 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291294028 1063687912 /nfs/dbraw/zinc/68/79/12/1063687912.db2.gz CZUUMVQFKMPFEA-SOLBZPMBSA-N 1 0 473.540 2.977 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CC(=O)NCC(F)F ZINC001291294766 1063691414 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CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC001295820696 1063826074 /nfs/dbraw/zinc/82/60/74/1063826074.db2.gz GZMMXXCYXVUKNI-HXUWFJFHSA-N 1 0 492.632 2.551 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001295820587 1063826171 /nfs/dbraw/zinc/82/61/71/1063826171.db2.gz DXIICPMQJBXKHT-PKOBYXMFSA-N 1 0 498.632 2.759 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001291343024 1063827922 /nfs/dbraw/zinc/82/79/22/1063827922.db2.gz FCTUDFUCXNUYIA-CEMLEFRQSA-N 1 0 454.619 2.798 20 0 JFADRO CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001295822405 1063829155 /nfs/dbraw/zinc/82/91/55/1063829155.db2.gz ZXVYMODQZAYYKS-UHFFFAOYSA-N 1 0 483.646 2.747 20 0 JFADRO CC[N@H+](CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C ZINC001295823646 1063830496 /nfs/dbraw/zinc/83/04/96/1063830496.db2.gz QMFRXVSSGNTCQR-LJQANCHMSA-N 1 0 490.450 2.994 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](COC)C1)C(C)C ZINC001295823942 1063831118 /nfs/dbraw/zinc/83/11/18/1063831118.db2.gz XVVWINPBMDOLJF-QGZVFWFLSA-N 1 0 469.428 2.628 20 0 JFADRO CC[N@H+](CCn1c(-c2cc(F)ccc2Br)nnc1N1CCS(=O)(=O)CC1)C1CC1 ZINC001295824566 1063832746 /nfs/dbraw/zinc/83/27/46/1063832746.db2.gz GTMQJMQVIOHXBH-UHFFFAOYSA-N 1 0 486.411 2.566 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001291344457 1063833248 /nfs/dbraw/zinc/83/32/48/1063833248.db2.gz CVUFFQTWLZUFCA-VXKWHMMOSA-N 1 0 489.064 2.864 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCCC[NH+]2CCOCC2)C1 ZINC001291345191 1063836772 /nfs/dbraw/zinc/83/67/72/1063836772.db2.gz RGVSXGGFPVYZNY-JOCHJYFZSA-N 1 0 472.609 2.615 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1)C(C)C ZINC001295829263 1063840377 /nfs/dbraw/zinc/84/03/77/1063840377.db2.gz GJVISFUGMXXEEG-UHFFFAOYSA-N 1 0 490.052 2.799 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001295829332 1063840867 /nfs/dbraw/zinc/84/08/67/1063840867.db2.gz HOZYGTCGCAAIAY-HZPDHXFCSA-N 1 0 485.942 2.983 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1)CCC(F)(F)F ZINC001295829417 1063841575 /nfs/dbraw/zinc/84/15/75/1063841575.db2.gz IKIMHEAXVVMQDG-KRWDZBQOSA-N 1 0 488.942 2.824 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001291346108 1063843406 /nfs/dbraw/zinc/84/34/06/1063843406.db2.gz KBOPBKDWPWNUDB-FGZHOGPDSA-N 1 0 468.646 2.909 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C(C)C ZINC001295831184 1063845861 /nfs/dbraw/zinc/84/58/61/1063845861.db2.gz VFWIBYKUMSIWQB-UHFFFAOYSA-N 1 0 499.685 2.989 20 0 JFADRO CCC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC[N@H+]2CC)C1 ZINC001291346702 1063846041 /nfs/dbraw/zinc/84/60/41/1063846041.db2.gz YDKOMPFTVKZOQI-NHCUHLMSSA-N 1 0 454.619 2.879 20 0 JFADRO CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(N)=O)C1)CCC(F)(F)F ZINC001295831483 1063846747 /nfs/dbraw/zinc/84/67/47/1063846747.db2.gz YATUOKNSHYLTMZ-AWEZNQCLSA-N 1 0 459.904 2.579 20 0 JFADRO CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1)CCC(F)(F)F ZINC001295835282 1063851203 /nfs/dbraw/zinc/85/12/03/1063851203.db2.gz AMIJTUBMKXHQKE-NRFANRHFSA-N 1 0 468.524 2.930 20 0 JFADRO CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001291347987 1063851648 /nfs/dbraw/zinc/85/16/48/1063851648.db2.gz XUQKRSYBTBVQNP-FQEVSTJZSA-N 1 0 488.608 2.602 20 0 JFADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1)CCC(F)(F)F ZINC001295836783 1063853951 /nfs/dbraw/zinc/85/39/51/1063853951.db2.gz DYSIACVIIBBKFZ-UHFFFAOYSA-N 1 0 477.539 2.675 20 0 JFADRO CC[N@H+](CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295837194 1063854419 /nfs/dbraw/zinc/85/44/19/1063854419.db2.gz JCLOAWCKEBUUBA-QGZVFWFLSA-N 1 0 455.529 2.663 20 0 JFADRO CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC001291349753 1063856292 /nfs/dbraw/zinc/85/62/92/1063856292.db2.gz XCQYMPVUSLQNQD-JENIJYKNSA-N 1 0 452.669 2.778 20 0 JFADRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)C(C)C ZINC001295838530 1063856620 /nfs/dbraw/zinc/85/66/20/1063856620.db2.gz YDCGOUNOQRGBEZ-UHFFFAOYSA-N 1 0 465.606 2.504 20 0 JFADRO CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1)CCC(F)(F)F ZINC001295841307 1063859745 /nfs/dbraw/zinc/85/97/45/1063859745.db2.gz ALUCULOFJPZRPN-UHFFFAOYSA-N 1 0 493.538 2.628 20 0 JFADRO CC[N@H+](CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2ccccc2)CC1)C(C)C ZINC001295841746 1063861436 /nfs/dbraw/zinc/86/14/36/1063861436.db2.gz PPIDGRQVOPALAN-UHFFFAOYSA-N 1 0 462.602 2.818 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844216 1063863351 /nfs/dbraw/zinc/86/33/51/1063863351.db2.gz AJUUMSGJUJPJEN-SFHVURJKSA-N 1 0 499.607 2.887 20 0 JFADRO CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291358583 1063865918 /nfs/dbraw/zinc/86/59/18/1063865918.db2.gz PCLKQIMEVDMRBM-WNCULLNHSA-N 1 0 497.688 2.913 20 0 JFADRO CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291358582 1063865956 /nfs/dbraw/zinc/86/59/56/1063865956.db2.gz PCLKQIMEVDMRBM-KCWPFWIISA-N 1 0 497.688 2.913 20 0 JFADRO CC[N@H+](CCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)CCC(F)(F)F ZINC001295845265 1063866066 /nfs/dbraw/zinc/86/60/66/1063866066.db2.gz ILPUQUCKBUYNJP-UHFFFAOYSA-N 1 0 485.599 2.564 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)C(C)C ZINC001295845394 1063866576 /nfs/dbraw/zinc/86/65/76/1063866576.db2.gz MSFDFACXGWXBEA-LJQANCHMSA-N 1 0 487.674 2.728 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1)C(C)C ZINC001295845391 1063866622 /nfs/dbraw/zinc/86/66/22/1063866622.db2.gz MSFDFACXGWXBEA-IBGZPJMESA-N 1 0 487.674 2.728 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CCc2ccccc2)C1)C(C)C ZINC001295845618 1063867153 /nfs/dbraw/zinc/86/71/53/1063867153.db2.gz QUFNQFNKBMHROV-YADHBBJMSA-N 1 0 454.619 2.798 20 0 JFADRO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001291360024 1063870123 /nfs/dbraw/zinc/87/01/23/1063870123.db2.gz OUULWCWBKDJYNL-ICPLQIHGSA-N 1 0 461.010 2.695 20 0 JFADRO CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001291360026 1063870176 /nfs/dbraw/zinc/87/01/76/1063870176.db2.gz OUULWCWBKDJYNL-QUZZAMIASA-N 1 0 461.010 2.695 20 0 JFADRO CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001291361122 1063873669 /nfs/dbraw/zinc/87/36/69/1063873669.db2.gz HFYQDTZIKKMLIS-KKVAFCGZSA-N 1 0 451.413 2.880 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1)C(C)C ZINC001295853134 1063878887 /nfs/dbraw/zinc/87/88/87/1063878887.db2.gz NZGZUSRPEBXYTM-NRFANRHFSA-N 1 0 454.619 2.911 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)CCC(F)(F)F ZINC001295853164 1063879682 /nfs/dbraw/zinc/87/96/82/1063879682.db2.gz OOSUONOMYMQLGK-WAOWUJCRSA-N 1 0 475.556 2.831 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1)CCC(F)(F)F ZINC001295853162 1063879714 /nfs/dbraw/zinc/87/97/14/1063879714.db2.gz OOSUONOMYMQLGK-OPYAIIAOSA-N 1 0 475.556 2.831 20 0 JFADRO COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001295853279 1063880391 /nfs/dbraw/zinc/88/03/91/1063880391.db2.gz WCIARLCGZGWZSS-OAQYLSRUSA-N 1 0 458.559 2.913 20 0 JFADRO CC[N@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOC(C)(C)C1)C(C)C ZINC001295854055 1063882079 /nfs/dbraw/zinc/88/20/79/1063882079.db2.gz UAKWDJAYNKQJLJ-UHFFFAOYSA-N 1 0 456.639 2.798 20 0 JFADRO CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)C1)CCC(F)(F)F ZINC001295854926 1063883929 /nfs/dbraw/zinc/88/39/29/1063883929.db2.gz NARRBDWHGDCJQE-UHFFFAOYSA-N 1 0 452.525 2.730 20 0 JFADRO CC[N@H+](CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001295855562 1063885861 /nfs/dbraw/zinc/88/58/61/1063885861.db2.gz RFOCUERIFTUAQS-QHCPKHFHSA-N 1 0 481.613 2.892 20 0 JFADRO CC[N@H+](CCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)CCC(F)(F)F ZINC001295859888 1063891480 /nfs/dbraw/zinc/89/14/80/1063891480.db2.gz ZRVGMMUSWQDPPK-OAQYLSRUSA-N 1 0 481.523 2.569 20 0 JFADRO CC[N@H+](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)C(C)C ZINC001295861523 1063893919 /nfs/dbraw/zinc/89/39/19/1063893919.db2.gz YNHCIRUQSOVEJO-NRFANRHFSA-N 1 0 480.661 2.940 20 0 JFADRO CC[N@H+](CCn1c(CC2CC2)nnc1N1CCN(c2ncccn2)CC1)CCC(F)(F)F ZINC001295862359 1063894641 /nfs/dbraw/zinc/89/46/41/1063894641.db2.gz MQCGUGLXJBDMMX-UHFFFAOYSA-N 1 0 452.529 2.622 20 0 JFADRO CC[N@H+](CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C1CC1 ZINC001295861946 1063894661 /nfs/dbraw/zinc/89/46/61/1063894661.db2.gz IQAZROPVJQVWNA-QGZVFWFLSA-N 1 0 456.557 3.000 20 0 JFADRO CC[N@H+](CCn1c(CC2CC2)nnc1N1CCN(c2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295862817 1063894929 /nfs/dbraw/zinc/89/49/29/1063894929.db2.gz RKATWEHANWAWNW-UHFFFAOYSA-N 1 0 454.545 2.565 20 0 JFADRO CC[N@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)C(C)C ZINC001295865539 1063897745 /nfs/dbraw/zinc/89/77/45/1063897745.db2.gz MIEWXNQWKFSDHA-LEWJYISDSA-N 1 0 454.619 2.919 20 0 JFADRO CC[N@H+](CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C ZINC001295865773 1063898602 /nfs/dbraw/zinc/89/86/02/1063898602.db2.gz PGAXSNOZPCUYJS-NRFANRHFSA-N 1 0 469.634 2.760 20 0 JFADRO CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1)CCC(F)(F)F ZINC001295866347 1063900852 /nfs/dbraw/zinc/90/08/52/1063900852.db2.gz KSHNSOKJFUZWNP-IBGZPJMESA-N 1 0 484.571 2.519 20 0 JFADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001295867551 1063902197 /nfs/dbraw/zinc/90/21/97/1063902197.db2.gz VDJBUFAQKYKGTL-LJQANCHMSA-N 1 0 477.654 2.624 20 0 JFADRO CC[N@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1)C(C)C ZINC001295867807 1063903250 /nfs/dbraw/zinc/90/32/50/1063903250.db2.gz ZRNQZLGUSZVESG-UHFFFAOYSA-N 1 0 487.596 2.684 20 0 JFADRO CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(CC)C1)CCC(F)(F)F ZINC001295867789 1063903312 /nfs/dbraw/zinc/90/33/12/1063903312.db2.gz ZHGJMEBFFKMPAL-HXUWFJFHSA-N 1 0 460.545 2.680 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(C)C ZINC001295868905 1063905891 /nfs/dbraw/zinc/90/58/91/1063905891.db2.gz BHZWVBUXESNIJB-OAQYLSRUSA-N 1 0 494.637 2.510 20 0 JFADRO CC[C@](C)(O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001291375852 1063905787 /nfs/dbraw/zinc/90/57/87/1063905787.db2.gz KRWLBDISWFFNHA-GJZUVCINSA-N 1 0 471.646 2.782 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001295869294 1063906233 /nfs/dbraw/zinc/90/62/33/1063906233.db2.gz LYLPHHAWJVQLPX-GUDVDZBRSA-N 1 0 455.669 2.550 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3ccccc3n2)n1CC[N@@H+]1CCC[C@H]1C ZINC001295876469 1063915243 /nfs/dbraw/zinc/91/52/43/1063915243.db2.gz DHBFBWZWLXIYNH-GOSISDBHSA-N 1 0 456.616 2.849 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Br)s2)n1CC[N@H+](C)C(C)C ZINC001295878336 1063920175 /nfs/dbraw/zinc/92/01/75/1063920175.db2.gz RQNNYATXDDNDFT-UHFFFAOYSA-N 1 0 478.482 2.980 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001291381763 1063921364 /nfs/dbraw/zinc/92/13/64/1063921364.db2.gz NIYLFCIPZZTSSD-CUNXSJBXSA-N 1 0 497.688 2.570 20 0 JFADRO COc1ccc(C2N=NC(=S)N2CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC001295881943 1063928758 /nfs/dbraw/zinc/92/87/58/1063928758.db2.gz NOKPNXRPWQBZFA-UHFFFAOYSA-N 1 0 453.568 2.838 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001295884622 1063930565 /nfs/dbraw/zinc/93/05/65/1063930565.db2.gz ABWIFEBHWBEGSJ-AUSIDOKSSA-N 1 0 462.664 2.645 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc(CC(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CCN2C1=O ZINC001295892604 1063944802 /nfs/dbraw/zinc/94/48/02/1063944802.db2.gz GWUBRFIYKXPUSW-NHCUHLMSSA-N 1 0 467.618 2.561 20 0 JFADRO CC[C@@H](C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001291393881 1063947438 /nfs/dbraw/zinc/94/74/38/1063947438.db2.gz QCGCQOHHBFVABX-NIYFSFCBSA-N 1 0 481.645 2.910 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)CCN2C1=O ZINC001295896040 1063948456 /nfs/dbraw/zinc/94/84/56/1063948456.db2.gz UVTILKHMCZYBHQ-RTWAWAEBSA-N 1 0 481.645 2.951 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(Cc4ccccc4C)n3C[C@@H](CC(C)C)[NH+](C)C)CCN2C1=O ZINC001295896279 1063949226 /nfs/dbraw/zinc/94/92/26/1063949226.db2.gz XODWKYRDLGDFFB-YADHBBJMSA-N 1 0 481.645 2.626 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)CCO2)cn1 ZINC001295896758 1063950264 /nfs/dbraw/zinc/95/02/64/1063950264.db2.gz KDQVSEHMATWWCN-NZQKXSOJSA-N 1 0 494.644 2.731 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001291395783 1063950784 /nfs/dbraw/zinc/95/07/84/1063950784.db2.gz PMUNEVBKPWVEPM-HWHXTQLESA-N 1 0 454.619 2.657 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001291395938 1063951437 /nfs/dbraw/zinc/95/14/37/1063951437.db2.gz RJSUODCSZGKKCF-QYXIYQDXSA-N 1 0 454.619 2.657 20 0 JFADRO CCn1cc([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CCO2)cn1 ZINC001295900586 1063953629 /nfs/dbraw/zinc/95/36/29/1063953629.db2.gz DUIHIJBBSRMXMS-VXKWHMMOSA-N 1 0 459.639 2.628 20 0 JFADRO CC[C@@H](C)[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291399323 1063958490 /nfs/dbraw/zinc/95/84/90/1063958490.db2.gz JPOOMOFLBPZRIP-CJFMBICVSA-N 1 0 466.634 2.507 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291400062 1063959893 /nfs/dbraw/zinc/95/98/93/1063959893.db2.gz SRXNHUYDHDZRBJ-RXFWQSSRSA-N 1 0 486.636 2.550 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001291402290 1063965333 /nfs/dbraw/zinc/96/53/33/1063965333.db2.gz VXAROFRHPLKBDY-HOIFWPIMSA-N 1 0 450.653 2.588 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001291402292 1063965471 /nfs/dbraw/zinc/96/54/71/1063965471.db2.gz VXAROFRHPLKBDY-PNLZDCPESA-N 1 0 450.653 2.588 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001291403109 1063967289 /nfs/dbraw/zinc/96/72/89/1063967289.db2.gz GTBGQAJBUHNNAN-CTIGNXTNSA-N 1 0 473.666 2.626 20 0 JFADRO CC(C)C[C@H](NC(=O)[C@H](C)c1ccc(I)cc1)C(=O)NCC[NH+](C)C ZINC001295921398 1063976896 /nfs/dbraw/zinc/97/68/96/1063976896.db2.gz PTDQBWRSXBTOMR-PBHICJAKSA-N 1 0 459.372 2.603 20 0 JFADRO CC[C@H](C)[C@H](Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291418609 1063997873 /nfs/dbraw/zinc/99/78/73/1063997873.db2.gz ZXEZVJPVGYNZEO-CSGUBPAMSA-N 1 0 460.667 2.986 20 0 JFADRO CC[C@H](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C2CCCC2)CC1)OC ZINC001291419308 1063998668 /nfs/dbraw/zinc/99/86/68/1063998668.db2.gz JKDHXQCHPMTTAC-ZVDOUQERSA-N 1 0 467.680 2.696 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291427457 1064010562 /nfs/dbraw/zinc/01/05/62/1064010562.db2.gz KOWSPCWGIDOUQA-XUVXKRRUSA-N 1 0 491.706 2.635 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001291433164 1064013270 /nfs/dbraw/zinc/01/32/70/1064013270.db2.gz UCSYTYVCDAHMNL-UXHICEINSA-N 1 0 456.639 2.798 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCC(=O)NC(C)(C)C ZINC001291434299 1064014856 /nfs/dbraw/zinc/01/48/56/1064014856.db2.gz MCMXDXAGWGLUNS-IBGZPJMESA-N 1 0 458.655 2.894 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001291435124 1064015996 /nfs/dbraw/zinc/01/59/96/1064015996.db2.gz YJVAJTZZUYZEHG-IRLDBZIGSA-N 1 0 489.686 2.832 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001291436412 1064017067 /nfs/dbraw/zinc/01/70/67/1064017067.db2.gz USNVHDSNOAOKQO-HXUWFJFHSA-N 1 0 454.619 2.731 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1C[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001291436129 1064017127 /nfs/dbraw/zinc/01/71/27/1064017127.db2.gz PKQPJAVWOXNNDV-RBBKRZOGSA-N 1 0 484.645 2.932 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001295975458 1064019232 /nfs/dbraw/zinc/01/92/32/1064019232.db2.gz CAVPGPCRXUKQQO-SJORKVTESA-N 1 0 495.550 2.817 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C ZINC001295975933 1064021204 /nfs/dbraw/zinc/02/12/04/1064021204.db2.gz HAGSAHQVJDQHNK-VBURHUQHSA-N 1 0 462.545 2.944 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001291455903 1064021786 /nfs/dbraw/zinc/02/17/86/1064021786.db2.gz GLQHXCDLKCNCHQ-QPPBQGQZSA-N 1 0 484.689 2.954 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295976610 1064022092 /nfs/dbraw/zinc/02/20/92/1064022092.db2.gz HPGSDZJQTCQCLQ-PMACEKPBSA-N 1 0 493.612 2.918 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295976838 1064022524 /nfs/dbraw/zinc/02/25/24/1064022524.db2.gz LOXPUHPNZJBXME-KBPBESRZSA-N 1 0 472.487 2.847 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001291457087 1064023363 /nfs/dbraw/zinc/02/33/63/1064023363.db2.gz DSKBJGZDGPJFAE-NRFANRHFSA-N 1 0 470.662 2.565 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001295977592 1064023848 /nfs/dbraw/zinc/02/38/48/1064023848.db2.gz OTTYQWRDNIKROX-VQTJNVASSA-N 1 0 497.669 2.866 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024214 /nfs/dbraw/zinc/02/42/14/1064024214.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 1 0 456.635 2.983 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001295978764 1064026519 /nfs/dbraw/zinc/02/65/19/1064026519.db2.gz LAPPRNJWDGJCRV-UMTXDNHDSA-N 1 0 498.672 2.976 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001295978846 1064027587 /nfs/dbraw/zinc/02/75/87/1064027587.db2.gz TYGWXUYTTQGGAL-STSQHVNTSA-N 1 0 463.648 2.675 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001295979762 1064028728 /nfs/dbraw/zinc/02/87/28/1064028728.db2.gz XDTRMMBNCNXKQS-XFAGBWLFSA-N 1 0 461.607 2.669 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CCOC)C[C@H]1C ZINC001295979764 1064028743 /nfs/dbraw/zinc/02/87/43/1064028743.db2.gz XDTRMMBNCNXKQS-YTZAWJCFSA-N 1 0 461.607 2.669 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001291467893 1064028906 /nfs/dbraw/zinc/02/89/06/1064028906.db2.gz DWECNLCZHBLACU-FDFHNCONSA-N 1 0 490.693 2.804 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)c(OC)c2)C[C@H]1C ZINC001295980171 1064029586 /nfs/dbraw/zinc/02/95/86/1064029586.db2.gz QUCIOBDPSOFPLP-WOJBJXKFSA-N 1 0 454.619 2.993 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470125 1064030108 /nfs/dbraw/zinc/03/01/08/1064030108.db2.gz LTLORUPFHLBZCT-JQVVWYNYSA-N 1 0 469.634 2.622 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)c2cccc(OC)c2)C[C@H]1C ZINC001295980893 1064031538 /nfs/dbraw/zinc/03/15/38/1064031538.db2.gz PYSKXPWXWOBAQX-QYZOEREBSA-N 1 0 492.690 2.794 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001295981462 1064032596 /nfs/dbraw/zinc/03/25/96/1064032596.db2.gz ACTDTPWPTCHGHR-SJORKVTESA-N 1 0 455.994 2.968 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](CC)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291476474 1064034823 /nfs/dbraw/zinc/03/48/23/1064034823.db2.gz RULJKHZPKNHPQL-IHFIDZABSA-N 1 0 450.697 2.776 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2ccccc2F)C[C@@H]1C ZINC001295982473 1064035073 /nfs/dbraw/zinc/03/50/73/1064035073.db2.gz TUXCMZFNHMZBPW-OKZBNKHCSA-N 1 0 466.627 2.579 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001291476828 1064035124 /nfs/dbraw/zinc/03/51/24/1064035124.db2.gz XAXXLSJRSCONTA-UPUUWEMXSA-N 1 0 462.683 2.838 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001291476826 1064035141 /nfs/dbraw/zinc/03/51/41/1064035141.db2.gz XAXXLSJRSCONTA-HULNYRCFSA-N 1 0 462.683 2.838 20 0 JFADRO CC[C@H](C)c1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291478640 1064035571 /nfs/dbraw/zinc/03/55/71/1064035571.db2.gz WPLNPPPIOFKUQY-NSHGMRRFSA-N 1 0 473.618 2.709 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCNS(=O)(=O)c1ccc(C)s1 ZINC001291479155 1064035650 /nfs/dbraw/zinc/03/56/50/1064035650.db2.gz FDWOLBLROCXRHU-BQFCYCMXSA-N 1 0 466.677 2.813 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)C[C@@H]1C ZINC001295982800 1064036558 /nfs/dbraw/zinc/03/65/58/1064036558.db2.gz YJLJMJAPULDHCT-ZWOKBUDYSA-N 1 0 461.010 2.959 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001295983326 1064039038 /nfs/dbraw/zinc/03/90/38/1064039038.db2.gz IAIDNTRJHGASEQ-XGHQBKJUSA-N 1 0 470.618 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2nncn2-c2ccccc2)C[C@@H]1C ZINC001295983542 1064039489 /nfs/dbraw/zinc/03/94/89/1064039489.db2.gz WYZDKVPOABQXJM-SLFFLAALSA-N 1 0 468.606 2.550 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(c3cccc(OC)c3)CC2)C[C@H]1C ZINC001295983879 1064040114 /nfs/dbraw/zinc/04/01/14/1064040114.db2.gz XMZRDRGTOZXWFS-CEXWTWQISA-N 1 0 490.674 2.548 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001295987350 1064043991 /nfs/dbraw/zinc/04/39/91/1064043991.db2.gz ZYUVDZOQFFYXQK-LUFHRXKISA-N 1 0 461.632 2.792 20 0 JFADRO CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC001295990983 1064045363 /nfs/dbraw/zinc/04/53/63/1064045363.db2.gz ONYNPHDASSBFLQ-DNQXCXABSA-N 1 0 456.631 2.988 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@@H]1C ZINC001295990175 1064045435 /nfs/dbraw/zinc/04/54/35/1064045435.db2.gz FGZJOXPOJXMEQL-IRXDYDNUSA-N 1 0 489.671 2.607 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291495851 1064048724 /nfs/dbraw/zinc/04/87/24/1064048724.db2.gz AWVINBRJTRSGSE-IEZWGBDMSA-N 1 0 473.647 2.923 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001295993825 1064049701 /nfs/dbraw/zinc/04/97/01/1064049701.db2.gz UIKOCKDYZUCZQS-JKSUJKDBSA-N 1 0 459.396 2.918 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001295993824 1064049740 /nfs/dbraw/zinc/04/97/40/1064049740.db2.gz UIKOCKDYZUCZQS-HZPDHXFCSA-N 1 0 459.396 2.918 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001295994749 1064050742 /nfs/dbraw/zinc/05/07/42/1064050742.db2.gz JKARCAZWKWBMAT-XYJFISCASA-N 1 0 493.454 2.588 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCCn2cnnn2)C[C@@H]1C ZINC001295995189 1064050979 /nfs/dbraw/zinc/05/09/79/1064050979.db2.gz XPZYOUDDWQOGLR-JKSUJKDBSA-N 1 0 474.411 2.703 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(C[N@H+](C)C(C)C)CC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001291501563 1064052164 /nfs/dbraw/zinc/05/21/64/1064052164.db2.gz REUUCBVJXAIFRQ-IBGZPJMESA-N 1 0 486.752 2.727 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996820 1064053260 /nfs/dbraw/zinc/05/32/60/1064053260.db2.gz NSOGWSCBTBSAHP-ZWKOTPCHSA-N 1 0 481.601 2.923 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@@H]1C ZINC001295998337 1064055620 /nfs/dbraw/zinc/05/56/20/1064055620.db2.gz VIFUPQCFDDSIHY-IRFCIJBXSA-N 1 0 472.609 2.589 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCCCOC)C[C@H]1C ZINC001295998693 1064055698 /nfs/dbraw/zinc/05/56/98/1064055698.db2.gz VAVOSVWGKNTLBQ-MSOLQXFVSA-N 1 0 453.591 2.538 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291504196 1064055847 /nfs/dbraw/zinc/05/58/47/1064055847.db2.gz LZLQOKCFMISCBU-FUHWJXTLSA-N 1 0 468.693 2.922 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291504195 1064055962 /nfs/dbraw/zinc/05/59/62/1064055962.db2.gz LZLQOKCFMISCBU-AEFFLSMTSA-N 1 0 468.693 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCOc3ccccc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296007648 1064061218 /nfs/dbraw/zinc/06/12/18/1064061218.db2.gz FMBJPCRNCGONAB-FKBYEOEOSA-N 1 0 456.635 2.539 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCNC(=O)c1cccc(OC)c1 ZINC001291510195 1064061591 /nfs/dbraw/zinc/06/15/91/1064061591.db2.gz QUEVKMCMPWBFOY-GMAHTHKFSA-N 1 0 497.688 2.835 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1Cc1ccc(OCC[NH+](C)C)cc1 ZINC001291510476 1064061969 /nfs/dbraw/zinc/06/19/69/1064061969.db2.gz WPJHTAUBGBAYMG-LJQANCHMSA-N 1 0 469.634 2.774 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510505 1064062295 /nfs/dbraw/zinc/06/22/95/1064062295.db2.gz XFRQMYRLLHLHHU-GMAHTHKFSA-N 1 0 497.688 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296008827 1064062928 /nfs/dbraw/zinc/06/29/28/1064062928.db2.gz BPOZYDZWJKWIQU-UXHICEINSA-N 1 0 454.619 2.919 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)C2CC2)C[C@H]1C ZINC001296008830 1064062951 /nfs/dbraw/zinc/06/29/51/1064062951.db2.gz BPOZYDZWJKWIQU-WOJBJXKFSA-N 1 0 454.619 2.919 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296008899 1064063547 /nfs/dbraw/zinc/06/35/47/1064063547.db2.gz BWXFXPIODSSPDG-CABCVRRESA-N 1 0 470.952 2.811 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001296009757 1064066540 /nfs/dbraw/zinc/06/65/40/1064066540.db2.gz MXAZYXZPKWPDPF-FDFHNCONSA-N 1 0 470.662 2.712 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001291514017 1064066637 /nfs/dbraw/zinc/06/66/37/1064066637.db2.gz LBBHBAMNDYTNAT-CRAIPNDOSA-N 1 0 454.666 2.674 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)C[C@@H]1C ZINC001296009804 1064067033 /nfs/dbraw/zinc/06/70/33/1064067033.db2.gz IGSKEPOUGHRQFL-ROUUACIJSA-N 1 0 458.582 2.961 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296010159 1064067468 /nfs/dbraw/zinc/06/74/68/1064067468.db2.gz PKZCTSCCBMFJFG-PMACEKPBSA-N 1 0 457.619 2.532 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001296010864 1064069615 /nfs/dbraw/zinc/06/96/15/1064069615.db2.gz MYOKQDXRPVEYKO-MOPGFXCFSA-N 1 0 499.626 2.984 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296013135 1064074105 /nfs/dbraw/zinc/07/41/05/1064074105.db2.gz MHILNJZRMGEOBP-SEKIOLSNSA-N 1 0 475.609 2.968 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001296014580 1064076433 /nfs/dbraw/zinc/07/64/33/1064076433.db2.gz YOBMUJTUVUBBCB-MOPGFXCFSA-N 1 0 471.581 2.806 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](F)COC)C[C@H]1C ZINC001296016850 1064078016 /nfs/dbraw/zinc/07/80/16/1064078016.db2.gz VPTYATMEIUUTOH-ZRSRNVLSSA-N 1 0 468.618 2.952 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@@H](CNC(C)=O)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001291538047 1064078922 /nfs/dbraw/zinc/07/89/22/1064078922.db2.gz LDWGTCASBWRJFI-RDGATRHJSA-N 1 0 481.689 2.962 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001296017991 1064080269 /nfs/dbraw/zinc/08/02/69/1064080269.db2.gz KMDLBIBJAJWCAY-KRWDZBQOSA-N 1 0 473.588 2.611 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291538984 1064080234 /nfs/dbraw/zinc/08/02/34/1064080234.db2.gz XYUFJMYEXAYASL-ZCNNSNEGSA-N 1 0 454.685 2.678 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001291539084 1064080667 /nfs/dbraw/zinc/08/06/67/1064080667.db2.gz ZNPGVSWWDXPTOX-UFYCRDLUSA-N 1 0 454.685 2.679 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@](O)(c3ccccc3F)C2)CC1 ZINC001296019152 1064080791 /nfs/dbraw/zinc/08/07/91/1064080791.db2.gz UXINFSGKVLCJDE-RUZDIDTESA-N 1 0 472.609 2.775 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](O)(c3ccccc3F)C2)CC1 ZINC001296019153 1064080843 /nfs/dbraw/zinc/08/08/43/1064080843.db2.gz UXINFSGKVLCJDE-VWLOTQADSA-N 1 0 472.609 2.775 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc(CC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)Oc2ccccc21 ZINC001296019417 1064081384 /nfs/dbraw/zinc/08/13/84/1064081384.db2.gz XSKWJHOOWQCSQL-DFBJGRDBSA-N 1 0 456.635 2.657 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001296020767 1064081771 /nfs/dbraw/zinc/08/17/71/1064081771.db2.gz AYVXSVHKDKKBDC-INIZCTEOSA-N 1 0 496.628 2.851 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001291539859 1064081949 /nfs/dbraw/zinc/08/19/49/1064081949.db2.gz JYKXPWQLPIIPIU-PCCBWWKXSA-N 1 0 466.696 2.916 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cccc(OC)c3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001296022332 1064083182 /nfs/dbraw/zinc/08/31/82/1064083182.db2.gz WRBVYWQVBHPAGY-UHFFFAOYSA-N 1 0 497.688 2.722 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc(C)o3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001296022331 1064083220 /nfs/dbraw/zinc/08/32/20/1064083220.db2.gz WPNFGQDCZFUDNS-UHFFFAOYSA-N 1 0 458.607 2.700 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cccn3C)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296022692 1064083514 /nfs/dbraw/zinc/08/35/14/1064083514.db2.gz CTODOBSYIXHVDV-SFHVURJKSA-N 1 0 481.567 2.910 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOc2ccc(F)cc2)CC1 ZINC001296025175 1064085375 /nfs/dbraw/zinc/08/53/75/1064085375.db2.gz NQUWUYGQEYANGJ-HXUWFJFHSA-N 1 0 493.649 2.957 20 0 JFADRO CC[NH+]1CCC(CCn2c(CC3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001296026330 1064086072 /nfs/dbraw/zinc/08/60/72/1064086072.db2.gz BYTPKTCCTWOJMC-UHFFFAOYSA-N 1 0 466.696 2.651 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccsc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296026562 1064086233 /nfs/dbraw/zinc/08/62/33/1064086233.db2.gz CNOURGJIAIFJEM-LJQANCHMSA-N 1 0 451.662 2.676 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccncc3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001296026777 1064086553 /nfs/dbraw/zinc/08/65/53/1064086553.db2.gz HYRQPAZOCDKEBD-UHFFFAOYSA-N 1 0 453.635 2.738 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291545074 1064088762 /nfs/dbraw/zinc/08/87/62/1064088762.db2.gz WHSVZVJKJVPDAN-SFTDATJTSA-N 1 0 484.711 2.541 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCS(=O)CC2)CC1 ZINC001296031576 1064089496 /nfs/dbraw/zinc/08/94/96/1064089496.db2.gz WIUROEOCROEFON-BGYRXZFFSA-N 1 0 494.706 2.740 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032838 1064090070 /nfs/dbraw/zinc/09/00/70/1064090070.db2.gz FLJKQFVXUFMHMN-GJZGRUSLSA-N 1 0 473.018 2.659 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@H](COC)C2)C1 ZINC001296032692 1064090113 /nfs/dbraw/zinc/09/01/13/1064090113.db2.gz BQOGSDNHLXDDET-URVUXULASA-N 1 0 470.618 2.729 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032839 1064090126 /nfs/dbraw/zinc/09/01/26/1064090126.db2.gz FLJKQFVXUFMHMN-HUUCEWRRSA-N 1 0 473.018 2.659 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001296032960 1064090448 /nfs/dbraw/zinc/09/04/48/1064090448.db2.gz GVQUNUOHQNREEH-LQWHRVPQSA-N 1 0 479.622 2.912 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)C1 ZINC001296033002 1064090538 /nfs/dbraw/zinc/09/05/38/1064090538.db2.gz HNLSVIMPXVHXHW-OAQYLSRUSA-N 1 0 481.645 2.794 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033074 1064091047 /nfs/dbraw/zinc/09/10/47/1064091047.db2.gz JBSVFMMPUJHFDC-AQNXPRMDSA-N 1 0 480.654 2.790 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCC[C@@H](NC(C)=O)C2)C1 ZINC001296033163 1064091441 /nfs/dbraw/zinc/09/14/41/1064091441.db2.gz KNSOTCPDKVKIJW-IFMALSPDSA-N 1 0 467.618 2.594 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296034681 1064093466 /nfs/dbraw/zinc/09/34/66/1064093466.db2.gz WXKZFGFHKZXSAH-ABSDTBQOSA-N 1 0 465.595 2.522 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 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CC[N@@H+]1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC001296073820 1064139532 /nfs/dbraw/zinc/13/95/32/1064139532.db2.gz LIGPTLCGOHSGHF-PXOZOSLHSA-N 1 0 472.659 2.820 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 ZINC001296074568 1064140892 /nfs/dbraw/zinc/14/08/92/1064140892.db2.gz LNIDGIOCOUMUQI-ZCNNSNEGSA-N 1 0 478.638 2.686 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001296074767 1064141429 /nfs/dbraw/zinc/14/14/29/1064141429.db2.gz XPDBKKDGDNXLCG-FGZHOGPDSA-N 1 0 473.710 2.874 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001291606509 1064142660 /nfs/dbraw/zinc/14/26/60/1064142660.db2.gz QPXKFQLIXSINPI-PZJWPPBQSA-N 1 0 468.650 2.877 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001296075980 1064143976 /nfs/dbraw/zinc/14/39/76/1064143976.db2.gz ZHIPXMBHBLLDEI-NRFANRHFSA-N 1 0 490.674 2.558 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 ZINC001296076516 1064144893 /nfs/dbraw/zinc/14/48/93/1064144893.db2.gz XKJKXBLXDRSLPY-QGZVFWFLSA-N 1 0 452.525 2.868 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001296076454 1064144919 /nfs/dbraw/zinc/14/49/19/1064144919.db2.gz XAKGJCWRWVGYBA-BURNTYAHSA-N 1 0 489.665 2.638 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296078919 1064145519 /nfs/dbraw/zinc/14/55/19/1064145519.db2.gz AIXYRWTTYUNQGM-PZJWPPBQSA-N 1 0 467.618 2.723 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001296078918 1064145557 /nfs/dbraw/zinc/14/55/57/1064145557.db2.gz AIXYRWTTYUNQGM-FPOVZHCZSA-N 1 0 467.618 2.723 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079361 1064146488 /nfs/dbraw/zinc/14/64/88/1064146488.db2.gz FRHFWFVCEKUBLJ-PMACEKPBSA-N 1 0 480.654 2.934 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001296079368 1064146524 /nfs/dbraw/zinc/14/65/24/1064146524.db2.gz FRHFWFVCEKUBLJ-UXHICEINSA-N 1 0 480.654 2.934 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001296079641 1064147270 /nfs/dbraw/zinc/14/72/70/1064147270.db2.gz HJTOLBUZAVBLSB-RBBKRZOGSA-N 1 0 459.683 2.845 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001296081054 1064148194 /nfs/dbraw/zinc/14/81/94/1064148194.db2.gz PRBVOQWYGCADNA-FBBABVLZSA-N 1 0 460.648 2.886 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001296081429 1064149337 /nfs/dbraw/zinc/14/93/37/1064149337.db2.gz UBZVWYUHDRXRJF-HKUYNNGSSA-N 1 0 450.591 2.910 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296083470 1064151235 /nfs/dbraw/zinc/15/12/35/1064151235.db2.gz FOEMZGLHFXIQFF-QZTJIDSGSA-N 1 0 456.595 2.713 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001296084700 1064151747 /nfs/dbraw/zinc/15/17/47/1064151747.db2.gz NYDLYVLBOQTYFU-NHCUHLMSSA-N 1 0 474.675 2.894 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001291617617 1064155005 /nfs/dbraw/zinc/15/50/05/1064155005.db2.gz BTGZLLRJSGCXMV-IBGZPJMESA-N 1 0 468.650 2.734 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296087632 1064156884 /nfs/dbraw/zinc/15/68/84/1064156884.db2.gz MPIXVSFLNBWLFX-NJDAHSKKSA-N 1 0 492.665 2.776 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001296088696 1064158805 /nfs/dbraw/zinc/15/88/05/1064158805.db2.gz VRKUWPRFVHJJMO-LJQANCHMSA-N 1 0 454.685 2.507 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001296088884 1064158959 /nfs/dbraw/zinc/15/89/59/1064158959.db2.gz NCEXELVNSTXOEP-PKOBYXMFSA-N 1 0 457.575 2.836 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN(C)c1ccccc1 ZINC001296088956 1064159558 /nfs/dbraw/zinc/15/95/58/1064159558.db2.gz WVUAHHYXIXTXHX-IRLDBZIGSA-N 1 0 474.675 2.627 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001296090327 1064162035 /nfs/dbraw/zinc/16/20/35/1064162035.db2.gz VHGDUIQHNHQZQR-IBGZPJMESA-N 1 0 464.636 2.581 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1CC[N@H+](CC)C(C)C ZINC001291621543 1064161953 /nfs/dbraw/zinc/16/19/53/1064161953.db2.gz VFCKPROPIPXXJU-MOPGFXCFSA-N 1 0 454.627 2.675 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(C)=O)nc1 ZINC001291622326 1064163260 /nfs/dbraw/zinc/16/32/60/1064163260.db2.gz VKKRWRFPFRJACY-ZWKOTPCHSA-N 1 0 455.607 2.883 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 ZINC001296092193 1064164105 /nfs/dbraw/zinc/16/41/05/1064164105.db2.gz GSIQXWOTUCJJGP-FCHUYYIVSA-N 1 0 453.635 2.879 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001296092080 1064164141 /nfs/dbraw/zinc/16/41/41/1064164141.db2.gz GBSWKMFHCAAIDK-UNMCSNQZSA-N 1 0 487.693 2.652 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001296092201 1064164608 /nfs/dbraw/zinc/16/46/08/1064164608.db2.gz GSIQXWOTUCJJGP-YADHBBJMSA-N 1 0 453.635 2.879 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095278 1064168381 /nfs/dbraw/zinc/16/83/81/1064168381.db2.gz GFNYVBVLVVFQGS-SLYNCCJLSA-N 1 0 476.647 2.849 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC001296097893 1064171193 /nfs/dbraw/zinc/17/11/93/1064171193.db2.gz TXVBKGHJGIZTIN-RTBURBONSA-N 1 0 474.610 2.938 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001296098407 1064171755 /nfs/dbraw/zinc/17/17/55/1064171755.db2.gz XMSUICQQFMISNA-FQEVSTJZSA-N 1 0 491.036 2.680 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291628836 1064172134 /nfs/dbraw/zinc/17/21/34/1064172134.db2.gz PMAKJFSEHBHAKR-PXDATVDWSA-N 1 0 491.750 2.754 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1CCC[N@H+](C)C(C)C ZINC001291630926 1064177254 /nfs/dbraw/zinc/17/72/54/1064177254.db2.gz WCERYVFXUCRWHY-LJQANCHMSA-N 1 0 486.690 2.914 20 0 JFADRO CCN1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC001296105871 1064184040 /nfs/dbraw/zinc/18/40/40/1064184040.db2.gz NAENMHQGWIMBJK-GOSISDBHSA-N 1 0 461.010 2.504 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001291637698 1064185198 /nfs/dbraw/zinc/18/51/98/1064185198.db2.gz BRBBHICQGQNWAE-AZUAARDMSA-N 1 0 488.599 2.603 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)n1C[C@H](C)[NH+](C)C ZINC001291638999 1064186492 /nfs/dbraw/zinc/18/64/92/1064186492.db2.gz LCJFEIOGMSMRAU-MSOLQXFVSA-N 1 0 452.607 2.713 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001291639051 1064186869 /nfs/dbraw/zinc/18/68/69/1064186869.db2.gz LFXHMJMKPFFHBJ-BHDDXSALSA-N 1 0 450.672 2.694 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(C)nc1 ZINC001291639699 1064188048 /nfs/dbraw/zinc/18/80/48/1064188048.db2.gz ODBMEQCSPRYSQD-NFBKMPQASA-N 1 0 455.651 2.775 20 0 JFADRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)c2)CC1 ZINC001291640193 1064189071 /nfs/dbraw/zinc/18/90/71/1064189071.db2.gz BBBBFBYEFJJQTL-QGZVFWFLSA-N 1 0 456.493 2.654 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H]1CCO[C@H](C)C1 ZINC001291640272 1064189438 /nfs/dbraw/zinc/18/94/38/1064189438.db2.gz QVFANMJFNDOIGH-WBADGQHESA-N 1 0 462.683 2.838 20 0 JFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O ZINC001291640484 1064190115 /nfs/dbraw/zinc/19/01/15/1064190115.db2.gz FMCKWCAQLXVXFS-OALUTQOASA-N 1 0 458.603 2.770 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001291643290 1064193808 /nfs/dbraw/zinc/19/38/08/1064193808.db2.gz GWXBCYCMJFHGOD-KRWDZBQOSA-N 1 0 495.719 2.942 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001291643161 1064193833 /nfs/dbraw/zinc/19/38/33/1064193833.db2.gz GLYIQPXBHAMFDC-LJQANCHMSA-N 1 0 484.736 2.625 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001291643325 1064194168 /nfs/dbraw/zinc/19/41/68/1064194168.db2.gz HEGGOLAJDHYPHG-AZUAARDMSA-N 1 0 452.669 2.670 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291643442 1064194540 /nfs/dbraw/zinc/19/45/40/1064194540.db2.gz PDVMRWKMZDGSGB-OTWHNJEPSA-N 1 0 476.588 2.602 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1CC(=O)NCC(F)(F)F ZINC001291643840 1064196010 /nfs/dbraw/zinc/19/60/10/1064196010.db2.gz RRTFWTUBIMKTAE-HNNXBMFYSA-N 1 0 458.554 2.896 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001291643907 1064196452 /nfs/dbraw/zinc/19/64/52/1064196452.db2.gz MABMNHDHBGAFPL-QYZOEREBSA-N 1 0 466.652 2.938 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001291644300 1064197421 /nfs/dbraw/zinc/19/74/21/1064197421.db2.gz WFRGQLDHDFEGBG-FNAHDJPLSA-N 1 0 480.723 2.611 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296118537 1064201042 /nfs/dbraw/zinc/20/10/42/1064201042.db2.gz DMRMYYRHRASQNO-HXUWFJFHSA-N 1 0 471.625 2.624 20 0 JFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)c1nc(N(C)C)ncc1Br ZINC001291646944 1064201281 /nfs/dbraw/zinc/20/12/81/1064201281.db2.gz VVOANMQEWRICBH-UHFFFAOYSA-N 1 0 450.381 2.956 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1=O ZINC001296119939 1064207137 /nfs/dbraw/zinc/20/71/37/1064207137.db2.gz IMYIPZJCDZLBLO-FQEVSTJZSA-N 1 0 488.608 2.556 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291655993 1064207349 /nfs/dbraw/zinc/20/73/49/1064207349.db2.gz JWPMTFOXXMSITF-CVDCTZTESA-N 1 0 459.639 2.512 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291655992 1064207384 /nfs/dbraw/zinc/20/73/84/1064207384.db2.gz JWPMTFOXXMSITF-AUSIDOKSSA-N 1 0 459.639 2.512 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296120077 1064207814 /nfs/dbraw/zinc/20/78/14/1064207814.db2.gz DJRZTKJWUAXVKU-HKUYNNGSSA-N 1 0 464.561 2.798 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccc(C)c3)CC2)CC1 ZINC001296120094 1064207832 /nfs/dbraw/zinc/20/78/32/1064207832.db2.gz DOYVIGJGHHSSAV-JOCHJYFZSA-N 1 0 496.704 2.832 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001296120131 1064208284 /nfs/dbraw/zinc/20/82/84/1064208284.db2.gz FGNDXUBEDXIDPO-KRWDZBQOSA-N 1 0 464.561 2.834 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296120336 1064209358 /nfs/dbraw/zinc/20/93/58/1064209358.db2.gz HNYITWJQNJBMIR-MZKRTTBSSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001296120544 1064210051 /nfs/dbraw/zinc/21/00/51/1064210051.db2.gz JGGDHSVYSJRWEX-WOJBJXKFSA-N 1 0 486.690 2.529 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120555 1064210490 /nfs/dbraw/zinc/21/04/90/1064210490.db2.gz JLEBYOQEMYQGTA-VXKWHMMOSA-N 1 0 467.662 2.917 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296120944 1064211653 /nfs/dbraw/zinc/21/16/53/1064211653.db2.gz LTTQKZGNAOWBQP-INIZCTEOSA-N 1 0 468.071 2.794 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296120946 1064211768 /nfs/dbraw/zinc/21/17/68/1064211768.db2.gz LTTQKZGNAOWBQP-MRXNPFEDSA-N 1 0 468.071 2.794 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001296122346 1064214576 /nfs/dbraw/zinc/21/45/76/1064214576.db2.gz VXNAINAMJUSWDV-MOPGFXCFSA-N 1 0 474.053 2.682 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001296122477 1064215029 /nfs/dbraw/zinc/21/50/29/1064215029.db2.gz WKWNVVMRFXTWFS-OAQYLSRUSA-N 1 0 454.667 2.750 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCC(OCCOC)CC2)CC1 ZINC001296123523 1064215880 /nfs/dbraw/zinc/21/58/80/1064215880.db2.gz APPIIWNETRVDIX-OAQYLSRUSA-N 1 0 456.635 2.603 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N2CCOCC2)CC1 ZINC001296123815 1064216229 /nfs/dbraw/zinc/21/62/29/1064216229.db2.gz CIHMRKVLGVCDHI-KRWDZBQOSA-N 1 0 463.424 2.570 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291680827 1064216637 /nfs/dbraw/zinc/21/66/37/1064216637.db2.gz HUTRITYCAXLKBI-LJQANCHMSA-N 1 0 450.697 2.920 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001296125571 1064219650 /nfs/dbraw/zinc/21/96/50/1064219650.db2.gz MUSHGNSEPDCKJD-MJGOQNOKSA-N 1 0 462.042 2.881 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc4c(c3)OCO4)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001296126429 1064220490 /nfs/dbraw/zinc/22/04/90/1064220490.db2.gz PZVFKKQGCYRESS-LJQANCHMSA-N 1 0 472.634 2.951 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296126848 1064220747 /nfs/dbraw/zinc/22/07/47/1064220747.db2.gz RYJIXMIUSMDOAF-MIZPHKNDSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129854 1064223252 /nfs/dbraw/zinc/22/32/52/1064223252.db2.gz BZNVUJPIVSYGSX-IRLDBZIGSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296129956 1064223271 /nfs/dbraw/zinc/22/32/71/1064223271.db2.gz CZVULFFXBLVDHK-RTBURBONSA-N 1 0 461.655 2.627 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(Oc3cncc(Cl)n3)CC2)CC1 ZINC001296130717 1064224206 /nfs/dbraw/zinc/22/42/06/1064224206.db2.gz GGBKBTWZAUOMGN-IBGZPJMESA-N 1 0 491.084 2.994 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296130994 1064224442 /nfs/dbraw/zinc/22/44/42/1064224442.db2.gz HOFWLIZMYAADSC-LJQANCHMSA-N 1 0 496.050 2.935 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC001296131185 1064224995 /nfs/dbraw/zinc/22/49/95/1064224995.db2.gz HZBKQZPBYQEOET-MOPGFXCFSA-N 1 0 488.633 2.602 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)CC1 ZINC001296131212 1064225127 /nfs/dbraw/zinc/22/51/27/1064225127.db2.gz IMKGYFRTGREJPJ-YADHBBJMSA-N 1 0 492.672 2.955 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296131351 1064225471 /nfs/dbraw/zinc/22/54/71/1064225471.db2.gz JKDXLXBANAYMBN-ROUUACIJSA-N 1 0 467.456 2.687 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296131755 1064226929 /nfs/dbraw/zinc/22/69/29/1064226929.db2.gz MVRRXGZOIZGCRM-KBMIEXCESA-N 1 0 488.080 2.511 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296131756 1064227083 /nfs/dbraw/zinc/22/70/83/1064227083.db2.gz MVRRXGZOIZGCRM-UQBPGWFLSA-N 1 0 488.080 2.511 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001296132005 1064228024 /nfs/dbraw/zinc/22/80/24/1064228024.db2.gz PVHHWNNGXVDBFT-PZJWPPBQSA-N 1 0 475.707 2.913 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296132097 1064228312 /nfs/dbraw/zinc/22/83/12/1064228312.db2.gz QXKCWYGJIZHFTN-KZNAEPCWSA-N 1 0 463.721 2.990 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296132088 1064228402 /nfs/dbraw/zinc/22/84/02/1064228402.db2.gz QXKCWYGJIZHFTN-KURKYZTESA-N 1 0 463.721 2.990 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296132195 1064228699 /nfs/dbraw/zinc/22/86/99/1064228699.db2.gz RRENDOGSKXCBAL-MRXNPFEDSA-N 1 0 492.097 2.683 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1 ZINC001296132217 1064228843 /nfs/dbraw/zinc/22/88/43/1064228843.db2.gz PSAWOOKZAUQXGK-JPYJTQIMSA-N 1 0 495.594 2.896 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132350 1064229803 /nfs/dbraw/zinc/22/98/03/1064229803.db2.gz SMXPGNKXZKPYRG-NLFFAJNJSA-N 1 0 462.683 2.667 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001296132434 1064229829 /nfs/dbraw/zinc/22/98/29/1064229829.db2.gz UDDJICTYQNFPDO-IRLDBZIGSA-N 1 0 455.651 2.541 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CC(C)(OC)C2)CC1 ZINC001296132602 1064230755 /nfs/dbraw/zinc/23/07/55/1064230755.db2.gz BWSQXTGYERDSDG-OAQYLSRUSA-N 1 0 456.635 2.725 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296133581 1064234011 /nfs/dbraw/zinc/23/40/11/1064234011.db2.gz JBPJPTNZABPUDU-RBUKOAKNSA-N 1 0 463.026 2.762 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296133625 1064234489 /nfs/dbraw/zinc/23/44/89/1064234489.db2.gz JXVJOJNIHMPFQH-RBUKOAKNSA-N 1 0 489.615 2.902 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001291754937 1064236956 /nfs/dbraw/zinc/23/69/56/1064236956.db2.gz YMUZNKKBEVGSCZ-OALUTQOASA-N 1 0 474.679 2.584 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CC[C@H](C)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296135001 1064237959 /nfs/dbraw/zinc/23/79/59/1064237959.db2.gz UMOKBNASRWIWMT-VRIJDZSUSA-N 1 0 462.683 2.827 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2F)CC1 ZINC001291758713 1064238610 /nfs/dbraw/zinc/23/86/10/1064238610.db2.gz BTYJLIOAUKCBID-QGZVFWFLSA-N 1 0 463.577 2.751 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)Cc3ccco3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296135218 1064238806 /nfs/dbraw/zinc/23/88/06/1064238806.db2.gz XKCYAJFOAPBAEE-GBXCKJPGSA-N 1 0 460.623 2.574 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001291758805 1064238917 /nfs/dbraw/zinc/23/89/17/1064238917.db2.gz BIZTVQIAFMTQIQ-VKJFTORMSA-N 1 0 453.429 2.984 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291759419 1064239336 /nfs/dbraw/zinc/23/93/36/1064239336.db2.gz DYIDNKMNKXETLV-ZRCGQRJVSA-N 1 0 456.635 2.841 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001291759657 1064239714 /nfs/dbraw/zinc/23/97/14/1064239714.db2.gz HKLMRMIFYQWSDD-MSOLQXFVSA-N 1 0 488.633 2.758 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001296135519 1064240013 /nfs/dbraw/zinc/24/00/13/1064240013.db2.gz ZZJDFMWESQKURN-OAQYLSRUSA-N 1 0 472.682 2.560 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291759871 1064240484 /nfs/dbraw/zinc/24/04/84/1064240484.db2.gz LOMAMUBLJPILIU-ROUUACIJSA-N 1 0 465.643 2.592 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001296135792 1064240551 /nfs/dbraw/zinc/24/05/51/1064240551.db2.gz CCVIIKAMXXFKHN-FUHWJXTLSA-N 1 0 484.571 2.544 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4cccc(C)n4)nnc3N(C)CCCOC)cn2)CC1 ZINC001296136174 1064240945 /nfs/dbraw/zinc/24/09/45/1064240945.db2.gz FSCQVZKQHMTWBE-UHFFFAOYSA-N 1 0 464.618 2.706 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001296136135 1064240965 /nfs/dbraw/zinc/24/09/65/1064240965.db2.gz DIKAOQUHADBSCK-INIZCTEOSA-N 1 0 481.523 2.537 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001291760763 1064241803 /nfs/dbraw/zinc/24/18/03/1064241803.db2.gz NOXIWWDZHSMIEA-QGZVFWFLSA-N 1 0 471.009 2.916 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@H]1C ZINC001296136709 1064242149 /nfs/dbraw/zinc/24/21/49/1064242149.db2.gz KJWNYYIWYNVQKZ-HXOBKFHXSA-N 1 0 461.010 2.606 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccn(-c3ccc(F)cc3)n2)C[C@H]1C ZINC001296136667 1064242176 /nfs/dbraw/zinc/24/21/76/1064242176.db2.gz KBYQPHCZQVXFNB-GOSISDBHSA-N 1 0 468.581 2.514 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001291760863 1064242323 /nfs/dbraw/zinc/24/23/23/1064242323.db2.gz OGZCCOBQANBVND-BBTUJRGHSA-N 1 0 463.648 2.940 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296136796 1064242674 /nfs/dbraw/zinc/24/26/74/1064242674.db2.gz LJPJMHLTRIGDJR-FDFHNCONSA-N 1 0 489.709 2.534 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296137443 1064243261 /nfs/dbraw/zinc/24/32/61/1064243261.db2.gz OQSLYMODFXXJAF-OALUTQOASA-N 1 0 489.665 2.736 20 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JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001296167009 1064288622 /nfs/dbraw/zinc/28/86/22/1064288622.db2.gz PQPRZIQCAJOJSG-IBGZPJMESA-N 1 0 483.617 2.744 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(Br)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001296166758 1064288646 /nfs/dbraw/zinc/28/86/46/1064288646.db2.gz PLIXHYNZGKTQOC-OAHLLOKOSA-N 1 0 489.422 2.819 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001296172205 1064294184 /nfs/dbraw/zinc/29/41/84/1064294184.db2.gz XRLLHRSVTAFFHH-QGZVFWFLSA-N 1 0 459.664 2.955 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173528 1064296328 /nfs/dbraw/zinc/29/63/28/1064296328.db2.gz JHGHGCYEQXUZLO-PWRODBHTSA-N 1 0 462.683 2.838 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NCc4ccc(Cl)cc4)n3CC(F)(F)F)C2)CC1 ZINC001296174774 1064302832 /nfs/dbraw/zinc/30/28/32/1064302832.db2.gz TZAROVHQYGJBAL-GOSISDBHSA-N 1 0 499.969 2.640 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001296175052 1064303616 /nfs/dbraw/zinc/30/36/16/1064303616.db2.gz VMKYAAXNWBMHCY-GBESFXJTSA-N 1 0 491.681 2.884 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCCC(C)(C)C)C2)CC1 ZINC001296175472 1064304819 /nfs/dbraw/zinc/30/48/19/1064304819.db2.gz YQTOPUJQNLKWSH-FQEVSTJZSA-N 1 0 468.650 2.968 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(OC(F)F)c4)n3CC[S@](=O)CC)C2)CC1 ZINC001296178544 1064305715 /nfs/dbraw/zinc/30/57/15/1064305715.db2.gz ACFBXAWDRVCVIV-GPWHBBDMSA-N 1 0 496.628 2.531 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc([C@]4(OC(C)C)CCOC4)n3CC(C)(C)SC)C2)CC1 ZINC001296178943 1064306988 /nfs/dbraw/zinc/30/69/88/1064306988.db2.gz CPZWLYCHIKIPQR-RDPSFJRHSA-N 1 0 480.723 2.677 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291797563 1064306997 /nfs/dbraw/zinc/30/69/97/1064306997.db2.gz XUCQXXJQXIQYBX-UNMCSNQZSA-N 1 0 481.645 2.530 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCC(C)(F)F)C2)CC1 ZINC001296178990 1064307654 /nfs/dbraw/zinc/30/76/54/1064307654.db2.gz CYPYQLNPZQEEAR-IBGZPJMESA-N 1 0 496.628 2.610 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001291802816 1064313140 /nfs/dbraw/zinc/31/31/40/1064313140.db2.gz FQXPCZSYGOJEIP-UXHICEINSA-N 1 0 479.629 2.955 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001291802817 1064313194 /nfs/dbraw/zinc/31/31/94/1064313194.db2.gz FQXPCZSYGOJEIP-VQTJNVASSA-N 1 0 479.629 2.955 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)C)C2)CC1 ZINC001296181124 1064313483 /nfs/dbraw/zinc/31/34/83/1064313483.db2.gz VKUHNVGRZLMANQ-QGZVFWFLSA-N 1 0 450.429 2.908 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](C)[NH+](C)C)CC2)C1=O ZINC001296181486 1064315553 /nfs/dbraw/zinc/31/55/53/1064315553.db2.gz YSQSDRWJCSSSTD-INIZCTEOSA-N 1 0 461.014 2.670 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC001296181962 1064320543 /nfs/dbraw/zinc/32/05/43/1064320543.db2.gz IJKKPEUIOQMTKM-ISKFKSNPSA-N 1 0 481.689 2.992 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3cccc(C)c3)C2)CC1 ZINC001296181963 1064320622 /nfs/dbraw/zinc/32/06/22/1064320622.db2.gz IJKKPEUIOQMTKM-LADGPHEKSA-N 1 0 481.689 2.992 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4ccc(C)cc4)n3CC(C)(C)OC)C2)CC1 ZINC001296181948 1064320710 /nfs/dbraw/zinc/32/07/10/1064320710.db2.gz HZMIRGREUMJHDR-OAQYLSRUSA-N 1 0 456.635 2.807 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCSCC(F)(F)F)C2)CC1 ZINC001296182260 1064322374 /nfs/dbraw/zinc/32/23/74/1064322374.db2.gz PTAKSEZBIOEHCO-LJQANCHMSA-N 1 0 483.608 2.776 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296182360 1064322488 /nfs/dbraw/zinc/32/24/88/1064322488.db2.gz QSDAIWYBLOLOHC-JYFHCDHNSA-N 1 0 454.663 2.687 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(F)(F)F)C2)CC1 ZINC001296182391 1064323296 /nfs/dbraw/zinc/32/32/96/1064323296.db2.gz RQYSYMMRSHFMJI-SFHVURJKSA-N 1 0 452.525 2.944 20 0 JFADRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)CC1 ZINC001296182788 1064324657 /nfs/dbraw/zinc/32/46/57/1064324657.db2.gz JILJQIPDEBEWRA-UHFFFAOYSA-N 1 0 458.672 2.891 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001296182880 1064325275 /nfs/dbraw/zinc/32/52/75/1064325275.db2.gz ALKAOAQHQOCAHV-CVDCTZTESA-N 1 0 488.080 2.977 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@H](C)COC)C2)CC1 ZINC001296182992 1064326197 /nfs/dbraw/zinc/32/61/97/1064326197.db2.gz XJQHYVHXWYFYFU-REWPJTCUSA-N 1 0 470.662 2.973 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001291806043 1064326548 /nfs/dbraw/zinc/32/65/48/1064326548.db2.gz YRFAFVDLSVZWDT-BZSNNMDCSA-N 1 0 456.591 2.898 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296184993 1064333125 /nfs/dbraw/zinc/33/31/25/1064333125.db2.gz NDANNLZCMZZUGZ-QFIPXVFZSA-N 1 0 497.688 2.532 20 0 JFADRO CC[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001296188623 1064335513 /nfs/dbraw/zinc/33/55/13/1064335513.db2.gz NAHDLBIOSCBOCU-JOCHJYFZSA-N 1 0 457.596 2.681 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296190752 1064340373 /nfs/dbraw/zinc/34/03/73/1064340373.db2.gz FFKXBJODWLHZJK-YYDVJCTNSA-N 1 0 476.616 2.628 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(Cc3cnc(C)s3)CC2)CC1 ZINC001296191622 1064342640 /nfs/dbraw/zinc/34/26/40/1064342640.db2.gz KRIVFLUPDOMLOD-NRFANRHFSA-N 1 0 488.750 2.837 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296191606 1064342668 /nfs/dbraw/zinc/34/26/68/1064342668.db2.gz KEBKARGLMFEBNW-FQEVSTJZSA-N 1 0 464.699 2.976 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291814985 1064343332 /nfs/dbraw/zinc/34/33/32/1064343332.db2.gz BDQXSWYCRJPCJL-JOCHJYFZSA-N 1 0 492.672 2.928 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001296192315 1064344598 /nfs/dbraw/zinc/34/45/98/1064344598.db2.gz FCMZGDLVUFQSJL-RBBKRZOGSA-N 1 0 467.662 2.619 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001296192375 1064345428 /nfs/dbraw/zinc/34/54/28/1064345428.db2.gz DMYJLHJFARBBEM-GOSISDBHSA-N 1 0 471.679 2.506 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(OC)c(C)c2)CC1 ZINC001296192347 1064345500 /nfs/dbraw/zinc/34/55/00/1064345500.db2.gz FHHAVSGOTKPFAY-FQEVSTJZSA-N 1 0 478.645 2.962 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296192529 1064345984 /nfs/dbraw/zinc/34/59/84/1064345984.db2.gz FVYWOMRLGYJBQU-NBGIEHNGSA-N 1 0 455.651 2.927 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296192525 1064346020 /nfs/dbraw/zinc/34/60/20/1064346020.db2.gz FVYWOMRLGYJBQU-CPJSRVTESA-N 1 0 455.651 2.927 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192769 1064346729 /nfs/dbraw/zinc/34/67/29/1064346729.db2.gz NQPJNKRVJXPNBR-RBBKRZOGSA-N 1 0 456.635 2.701 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)CC1 ZINC001296192655 1064346763 /nfs/dbraw/zinc/34/67/63/1064346763.db2.gz GGALNXXMKLUGHL-NRFANRHFSA-N 1 0 497.688 2.517 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001296192601 1064346880 /nfs/dbraw/zinc/34/68/80/1064346880.db2.gz GBXDAKBTFWHIIS-RBBKRZOGSA-N 1 0 485.652 2.662 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001291817227 1064348094 /nfs/dbraw/zinc/34/80/94/1064348094.db2.gz GPOINYAGCCZVDR-RBUKOAKNSA-N 1 0 490.599 2.610 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193180 1064348794 /nfs/dbraw/zinc/34/87/94/1064348794.db2.gz HVOVGNZPDRLRSU-FGZHOGPDSA-N 1 0 475.726 2.838 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296193397 1064350196 /nfs/dbraw/zinc/35/01/96/1064350196.db2.gz IRPCQWARIXARDH-NLWGTHIKSA-N 1 0 481.567 2.770 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193705 1064351102 /nfs/dbraw/zinc/35/11/02/1064351102.db2.gz PEGUDNNKFUMLNZ-IFMALSPDSA-N 1 0 489.709 2.998 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001291818264 1064353962 /nfs/dbraw/zinc/35/39/62/1064353962.db2.gz SLNQBOSANSCABJ-IRLDBZIGSA-N 1 0 453.635 2.881 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](OC)C2)CC1 ZINC001296194128 1064354482 /nfs/dbraw/zinc/35/44/82/1064354482.db2.gz LSYWRIARCCTCLM-RBBKRZOGSA-N 1 0 486.661 2.851 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194373 1064355359 /nfs/dbraw/zinc/35/53/59/1064355359.db2.gz RORSAPRWGQUEJT-DEOSSOPVSA-N 1 0 495.716 2.642 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194438 1064355991 /nfs/dbraw/zinc/35/59/91/1064355991.db2.gz SKIKHCXBMABKOY-ICSRJNTNSA-N 1 0 461.680 2.847 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296194765 1064357492 /nfs/dbraw/zinc/35/74/92/1064357492.db2.gz FSAUJMKTVJNZSJ-IEBWSBKVSA-N 1 0 469.556 2.847 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296194763 1064357614 /nfs/dbraw/zinc/35/76/14/1064357614.db2.gz FSAUJMKTVJNZSJ-HKUYNNGSSA-N 1 0 469.556 2.847 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001296195365 1064361116 /nfs/dbraw/zinc/36/11/16/1064361116.db2.gz IJFXODDDAHURCG-LJQANCHMSA-N 1 0 468.572 2.875 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296195657 1064362464 /nfs/dbraw/zinc/36/24/64/1064362464.db2.gz WXOUFXQWNGEUDP-QRVBRYPASA-N 1 0 461.680 2.521 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001296195733 1064363290 /nfs/dbraw/zinc/36/32/90/1064363290.db2.gz QXKMZDZMRPVQGG-QZTJIDSGSA-N 1 0 466.556 2.787 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001296195734 1064363509 /nfs/dbraw/zinc/36/35/09/1064363509.db2.gz QXKMZDZMRPVQGG-ROUUACIJSA-N 1 0 466.556 2.787 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001291822764 1064365987 /nfs/dbraw/zinc/36/59/87/1064365987.db2.gz NQHRKMUWDVCAPR-VXKWHMMOSA-N 1 0 487.693 2.798 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3ccccc3C)C2)CC1 ZINC001296196381 1064366310 /nfs/dbraw/zinc/36/63/10/1064366310.db2.gz SLNFNKNGYXCEHN-XMMPIXPASA-N 1 0 497.688 2.720 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(CC(F)(F)C(F)F)CC2)CC1 ZINC001296196605 1064367884 /nfs/dbraw/zinc/36/78/84/1064367884.db2.gz VIMTWWMSTMTGIO-GOSISDBHSA-N 1 0 489.606 2.842 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296197000 1064371828 /nfs/dbraw/zinc/37/18/28/1064371828.db2.gz WPMCWIFZCMVKQF-NFBKMPQASA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296197001 1064372055 /nfs/dbraw/zinc/37/20/55/1064372055.db2.gz WPMCWIFZCMVKQF-NZQKXSOJSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(C)(OC)C2)CC1 ZINC001296197069 1064372710 /nfs/dbraw/zinc/37/27/10/1064372710.db2.gz SKURVORWVFTIID-UHFFFAOYSA-N 1 0 480.455 2.679 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296197491 1064374598 /nfs/dbraw/zinc/37/45/98/1064374598.db2.gz XQONCRLQCZDGQW-UHFFFAOYSA-N 1 0 485.677 2.959 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296202219 1064377156 /nfs/dbraw/zinc/37/71/56/1064377156.db2.gz GLDBLYJJSVZZCR-FQEVSTJZSA-N 1 0 460.598 2.639 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001296202128 1064377184 /nfs/dbraw/zinc/37/71/84/1064377184.db2.gz FBEPQIJWWVPBSG-OAQYLSRUSA-N 1 0 482.739 2.688 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC001296202223 1064377740 /nfs/dbraw/zinc/37/77/40/1064377740.db2.gz BHOFXOYAEMNPJG-SFHVURJKSA-N 1 0 454.545 2.671 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296202984 1064379836 /nfs/dbraw/zinc/37/98/36/1064379836.db2.gz JVTVYWDRTXRUMI-UHFFFAOYSA-N 1 0 488.080 2.609 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001296203645 1064382042 /nfs/dbraw/zinc/38/20/42/1064382042.db2.gz MOLGDVYZVDZBBC-CMOCDZPBSA-N 1 0 480.723 2.750 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296203542 1064382103 /nfs/dbraw/zinc/38/21/03/1064382103.db2.gz AWHLSKHUWRJVFQ-TZIWHRDSSA-N 1 0 492.665 2.544 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N2CCC=C(Br)C2)CC1 ZINC001296203550 1064382223 /nfs/dbraw/zinc/38/22/23/1064382223.db2.gz BAIDIKCQNMNRHR-UHFFFAOYSA-N 1 0 462.440 2.800 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203840 1064383489 /nfs/dbraw/zinc/38/34/89/1064383489.db2.gz PUZIXHZKBKYSNQ-NRFANRHFSA-N 1 0 475.588 2.562 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)CC1 ZINC001296204057 1064384921 /nfs/dbraw/zinc/38/49/21/1064384921.db2.gz QJODVSQUXLWRSS-CYFREDJKSA-N 1 0 461.655 2.533 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001291829445 1064386369 /nfs/dbraw/zinc/38/63/69/1064386369.db2.gz MQFIKLWWMLRGCB-RTWAWAEBSA-N 1 0 471.650 2.868 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001291829512 1064387014 /nfs/dbraw/zinc/38/70/14/1064387014.db2.gz NEOZEDYNYJUTNE-FQEVSTJZSA-N 1 0 461.699 2.734 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cnccn3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001296204831 1064387872 /nfs/dbraw/zinc/38/78/72/1064387872.db2.gz MENGHEMJXIZENF-UHFFFAOYSA-N 1 0 452.582 2.581 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC001296205026 1064388736 /nfs/dbraw/zinc/38/87/36/1064388736.db2.gz QUPHCMDYVCYLPG-BKSPAHHJSA-N 1 0 462.683 2.667 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccsc3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001296205152 1064389564 /nfs/dbraw/zinc/38/95/64/1064389564.db2.gz XSHRPWCOUYGEPP-UHFFFAOYSA-N 1 0 487.718 2.795 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001291830727 1064390070 /nfs/dbraw/zinc/39/00/70/1064390070.db2.gz XMWRTMMAHSEUFZ-LEWJYISDSA-N 1 0 461.699 2.734 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CCC(C)(COC)CC2)CC1 ZINC001296205279 1064390108 /nfs/dbraw/zinc/39/01/08/1064390108.db2.gz ROOXYZCIEDIZRU-UHFFFAOYSA-N 1 0 455.651 2.929 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001291831119 1064391499 /nfs/dbraw/zinc/39/14/99/1064391499.db2.gz ZPKZEPZVSNSCEG-IRLDBZIGSA-N 1 0 469.678 2.915 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205568 1064392031 /nfs/dbraw/zinc/39/20/31/1064392031.db2.gz WPAAZGRLZPGGLA-WIYYLYMNSA-N 1 0 457.598 2.593 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001296206308 1064394720 /nfs/dbraw/zinc/39/47/20/1064394720.db2.gz NBEPLWNVFVCWOS-JOCHJYFZSA-N 1 0 481.689 2.972 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832087 1064395084 /nfs/dbraw/zinc/39/50/84/1064395084.db2.gz FVYFXUSGQLWIBW-YADHBBJMSA-N 1 0 496.704 2.887 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296206372 1064395330 /nfs/dbraw/zinc/39/53/30/1064395330.db2.gz OUSWXDDIJDDYAS-UHFFFAOYSA-N 1 0 476.025 2.515 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296207606 1064398805 /nfs/dbraw/zinc/39/88/05/1064398805.db2.gz ZHLFAYFJRAPQAF-HXUWFJFHSA-N 1 0 472.634 2.605 20 0 JFADRO C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)c1 ZINC001296210254 1064400093 /nfs/dbraw/zinc/40/00/93/1064400093.db2.gz PXBDCBPVPZFCDT-UHFFFAOYSA-N 1 0 456.524 2.624 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCCN(c3ncccc3F)CC2)CC1 ZINC001296210062 1064400186 /nfs/dbraw/zinc/40/01/86/1064400186.db2.gz CXULTHYJVJGUIY-UHFFFAOYSA-N 1 0 472.657 2.755 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001291833431 1064400998 /nfs/dbraw/zinc/40/09/98/1064400998.db2.gz LGGIIHHZTQUUQQ-JOCHJYFZSA-N 1 0 467.662 2.858 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3F)CC2)CC1 ZINC001296211701 1064402607 /nfs/dbraw/zinc/40/26/07/1064402607.db2.gz ONZWAVYUOOENSX-UHFFFAOYSA-N 1 0 472.657 2.755 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001291833650 1064402647 /nfs/dbraw/zinc/40/26/47/1064402647.db2.gz NHOYFBRIPRXWPC-WOJBJXKFSA-N 1 0 471.650 2.615 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC001296212380 1064403529 /nfs/dbraw/zinc/40/35/29/1064403529.db2.gz XQTLHZKHZHDYRY-FQEVSTJZSA-N 1 0 458.655 2.970 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296212394 1064403781 /nfs/dbraw/zinc/40/37/81/1064403781.db2.gz YBHVNOVLAITKGP-OAQYLSRUSA-N 1 0 456.635 2.520 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2ccccc2F)CC1 ZINC001296212290 1064403803 /nfs/dbraw/zinc/40/38/03/1064403803.db2.gz WNRIPQBAQTYXNI-UHFFFAOYSA-N 1 0 468.625 2.943 20 0 JFADRO CCn1nc(-c2nnc(N(C)C[C@H]3CCCCO3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296213198 1064407069 /nfs/dbraw/zinc/40/70/69/1064407069.db2.gz BALLNHMWWMZATQ-ZWKOTPCHSA-N 1 0 453.591 2.630 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291836206 1064416570 /nfs/dbraw/zinc/41/65/70/1064416570.db2.gz MVXOSIILZYHVBE-JTHBVZDNSA-N 1 0 496.704 2.806 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001296216049 1064421671 /nfs/dbraw/zinc/42/16/71/1064421671.db2.gz YYZQTEHYHCNGPM-FQEVSTJZSA-N 1 0 463.026 2.763 20 0 JFADRO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)c2ccccc2c1=O ZINC001296216056 1064422363 /nfs/dbraw/zinc/42/23/63/1064422363.db2.gz ZGCNZQOPLTZXBD-SFHVURJKSA-N 1 0 494.644 2.510 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2CC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296216563 1064424364 /nfs/dbraw/zinc/42/43/64/1064424364.db2.gz PNIUPMJGVUROGZ-HDICACEKSA-N 1 0 485.658 2.583 20 0 JFADRO CC[C@@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291839866 1064434934 /nfs/dbraw/zinc/43/49/34/1064434934.db2.gz NTDZUXDZRHLELQ-SHZLTDHESA-N 1 0 468.646 2.770 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291839997 1064435839 /nfs/dbraw/zinc/43/58/39/1064435839.db2.gz OQLFCVHHCOBCGQ-FDFHNCONSA-N 1 0 489.709 2.677 20 0 JFADRO CCn1nc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCCOC)c2ccccc2c1=O ZINC001296222827 1064447141 /nfs/dbraw/zinc/44/71/41/1064447141.db2.gz YVAHUVFCJIMNHZ-UHFFFAOYSA-N 1 0 467.618 2.880 20 0 JFADRO CC[C@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC001291843624 1064449933 /nfs/dbraw/zinc/44/99/33/1064449933.db2.gz CKOJVYUEPPTFLJ-UNMCSNQZSA-N 1 0 454.619 2.599 20 0 JFADRO CC[C@H](c1nnc(N(C)C[C@@H](C)C(=O)NC)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291844781 1064449976 /nfs/dbraw/zinc/44/99/76/1064449976.db2.gz JEUUZJCUALBDBR-IRLDBZIGSA-N 1 0 470.662 2.874 20 0 JFADRO CC[C@@H](c1nnc(N(C)C[C@H](C)C(=O)NC)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291844783 1064450874 /nfs/dbraw/zinc/45/08/74/1064450874.db2.gz JEUUZJCUALBDBR-RBBKRZOGSA-N 1 0 470.662 2.874 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291858335 1064466970 /nfs/dbraw/zinc/46/69/70/1064466970.db2.gz SBHFAJZDVBZTGO-DRMXPCRNSA-N 1 0 456.660 2.924 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859014 1064467796 /nfs/dbraw/zinc/46/77/96/1064467796.db2.gz DUTJDKAYBCOUCH-ILWGZMRPSA-N 1 0 475.659 2.554 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859013 1064467855 /nfs/dbraw/zinc/46/78/55/1064467855.db2.gz DUTJDKAYBCOUCH-CEMLEFRQSA-N 1 0 475.659 2.554 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](C(C)C)CC1 ZINC001296231864 1064467989 /nfs/dbraw/zinc/46/79/89/1064467989.db2.gz KWVHRYVQJMWYQB-UHFFFAOYSA-N 1 0 458.607 2.655 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001296232257 1064469616 /nfs/dbraw/zinc/46/96/16/1064469616.db2.gz BOVNHAAYCYRTET-HXUWFJFHSA-N 1 0 484.645 2.665 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291862175 1064471612 /nfs/dbraw/zinc/47/16/12/1064471612.db2.gz IPKRSGIMTJAVSU-DHIUTWEWSA-N 1 0 468.646 2.629 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC001291882637 1064504875 /nfs/dbraw/zinc/50/48/75/1064504875.db2.gz VJOQEDIAGCUMAY-RPWUZVMVSA-N 1 0 468.646 2.725 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291887944 1064510186 /nfs/dbraw/zinc/51/01/86/1064510186.db2.gz LJEUOCFPGBSCOV-PUHATCMVSA-N 1 0 467.662 2.548 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(C)=O)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291888351 1064511519 /nfs/dbraw/zinc/51/15/19/1064511519.db2.gz RRJYKTZJQKJGEZ-RPWUZVMVSA-N 1 0 468.646 2.725 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001296250283 1064513005 /nfs/dbraw/zinc/51/30/05/1064513005.db2.gz VNCMKLKFWCTTMU-IBGZPJMESA-N 1 0 470.618 2.703 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC001291889225 1064514149 /nfs/dbraw/zinc/51/41/49/1064514149.db2.gz ZXNXGECHGXRWIU-RCZVLFRGSA-N 1 0 481.689 2.762 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(N2CCC[N@H+](Cc3ccccc3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001296252211 1064515900 /nfs/dbraw/zinc/51/59/00/1064515900.db2.gz YOGUZASTYKRPMR-MHZLTWQESA-N 1 0 498.672 2.805 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C3CCC3)CC2)n1CCS(=O)(=O)NC(C)C)c1ccccc1 ZINC001291890672 1064516247 /nfs/dbraw/zinc/51/62/47/1064516247.db2.gz CQZNIMVUFKPWKB-QFIPXVFZSA-N 1 0 474.675 2.822 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001296255526 1064517743 /nfs/dbraw/zinc/51/77/43/1064517743.db2.gz NHDKISDKBOFYSB-GOTSBHOMSA-N 1 0 498.672 2.795 20 0 JFADRO CC[C@H](c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001291891517 1064517877 /nfs/dbraw/zinc/51/78/77/1064517877.db2.gz BBQGSUWZZZMWPJ-LEWJYISDSA-N 1 0 486.642 2.798 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CCc1n[nH]c(C)n1)c1ccccc1 ZINC001291892511 1064518950 /nfs/dbraw/zinc/51/89/50/1064518950.db2.gz GCBRNVCUWKSCBB-GHTZIAJQSA-N 1 0 452.607 2.646 20 0 JFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1 ZINC001296257286 1064522557 /nfs/dbraw/zinc/52/25/57/1064522557.db2.gz KCPDTPOAYJZABG-UHFFFAOYSA-N 1 0 455.939 2.508 20 0 JFADRO COc1ccc(CN2C[C@@H](C(=O)Nc3cccc4c3CC[N@H+](CC(C)(C)O)C4)CC2=O)cc1 ZINC001296258378 1064523967 /nfs/dbraw/zinc/52/39/67/1064523967.db2.gz QOXNFNHJCCMPNG-FQEVSTJZSA-N 1 0 451.567 2.811 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895908 1064527620 /nfs/dbraw/zinc/52/76/20/1064527620.db2.gz ZKNXOLDYYPRKOG-MJGOQNOKSA-N 1 0 482.551 2.655 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291897039 1064528201 /nfs/dbraw/zinc/52/82/01/1064528201.db2.gz AFDUEPJPWBULKH-DNVJHFABSA-N 1 0 454.619 2.646 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001291897096 1064528448 /nfs/dbraw/zinc/52/84/48/1064528448.db2.gz AQIKMZAIZMDTQW-OVSMBABESA-N 1 0 498.672 2.661 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001291897095 1064528535 /nfs/dbraw/zinc/52/85/35/1064528535.db2.gz AQIKMZAIZMDTQW-KXTAGPOFSA-N 1 0 498.672 2.661 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC001296267400 1064533837 /nfs/dbraw/zinc/53/38/37/1064533837.db2.gz JPKVYERCIFUVOO-HXUWFJFHSA-N 1 0 454.548 2.750 20 0 JFADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC001291904331 1064534689 /nfs/dbraw/zinc/53/46/89/1064534689.db2.gz ORBIHTTWZUERLB-PSWRPDDJSA-N 1 0 455.603 2.665 20 0 JFADRO CC[C@@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904469 1064535228 /nfs/dbraw/zinc/53/52/28/1064535228.db2.gz PRMZDBDXYXLHRG-AZOUXBGGSA-N 1 0 482.673 2.970 20 0 JFADRO CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1)SC ZINC001291912747 1064538723 /nfs/dbraw/zinc/53/87/23/1064538723.db2.gz SFCVTTXUAGGTNG-KRWDZBQOSA-N 1 0 472.725 2.875 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)c1 ZINC001296280446 1064550999 /nfs/dbraw/zinc/55/09/99/1064550999.db2.gz QVGBMWACRSAELH-HXUWFJFHSA-N 1 0 464.618 2.645 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)OC ZINC001291940746 1064556389 /nfs/dbraw/zinc/55/63/89/1064556389.db2.gz ISFJGDQUFPALJU-KSEOMHKRSA-N 1 0 476.666 2.714 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(COCC)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC001296284297 1064556723 /nfs/dbraw/zinc/55/67/23/1064556723.db2.gz WJHNVLSKADDNHH-OAQYLSRUSA-N 1 0 454.619 2.925 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001296286679 1064558494 /nfs/dbraw/zinc/55/84/94/1064558494.db2.gz OBRSAEBKZPHTML-ATIYNZHBSA-N 1 0 499.729 2.515 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](C)CC)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001296287726 1064559987 /nfs/dbraw/zinc/55/99/87/1064559987.db2.gz WBVJRMFQYKCZOZ-IFMALSPDSA-N 1 0 455.651 2.661 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1)[NH+](C)C ZINC001291951288 1064563264 /nfs/dbraw/zinc/56/32/64/1064563264.db2.gz CDEKGXDNWDNDCK-QGZVFWFLSA-N 1 0 466.428 2.728 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001291952029 1064564444 /nfs/dbraw/zinc/56/44/44/1064564444.db2.gz HHLREIREQGWBDO-MSOLQXFVSA-N 1 0 461.014 2.574 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[NH+](C)C ZINC001291952240 1064564855 /nfs/dbraw/zinc/56/48/55/1064564855.db2.gz JNBCVDSIZDTXPK-JOCHJYFZSA-N 1 0 459.614 2.853 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001291952030 1064564905 /nfs/dbraw/zinc/56/49/05/1064564905.db2.gz HHLREIREQGWBDO-QZTJIDSGSA-N 1 0 461.014 2.574 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1)[NH+](C)C ZINC001291952555 1064565252 /nfs/dbraw/zinc/56/52/52/1064565252.db2.gz LWLUOLIFFZDQOZ-PZJWPPBQSA-N 1 0 469.634 2.825 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC001291952939 1064565820 /nfs/dbraw/zinc/56/58/20/1064565820.db2.gz NZXPYNNZRQJMIC-HSZRJFAPSA-N 1 0 468.646 2.747 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001296294366 1064570396 /nfs/dbraw/zinc/57/03/96/1064570396.db2.gz IZPXVUXXPOOCHB-NRFANRHFSA-N 1 0 499.660 2.631 20 0 JFADRO CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)OC ZINC001291956314 1064571790 /nfs/dbraw/zinc/57/17/90/1064571790.db2.gz QWNYOGOAIYGJEV-XZOQPEGZSA-N 1 0 485.677 2.868 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC)[NH+]1CCOCC1 ZINC001291961567 1064574116 /nfs/dbraw/zinc/57/41/16/1064574116.db2.gz LHVPPDJUTLXLAA-YADHBBJMSA-N 1 0 454.619 2.797 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2cscn2)CC1)[NH+](C)C ZINC001291961693 1064574691 /nfs/dbraw/zinc/57/46/91/1064574691.db2.gz AZURBCAXKOYNBZ-OAQYLSRUSA-N 1 0 471.679 2.824 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)[NH+](C)C ZINC001291961966 1064575098 /nfs/dbraw/zinc/57/50/98/1064575098.db2.gz DVRVCXYHLJYIAY-GHTZIAJQSA-N 1 0 458.655 2.738 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001291961901 1064575196 /nfs/dbraw/zinc/57/51/96/1064575196.db2.gz OHXJEJCKVUPEPI-QFIPXVFZSA-N 1 0 470.618 2.867 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291962203 1064575540 /nfs/dbraw/zinc/57/55/40/1064575540.db2.gz ABSAIWLCPBVNID-SFTDATJTSA-N 1 0 456.639 2.713 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001291962361 1064575937 /nfs/dbraw/zinc/57/59/37/1064575937.db2.gz PFDOKUPAOOPQHB-HSZRJFAPSA-N 1 0 483.661 2.782 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC2(CCN(C)C2=O)CC1)[NH+](C)C ZINC001291962931 1064576234 /nfs/dbraw/zinc/57/62/34/1064576234.db2.gz IAAXNHHVIQSQPG-HXUWFJFHSA-N 1 0 454.623 2.550 20 0 JFADRO CCC(CC)[C@H](Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1)[NH+](C)C ZINC001291963794 1064577204 /nfs/dbraw/zinc/57/72/04/1064577204.db2.gz DMSRXWMJKBJZLZ-QFIPXVFZSA-N 1 0 459.683 2.656 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCOCC1 ZINC001291964633 1064578055 /nfs/dbraw/zinc/57/80/55/1064578055.db2.gz NCRBDCXPUYPTEF-HXUWFJFHSA-N 1 0 496.582 2.556 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCOCC1 ZINC001291966115 1064579176 /nfs/dbraw/zinc/57/91/76/1064579176.db2.gz UJTRYRIHMBKFSD-FCHUYYIVSA-N 1 0 469.634 2.500 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1)[NH+](C)C ZINC001291966223 1064579613 /nfs/dbraw/zinc/57/96/13/1064579613.db2.gz VHWQJUITEFUXID-UXHICEINSA-N 1 0 454.579 2.976 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1)[NH+](C)C ZINC001291966226 1064579641 /nfs/dbraw/zinc/57/96/41/1064579641.db2.gz VHWQJUITEFUXID-WOJBJXKFSA-N 1 0 454.579 2.976 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC001296301434 1064579879 /nfs/dbraw/zinc/57/98/79/1064579879.db2.gz FLMBABNDLGBJTC-UHFFFAOYSA-N 1 0 475.682 2.710 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1)[NH+](C)C ZINC001291966559 1064580383 /nfs/dbraw/zinc/58/03/83/1064580383.db2.gz CIOVIHOBFBLFPU-RTWAWAEBSA-N 1 0 456.639 2.573 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC001291966877 1064581133 /nfs/dbraw/zinc/58/11/33/1064581133.db2.gz FIJZGGPCLQQXQZ-CNNODRBYSA-N 1 0 470.618 2.859 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1)[NH+](C)C ZINC001291966908 1064581485 /nfs/dbraw/zinc/58/14/85/1064581485.db2.gz ZFRYYBLFJMBMIK-OAQYLSRUSA-N 1 0 456.639 2.796 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1)[NH+]1CCOCC1 ZINC001291967289 1064581852 /nfs/dbraw/zinc/58/18/52/1064581852.db2.gz HMWOIGRLKZHXEP-LEWJYISDSA-N 1 0 460.667 2.815 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001291967220 1064581898 /nfs/dbraw/zinc/58/18/98/1064581898.db2.gz OAKHLHXTMRONQF-ACRUOGEOSA-N 1 0 478.707 2.944 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1)[NH+]1CCOCC1 ZINC001291967291 1064582364 /nfs/dbraw/zinc/58/23/64/1064582364.db2.gz HMWOIGRLKZHXEP-RTWAWAEBSA-N 1 0 460.667 2.815 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001296303080 1064583324 /nfs/dbraw/zinc/58/33/24/1064583324.db2.gz ZBFSKGVGPSQDKA-OALUTQOASA-N 1 0 473.597 2.893 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+](C)C ZINC001291967971 1064583813 /nfs/dbraw/zinc/58/38/13/1064583813.db2.gz SEEDAHQPSPAJCT-FSSWDIPSSA-N 1 0 496.722 2.890 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001291968518 1064584495 /nfs/dbraw/zinc/58/44/95/1064584495.db2.gz QFGIMZXKMMOCSQ-OALUTQOASA-N 1 0 473.670 2.765 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001291973361 1064588248 /nfs/dbraw/zinc/58/82/48/1064588248.db2.gz HFRPIQCKOOJAMU-QGZVFWFLSA-N 1 0 460.545 2.536 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001291973665 1064588637 /nfs/dbraw/zinc/58/86/37/1064588637.db2.gz IXKALCURTZEFIT-CVDCTZTESA-N 1 0 459.664 2.859 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291975064 1064589788 /nfs/dbraw/zinc/58/97/88/1064589788.db2.gz QHBSJSHGIVSHMC-LEWJYISDSA-N 1 0 487.674 2.506 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC001296309496 1064590328 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CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001292121573 1064850291 /nfs/dbraw/zinc/85/02/91/1064850291.db2.gz AJTICSVMACOQNV-FQEVSTJZSA-N 1 0 497.692 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292121574 1064850333 /nfs/dbraw/zinc/85/03/33/1064850333.db2.gz AJTICSVMACOQNV-HXUWFJFHSA-N 1 0 497.692 2.824 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)cs3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292122790 1064859345 /nfs/dbraw/zinc/85/93/45/1064859345.db2.gz WZBSUYQVVCMQEF-SFHVURJKSA-N 1 0 474.679 2.772 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1CC1(C)COC1 ZINC001292123513 1064861748 /nfs/dbraw/zinc/86/17/48/1064861748.db2.gz FXWYWBLUMKAEEL-UHFFFAOYSA-N 1 0 454.619 2.864 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCC(=O)NC1CCCCC1 ZINC001292123549 1064862342 /nfs/dbraw/zinc/86/23/42/1064862342.db2.gz GHBAQWOKYOSKEE-GOSISDBHSA-N 1 0 461.655 2.566 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCc1ccc2c(c1)OCCO2 ZINC001292124087 1064864572 /nfs/dbraw/zinc/86/45/72/1064864572.db2.gz KVJFLDLFSXVOBL-GOSISDBHSA-N 1 0 470.618 2.741 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](OC)c1ccccc1 ZINC001292124649 1064866592 /nfs/dbraw/zinc/86/65/92/1064866592.db2.gz GFOBZBPTPCJCNS-QHCPKHFHSA-N 1 0 484.645 2.885 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCOC1 ZINC001292124703 1064866609 /nfs/dbraw/zinc/86/66/09/1064866609.db2.gz OSSVOWBPDVTXMN-TZIWHRDSSA-N 1 0 454.619 2.944 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)C2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001292125759 1064871690 /nfs/dbraw/zinc/87/16/90/1064871690.db2.gz LMLNPHWUIHSJQT-VQTJNVASSA-N 1 0 475.682 2.622 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1csc(C)c1 ZINC001292126184 1064874379 /nfs/dbraw/zinc/87/43/79/1064874379.db2.gz JLIRXXLCGQZSPH-GOSISDBHSA-N 1 0 460.648 2.773 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCc1scnc1C ZINC001292127116 1064880417 /nfs/dbraw/zinc/88/04/17/1064880417.db2.gz WMHSJKMIMARUKQ-UHFFFAOYSA-N 1 0 489.690 2.753 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3noc(C)n3)C2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001292143840 1064913435 /nfs/dbraw/zinc/91/34/35/1064913435.db2.gz IMVFJZGCZDGTIW-FXAWDEMLSA-N 1 0 488.637 2.588 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292145952 1064922342 /nfs/dbraw/zinc/92/23/42/1064922342.db2.gz YODBNAGGFKCIDY-MJGOQNOKSA-N 1 0 475.663 2.881 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001292160453 1064942394 /nfs/dbraw/zinc/94/23/94/1064942394.db2.gz QHBKSFQXSXBHRO-BBWFWOEESA-N 1 0 458.529 2.545 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1)[NH+]1CCCC1 ZINC001292160593 1064942883 /nfs/dbraw/zinc/94/28/83/1064942883.db2.gz BNTCBKUEHAPRHP-RTBURBONSA-N 1 0 473.597 2.873 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCCCC[C@H]21)[NH+]1CCCC1 ZINC001292169584 1064955447 /nfs/dbraw/zinc/95/54/47/1064955447.db2.gz BABHITVHAHDDLC-MTQWCTHYSA-N 1 0 452.669 2.922 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170364 1064955951 /nfs/dbraw/zinc/95/59/51/1064955951.db2.gz CELKNNAWRJZEIJ-AZUAARDMSA-N 1 0 496.653 2.806 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1)[NH+]1CCCC1 ZINC001292173344 1064961683 /nfs/dbraw/zinc/96/16/83/1064961683.db2.gz NBNHUIHZPTYJQO-PKOBYXMFSA-N 1 0 452.669 2.945 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292173588 1064962041 /nfs/dbraw/zinc/96/20/41/1064962041.db2.gz NNDWZFRLVYKJOE-DBXWQHBBSA-N 1 0 460.648 2.571 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2=CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001292176118 1064965735 /nfs/dbraw/zinc/96/57/35/1064965735.db2.gz LBKBJINBCYXMAN-LJQANCHMSA-N 1 0 450.624 2.543 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)C2=CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001292176111 1064965779 /nfs/dbraw/zinc/96/57/79/1064965779.db2.gz LBKBJINBCYXMAN-IBGZPJMESA-N 1 0 450.624 2.543 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001292177104 1064967815 /nfs/dbraw/zinc/96/78/15/1064967815.db2.gz YHSWZIOYSGGZFK-UHFFFAOYSA-N 1 0 452.640 2.719 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCOC)CC1)[NH+]1CCCC1 ZINC001292181677 1064972213 /nfs/dbraw/zinc/97/22/13/1064972213.db2.gz VKJLYTAQYHTDBV-GOSISDBHSA-N 1 0 480.455 2.679 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001292184639 1064975601 /nfs/dbraw/zinc/97/56/01/1064975601.db2.gz KVJXQIDVFWDMKQ-WOJBJXKFSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)OC ZINC001292184637 1064975649 /nfs/dbraw/zinc/97/56/49/1064975649.db2.gz KVJXQIDVFWDMKQ-UXHICEINSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)OC ZINC001292186102 1064977463 /nfs/dbraw/zinc/97/74/63/1064977463.db2.gz PKESYIDRXWMRHL-VQTJNVASSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)[NH+]1CCCC1 ZINC001292187841 1064980619 /nfs/dbraw/zinc/98/06/19/1064980619.db2.gz ZPGBMOKHTIQSIK-DOTOQJQBSA-N 1 0 455.028 2.737 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001292187792 1064980649 /nfs/dbraw/zinc/98/06/49/1064980649.db2.gz YTQWBVWFRJDHJH-OAHLLOKOSA-N 1 0 465.371 2.657 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CC2CCOCC2)CC1)OC ZINC001292190470 1064981471 /nfs/dbraw/zinc/98/14/71/1064981471.db2.gz BXEYGNKWOIEHIW-HXUWFJFHSA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292193177 1064985805 /nfs/dbraw/zinc/98/58/05/1064985805.db2.gz PTAAKDJIWBTWEW-DLBZAZTESA-N 1 0 491.434 2.902 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292195937 1064987751 /nfs/dbraw/zinc/98/77/51/1064987751.db2.gz QUIKFWPTEVJPFS-MRXNPFEDSA-N 1 0 482.448 2.817 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292196924 1064988723 /nfs/dbraw/zinc/98/87/23/1064988723.db2.gz CBSTWNGBYXKEKS-GOSISDBHSA-N 1 0 478.638 2.819 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292200114 1064991537 /nfs/dbraw/zinc/99/15/37/1064991537.db2.gz QTYWMEANOFSYRM-FUHIMQAGSA-N 1 0 461.994 2.833 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1)[NH+]1CCCC1 ZINC001292221887 1065008179 /nfs/dbraw/zinc/00/81/79/1065008179.db2.gz BYRDNISHMXOHRJ-RTWAWAEBSA-N 1 0 492.665 2.670 20 0 JFADRO CC[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC001292232062 1065018795 /nfs/dbraw/zinc/01/87/95/1065018795.db2.gz YFPQQPFQLVQTNB-DEOSSOPVSA-N 1 0 495.716 2.914 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292235244 1065019495 /nfs/dbraw/zinc/01/94/95/1065019495.db2.gz GANFYHQOLIPXSX-SFTDATJTSA-N 1 0 460.648 2.542 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1)[NH+]1CCCC1 ZINC001292236714 1065020982 /nfs/dbraw/zinc/02/09/82/1065020982.db2.gz PNFKUQGPSUPTQS-JOCHJYFZSA-N 1 0 454.619 2.811 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001292237054 1065021492 /nfs/dbraw/zinc/02/14/92/1065021492.db2.gz SAGQVLSNWYBZEF-PKOBYXMFSA-N 1 0 479.551 2.643 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N(C)CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001292252516 1065035213 /nfs/dbraw/zinc/03/52/13/1065035213.db2.gz RWFAYLUYWVUNDM-QFIPXVFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1)[NH+]1CCCC1 ZINC001292253537 1065035638 /nfs/dbraw/zinc/03/56/38/1065035638.db2.gz AHZRFSUUJCMIQX-NRFANRHFSA-N 1 0 470.618 2.845 20 0 JFADRO CC[C@@H](Cn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292254282 1065036951 /nfs/dbraw/zinc/03/69/51/1065036951.db2.gz AUKKBIRBLJDRTF-URXFXBBRSA-N 1 0 459.639 2.871 20 0 JFADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001292254762 1065037315 /nfs/dbraw/zinc/03/73/15/1065037315.db2.gz MFNQTWOIZBKNER-RTBURBONSA-N 1 0 457.575 2.739 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1)OC ZINC001292256554 1065039135 /nfs/dbraw/zinc/03/91/35/1065039135.db2.gz TXMNNIJBNMMHQF-OAQYLSRUSA-N 1 0 461.582 2.970 20 0 JFADRO CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001292263255 1065042294 /nfs/dbraw/zinc/04/22/94/1065042294.db2.gz AKZAZZVDALFXQM-XJUOHMSHSA-N 1 0 476.666 2.571 20 0 JFADRO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292271699 1065049213 /nfs/dbraw/zinc/04/92/13/1065049213.db2.gz ABXJPSRSTZVGSB-QFIPXVFZSA-N 1 0 452.599 2.632 20 0 JFADRO CCC(O)(CC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292275709 1065052337 /nfs/dbraw/zinc/05/23/37/1065052337.db2.gz UYTKTIFDKPHVCZ-OAQYLSRUSA-N 1 0 474.650 2.629 20 0 JFADRO CCC(O)(CC)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001292279984 1065055085 /nfs/dbraw/zinc/05/50/85/1065055085.db2.gz MZTRXXMMKZCRHE-UHFFFAOYSA-N 1 0 477.679 2.756 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001292288448 1065060662 /nfs/dbraw/zinc/06/06/62/1065060662.db2.gz DBOVUQOTLSGFCR-QGZVFWFLSA-N 1 0 462.664 2.874 20 0 JFADRO CCC(O)(CC)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001292289769 1065061673 /nfs/dbraw/zinc/06/16/73/1065061673.db2.gz OLBRBRKYTWNIKT-RDGATRHJSA-N 1 0 496.700 2.993 20 0 JFADRO C[NH+](C)CCOc1cccc(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001292293343 1065065331 /nfs/dbraw/zinc/06/53/31/1065065331.db2.gz SLVUPGMKVBMYJG-HKBQPEDESA-N 1 0 453.605 2.714 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001292334023 1065090031 /nfs/dbraw/zinc/09/00/31/1065090031.db2.gz ZAOCSBIVUTXRAH-ZFGGDYGUSA-N 1 0 490.674 2.540 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001292347903 1065094948 /nfs/dbraw/zinc/09/49/48/1065094948.db2.gz XSQBHHYIYHKPNM-ISJRUSPKSA-N 1 0 484.711 2.650 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001292352238 1065096835 /nfs/dbraw/zinc/09/68/35/1065096835.db2.gz FVKMQVMUHFEVDZ-DFBJGRDBSA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CCO1 ZINC001292352241 1065096950 /nfs/dbraw/zinc/09/69/50/1065096950.db2.gz FVKMQVMUHFEVDZ-UQBPGWFLSA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292352895 1065097331 /nfs/dbraw/zinc/09/73/31/1065097331.db2.gz HCYILSWYDNMRTC-CYFREDJKSA-N 1 0 490.052 2.942 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC001292357262 1065102149 /nfs/dbraw/zinc/10/21/49/1065102149.db2.gz SWYCLXSECQTDSI-AREMUKBSSA-N 1 0 486.661 2.994 20 0 JFADRO CC[C@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001292364697 1065105612 /nfs/dbraw/zinc/10/56/12/1065105612.db2.gz LTJLTDYMRMPMJJ-NFBKMPQASA-N 1 0 462.664 2.876 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCO1 ZINC001292372187 1065116484 /nfs/dbraw/zinc/11/64/84/1065116484.db2.gz ZLBIAKBXDDSTAW-NZQKXSOJSA-N 1 0 467.680 2.842 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001292379284 1065123278 /nfs/dbraw/zinc/12/32/78/1065123278.db2.gz KAZGSEVJPMGNTI-CYFREDJKSA-N 1 0 461.582 2.848 20 0 JFADRO CC[C@]1(C)CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)CCO1 ZINC001292379286 1065123349 /nfs/dbraw/zinc/12/33/49/1065123349.db2.gz KAZGSEVJPMGNTI-NTKDMRAZSA-N 1 0 461.582 2.848 20 0 JFADRO CC[C@@]1(C)CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOCC[NH+](C)C)CCO1 ZINC001292380557 1065125136 /nfs/dbraw/zinc/12/51/36/1065125136.db2.gz WZSSAMFHSGFOPL-CYFREDJKSA-N 1 0 480.654 2.934 20 0 JFADRO CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)CCCC1 ZINC001292414752 1065148425 /nfs/dbraw/zinc/14/84/25/1065148425.db2.gz UABLTYCMXCUNFM-OALUTQOASA-N 1 0 452.669 2.923 20 0 JFADRO CCC1(Cn2c([C@H](C)OCCOC)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001292413986 1065148443 /nfs/dbraw/zinc/14/84/43/1065148443.db2.gz PNRGOSQXHNTZEJ-URVUXULASA-N 1 0 476.666 2.571 20 0 JFADRO CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC001292415297 1065149162 /nfs/dbraw/zinc/14/91/62/1065149162.db2.gz XSOSPCMCXNGTNF-HSALFYBXSA-N 1 0 496.722 2.794 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001292432385 1065158603 /nfs/dbraw/zinc/15/86/03/1065158603.db2.gz GNQCWVDIGQAAMP-LJQANCHMSA-N 1 0 451.531 2.831 20 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CCc1ccc(-c2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCN2CCCS2(=O)=O)cc1 ZINC001292511683 1065229730 /nfs/dbraw/zinc/22/97/30/1065229730.db2.gz ZJLPVJXOJKOEBX-UHFFFAOYSA-N 1 0 474.675 2.854 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCNC(=O)c2ccn[nH]2)cc1 ZINC001292512468 1065230753 /nfs/dbraw/zinc/23/07/53/1065230753.db2.gz MPNJUKFBQDKKLT-UHFFFAOYSA-N 1 0 450.591 2.581 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001292513613 1065233457 /nfs/dbraw/zinc/23/34/57/1065233457.db2.gz IPIKKRWKKYHHPL-SFTDATJTSA-N 1 0 498.672 2.690 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N(CC)CC)CC3)n2C[C@H]2CCC[N@@H+]2CC)cc1 ZINC001292517862 1065239963 /nfs/dbraw/zinc/23/99/63/1065239963.db2.gz JNQWLUXCVQGMHT-XMMPIXPASA-N 1 0 481.689 2.982 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N(CC)CC)CC3)n2CC[NH+]2CCCC2)cc1 ZINC001292518249 1065241849 /nfs/dbraw/zinc/24/18/49/1065241849.db2.gz OWAHIJLDKOMFMK-UHFFFAOYSA-N 1 0 467.662 2.594 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@@H+](C4CCOCC4)C[C@H]3C)n2CCOCCOC)cc1 ZINC001292518319 1065242143 /nfs/dbraw/zinc/24/21/43/1065242143.db2.gz PSWLVXOTYLTQMP-HXUWFJFHSA-N 1 0 457.619 2.860 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@](C)(O)CCOC)cc1 ZINC001292518313 1065242237 /nfs/dbraw/zinc/24/22/37/1065242237.db2.gz PNLVIEHEKNBXRI-RUZDIDTESA-N 1 0 457.619 2.596 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)n2CCC(=O)NC)cc1 ZINC001292520747 1065245907 /nfs/dbraw/zinc/24/59/07/1065245907.db2.gz STFVVNYAJHDLQS-NHCUHLMSSA-N 1 0 467.662 2.638 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)n2CCC(=O)NC)cc1 ZINC001292520749 1065246589 /nfs/dbraw/zinc/24/65/89/1065246589.db2.gz STFVVNYAJHDLQS-SFTDATJTSA-N 1 0 467.662 2.638 20 0 JFADRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521208 1065247414 /nfs/dbraw/zinc/24/74/14/1065247414.db2.gz DGUAEBSYJNCUNR-IOMROCGXSA-N 1 0 458.603 2.829 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2CC[N@H+](C)CCCOC)cc1 ZINC001292525261 1065251159 /nfs/dbraw/zinc/25/11/59/1065251159.db2.gz QXZVPMPGSGHCQC-DEOSSOPVSA-N 1 0 456.591 2.507 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](CC(=O)OC)[C@H](O)C3)n2CC[NH+]2CCCCCC2)cc1 ZINC001292533958 1065256855 /nfs/dbraw/zinc/25/68/55/1065256855.db2.gz ASXNGZHWGNYOMH-FGZHOGPDSA-N 1 0 455.603 2.744 20 0 JFADRO C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC[N@H+](CCCc3ccccc3)CC1)C2=O ZINC001292541765 1065263915 /nfs/dbraw/zinc/26/39/15/1065263915.db2.gz WZJBKTRNDDXYND-SFTDATJTSA-N 1 0 454.615 2.900 20 0 JFADRO CCc1nnc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292542991 1065264768 /nfs/dbraw/zinc/26/47/68/1065264768.db2.gz ZNQDIGKAZDVBEZ-PKTZIBPZSA-N 1 0 468.646 2.924 20 0 JFADRO CCc1cccc2c(CCn3c([C@H](C)NS(C)(=O)=O)nnc3N3CC[N@@H+](CC)[C@@H](C)C3)c[nH]c21 ZINC001292567316 1065278508 /nfs/dbraw/zinc/27/85/08/1065278508.db2.gz ICFFGEAUBZCYPD-ROUUACIJSA-N 1 0 487.674 2.705 20 0 JFADRO CCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001292568003 1065279463 /nfs/dbraw/zinc/27/94/63/1065279463.db2.gz KFLDEXNEDGSLOR-IBGZPJMESA-N 1 0 454.619 2.717 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292570649 1065282473 /nfs/dbraw/zinc/28/24/73/1065282473.db2.gz ODFDTZDNWSOXLU-RUZDIDTESA-N 1 0 499.685 2.589 20 0 JFADRO NS(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)oc1Cl ZINC001292572942 1065284163 /nfs/dbraw/zinc/28/41/63/1065284163.db2.gz JNSRKPLIFREPFM-UHFFFAOYSA-N 1 0 454.936 2.647 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[N@H+]1CC ZINC001292578344 1065290425 /nfs/dbraw/zinc/29/04/25/1065290425.db2.gz IDGCNKDDTAMKRH-HXUWFJFHSA-N 1 0 467.618 2.522 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc(CN2CCCC2=O)n1CC[NH+]1CCCCC1 ZINC001292579954 1065296448 /nfs/dbraw/zinc/29/64/48/1065296448.db2.gz YLPFSDWILYBNRC-UHFFFAOYSA-N 1 0 467.618 2.524 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001292589520 1065305786 /nfs/dbraw/zinc/30/57/86/1065305786.db2.gz MFFYIFXISGKDDS-QUCCMNQESA-N 1 0 461.632 2.527 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCS(C)(=O)=O ZINC001292589521 1065305914 /nfs/dbraw/zinc/30/59/14/1065305914.db2.gz MFFYIFXISGKDDS-UYAOXDASSA-N 1 0 461.632 2.527 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC001292590013 1065306988 /nfs/dbraw/zinc/30/69/88/1065306988.db2.gz JMOODDZPFPJTNG-KHOMTPLRSA-N 1 0 456.587 2.970 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC(C)(C)C(=O)NC ZINC001292590799 1065308531 /nfs/dbraw/zinc/30/85/31/1065308531.db2.gz VXMGZXDVRATRON-AZUAARDMSA-N 1 0 454.619 2.865 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(S(C)(=O)=O)CC2)n1CC1([NH+](C)C)CCC1 ZINC001292600100 1065321254 /nfs/dbraw/zinc/32/12/54/1065321254.db2.gz AZNQCBHDGXWFLG-UHFFFAOYSA-N 1 0 475.659 2.917 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001292609732 1065337041 /nfs/dbraw/zinc/33/70/41/1065337041.db2.gz HIPLLTKTMQNJSP-FQEVSTJZSA-N 1 0 469.634 2.613 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[N@@H+](C)[C@@H](C)CC ZINC001292614172 1065342583 /nfs/dbraw/zinc/34/25/83/1065342583.db2.gz DASVBFJTTKXMTQ-PZJWPPBQSA-N 1 0 469.634 2.706 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F ZINC001292614409 1065343962 /nfs/dbraw/zinc/34/39/62/1065343962.db2.gz DXMDPXTWALTKRN-INIZCTEOSA-N 1 0 468.524 2.628 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001292616014 1065349978 /nfs/dbraw/zinc/34/99/78/1065349978.db2.gz WYJURFVKUOPITE-OAQYLSRUSA-N 1 0 469.634 2.706 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@H](c1ccco1)[NH+](C)C ZINC001292616317 1065350644 /nfs/dbraw/zinc/35/06/44/1065350644.db2.gz TTWODGWIWVDDLE-AZUAARDMSA-N 1 0 466.586 2.982 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292620246 1065357332 /nfs/dbraw/zinc/35/73/32/1065357332.db2.gz ZZKLAJVHEZYTQL-URXFXBBRSA-N 1 0 498.672 2.881 20 0 JFADRO CCc1cnc(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC001292626433 1065363452 /nfs/dbraw/zinc/36/34/52/1065363452.db2.gz JFJVTAZSJZYCNF-IBGZPJMESA-N 1 0 473.691 2.871 20 0 JFADRO CCc1cnc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)s1 ZINC001292642561 1065378634 /nfs/dbraw/zinc/37/86/34/1065378634.db2.gz WONITJYPLDNYND-ROUUACIJSA-N 1 0 480.704 2.956 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 ZINC001292660452 1065396622 /nfs/dbraw/zinc/39/66/22/1065396622.db2.gz LQCNXKZETXVEJB-JAXLGGSGSA-N 1 0 459.635 2.534 20 0 JFADRO CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)no1 ZINC001292696570 1065447066 /nfs/dbraw/zinc/44/70/66/1065447066.db2.gz SJDSZNUDMOPBTL-RTBURBONSA-N 1 0 472.638 2.695 20 0 JFADRO CCc1nc(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)no1 ZINC001292717745 1065473333 /nfs/dbraw/zinc/47/33/33/1065473333.db2.gz JNISKJXBRHFZRG-GOSISDBHSA-N 1 0 453.591 2.790 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001292728971 1065490392 /nfs/dbraw/zinc/49/03/92/1065490392.db2.gz OGPHKUDPGXFKOI-LJQANCHMSA-N 1 0 470.647 2.871 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001292729551 1065491898 /nfs/dbraw/zinc/49/18/98/1065491898.db2.gz UCGVUAOSCKLFBZ-ZWKOTPCHSA-N 1 0 480.704 2.956 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c([C@H](C)CC)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001292775320 1065533193 /nfs/dbraw/zinc/53/31/93/1065533193.db2.gz WXQCLDIZWNIIGO-MSOLQXFVSA-N 1 0 459.639 2.834 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001292783779 1065544391 /nfs/dbraw/zinc/54/43/91/1065544391.db2.gz ZRIVKVSDKXWTBV-VWLOTQADSA-N 1 0 489.665 2.592 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(N2CCC[N@@H+](C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001292783778 1065544422 /nfs/dbraw/zinc/54/44/22/1065544422.db2.gz ZRIVKVSDKXWTBV-RUZDIDTESA-N 1 0 489.665 2.592 20 0 JFADRO CCc1nnc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[NH+](C(C)(C)C)CC2)s1 ZINC001292786620 1065549141 /nfs/dbraw/zinc/54/91/41/1065549141.db2.gz WFZJQNRLNFGZKK-UHFFFAOYSA-N 1 0 489.671 2.731 20 0 JFADRO CCc1nnc(Cn2c(-c3ccccc3OC)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)s1 ZINC001292790611 1065552213 /nfs/dbraw/zinc/55/22/13/1065552213.db2.gz LUPYSOQYUBVUCX-KRWDZBQOSA-N 1 0 471.631 2.963 20 0 JFADRO CCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC[C@H](C(F)F)N1CCOCC1 ZINC001292813703 1065564351 /nfs/dbraw/zinc/56/43/51/1065564351.db2.gz OFFCYBBDGIMSTQ-NHCUHLMSSA-N 1 0 462.589 2.907 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001292817147 1065566242 /nfs/dbraw/zinc/56/62/42/1065566242.db2.gz OYSVDCXIBSMHCK-XMMPIXPASA-N 1 0 455.607 2.755 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC[C@@](C)(O)c1ccccc1 ZINC001292818278 1065566736 /nfs/dbraw/zinc/56/67/36/1065566736.db2.gz XQJZKEKFPMFKSK-RUZDIDTESA-N 1 0 451.619 2.936 20 0 JFADRO CCC[NH+](CCC)CCCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC001292848177 1065575157 /nfs/dbraw/zinc/57/51/57/1065575157.db2.gz WMXXPTJEVWFKJT-UHFFFAOYSA-N 1 0 455.529 2.988 20 0 JFADRO CCc1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001292851159 1065575586 /nfs/dbraw/zinc/57/55/86/1065575586.db2.gz CVXMHALUKHUQSW-REWPJTCUSA-N 1 0 454.619 2.991 20 0 JFADRO CN(C(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001292873086 1065581727 /nfs/dbraw/zinc/58/17/27/1065581727.db2.gz OFBYXMLELGZHFX-MRXNPFEDSA-N 1 0 458.422 2.692 20 0 JFADRO Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001292877504 1065582567 /nfs/dbraw/zinc/58/25/67/1065582567.db2.gz FGNMVXTYDKHKRC-UHFFFAOYSA-N 1 0 454.600 2.527 20 0 JFADRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)CC1 ZINC001292877996 1065583178 /nfs/dbraw/zinc/58/31/78/1065583178.db2.gz QKEFUAZVWCRVQG-JOCHJYFZSA-N 1 0 455.521 2.714 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001292894287 1065595441 /nfs/dbraw/zinc/59/54/41/1065595441.db2.gz WKOSWDMQBIPXEG-UTKZUKDTSA-N 1 0 493.578 2.876 20 0 JFADRO CCc1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292907490 1065599045 /nfs/dbraw/zinc/59/90/45/1065599045.db2.gz SQGFJBVPIZXAQB-KSEOMHKRSA-N 1 0 454.619 2.750 20 0 JFADRO CCc1nnc(N2C[C@H](C)OC3(CCOCC3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001292909576 1065599534 /nfs/dbraw/zinc/59/95/34/1065599534.db2.gz OMOAAJUNJCZHSE-FQEVSTJZSA-N 1 0 457.619 2.798 20 0 JFADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292911807 1065602101 /nfs/dbraw/zinc/60/21/01/1065602101.db2.gz MKKZYISGMWHTDC-JENIJYKNSA-N 1 0 473.618 2.799 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292921803 1065607109 /nfs/dbraw/zinc/60/71/09/1065607109.db2.gz DDPRAOJZNIJAFP-HXUWFJFHSA-N 1 0 460.667 2.551 20 0 JFADRO CCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1cccc(C[NH+](CC)CC)c1 ZINC001292938106 1065625472 /nfs/dbraw/zinc/62/54/72/1065625472.db2.gz CJGUKJZPHVYDGH-VWLOTQADSA-N 1 0 467.618 2.545 20 0 JFADRO COc1cc(CNC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1OCC[NH+](C)C ZINC001292942967 1065627663 /nfs/dbraw/zinc/62/76/63/1065627663.db2.gz XPPBVQBHSTYSCS-YLJYHZDGSA-N 1 0 453.555 2.847 20 0 JFADRO CN1CCN([C@@H](CNC(=O)Cc2csc(SCC[NH+](C)C)n2)c2cccs2)CC1 ZINC001292949770 1065629731 /nfs/dbraw/zinc/62/97/31/1065629731.db2.gz VQXDXHHLRCAKNB-KRWDZBQOSA-N 1 0 453.703 2.506 20 0 JFADRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CC1 ZINC001292959003 1065636969 /nfs/dbraw/zinc/63/69/69/1065636969.db2.gz OYYRNIRAGXJFRY-CBZJRKILSA-N 1 0 458.466 2.727 20 0 JFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC001292959106 1065637024 /nfs/dbraw/zinc/63/70/24/1065637024.db2.gz TXAIYHYQXRPBGO-FQEVSTJZSA-N 1 0 458.550 2.921 20 0 JFADRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC001292959005 1065637122 /nfs/dbraw/zinc/63/71/22/1065637122.db2.gz OYYRNIRAGXJFRY-SOKVYYICSA-N 1 0 458.466 2.727 20 0 JFADRO C[N@@H+]1CCCN(CCCNC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292968505 1065648117 /nfs/dbraw/zinc/64/81/17/1065648117.db2.gz RHZSLEIVJHMATF-UZYVYHOESA-N 1 0 451.600 2.544 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292978225 1065658401 /nfs/dbraw/zinc/65/84/01/1065658401.db2.gz DSDODQVEVMTJLG-IBGZPJMESA-N 1 0 478.588 2.909 20 0 JFADRO CCc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@H](C)Oc1ccccc1OC ZINC001292979176 1065660478 /nfs/dbraw/zinc/66/04/78/1065660478.db2.gz MWPSWOOMOBKMDO-SFTDATJTSA-N 1 0 456.635 2.921 20 0 JFADRO CCc1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001292979113 1065660504 /nfs/dbraw/zinc/66/05/04/1065660504.db2.gz LNXUIEDFXAJMMV-LJQANCHMSA-N 1 0 458.573 2.948 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292980204 1065663853 /nfs/dbraw/zinc/66/38/53/1065663853.db2.gz MTVMFPQDUZIFBA-QZTJIDSGSA-N 1 0 457.623 2.904 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001292981172 1065666044 /nfs/dbraw/zinc/66/60/44/1065666044.db2.gz CKHPWIPVQGRUBH-AQNXPRMDSA-N 1 0 464.655 2.817 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC001292984620 1065667965 /nfs/dbraw/zinc/66/79/65/1065667965.db2.gz GETLPPDMVVXLPD-NRFANRHFSA-N 1 0 459.587 2.912 20 0 JFADRO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001292985871 1065670247 /nfs/dbraw/zinc/67/02/47/1065670247.db2.gz JCSGWDBJDOBXNF-WRALFONMSA-N 1 0 459.587 2.562 20 0 JFADRO CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001292985865 1065670259 /nfs/dbraw/zinc/67/02/59/1065670259.db2.gz JCSGWDBJDOBXNF-OTNCWRBYSA-N 1 0 459.587 2.562 20 0 JFADRO CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC001292986390 1065670959 /nfs/dbraw/zinc/67/09/59/1065670959.db2.gz KQGAEABUBJOYPE-XXBNENTESA-N 1 0 453.587 2.721 20 0 JFADRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C)c2ccc(I)cc2)CC1 ZINC001292987253 1065673221 /nfs/dbraw/zinc/67/32/21/1065673221.db2.gz VMHZWGVDCWZBAR-AWEZNQCLSA-N 1 0 458.340 2.786 20 0 JFADRO Cc1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnn1-c1ccccc1Cl ZINC001292988520 1065676253 /nfs/dbraw/zinc/67/62/53/1065676253.db2.gz YJTTYVFGEIBYEI-UHFFFAOYSA-N 1 0 458.994 2.683 20 0 JFADRO CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001292990017 1065677016 /nfs/dbraw/zinc/67/70/16/1065677016.db2.gz MKXBUEWVSSQZOF-NRFANRHFSA-N 1 0 455.651 2.865 20 0 JFADRO CCc1nnc(N2CCC(Oc3cc(C)ccn3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001292990018 1065677094 /nfs/dbraw/zinc/67/70/94/1065677094.db2.gz MKXBUEWVSSQZOF-OAQYLSRUSA-N 1 0 455.651 2.865 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2c(C)c(Br)c[nH]c2=O)CC1 ZINC001292993224 1065680878 /nfs/dbraw/zinc/68/08/78/1065680878.db2.gz MWHYAJUREXZAAC-UHFFFAOYSA-N 1 0 455.397 2.558 20 0 JFADRO CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001292994613 1065682664 /nfs/dbraw/zinc/68/26/64/1065682664.db2.gz LWHDEKCITJMQLR-YTTGMZPUSA-N 1 0 459.660 2.849 20 0 JFADRO CCc1nnc(N2CC[C@@H](OCc3cccc(OC)c3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292995151 1065683654 /nfs/dbraw/zinc/68/36/54/1065683654.db2.gz QJGNYGKQSSWCHZ-JOCHJYFZSA-N 1 0 457.619 2.880 20 0 JFADRO CCc1nnc(N2CCc3cc(OC)c(C)cc3C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293004837 1065689267 /nfs/dbraw/zinc/68/92/67/1065689267.db2.gz VOLWNDVPTRGSHT-OAQYLSRUSA-N 1 0 454.619 2.663 20 0 JFADRO 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ZINC001293321119 1065948391 /nfs/dbraw/zinc/94/83/91/1065948391.db2.gz LRVVKHGESMWJIG-KJJMTIBFSA-N 1 0 496.722 2.890 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(CNC(=O)c2cccs2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293330881 1065951724 /nfs/dbraw/zinc/95/17/24/1065951724.db2.gz FWVRMQOYNJWTLN-RTBURBONSA-N 1 0 473.691 2.920 20 0 JFADRO CN(C(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC001293350545 1065960516 /nfs/dbraw/zinc/96/05/16/1065960516.db2.gz IWBXIJCSMVPUCR-UHFFFAOYSA-N 1 0 451.502 2.763 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nccs2)CC1 ZINC001293361340 1065965011 /nfs/dbraw/zinc/96/50/11/1065965011.db2.gz VAFYBYNXKZAZHG-LJQANCHMSA-N 1 0 474.679 2.854 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001293362098 1065966062 /nfs/dbraw/zinc/96/60/62/1065966062.db2.gz CUSXBDQGEGQQGU-WOIUINJBSA-N 1 0 470.684 2.548 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001293365616 1065970491 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/nfs/dbraw/zinc/97/39/87/1065973987.db2.gz DKWFOFDFYFAYRK-LJQANCHMSA-N 1 0 488.658 2.924 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001293371329 1065974019 /nfs/dbraw/zinc/97/40/19/1065974019.db2.gz DWKNNJKLDKFXHF-HXUWFJFHSA-N 1 0 456.639 2.652 20 0 JFADRO C[C@@H]([NH2+]C1(CNC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CCOCC1)c1ccccc1 ZINC001293372074 1065975564 /nfs/dbraw/zinc/97/55/64/1065975564.db2.gz OTXKJKZSQVIKCU-UYAOXDASSA-N 1 0 458.580 2.628 20 0 JFADRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CCOCC1)c1ccccc1 ZINC001293372858 1065976190 /nfs/dbraw/zinc/97/61/90/1065976190.db2.gz ULRRDTOHBNWKTH-HNNXBMFYSA-N 1 0 451.976 2.617 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 ZINC001293373277 1065977067 /nfs/dbraw/zinc/97/70/67/1065977067.db2.gz MXDUUIDEDMVZHM-FQEVSTJZSA-N 1 0 464.609 2.791 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CCOCC1 ZINC001293373121 1065977126 /nfs/dbraw/zinc/97/71/26/1065977126.db2.gz PLGDUZCHFDRQMW-RTWAWAEBSA-N 1 0 467.680 2.698 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373733 1065978284 /nfs/dbraw/zinc/97/82/84/1065978284.db2.gz RFBUDIHRMRHSRS-IFMALSPDSA-N 1 0 475.659 2.787 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001293373762 1065978769 /nfs/dbraw/zinc/97/87/69/1065978769.db2.gz RNHFUOVZHGPYPP-QFIPXVFZSA-N 1 0 470.666 2.886 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001293373845 1065978867 /nfs/dbraw/zinc/97/88/67/1065978867.db2.gz SIBBFTPZKNTQHY-FQEVSTJZSA-N 1 0 489.665 2.722 20 0 JFADRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)nc3c2c(=O)[nH]c(=O)n3CC)[C@H](C)C1 ZINC001293377337 1065981813 /nfs/dbraw/zinc/98/18/13/1065981813.db2.gz SVDPFKWMSVEHKS-SJLPKXTDSA-N 1 0 459.591 2.507 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O ZINC001293376586 1065981968 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/nfs/dbraw/zinc/99/26/66/1065992666.db2.gz DBWPGKMNTIFZKV-NJYVYQBISA-N 1 0 482.695 2.502 20 0 JFADRO Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)COC2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC001293402628 1065995190 /nfs/dbraw/zinc/99/51/90/1065995190.db2.gz ZBKQXQCPHNWDFK-JOCHJYFZSA-N 1 0 459.612 2.550 20 0 JFADRO CC[C@@H]1CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCC[NH+]1CCOCC1 ZINC001293417332 1066000545 /nfs/dbraw/zinc/00/05/45/1066000545.db2.gz VLXMDBKZNAGZNX-OAQYLSRUSA-N 1 0 490.674 2.687 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001293457085 1066013766 /nfs/dbraw/zinc/01/37/66/1066013766.db2.gz SHRCZJWQDJOXJV-FBLLAGFSSA-N 1 0 462.683 2.829 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001293464236 1066016583 /nfs/dbraw/zinc/01/65/83/1066016583.db2.gz QLONHBKPYNFVTR-FDDCHVKYSA-N 1 0 492.715 2.869 20 0 JFADRO CC[C@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[N@H+](C)CCOC)C1 ZINC001293482019 1066020191 /nfs/dbraw/zinc/02/01/91/1066020191.db2.gz BPWBCMGTNRMGFT-PMACEKPBSA-N 1 0 480.654 2.791 20 0 JFADRO CCC1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)CCOC)CC1 ZINC001293486224 1066023666 /nfs/dbraw/zinc/02/36/66/1066023666.db2.gz XJQIWRUTBFKZLV-HXUWFJFHSA-N 1 0 480.654 2.791 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CCS1 ZINC001293504597 1066028440 /nfs/dbraw/zinc/02/84/40/1066028440.db2.gz BMBITRDKODTCHO-IBGZPJMESA-N 1 0 464.680 2.735 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CC[N@@H+]1CCOC ZINC001293505196 1066028777 /nfs/dbraw/zinc/02/87/77/1066028777.db2.gz FMWHQMDZMQUGHO-GOSISDBHSA-N 1 0 479.000 2.902 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001293505558 1066029189 /nfs/dbraw/zinc/02/91/89/1066029189.db2.gz HCSCKEYXQOXZIR-MJGOQNOKSA-N 1 0 475.663 2.630 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3[nH]c(C)cc3c2)CC[N@@H+]1CCOC ZINC001293506497 1066030443 /nfs/dbraw/zinc/03/04/43/1066030443.db2.gz DAAPIQXKPHOUIW-OAQYLSRUSA-N 1 0 467.618 2.801 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOc2cc(C)cc(C)c2)CC[N@@H+]1CCOC ZINC001293506698 1066030616 /nfs/dbraw/zinc/03/06/16/1066030616.db2.gz FQVSGXSBCQMNCP-QFIPXVFZSA-N 1 0 484.645 2.757 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCn2c3ccccc3[nH]c2=O)CC[N@@H+]1CCOC ZINC001293519876 1066041458 /nfs/dbraw/zinc/04/14/58/1066041458.db2.gz OJXSIPOXKBPMKH-GOSISDBHSA-N 1 0 455.607 2.878 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293524101 1066045307 /nfs/dbraw/zinc/04/53/07/1066045307.db2.gz KXZWMWLPFAHUQN-VAMGGRTRSA-N 1 0 477.581 2.520 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293524103 1066045721 /nfs/dbraw/zinc/04/57/21/1066045721.db2.gz KXZWMWLPFAHUQN-ZCNNSNEGSA-N 1 0 477.581 2.520 20 0 JFADRO CC[C@@H]1CN(c2nnc(C)n2Cc2ccc(OC)c(Br)c2)CC[N@@H+]1CCOC ZINC001293529318 1066049104 /nfs/dbraw/zinc/04/91/04/1066049104.db2.gz IJBKDYSRSAMVRF-QGZVFWFLSA-N 1 0 452.397 2.953 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001293531082 1066050996 /nfs/dbraw/zinc/05/09/96/1066050996.db2.gz KENUBWZSNZPEFQ-KNQAVFIVSA-N 1 0 471.593 2.911 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(CC)c2)CC[N@@H+]1CCOC ZINC001293537501 1066054726 /nfs/dbraw/zinc/05/47/26/1066054726.db2.gz NFWQPLDYKDVWHC-GOSISDBHSA-N 1 0 491.438 2.847 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCCN2CCOC2=O)CC[N@@H+]1CCOC ZINC001293540082 1066058300 /nfs/dbraw/zinc/05/83/00/1066058300.db2.gz LEYSJZYSYITLQD-HXUWFJFHSA-N 1 0 477.009 2.988 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)C[NH+]2CCOCC2)CCO1 ZINC001293542128 1066061968 /nfs/dbraw/zinc/06/19/68/1066061968.db2.gz RSIQDWFNIWXTTR-UYAOXDASSA-N 1 0 459.591 2.546 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293551046 1066066834 /nfs/dbraw/zinc/06/68/34/1066066834.db2.gz DPNAVIYMHAKLAY-NHCUHLMSSA-N 1 0 464.010 2.951 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)COC)CC[N@@H+]1CCOC ZINC001293556118 1066070275 /nfs/dbraw/zinc/07/02/75/1066070275.db2.gz HIBJJWJYPNELDN-HXUWFJFHSA-N 1 0 473.618 2.936 20 0 JFADRO C[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N(C(=O)OC(C)(C)C)C1CC1 ZINC001293558696 1066072447 /nfs/dbraw/zinc/07/24/47/1066072447.db2.gz SCPQGJLIWOUHFH-GOSISDBHSA-N 1 0 458.603 2.916 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC1 ZINC001293559059 1066073169 /nfs/dbraw/zinc/07/31/69/1066073169.db2.gz YZDOLRYQJMCFQK-NRFANRHFSA-N 1 0 458.603 2.822 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(O)(CC)CC)CC[N@@H+]1CCOC ZINC001293559120 1066073393 /nfs/dbraw/zinc/07/33/93/1066073393.db2.gz UDEFTCLMWRRGBT-HXUWFJFHSA-N 1 0 473.618 2.814 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC[N@@H+]1CCOC ZINC001293560124 1066074713 /nfs/dbraw/zinc/07/47/13/1066074713.db2.gz IGMZBACMOHXXRN-JTHBVZDNSA-N 1 0 454.619 2.751 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCC(=O)N(C)C)CC[N@@H+]1CCOC ZINC001293562530 1066075865 /nfs/dbraw/zinc/07/58/65/1066075865.db2.gz ULPCZEULPVKIGT-HXUWFJFHSA-N 1 0 465.602 2.519 20 0 JFADRO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC001293564311 1066076985 /nfs/dbraw/zinc/07/69/85/1066076985.db2.gz CLJQYWVQJVVTNE-UHFFFAOYSA-N 1 0 458.628 2.611 20 0 JFADRO Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC001293565918 1066078102 /nfs/dbraw/zinc/07/81/02/1066078102.db2.gz QCFIYXJVFLVKIX-UHFFFAOYSA-N 1 0 458.628 2.814 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001293566435 1066079838 /nfs/dbraw/zinc/07/98/38/1066079838.db2.gz FGVIAVCSOVMOFD-MSOLQXFVSA-N 1 0 465.545 2.925 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2snnc2C)CC[N@@H+]1CCOC ZINC001293568152 1066081097 /nfs/dbraw/zinc/08/10/97/1066081097.db2.gz 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CCCC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001293756389 1066236644 /nfs/dbraw/zinc/23/66/44/1066236644.db2.gz RBWRARQYFVFAER-FDFHNCONSA-N 1 0 487.693 2.654 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001293762703 1066248364 /nfs/dbraw/zinc/24/83/64/1066248364.db2.gz RACPGGLPDSVTGR-OAQYLSRUSA-N 1 0 487.693 2.911 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001293764015 1066250373 /nfs/dbraw/zinc/25/03/73/1066250373.db2.gz WSCSIALBDYUTOH-UHFFFAOYSA-N 1 0 473.666 2.521 20 0 JFADRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC001293766103 1066254776 /nfs/dbraw/zinc/25/47/76/1066254776.db2.gz DWFMPHJCBDAUCT-RUZDIDTESA-N 1 0 450.627 2.649 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001293773683 1066264139 /nfs/dbraw/zinc/26/41/39/1066264139.db2.gz JWLMPDVISPLZEK-HXUWFJFHSA-N 1 0 453.635 2.881 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001293775308 1066267730 /nfs/dbraw/zinc/26/77/30/1066267730.db2.gz UHHBYQHDUONZPR-FQEVSTJZSA-N 1 0 462.639 2.516 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)[NH+](CC)CC)CC1 ZINC001293775813 1066268614 /nfs/dbraw/zinc/26/86/14/1066268614.db2.gz XOSFLZAZABAACA-KRWDZBQOSA-N 1 0 473.622 2.621 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001293776164 1066269112 /nfs/dbraw/zinc/26/91/12/1066269112.db2.gz ZNRIGBFNVZAUET-AZUAARDMSA-N 1 0 458.607 2.953 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001293776167 1066269126 /nfs/dbraw/zinc/26/91/26/1066269126.db2.gz ZNRIGBFNVZAUET-UYAOXDASSA-N 1 0 458.607 2.953 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCCC2)C1 ZINC001293780985 1066276363 /nfs/dbraw/zinc/27/63/63/1066276363.db2.gz GRIXIALFPBCUTE-FQEVSTJZSA-N 1 0 475.682 2.814 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293785256 1066284361 /nfs/dbraw/zinc/28/43/61/1066284361.db2.gz MMXGROMBVLVSOU-MZNJEOGPSA-N 1 0 493.027 2.937 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293795891 1066303689 /nfs/dbraw/zinc/30/36/89/1066303689.db2.gz WTRJWCFXMCAILV-CJFMBICVSA-N 1 0 489.064 2.722 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001293795892 1066303767 /nfs/dbraw/zinc/30/37/67/1066303767.db2.gz WTRJWCFXMCAILV-CPJSRVTESA-N 1 0 489.064 2.722 20 0 JFADRO CCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001293798063 1066308712 /nfs/dbraw/zinc/30/87/12/1066308712.db2.gz OSOOORIHWBIIIE-CJFMBICVSA-N 1 0 454.619 2.776 20 0 JFADRO CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293798549 1066309822 /nfs/dbraw/zinc/30/98/22/1066309822.db2.gz SRWFPLAUHXRAPL-YIXXDRMTSA-N 1 0 497.688 2.915 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293817568 1066324409 /nfs/dbraw/zinc/32/44/09/1066324409.db2.gz ISCIPWINULAEFB-BWKNWUBXSA-N 1 0 455.651 2.804 20 0 JFADRO CCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001293835237 1066339933 /nfs/dbraw/zinc/33/99/33/1066339933.db2.gz LDBYYFQAJKCAFY-RUZDIDTESA-N 1 0 454.619 2.664 20 0 JFADRO CCC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001293840348 1066343824 /nfs/dbraw/zinc/34/38/24/1066343824.db2.gz YWLZAZYHMIUTJU-QHCPKHFHSA-N 1 0 457.648 2.927 20 0 JFADRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nn1-c1nc(C)cc(C)n1 ZINC001293845001 1066347805 /nfs/dbraw/zinc/34/78/05/1066347805.db2.gz GMFMNRNAKGCICV-UHFFFAOYSA-N 1 0 452.534 3.000 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001293861550 1066370251 /nfs/dbraw/zinc/37/02/51/1066370251.db2.gz UNLFNCNFMDJHAX-FQEVSTJZSA-N 1 0 450.624 2.567 20 0 JFADRO C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)[C@H]3c4ccccc4C(=O)OC3(C)C)CC2)CC1 ZINC001293861968 1066371143 /nfs/dbraw/zinc/37/11/43/1066371143.db2.gz VXHYQQJQWFBLRP-HSZRJFAPSA-N 1 0 455.599 2.901 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001293865422 1066375692 /nfs/dbraw/zinc/37/56/92/1066375692.db2.gz UEMHULIMDZUVMV-QZNHQXDQSA-N 1 0 495.672 2.882 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001293882875 1066388302 /nfs/dbraw/zinc/38/83/02/1066388302.db2.gz KLEVCPOMYHFHJH-BVZFJXPGSA-N 1 0 467.618 2.614 20 0 JFADRO COc1cc(CCc2cc(NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)n[nH]2)cc(OC)c1 ZINC001293886536 1066389659 /nfs/dbraw/zinc/38/96/59/1066389659.db2.gz IPGNQGXLCRHNJZ-VWLOTQADSA-N 1 0 450.539 2.788 20 0 JFADRO CNS(=O)(=O)c1cccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC001293910898 1066397241 /nfs/dbraw/zinc/39/72/41/1066397241.db2.gz CHMUAOPNCQNDJH-UHFFFAOYSA-N 1 0 451.976 2.521 20 0 JFADRO O=C(NC1CC[NH+](CCOc2ccc(Br)cc2)CC1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001293911484 1066397850 /nfs/dbraw/zinc/39/78/50/1066397850.db2.gz IGKODMKYGCNFLP-SJORKVTESA-N 1 0 481.309 2.755 20 0 JFADRO C[C@H](Sc1nnnn1C1CC1)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001293912921 1066398253 /nfs/dbraw/zinc/39/82/53/1066398253.db2.gz XYFUUCYOJCCTCE-AWEZNQCLSA-N 1 0 450.996 2.802 20 0 JFADRO C[C@@H](Sc1nnnn1C1CC1)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001293912922 1066398434 /nfs/dbraw/zinc/39/84/34/1066398434.db2.gz XYFUUCYOJCCTCE-CQSZACIVSA-N 1 0 450.996 2.802 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001293916661 1066399513 /nfs/dbraw/zinc/39/95/13/1066399513.db2.gz LQWZDMPCLSIRHJ-UNMCSNQZSA-N 1 0 453.635 2.672 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001293916660 1066399639 /nfs/dbraw/zinc/39/96/39/1066399639.db2.gz LQWZDMPCLSIRHJ-RBBKRZOGSA-N 1 0 453.635 2.672 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001293920384 1066400510 /nfs/dbraw/zinc/40/05/10/1066400510.db2.gz AOUQJAGAIZVDPW-KSZLIROESA-N 1 0 484.692 2.600 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001293920883 1066400625 /nfs/dbraw/zinc/40/06/25/1066400625.db2.gz BFNLBINQXZKENJ-ICSRJNTNSA-N 1 0 470.684 2.500 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001293920973 1066401679 /nfs/dbraw/zinc/40/16/79/1066401679.db2.gz BRXBVMJWSKUJII-NQIIRXRSSA-N 1 0 459.660 2.904 20 0 JFADRO COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c(OC)c1 ZINC001293924497 1066404965 /nfs/dbraw/zinc/40/49/65/1066404965.db2.gz JBZTXNRACRRIPF-QFIPXVFZSA-N 1 0 451.567 2.524 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[N@@H+]2CC)C1 ZINC001293933796 1066413461 /nfs/dbraw/zinc/41/34/61/1066413461.db2.gz TWTQKHCXYMFUKO-HBMCJLEFSA-N 1 0 473.666 2.520 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[N@@H+]2CC)C1 ZINC001293933800 1066413969 /nfs/dbraw/zinc/41/39/69/1066413969.db2.gz TWTQKHCXYMFUKO-PWRODBHTSA-N 1 0 473.666 2.520 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001293939436 1066424123 /nfs/dbraw/zinc/42/41/23/1066424123.db2.gz VZGXEGJJOJTECE-LEWJYISDSA-N 1 0 485.677 2.916 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001293948315 1066447094 /nfs/dbraw/zinc/44/70/94/1066447094.db2.gz YHARVQFQCPWYMR-HEKZAOSPSA-N 1 0 486.636 2.596 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1=O ZINC001293967949 1066467340 /nfs/dbraw/zinc/46/73/40/1066467340.db2.gz YWOYXEJMUWSHID-JFIYKMOQSA-N 1 0 452.393 2.665 20 0 JFADRO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001293990941 1066494469 /nfs/dbraw/zinc/49/44/69/1066494469.db2.gz BDDSZXUTANHOMI-RBUKOAKNSA-N 1 0 455.607 2.930 20 0 JFADRO C[NH+]1CCC(O)(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2Br)CC1 ZINC001293997760 1066500094 /nfs/dbraw/zinc/50/00/94/1066500094.db2.gz VZARKFVHNHIJAV-MRXNPFEDSA-N 1 0 456.381 2.588 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(n2)CCCC3)CC[N@@H+]1CCOC ZINC001294054328 1066525864 /nfs/dbraw/zinc/52/58/64/1066525864.db2.gz GPQNHMHZHXCCMF-JOCHJYFZSA-N 1 0 483.661 2.676 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC001294054617 1066526764 /nfs/dbraw/zinc/52/67/64/1066526764.db2.gz KLCFWJCOHRAOTA-JTHBVZDNSA-N 1 0 483.661 2.632 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC[N@@H+]1CCOC ZINC001294054765 1066527219 /nfs/dbraw/zinc/52/72/19/1066527219.db2.gz NJKRCANXOCNDKP-NHCUHLMSSA-N 1 0 484.645 2.920 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC[N@@H+]1CCOC ZINC001294059401 1066531875 /nfs/dbraw/zinc/53/18/75/1066531875.db2.gz YDSCICKWDQGBDT-LHQJTOJGSA-N 1 0 484.711 2.823 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C)n2Cc2ccnc(OC3CCOCC3)c2)CC[N@@H+]1CCOC ZINC001294062111 1066534091 /nfs/dbraw/zinc/53/40/91/1066534091.db2.gz UJKNDZPBQNABBU-OAQYLSRUSA-N 1 0 458.607 2.525 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294066386 1066536204 /nfs/dbraw/zinc/53/62/04/1066536204.db2.gz HSUJGIKOUOTVRO-UXHICEINSA-N 1 0 479.025 2.736 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294065908 1066536293 /nfs/dbraw/zinc/53/62/93/1066536293.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 1 0 456.635 2.603 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294066383 1066536365 /nfs/dbraw/zinc/53/63/65/1066536365.db2.gz HSUJGIKOUOTVRO-PMACEKPBSA-N 1 0 479.025 2.736 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294072668 1066542100 /nfs/dbraw/zinc/54/21/00/1066542100.db2.gz HTVXJNBBPDBOSF-NRFANRHFSA-N 1 0 465.602 2.507 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC[N@@H+]1CCOC ZINC001294073116 1066542602 /nfs/dbraw/zinc/54/26/02/1066542602.db2.gz KBHOWXSEDPDZGP-QFIPXVFZSA-N 1 0 477.613 2.685 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001294076806 1066545973 /nfs/dbraw/zinc/54/59/73/1066545973.db2.gz LISXMOOJQALOPQ-RTBURBONSA-N 1 0 450.534 2.701 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001294078064 1066548004 /nfs/dbraw/zinc/54/80/04/1066548004.db2.gz VKJPLQFAAIMWPR-BWKNWUBXSA-N 1 0 465.602 2.580 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001294082377 1066551329 /nfs/dbraw/zinc/55/13/29/1066551329.db2.gz QVSKTYLEGRRZHF-OTPAQWSUSA-N 1 0 475.634 2.837 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294082597 1066551891 /nfs/dbraw/zinc/55/18/91/1066551891.db2.gz MDXWMIUJKILHKV-HOTGVXAUSA-N 1 0 460.545 2.755 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC[N@@H+]1CCOC ZINC001294082972 1066552419 /nfs/dbraw/zinc/55/24/19/1066552419.db2.gz UJKMTNSUXJNHKD-DNVFCKCGSA-N 1 0 463.648 2.688 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@@H+]1CCOC ZINC001294086831 1066558335 /nfs/dbraw/zinc/55/83/35/1066558335.db2.gz YYNFMZIFZZSVBY-YLJYHZDGSA-N 1 0 491.036 2.877 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@@H+]1CCOC ZINC001294086828 1066558359 /nfs/dbraw/zinc/55/83/59/1066558359.db2.gz YYNFMZIFZZSVBY-FXAWDEMLSA-N 1 0 491.036 2.877 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC[N@@H+]1CCOC ZINC001294087543 1066559624 /nfs/dbraw/zinc/55/96/24/1066559624.db2.gz UEYKPINVXBJYOR-HBMCJLEFSA-N 1 0 451.656 2.855 20 0 JFADRO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC001294089536 1066560952 /nfs/dbraw/zinc/56/09/52/1066560952.db2.gz JVOAQTPYDHCCDE-FQEVSTJZSA-N 1 0 459.612 2.877 20 0 JFADRO 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CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)C2 ZINC001164435071 718969299 /nfs/dbraw/zinc/96/92/99/718969299.db2.gz YKCZGPLOTYIEJZ-HOTGVXAUSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C2 ZINC001164431672 718971072 /nfs/dbraw/zinc/97/10/72/718971072.db2.gz AITLTGAQBAQVFK-HZPDHXFCSA-N 1 0 454.827 2.685 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1ccc(C(N)=O)c(Cl)n1)C2 ZINC001164619398 719006889 /nfs/dbraw/zinc/00/68/89/719006889.db2.gz WBINWFVUQIPFMM-JLTOFOAXSA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)c(S(C)(=O)=O)c1)C2 ZINC001164620871 719011818 /nfs/dbraw/zinc/01/18/18/719011818.db2.gz ZSPKMEDYNTWZNK-OXQOHEQNSA-N 1 0 491.988 2.833 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(CN2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618267 719016924 /nfs/dbraw/zinc/01/69/24/719016924.db2.gz RSUQTNNATOUCPC-RYQLBKOJSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc4cc(OC(C)=O)c(OC(C)=O)cc43)CC2)CC1 ZINC001164618662 719029834 /nfs/dbraw/zinc/02/98/34/719029834.db2.gz ZLMJOWFCRUYFFP-UHFFFAOYSA-N 1 0 484.553 2.724 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nccc(Oc4ccc(S(C)(=O)=O)cc4)n3)CC2)CC1 ZINC001164616360 719030202 /nfs/dbraw/zinc/03/02/02/719030202.db2.gz BUZFEKIWIXNVJK-UHFFFAOYSA-N 1 0 488.610 2.916 20 0 JFADRO CCOC(=O)c1cnc(N2CCC([NH+]3CCC(C(=O)OCC)CC3)CC2)cc1C(=O)OCC ZINC001164617192 719035227 /nfs/dbraw/zinc/03/52/27/719035227.db2.gz JLNNPUBTXDLUMY-UHFFFAOYSA-N 1 0 461.559 2.679 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629584 719089944 /nfs/dbraw/zinc/08/99/44/719089944.db2.gz SRYDUWCHXBYGCW-RBBKRZOGSA-N 1 0 451.571 2.591 20 0 JFADRO COC(=O)[C@@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1 ZINC001164630234 719134054 /nfs/dbraw/zinc/13/40/54/719134054.db2.gz HVYNMSAOOXXZDH-AWEZNQCLSA-N 1 0 475.279 2.637 20 0 JFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164663434 719346000 /nfs/dbraw/zinc/34/60/00/719346000.db2.gz GTRYDFYSGUENIR-UHFFFAOYSA-N 1 0 472.641 2.923 20 0 JFADRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164658561 719351977 /nfs/dbraw/zinc/35/19/77/719351977.db2.gz JCKLRGLJYPJCMY-UHFFFAOYSA-N 1 0 485.636 2.822 20 0 JFADRO CN(C)c1nccc(N2CCOC[C@@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)n1 ZINC001164665354 719357057 /nfs/dbraw/zinc/35/70/57/719357057.db2.gz VBYHLTWNCYMHFW-AREMUKBSSA-N 1 0 481.645 2.536 20 0 JFADRO C[N@@H+]1CCO[C@@H]2CN(c3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164668229 719439504 /nfs/dbraw/zinc/43/95/04/719439504.db2.gz IVAZGFBACICQMV-WOJBJXKFSA-N 1 0 451.596 2.710 20 0 JFADRO O=S(=O)(c1ccccc1)N(c1ccc(CN2CCOCC2)cn1)[C@@H]1CCC12CC[NH2+]CC2 ZINC001164685841 719592203 /nfs/dbraw/zinc/59/22/03/719592203.db2.gz MTDXWJUWROYYRM-JOCHJYFZSA-N 1 0 456.612 2.641 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)c2ccccc21 ZINC001164685357 719658414 /nfs/dbraw/zinc/65/84/14/719658414.db2.gz ZIGCNLWPUXYKGK-SFHVURJKSA-N 1 0 470.017 2.927 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)ncc3C(N)=O)CC2)c2ccccc21 ZINC001164680252 719658733 /nfs/dbraw/zinc/65/87/33/719658733.db2.gz DPXDRNHGUHRNGN-QGZVFWFLSA-N 1 0 470.017 2.927 20 0 JFADRO COC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cc1OC ZINC001164681707 719659414 /nfs/dbraw/zinc/65/94/14/719659414.db2.gz QHAUKPYIXMNFHH-LJQANCHMSA-N 1 0 480.609 2.970 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3S(C)(=O)=O)CC2)c2ccccc21 ZINC001164680047 719663912 /nfs/dbraw/zinc/66/39/12/719663912.db2.gz CYAGDBCHOCUWCP-IBGZPJMESA-N 1 0 470.639 2.579 20 0 JFADRO CCOC(=O)c1nccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684477 719667962 /nfs/dbraw/zinc/66/79/62/719667962.db2.gz UGWFLECRVBNMQL-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4c3C(C)(C)C(=O)N4)CC2)c2ccccc21 ZINC001164681460 719676207 /nfs/dbraw/zinc/67/62/07/719676207.db2.gz KVEYDTGSWWOUQP-GOSISDBHSA-N 1 0 476.625 2.800 20 0 JFADRO CCNC(=O)c1cc(Cl)nc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164685699 719684508 /nfs/dbraw/zinc/68/45/08/719684508.db2.gz LUKXMHQVKRYUCT-SFHVURJKSA-N 1 0 499.059 2.973 20 0 JFADRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)CC2 ZINC001164689838 719735855 /nfs/dbraw/zinc/73/58/55/719735855.db2.gz LHGVURJICZXJDN-UHFFFAOYSA-N 1 0 450.921 2.918 20 0 JFADRO CN1CC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)COc2ccccc2S1(=O)=O ZINC001164691592 719779613 /nfs/dbraw/zinc/77/96/13/719779613.db2.gz OVKLFFQUEUVSAO-UHFFFAOYSA-N 1 0 456.612 2.977 20 0 JFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4c(n2)N2CCC[C@@H]2C(=O)N4C)CC3)cs1 ZINC001164692815 719808862 /nfs/dbraw/zinc/80/88/62/719808862.db2.gz NFBKLBLWSZVVEU-GOSISDBHSA-N 1 0 453.616 2.822 20 0 JFADRO O=C(Nc1cnccn1)[C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21 ZINC001164702782 719885570 /nfs/dbraw/zinc/88/55/70/719885570.db2.gz QCRLMCVNBFZTCP-KFKAGJAMSA-N 1 0 490.942 2.784 20 0 JFADRO Clc1ncc(N2CCOCC2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164699007 719893027 /nfs/dbraw/zinc/89/30/27/719893027.db2.gz VKMPZTWECBYWQS-UHFFFAOYSA-N 1 0 450.008 2.900 20 0 JFADRO CCO[C@@H]1CN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)[C@@H]2CCCO[C@@H]12 ZINC001164710730 720061868 /nfs/dbraw/zinc/06/18/68/720061868.db2.gz GFZKCIBPDWVBQH-ZHNGQKSSSA-N 1 0 460.619 2.653 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncnc(Cl)c1CC(=O)OC)CC2 ZINC001164716898 720110654 /nfs/dbraw/zinc/11/06/54/720110654.db2.gz LHQBMBHUOCRBEG-SFHVURJKSA-N 1 0 459.978 2.748 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1N1CCOCC1)CC2 ZINC001164719082 720119463 /nfs/dbraw/zinc/11/94/63/720119463.db2.gz VNICZRHGBCAVCH-FQEVSTJZSA-N 1 0 473.021 2.869 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CN3C(=O)CCC3=O)cn1)CC2 ZINC001164713568 720127979 /nfs/dbraw/zinc/12/79/79/720127979.db2.gz SBVGBEVWHFSJID-QFIPXVFZSA-N 1 0 463.582 2.633 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164713095 720131961 /nfs/dbraw/zinc/13/19/61/720131961.db2.gz QPIKOZNRJLZPDQ-NRFANRHFSA-N 1 0 453.587 2.926 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CN3C(=O)NC(C)(C)C3=O)cn1)CC2 ZINC001164710412 720144887 /nfs/dbraw/zinc/14/48/87/720144887.db2.gz AZVMKPGIBGRBQX-JOCHJYFZSA-N 1 0 492.624 2.815 20 0 JFADRO COCCOC(=O)c1ccnc(N2CCC3(C[C@H](COC)[N@H+](Cc4ccccn4)C3)CC2)c1 ZINC001164710844 720153370 /nfs/dbraw/zinc/15/33/70/720153370.db2.gz DTVPBLYFOHWLJW-JOCHJYFZSA-N 1 0 454.571 2.787 20 0 JFADRO CCOC(=O)c1sc2ncnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164712958 720165031 /nfs/dbraw/zinc/16/50/31/720165031.db2.gz IRVUNBGOVKRNOC-KRWDZBQOSA-N 1 0 485.614 2.521 20 0 JFADRO 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ZINC001164820166 720183720 /nfs/dbraw/zinc/18/37/20/720183720.db2.gz ZSDSTVKTMQTGLF-KCWPFWIISA-N 1 0 462.642 2.988 20 0 JFADRO COc1cc2nc(Cl)c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)nc2cc1OC ZINC001164719196 720183770 /nfs/dbraw/zinc/18/37/70/720183770.db2.gz UFMHYTIHNJSPEP-GOSISDBHSA-N 1 0 487.992 2.645 20 0 JFADRO COc1ccc2nc(Cl)cc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2n1 ZINC001164719883 720184742 /nfs/dbraw/zinc/18/47/42/720184742.db2.gz YAYTUIQBYRGXLI-SFHVURJKSA-N 1 0 457.966 2.637 20 0 JFADRO CCOC(=O)c1cc2ccccc2nc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716012 720189681 /nfs/dbraw/zinc/18/96/81/720189681.db2.gz OFCKZGXMNYWBPG-JOCHJYFZSA-N 1 0 464.570 2.756 20 0 JFADRO CN(C)c1ccc(-c2ccnc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)cc1 ZINC001164717163 720192789 /nfs/dbraw/zinc/19/27/89/720192789.db2.gz TWGDQNMSJOVROS-QHCPKHFHSA-N 1 0 462.602 2.554 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718170 720192958 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/nfs/dbraw/zinc/84/23/31/720842331.db2.gz RCKFTPOIBVRFAE-CTNGQTDRSA-N 1 0 458.990 2.839 20 0 JFADRO c1ncn(C[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164753606 720853390 /nfs/dbraw/zinc/85/33/90/720853390.db2.gz YQFMYUPPGLPOLV-AWRGLXIESA-N 1 0 456.598 2.998 20 0 JFADRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)CC[C@@H]2C1 ZINC001164858416 720864178 /nfs/dbraw/zinc/86/41/78/720864178.db2.gz SAHSMHODOZWAFV-DENIHFKCSA-N 1 0 474.627 2.511 20 0 JFADRO COCC[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)NCCSCc3ccco3)CC[C@H]2C1 ZINC001164858435 720864473 /nfs/dbraw/zinc/86/44/73/720864473.db2.gz SAHSMHODOZWAFV-UGKGYDQZSA-N 1 0 474.627 2.511 20 0 JFADRO NC(=O)c1cc(Cl)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755826 720874810 /nfs/dbraw/zinc/87/48/10/720874810.db2.gz ZBKBARBIOVOIGB-CYFREDJKSA-N 1 0 455.990 2.984 20 0 JFADRO CS(=O)(=O)c1c[n-]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164756016 720882873 /nfs/dbraw/zinc/88/28/73/720882873.db2.gz OCNXPTJFVPQAGH-CPJSRVTESA-N 1 0 496.637 2.512 20 0 JFADRO O=C1CCC(=O)N1Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164756320 720898227 /nfs/dbraw/zinc/89/82/27/720898227.db2.gz PSDCFZXNKJEYSS-UFHPHHKVSA-N 1 0 489.620 2.881 20 0 JFADRO COC(=O)c1cc2cnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2n1C ZINC001164753180 720907252 /nfs/dbraw/zinc/90/72/52/720907252.db2.gz QTIBFWKXSWQVJN-CUNXSJBXSA-N 1 0 490.608 2.905 20 0 JFADRO O=C(NC[C@@H]1OC[C@@H]2CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@H]21)c1ccno1 ZINC001164862985 720914386 /nfs/dbraw/zinc/91/43/86/720914386.db2.gz WTWMWHZADCEOGI-CVAIRZPRSA-N 1 0 493.942 2.916 20 0 JFADRO CON(C)C(=O)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754603 720923526 /nfs/dbraw/zinc/92/35/26/720923526.db2.gz WECYMQKSICEYQB-OZXSUGGESA-N 1 0 465.598 2.865 20 0 JFADRO NS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164752948 720925259 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20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164891985 721408075 /nfs/dbraw/zinc/40/80/75/721408075.db2.gz XTYFOUODWAGSFO-IERDGZPVSA-N 1 0 472.964 2.832 20 0 JFADRO CCOC(=O)c1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C ZINC001164892900 721409438 /nfs/dbraw/zinc/40/94/38/721409438.db2.gz ZBDRHQNWQZKFEY-MBSDFSHPSA-N 1 0 451.011 2.986 20 0 JFADRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)C3)O2)CC1 ZINC001164892573 721410072 /nfs/dbraw/zinc/41/00/72/721410072.db2.gz YWJMRATYNYXHAJ-XLNZFTOWSA-N 1 0 490.052 2.944 20 0 JFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892427 721411708 /nfs/dbraw/zinc/41/17/08/721411708.db2.gz YDSKEUHFFZSEOB-CPJSRVTESA-N 1 0 453.587 2.572 20 0 JFADRO CCOC(=O)c1ccc2ncnc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c2c1 ZINC001164892431 721412228 /nfs/dbraw/zinc/41/22/28/721412228.db2.gz YDSKEUHFFZSEOB-NLFFAJNJSA-N 1 0 453.587 2.572 20 0 JFADRO 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CCNS(=O)(=O)c1cccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907018 721712254 /nfs/dbraw/zinc/71/22/54/721712254.db2.gz PKQHGBWHWSFHLM-HXUWFJFHSA-N 1 0 451.543 2.513 20 0 JFADRO COC(=O)c1cc2cnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2n1C ZINC001164906233 721721409 /nfs/dbraw/zinc/72/14/09/721721409.db2.gz LKZZPDGYCPJEIJ-JOCHJYFZSA-N 1 0 456.497 2.888 20 0 JFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)CC1 ZINC001165011603 721737401 /nfs/dbraw/zinc/73/74/01/721737401.db2.gz SHRNNMNTDRXQLN-QGZVFWFLSA-N 1 0 461.998 2.702 20 0 JFADRO O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]12 ZINC001165013674 721754031 /nfs/dbraw/zinc/75/40/31/721754031.db2.gz QBUROEOCJUWRGJ-SGNDLWITSA-N 1 0 479.625 2.542 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015563 721766155 /nfs/dbraw/zinc/76/61/55/721766155.db2.gz RAOUVATZEPFIEA-JOCHJYFZSA-N 1 0 476.629 2.941 20 0 JFADRO 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Cn1ccnc1C(=O)N[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164982374 722092621 /nfs/dbraw/zinc/09/26/21/722092621.db2.gz QAFNJXHZCMRILJ-GIFXNVAJSA-N 1 0 472.593 2.540 20 0 JFADRO c1cc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980699 722105267 /nfs/dbraw/zinc/10/52/67/722105267.db2.gz JYDSZVHWVMTBDF-PZJWPPBQSA-N 1 0 466.611 2.650 20 0 JFADRO CC(C)(C)C(=O)Nc1ccc(CO)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980300 722133613 /nfs/dbraw/zinc/13/36/13/722133613.db2.gz MPLCKHQILDRGBQ-DENIHFKCSA-N 1 0 453.587 2.681 20 0 JFADRO CS(=O)(=O)c1ccc(Oc2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)cc1 ZINC001164983778 722134966 /nfs/dbraw/zinc/13/49/66/722134966.db2.gz UURUVPIHAMPOFX-REWPJTCUSA-N 1 0 495.605 2.795 20 0 JFADRO c1ccc(N2CCN(c3ccc(N4CC[C@@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)nn3)CC2)cc1 ZINC001164984234 722142559 /nfs/dbraw/zinc/14/25/59/722142559.db2.gz WPCCQCGWGLCOCU-RSXGOPAZSA-N 1 0 485.636 2.926 20 0 JFADRO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164976073 722144168 /nfs/dbraw/zinc/14/41/68/722144168.db2.gz GZEWJAAICWPOKU-IFMALSPDSA-N 1 0 473.643 2.671 20 0 JFADRO Clc1nnc(Cl)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1N1CCOCC1 ZINC001164973182 722158629 /nfs/dbraw/zinc/15/86/29/722158629.db2.gz LRJHFYDLCRUHRF-ROUUACIJSA-N 1 0 479.412 2.742 20 0 JFADRO c1ccc(C[N@@H+]2CCc3nc(N4CCO[C@]5(C4)COCCN(c4ncccn4)C5)ccc3C2)cc1 ZINC001165005909 722246481 /nfs/dbraw/zinc/24/64/81/722246481.db2.gz VWXKFQXDPAVDSC-MHZLTWQESA-N 1 0 472.593 2.542 20 0 JFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001165002488 722247591 /nfs/dbraw/zinc/24/75/91/722247591.db2.gz ZBGNKQTVGIINIP-QFIPXVFZSA-N 1 0 492.958 2.559 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1ccc3ncnc(Cl)c3n1)CCC2 ZINC001165002320 722254885 /nfs/dbraw/zinc/25/48/85/722254885.db2.gz NPUHLJXPKMPJOS-UHFFFAOYSA-N 1 0 451.909 2.908 20 0 JFADRO COC(=O)c1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c2ccccc2c1OC ZINC001165003382 722257482 /nfs/dbraw/zinc/25/74/82/722257482.db2.gz BBFWSXCLDGKASM-UHFFFAOYSA-N 1 0 453.543 2.715 20 0 JFADRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 ZINC001263297580 1059476053 /nfs/dbraw/zinc/47/60/53/1059476053.db2.gz UJJAMBWDNTZHNN-HKUYNNGSSA-N 1 0 489.432 2.502 20 0 JFADRO COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CC[NH+](CC(C)C)CC2)CCOCC1 ZINC001299740037 1059484459 /nfs/dbraw/zinc/48/44/59/1059484459.db2.gz KCGIAARNSFCXMQ-GOSISDBHSA-N 1 0 457.566 2.739 20 0 JFADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381055284 1059490473 /nfs/dbraw/zinc/49/04/73/1059490473.db2.gz SRHSSCSVDGJHEW-MSOLQXFVSA-N 1 0 454.612 2.691 20 0 JFADRO C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001299740756 1059495040 /nfs/dbraw/zinc/49/50/40/1059495040.db2.gz JVYGIXKSAAPZOG-RTBURBONSA-N 1 0 451.567 2.877 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001299740851 1059496405 /nfs/dbraw/zinc/49/64/05/1059496405.db2.gz VCZYTFHVTVBZLK-AREMUKBSSA-N 1 0 484.645 2.945 20 0 JFADRO COC1(C(F)(F)Cn2c([C@H]3CCCO3)nnc2N2CCC([NH2+]C(C)C)CC2)CCOCC1 ZINC001299741120 1059500125 /nfs/dbraw/zinc/50/01/25/1059500125.db2.gz YBMOZYJLDDGDIH-GOSISDBHSA-N 1 0 457.566 2.927 20 0 JFADRO CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C34CCC[NH+]3CCC4)C2=O)cc1OC ZINC001264151092 1059529090 /nfs/dbraw/zinc/52/90/90/1059529090.db2.gz NSDMAXRBQRWXDI-XDJHFCHBSA-N 1 0 459.568 2.875 20 0 JFADRO O=S(=O)(CC1CC[NH2+]CC1)Nc1ccc(I)cc1Br ZINC000388347895 1059600537 /nfs/dbraw/zinc/60/05/37/1059600537.db2.gz DCVUZLPYWWYZLZ-UHFFFAOYSA-N 1 0 459.147 2.795 20 0 JFADRO O=C(c1scnc1Br)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001264831859 1059698654 /nfs/dbraw/zinc/69/86/54/1059698654.db2.gz NAEDWWMXDHFJDT-HNNXBMFYSA-N 1 0 450.406 2.975 20 0 JFADRO COCCOCc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001264832116 1059700043 /nfs/dbraw/zinc/70/00/43/1059700043.db2.gz WDJJNSMCQUGTSE-QHCPKHFHSA-N 1 0 452.599 2.919 20 0 JFADRO Cc1cc(Cn2nnc(C(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)c2C)no1 ZINC001264892575 1059719690 /nfs/dbraw/zinc/71/96/90/1059719690.db2.gz SPLMOVFNKQJJFR-UHFFFAOYSA-N 1 0 451.531 2.998 20 0 JFADRO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001264960859 1059740462 /nfs/dbraw/zinc/74/04/62/1059740462.db2.gz FVQPMSALEZYMNP-LJQANCHMSA-N 1 0 451.995 2.906 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001265048763 1059756698 /nfs/dbraw/zinc/75/66/98/1059756698.db2.gz HQXFPGRKUURZSW-RUZDIDTESA-N 1 0 454.546 2.805 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001265048764 1059757236 /nfs/dbraw/zinc/75/72/36/1059757236.db2.gz HQXFPGRKUURZSW-VWLOTQADSA-N 1 0 454.546 2.805 20 0 JFADRO Cc1nc2cc(F)c(F)cc2n1CC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001265064051 1059760207 /nfs/dbraw/zinc/76/02/07/1059760207.db2.gz VSFSJMOCABTWHR-SFHVURJKSA-N 1 0 455.509 2.637 20 0 JFADRO C[C@H]1Cc2cc(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)ccc2N1S(C)(=O)=O ZINC001265126643 1059774032 /nfs/dbraw/zinc/77/40/32/1059774032.db2.gz IOWKDSSGXMKPLT-KRWDZBQOSA-N 1 0 451.658 2.879 20 0 JFADRO CC[C@@H](Sc1nc(CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cs1)C(N)=O ZINC001265127057 1059774282 /nfs/dbraw/zinc/77/42/82/1059774282.db2.gz SHSOCCRFNSCQSP-MRXNPFEDSA-N 1 0 456.703 2.910 20 0 JFADRO CC(C)(C)OC(=O)Nc1cnc(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cn1 ZINC001265131670 1059774683 /nfs/dbraw/zinc/77/46/83/1059774683.db2.gz HOIUXKORIRXPDA-UHFFFAOYSA-N 1 0 454.531 2.902 20 0 JFADRO CC(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)Oc2ccccc21 ZINC001265247641 1059805756 /nfs/dbraw/zinc/80/57/56/1059805756.db2.gz PALQDRQWCGSUSK-NFBKMPQASA-N 1 0 450.539 2.605 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001265247169 1059806238 /nfs/dbraw/zinc/80/62/38/1059806238.db2.gz LPEQLLWMIYWCPW-UNMCSNQZSA-N 1 0 455.603 2.719 20 0 JFADRO CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC001265498303 1059872868 /nfs/dbraw/zinc/87/28/68/1059872868.db2.gz VDAABIWKXBKHOL-FPOVZHCZSA-N 1 0 458.603 2.750 20 0 JFADRO C[NH+](C)CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CCCC1 ZINC001265738147 1059918529 /nfs/dbraw/zinc/91/85/29/1059918529.db2.gz NUUGBUXSPXYNPA-UHFFFAOYSA-N 1 0 453.513 2.692 20 0 JFADRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1S(=O)(=O)N1CCCC1 ZINC001265755680 1059921054 /nfs/dbraw/zinc/92/10/54/1059921054.db2.gz DRYDKYNPBNJBGL-UHFFFAOYSA-N 1 0 451.614 2.745 20 0 JFADRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000616159180 1059921286 /nfs/dbraw/zinc/92/12/86/1059921286.db2.gz MZCGHVBIBVRELV-JOCHJYFZSA-N 1 0 458.553 2.648 20 0 JFADRO CC(C)N1C(=O)c2ccc(C(=O)N(C)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2S1(=O)=O ZINC001265829028 1059931064 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ROSVZYRQXDCJGV-UHFFFAOYSA-N 1 0 460.667 2.693 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286843828 1061125607 /nfs/dbraw/zinc/12/56/07/1061125607.db2.gz AJXHSPHSJLELDM-HXUWFJFHSA-N 1 0 470.618 2.751 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001286844630 1061135026 /nfs/dbraw/zinc/13/50/26/1061135026.db2.gz CBLMEEJCNDVGNP-RBUKOAKNSA-N 1 0 496.641 2.594 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(Cl)nc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286846286 1061148199 /nfs/dbraw/zinc/14/81/99/1061148199.db2.gz XRDZDLKDPSGOBU-WSTZPKSXSA-N 1 0 490.052 2.797 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001286850629 1061179418 /nfs/dbraw/zinc/17/94/18/1061179418.db2.gz HQHKHBTYQXVRTF-CQOQZXRMSA-N 1 0 482.673 2.981 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001286850626 1061179536 /nfs/dbraw/zinc/17/95/36/1061179536.db2.gz HQHKHBTYQXVRTF-AOHZBQACSA-N 1 0 482.673 2.981 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2CC2([NH+](C)C)CCC2)C1 ZINC001286852562 1061191132 /nfs/dbraw/zinc/19/11/32/1061191132.db2.gz SFDIRPNKJXRPRF-SFHVURJKSA-N 1 0 460.573 2.936 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001286852969 1061192995 /nfs/dbraw/zinc/19/29/95/1061192995.db2.gz VWNOFVYYKYWJTK-AEFFLSMTSA-N 1 0 460.573 2.934 20 0 JFADRO CC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC001286853898 1061201279 /nfs/dbraw/zinc/20/12/79/1061201279.db2.gz GOODOVYDJZXXDC-QHCPKHFHSA-N 1 0 454.619 2.516 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001286853918 1061201327 /nfs/dbraw/zinc/20/13/27/1061201327.db2.gz HBHTVSLCYQXAQM-JHMKDJTOSA-N 1 0 460.667 2.984 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001286853919 1061201467 /nfs/dbraw/zinc/20/14/67/1061201467.db2.gz HBHTVSLCYQXAQM-RGMHLJPOSA-N 1 0 460.667 2.984 20 0 JFADRO CC(=O)N1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCCCC2)CC1 ZINC001286860921 1061229225 /nfs/dbraw/zinc/22/92/25/1061229225.db2.gz CXRNAJOMRUKKOZ-UHFFFAOYSA-N 1 0 464.412 2.580 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC001289586312 1061230600 /nfs/dbraw/zinc/23/06/00/1061230600.db2.gz DDPGRGCXPOFXKA-NRFANRHFSA-N 1 0 487.626 2.849 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)o1 ZINC001289587105 1061231088 /nfs/dbraw/zinc/23/10/88/1061231088.db2.gz VWYYPWIOQLLMJU-CMKODMSKSA-N 1 0 478.663 2.733 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001289587182 1061231653 /nfs/dbraw/zinc/23/16/53/1061231653.db2.gz WOAFFEGQBRLEBI-SFTDATJTSA-N 1 0 472.634 2.944 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC001289587283 1061232476 /nfs/dbraw/zinc/23/24/76/1061232476.db2.gz XHKUCJUCKWHLJO-MJGOQNOKSA-N 1 0 492.671 2.977 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)o1 ZINC001289593946 1061236026 /nfs/dbraw/zinc/23/60/26/1061236026.db2.gz JMSMOVSCLUBZKA-HXUWFJFHSA-N 1 0 458.607 2.508 20 0 JFADRO CC(=O)N1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001286862887 1061236944 /nfs/dbraw/zinc/23/69/44/1061236944.db2.gz SFYZANUYRQTNKU-FGZHOGPDSA-N 1 0 460.667 2.674 20 0 JFADRO CC(=O)N1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001286862857 1061237105 /nfs/dbraw/zinc/23/71/05/1061237105.db2.gz SAMZTYIGHOOMMB-QFIPXVFZSA-N 1 0 460.667 2.674 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)o1 ZINC001289595175 1061237994 /nfs/dbraw/zinc/23/79/94/1061237994.db2.gz XXDQHDGQHSHLGQ-NIYFSFCBSA-N 1 0 499.660 2.530 20 0 JFADRO CC(=O)N1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001286863193 1061238441 /nfs/dbraw/zinc/23/84/41/1061238441.db2.gz XENIMDMEVWMYJK-UHFFFAOYSA-N 1 0 468.646 2.639 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN([C@@H](C(N)=O)c4ccccc4)CC3)n2CCC[N@@H+](C)C(C)C)o1 ZINC001289595597 1061238624 /nfs/dbraw/zinc/23/86/24/1061238624.db2.gz NXEFLULUIQAGLR-HSZRJFAPSA-N 1 0 479.629 2.925 20 0 JFADRO Cc1ccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC001289600779 1061245255 /nfs/dbraw/zinc/24/52/55/1061245255.db2.gz QRROVRDXXWLIAD-FQEVSTJZSA-N 1 0 458.607 2.652 20 0 JFADRO CC(=O)N1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286866135 1061247340 /nfs/dbraw/zinc/24/73/40/1061247340.db2.gz YCAWHLFIVXVVAF-LJQANCHMSA-N 1 0 480.617 2.629 20 0 JFADRO CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001286867309 1061252274 /nfs/dbraw/zinc/25/22/74/1061252274.db2.gz NACBMOGIZUKTJV-LJQANCHMSA-N 1 0 490.612 2.723 20 0 JFADRO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC001286867664 1061253807 /nfs/dbraw/zinc/25/38/07/1061253807.db2.gz SVZYLSYDVDMXMZ-YZUZCNPQSA-N 1 0 495.672 2.774 20 0 JFADRO CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC001286867662 1061253901 /nfs/dbraw/zinc/25/39/01/1061253901.db2.gz SVZYLSYDVDMXMZ-AWRGLXIESA-N 1 0 495.672 2.774 20 0 JFADRO CC(=O)N1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286867683 1061253932 /nfs/dbraw/zinc/25/39/32/1061253932.db2.gz BSVWSGWWSUTLCU-UHFFFAOYSA-N 1 0 484.645 2.645 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCOc3cc(C)cc(C)c3)C[C@H]2C)CC1 ZINC001286868467 1061257337 /nfs/dbraw/zinc/25/73/37/1061257337.db2.gz AISQVDFVZKWLGA-HYBUGGRVSA-N 1 0 454.619 2.661 20 0 JFADRO CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286869187 1061260623 /nfs/dbraw/zinc/26/06/23/1061260623.db2.gz RSCIUKVLZITAAQ-NHCUHLMSSA-N 1 0 453.635 2.691 20 0 JFADRO CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286869188 1061261062 /nfs/dbraw/zinc/26/10/62/1061261062.db2.gz RSCIUKVLZITAAQ-OYRHEFFESA-N 1 0 453.635 2.691 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[S@](=O)C(C)(C)C)C[C@@H]2C)CC1 ZINC001286869457 1061261884 /nfs/dbraw/zinc/26/18/84/1061261884.db2.gz FAYHULUYWFRUMU-WUWPSDSASA-N 1 0 492.734 2.862 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286870277 1061264427 /nfs/dbraw/zinc/26/44/27/1061264427.db2.gz INKOBRQZTYOKER-URXFXBBRSA-N 1 0 485.677 2.725 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001286870488 1061266074 /nfs/dbraw/zinc/26/60/74/1061266074.db2.gz IPPCZPOCXWOCPS-ZJSXRUAMSA-N 1 0 495.672 2.547 20 0 JFADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001289634322 1061266968 /nfs/dbraw/zinc/26/69/68/1061266968.db2.gz CWPSQBFHKQICQK-RDJZCZTQSA-N 1 0 454.666 2.627 20 0 JFADRO Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCC[C@H](C)C2)s1 ZINC001289634320 1061267009 /nfs/dbraw/zinc/26/70/09/1061267009.db2.gz CWPSQBFHKQICQK-DOTOQJQBSA-N 1 0 454.666 2.627 20 0 JFADRO Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC001289634373 1061267575 /nfs/dbraw/zinc/26/75/75/1061267575.db2.gz FEFNXIUOWBWOBC-OXJNMPFZSA-N 1 0 478.594 2.868 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCn3cc(Cl)cn3)C[C@@H]2C)CC1 ZINC001286870818 1061268102 /nfs/dbraw/zinc/26/81/02/1061268102.db2.gz KNCBXTSSONRKQR-FXAWDEMLSA-N 1 0 477.057 2.505 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc([C@H]4CCCO4)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286870891 1061268825 /nfs/dbraw/zinc/26/88/25/1061268825.db2.gz LMQYRHWLEZJRGA-ACIOBRDBSA-N 1 0 476.666 2.571 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCC3CCCC3)C[C@@H]2C)CC1 ZINC001286871722 1061275056 /nfs/dbraw/zinc/27/50/56/1061275056.db2.gz PHVKVIHIPRBNJP-NZQKXSOJSA-N 1 0 487.693 2.766 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccc(C)o4)n3CCCOCC(F)F)C[C@H]2C)CC1 ZINC001286872145 1061276721 /nfs/dbraw/zinc/27/67/21/1061276721.db2.gz SITBMRXEDXFZIT-YLJYHZDGSA-N 1 0 494.587 2.897 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@H]2C)CC1 ZINC001286872176 1061277132 /nfs/dbraw/zinc/27/71/32/1061277132.db2.gz SVIDOTXBKIMTNZ-QPPBQGQZSA-N 1 0 485.677 2.725 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCCOCC(C)C)C[C@@H]2C)CC1 ZINC001286872177 1061277436 /nfs/dbraw/zinc/27/74/36/1061277436.db2.gz SVIDOTXBKIMTNZ-URXFXBBRSA-N 1 0 485.677 2.725 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCOc3ccccc3Cl)C[C@@H]2C)CC1 ZINC001286872358 1061277846 /nfs/dbraw/zinc/27/78/46/1061277846.db2.gz UQCPGPWYUJLWMP-LAUBAEHRSA-N 1 0 461.010 2.698 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccnc3)C[C@@H]2C)CC1 ZINC001286872373 1061278168 /nfs/dbraw/zinc/27/81/68/1061278168.db2.gz UYFVKNMTXBDGCZ-UGKGYDQZSA-N 1 0 453.635 2.592 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CCCCc3nc(C)cs3)C[C@H]2C)CC1 ZINC001286872722 1061280057 /nfs/dbraw/zinc/28/00/57/1061280057.db2.gz XFYUPFWGTLESQA-DYESRHJHSA-N 1 0 459.664 2.753 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C4CC4)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001286872738 1061280768 /nfs/dbraw/zinc/28/07/68/1061280768.db2.gz XGNWZGQTNOORQU-REWPJTCUSA-N 1 0 460.667 2.987 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@](C)(O)c3ccsc3)C[C@H]2C)CC1 ZINC001286872765 1061280841 /nfs/dbraw/zinc/28/08/41/1061280841.db2.gz XQVYOALHGMXOHD-OPJGWUQDSA-N 1 0 488.702 2.825 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286873016 1061283721 /nfs/dbraw/zinc/28/37/21/1061283721.db2.gz WAWCRDDMUNKJIM-AQNXPRMDSA-N 1 0 488.608 2.725 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001286873281 1061285254 /nfs/dbraw/zinc/28/52/54/1061285254.db2.gz DXDDMPFAGOWUPV-INIZCTEOSA-N 1 0 478.439 2.589 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286873392 1061286305 /nfs/dbraw/zinc/28/63/05/1061286305.db2.gz ZNIATKMTGIEYEI-WXVAWEFUSA-N 1 0 498.672 2.898 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC001286874634 1061290040 /nfs/dbraw/zinc/29/00/40/1061290040.db2.gz AHTPODJCUOGHPX-UXHICEINSA-N 1 0 464.618 2.646 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001286875925 1061292495 /nfs/dbraw/zinc/29/24/95/1061292495.db2.gz ZCKMOEYCTKLPQV-UHFFFAOYSA-N 1 0 478.439 2.826 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccccc2OCC[NH+](C)C)[C@@H](C)C1 ZINC001286877944 1061296420 /nfs/dbraw/zinc/29/64/20/1061296420.db2.gz UGOJYYLVXIKKSJ-SFHVURJKSA-N 1 0 466.586 2.892 20 0 JFADRO Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)c(=O)n1C ZINC001289688503 1061300728 /nfs/dbraw/zinc/30/07/28/1061300728.db2.gz XZIQXYHQWUGOSE-UHFFFAOYSA-N 1 0 463.630 2.876 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC001286880726 1061304752 /nfs/dbraw/zinc/30/47/52/1061304752.db2.gz TXCAIZCLHXSXOV-UEVCKROQSA-N 1 0 454.619 2.840 20 0 JFADRO Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[NH+](CC(C)C)CC2)c(=O)n1C ZINC001289695165 1061308181 /nfs/dbraw/zinc/30/81/81/1061308181.db2.gz RSFVJHOJBNIUQU-UHFFFAOYSA-N 1 0 468.577 2.830 20 0 JFADRO CC(=O)N1CCN(c2nnc(CC(C)C)n2CC2(C[NH+]3CCOCC3)CCCCC2)[C@@H](C)C1 ZINC001286882050 1061308767 /nfs/dbraw/zinc/30/87/67/1061308767.db2.gz ZZTDZWFBLQFOKH-NRFANRHFSA-N 1 0 460.667 2.816 20 0 JFADRO Cc1ccc(Cn2c(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)nnc2C(C)(C)C)c(=O)n1C ZINC001289698714 1061309565 /nfs/dbraw/zinc/30/95/65/1061309565.db2.gz RTPPSBLXICPCIJ-OYRHEFFESA-N 1 0 469.678 2.626 20 0 JFADRO Cc1ccc(Cn2c(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)c(=O)n1C ZINC001289698981 1061310095 /nfs/dbraw/zinc/31/00/95/1061310095.db2.gz XTSQXEYRFOUPRE-UHFFFAOYSA-N 1 0 469.678 2.626 20 0 JFADRO Cc1ccc(CNC(=O)C2CCN(c3nnc([C@H]4CCCOC4)n3C[C@H](C)[NH+](C)C)CC2)cc1 ZINC001289700336 1061311701 /nfs/dbraw/zinc/31/17/01/1061311701.db2.gz GPEFKKVTUTWTCM-REWPJTCUSA-N 1 0 468.646 2.963 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001286883052 1061312937 /nfs/dbraw/zinc/31/29/37/1061312937.db2.gz NDDDVKSGAGTHOA-SFHVURJKSA-N 1 0 460.573 2.936 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC001286883937 1061316220 /nfs/dbraw/zinc/31/62/20/1061316220.db2.gz MYLOPBAHHYISIC-UHFFFAOYSA-N 1 0 453.635 2.691 20 0 JFADRO CC(=O)N1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCCOC(C)C)[C@@H](C)C1 ZINC001286884055 1061316792 /nfs/dbraw/zinc/31/67/92/1061316792.db2.gz BMOPMSBPYQNHPZ-QHCPKHFHSA-N 1 0 497.688 2.515 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)C1 ZINC001286884507 1061319287 /nfs/dbraw/zinc/31/92/87/1061319287.db2.gz QETADUKFSFNILG-OAQYLSRUSA-N 1 0 491.640 2.700 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001286884935 1061321369 /nfs/dbraw/zinc/32/13/69/1061321369.db2.gz RNCKJBZJEHGTPD-UHFFFAOYSA-N 1 0 461.614 2.821 20 0 JFADRO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC001286885642 1061324202 /nfs/dbraw/zinc/32/42/02/1061324202.db2.gz MDEMBNAWIQVJSF-PMACEKPBSA-N 1 0 481.645 2.587 20 0 JFADRO Cc1ccc(N2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2=O)cc1 ZINC001289719401 1061325827 /nfs/dbraw/zinc/32/58/27/1061325827.db2.gz HKAASQVQSUQCIZ-HXUWFJFHSA-N 1 0 454.619 2.922 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001289721304 1061327625 /nfs/dbraw/zinc/32/76/25/1061327625.db2.gz IDPNEQGEKRIQIL-OAQYLSRUSA-N 1 0 470.618 2.608 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286886374 1061328781 /nfs/dbraw/zinc/32/87/81/1061328781.db2.gz ZUBGJBSAGDZNNE-QFIPXVFZSA-N 1 0 484.645 2.643 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886555 1061329276 /nfs/dbraw/zinc/32/92/76/1061329276.db2.gz FRWJHZKDYDFJFN-IFMALSPDSA-N 1 0 473.710 2.829 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886599 1061329854 /nfs/dbraw/zinc/32/98/54/1061329854.db2.gz GBYSLMGQRILRHK-HUVFLSCGSA-N 1 0 473.710 2.901 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886706 1061330842 /nfs/dbraw/zinc/33/08/42/1061330842.db2.gz HRVPQSJDUDYGBO-PPJWLVRDSA-N 1 0 495.716 2.986 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C4CCOCC4)C3)n2CCOCC[NH+](C)C)cc1C ZINC001289732719 1061342771 /nfs/dbraw/zinc/34/27/71/1061342771.db2.gz JZLVETKARLLNSS-QFIPXVFZSA-N 1 0 484.645 2.978 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001289734657 1061344811 /nfs/dbraw/zinc/34/48/11/1061344811.db2.gz AMIKZUXWKAQYEH-UHFFFAOYSA-N 1 0 469.634 2.982 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(F)cc3)n2CC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001286889018 1061344813 /nfs/dbraw/zinc/34/48/13/1061344813.db2.gz RHGTVGAMSSDQDD-IBGZPJMESA-N 1 0 458.582 2.785 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC4(CCN(C)C4=O)CC3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289734864 1061345596 /nfs/dbraw/zinc/34/55/96/1061345596.db2.gz DDRYUDNWZWKFSK-UHFFFAOYSA-N 1 0 481.645 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)cc1C ZINC001289737412 1061349607 /nfs/dbraw/zinc/34/96/07/1061349607.db2.gz FCJBDIRYUYWTTK-PXNSSMCTSA-N 1 0 467.618 2.581 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CCS(C)(=O)=O)cc1C ZINC001289739115 1061352857 /nfs/dbraw/zinc/35/28/57/1061352857.db2.gz HTJZOBFEOHSRFG-KRWDZBQOSA-N 1 0 488.658 2.502 20 0 JFADRO CN(C)S(=O)(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]3C2)ccc1Br ZINC001289740669 1061355144 /nfs/dbraw/zinc/35/51/44/1061355144.db2.gz PHQZVUUOFITHQE-OWCLPIDISA-N 1 0 458.422 2.502 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC001289742490 1061357731 /nfs/dbraw/zinc/35/77/31/1061357731.db2.gz AMKMFWZJTJXXLA-LJQANCHMSA-N 1 0 481.645 2.986 20 0 JFADRO CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001286891317 1061359863 /nfs/dbraw/zinc/35/98/63/1061359863.db2.gz XSUUQTBFLMFDKT-UHFFFAOYSA-N 1 0 487.718 2.651 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCCn2ccnn2)cc1C ZINC001289744585 1061362605 /nfs/dbraw/zinc/36/26/05/1061362605.db2.gz ZQKPCWQCBLLOQM-UHFFFAOYSA-N 1 0 465.606 2.607 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-c4cnccn4)n3CC[N@@H+](C)C(C)C)C2)nc1 ZINC001289747102 1061365587 /nfs/dbraw/zinc/36/55/87/1061365587.db2.gz GNFFDAOHLLJWET-IBGZPJMESA-N 1 0 463.590 2.634 20 0 JFADRO Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3CCOCC[NH+](C)C)C2)nc1 ZINC001289747471 1061366463 /nfs/dbraw/zinc/36/64/63/1061366463.db2.gz IPGLXPZQHUILAR-SFTDATJTSA-N 1 0 485.633 2.656 20 0 JFADRO Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@@H+](C)C(C)C)C2)nc1 ZINC001289748377 1061369273 /nfs/dbraw/zinc/36/92/73/1061369273.db2.gz QIVQICOTELEZIZ-UXHICEINSA-N 1 0 482.633 2.518 20 0 JFADRO Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nnc(C(=O)N4CCCC4)n3C[C@@H](C)[NH+](C)C)C2)cc1 ZINC001289755734 1061378776 /nfs/dbraw/zinc/37/87/76/1061378776.db2.gz FYALTNZAVLNENE-RTWAWAEBSA-N 1 0 496.660 2.811 20 0 JFADRO Cc1ccc(O[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001289759336 1061381199 /nfs/dbraw/zinc/38/11/99/1061381199.db2.gz LGSZKEVRWGFYJO-NRFANRHFSA-N 1 0 454.619 2.922 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286900201 1061391355 /nfs/dbraw/zinc/39/13/55/1061391355.db2.gz AVSJHAJCPPLJBT-QZNJRLLKSA-N 1 0 473.666 2.623 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286900203 1061391400 /nfs/dbraw/zinc/39/14/00/1061391400.db2.gz AVSJHAJCPPLJBT-XABBQPORSA-N 1 0 473.666 2.623 20 0 JFADRO Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC(N)=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001289773483 1061394621 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/nfs/dbraw/zinc/45/45/77/1061454577.db2.gz TUHKUUBNQBIMRD-UHFFFAOYSA-N 1 0 463.648 2.828 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3cn4ccccc4n3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001286911102 1061461124 /nfs/dbraw/zinc/46/11/24/1061461124.db2.gz GIQJHIJRRUAEGD-NRFANRHFSA-N 1 0 466.634 2.740 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1C ZINC001289813576 1061465654 /nfs/dbraw/zinc/46/56/54/1061465654.db2.gz GPETVKCTMMBSCP-JOCHJYFZSA-N 1 0 498.672 2.801 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCC(=O)N(C)C)cc1C ZINC001289819254 1061478965 /nfs/dbraw/zinc/47/89/65/1061478965.db2.gz QAGLYTKFZBLHQE-QFIPXVFZSA-N 1 0 484.645 2.501 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C(=O)C(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001289820417 1061481725 /nfs/dbraw/zinc/48/17/25/1061481725.db2.gz DNWKEJLOUKMAQC-OAQYLSRUSA-N 1 0 454.619 2.954 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001286914762 1061487478 /nfs/dbraw/zinc/48/74/78/1061487478.db2.gz GSMRKYLHDADBPU-IBGZPJMESA-N 1 0 481.645 2.748 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2C[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC001289824122 1061488645 /nfs/dbraw/zinc/48/86/45/1061488645.db2.gz DZEKEQURGNGGSL-FQEVSTJZSA-N 1 0 452.559 2.648 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001286914991 1061489223 /nfs/dbraw/zinc/48/92/23/1061489223.db2.gz JDEGPFWLMSCRJS-SFHVURJKSA-N 1 0 467.618 2.735 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001286915453 1061493140 /nfs/dbraw/zinc/49/31/40/1061493140.db2.gz QGSVKARWZCFNHN-HSZRJFAPSA-N 1 0 454.619 2.511 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001286919214 1061508729 /nfs/dbraw/zinc/50/87/29/1061508729.db2.gz NPAYPHCIPPSXFA-UHFFFAOYSA-N 1 0 468.646 2.518 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001286919259 1061509181 /nfs/dbraw/zinc/50/91/81/1061509181.db2.gz NYZROOTXYFDYMB-OAQYLSRUSA-N 1 0 453.616 2.733 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001286919428 1061509848 /nfs/dbraw/zinc/50/98/48/1061509848.db2.gz PBVCFYSGQLJEIR-LJQANCHMSA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001286919785 1061511667 /nfs/dbraw/zinc/51/16/67/1061511667.db2.gz WGKCMYITPICFEI-UQBPGWFLSA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001286919990 1061512080 /nfs/dbraw/zinc/51/20/80/1061512080.db2.gz ONJQVPCZVUBXJW-IBGZPJMESA-N 1 0 481.645 2.635 20 0 JFADRO CC(=O)NC1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286920403 1061513915 /nfs/dbraw/zinc/51/39/15/1061513915.db2.gz VBJLWCYDMCYKDN-UHFFFAOYSA-N 1 0 484.645 2.691 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001286921041 1061515246 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/nfs/dbraw/zinc/53/76/05/1061537605.db2.gz HWMNVAXGBKFQSB-WKDRNLAYSA-N 1 0 476.666 2.760 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001289861974 1061544120 /nfs/dbraw/zinc/54/41/20/1061544120.db2.gz AJBUOVRFPLBDDC-JPYJTQIMSA-N 1 0 474.700 2.983 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286928542 1061548952 /nfs/dbraw/zinc/54/89/52/1061548952.db2.gz PWWOZMKAHUAFCJ-OFNKIYASSA-N 1 0 470.618 2.873 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001289867759 1061549482 /nfs/dbraw/zinc/54/94/82/1061549482.db2.gz LQKRXOHAWDCZAV-UHFFFAOYSA-N 1 0 485.702 2.607 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001286928869 1061549821 /nfs/dbraw/zinc/54/98/21/1061549821.db2.gz MWBQNJMLDRBLNE-BWKNWUBXSA-N 1 0 486.686 2.955 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001286930837 1061556387 /nfs/dbraw/zinc/55/63/87/1061556387.db2.gz RWIVNYBELDTTIW-REWPJTCUSA-N 1 0 453.635 2.738 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCO[C@@H](COC(C)C)C3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001289876929 1061561194 /nfs/dbraw/zinc/56/11/94/1061561194.db2.gz HEMKIGUEIOHMQD-YKSBVNFPSA-N 1 0 475.659 2.576 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294093456 1061572030 /nfs/dbraw/zinc/57/20/30/1061572030.db2.gz DQHUFJMIIACOQX-SFTDATJTSA-N 1 0 489.690 2.582 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2c(C)noc2C)CC[N@@H+]1CCOC ZINC001294095057 1061573518 /nfs/dbraw/zinc/57/35/18/1061573518.db2.gz MQNWGRRQEPSFSW-OAQYLSRUSA-N 1 0 453.591 2.854 20 0 JFADRO Cc1cccc(C(=O)N2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@@H+](C)C(C)C)CC2)c1 ZINC001289889817 1061573876 /nfs/dbraw/zinc/57/38/76/1061573876.db2.gz MQOFZGQNEHWXLC-QFIPXVFZSA-N 1 0 481.645 2.620 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@]2(C)COCCO2)CC[N@@H+]1CCOC ZINC001294097183 1061575302 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/nfs/dbraw/zinc/58/35/53/1061583553.db2.gz CKLAKIVQRAKXNP-KNQAVFIVSA-N 1 0 477.613 2.811 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CSCCS2)CC[N@@H+]1CCOC ZINC001294103386 1061583733 /nfs/dbraw/zinc/58/37/33/1061583733.db2.gz JMVOPQHUGCTGCL-GBESFXJTSA-N 1 0 455.694 2.915 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286942216 1061593332 /nfs/dbraw/zinc/59/33/32/1061593332.db2.gz IGJGMGXTSSVLIF-HUVFLSCGSA-N 1 0 484.645 2.772 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286942218 1061593495 /nfs/dbraw/zinc/59/34/95/1061593495.db2.gz IGJGMGXTSSVLIF-TUACAJSNSA-N 1 0 484.645 2.772 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H](C)[NH+](C)C)CCO1 ZINC001286942379 1061594440 /nfs/dbraw/zinc/59/44/40/1061594440.db2.gz UVQFLSJRMIQVDJ-XJKSGUPXSA-N 1 0 455.390 2.543 20 0 JFADRO C[N@H+](CCNC(=O)C1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCC2)CC1)Cc1ccccc1 ZINC001294110846 1061594486 /nfs/dbraw/zinc/59/44/86/1061594486.db2.gz LYDFZYIVYTXLIX-UHFFFAOYSA-N 1 0 457.615 2.985 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC2([NH+](C)C)CCCC2)CCO1 ZINC001286942687 1061596306 /nfs/dbraw/zinc/59/63/06/1061596306.db2.gz WRQJVQIBNVFTRR-GOSISDBHSA-N 1 0 479.000 2.953 20 0 JFADRO CCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001294120090 1061600176 /nfs/dbraw/zinc/60/01/76/1061600176.db2.gz CPSVSNGAYODIPG-UHFFFAOYSA-N 1 0 478.439 2.970 20 0 JFADRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 ZINC001294121236 1061601257 /nfs/dbraw/zinc/60/12/57/1061601257.db2.gz FHRRCVDQKFTDAN-MOPGFXCFSA-N 1 0 455.416 2.695 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(C)n2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001289915699 1061608161 /nfs/dbraw/zinc/60/81/61/1061608161.db2.gz QDHSKZQHPYMBOT-UHFFFAOYSA-N 1 0 465.650 2.661 20 0 JFADRO Cc1cccc(-c2nnc(N(C)CC3COC(C)(C)OC3)n2CCCC[NH+]2CCOCC2)n1 ZINC001289926736 1061617600 /nfs/dbraw/zinc/61/76/00/1061617600.db2.gz YYGCBKXOPUINNM-UHFFFAOYSA-N 1 0 458.607 2.596 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CCO1 ZINC001286945231 1061620416 /nfs/dbraw/zinc/62/04/16/1061620416.db2.gz WIOULZVGEYGQOW-DENIHFKCSA-N 1 0 469.634 2.502 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC[NH+]2CCCCCC2)CCO1 ZINC001286945969 1061630125 /nfs/dbraw/zinc/63/01/25/1061630125.db2.gz OBIROICGTZYUET-DEOSSOPVSA-N 1 0 468.646 2.671 20 0 JFADRO CC(C)N(CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001294146657 1061633422 /nfs/dbraw/zinc/63/34/22/1061633422.db2.gz NGIWFNZUJBEHNP-UHFFFAOYSA-N 1 0 452.640 2.863 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)N(C)c4ccccc4)C3)n2CCOCC[NH+](C)C)n1 ZINC001289947862 1061638067 /nfs/dbraw/zinc/63/80/67/1061638067.db2.gz MPSPAYDTCBJJGS-NRFANRHFSA-N 1 0 477.613 2.716 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948000 1061651913 /nfs/dbraw/zinc/65/19/13/1061651913.db2.gz SOICCGNRIKKRKB-BJKOFHAPSA-N 1 0 484.645 2.627 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948072 1061652900 /nfs/dbraw/zinc/65/29/00/1061652900.db2.gz OSIJJQBJDVOJGE-XXBNENTESA-N 1 0 490.599 2.609 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CCO1 ZINC001286948002 1061652943 /nfs/dbraw/zinc/65/29/43/1061652943.db2.gz SOICCGNRIKKRKB-RPWUZVMVSA-N 1 0 484.645 2.627 20 0 JFADRO CCCCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001294168565 1061667549 /nfs/dbraw/zinc/66/75/49/1061667549.db2.gz RLZODZQWLIKAFZ-HXUWFJFHSA-N 1 0 473.666 2.521 20 0 JFADRO CC(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001286949351 1061670046 /nfs/dbraw/zinc/67/00/46/1061670046.db2.gz IQTKNVOIROBAJI-QGZVFWFLSA-N 1 0 461.010 2.814 20 0 JFADRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)ccc1I ZINC001294172468 1061673883 /nfs/dbraw/zinc/67/38/83/1061673883.db2.gz AHRQZHVGJMALQC-UHFFFAOYSA-N 1 0 455.134 2.752 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001294173291 1061678504 /nfs/dbraw/zinc/67/85/04/1061678504.db2.gz HFMIDZLAXPFRQJ-IFMALSPDSA-N 1 0 487.693 2.969 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001294173292 1061678512 /nfs/dbraw/zinc/67/85/12/1061678512.db2.gz HFMIDZLAXPFRQJ-IRLDBZIGSA-N 1 0 487.693 2.969 20 0 JFADRO Cc1cccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CC2([NH+](C)C)CCCC2)n1 ZINC001289972303 1061681165 /nfs/dbraw/zinc/68/11/65/1061681165.db2.gz KETCBRAWCKENJA-IBGZPJMESA-N 1 0 460.648 2.926 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H]([NH+]4CCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001289972567 1061681945 /nfs/dbraw/zinc/68/19/45/1061681945.db2.gz GFMPDLFIELLBMJ-IBGZPJMESA-N 1 0 460.648 2.926 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001289973443 1061684045 /nfs/dbraw/zinc/68/40/45/1061684045.db2.gz IKEHOJOLIGQCHN-BDTNDASRSA-N 1 0 483.661 2.889 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001286950881 1061685033 /nfs/dbraw/zinc/68/50/33/1061685033.db2.gz ATGGSSMXWIKATR-NRSPTQNISA-N 1 0 489.665 2.592 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001294175214 1061686689 /nfs/dbraw/zinc/68/66/89/1061686689.db2.gz WZMCYILIKFJTFP-JOCHJYFZSA-N 1 0 460.667 2.989 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289974211 1061687643 /nfs/dbraw/zinc/68/76/43/1061687643.db2.gz LRSOQVJNFMCJFC-LEWJYISDSA-N 1 0 491.706 2.733 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289974213 1061687703 /nfs/dbraw/zinc/68/77/03/1061687703.db2.gz LRSOQVJNFMCJFC-RTWAWAEBSA-N 1 0 491.706 2.733 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2CCSC(C)C)n1 ZINC001289978525 1061698222 /nfs/dbraw/zinc/69/82/22/1061698222.db2.gz BIOJPBBFNAOBDM-UHFFFAOYSA-N 1 0 457.648 2.535 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001289980249 1061700884 /nfs/dbraw/zinc/70/08/84/1061700884.db2.gz UHJPNLHQBHGOMX-UHFFFAOYSA-N 1 0 456.639 2.866 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC(C)C)C(=O)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001289982642 1061705144 /nfs/dbraw/zinc/70/51/44/1061705144.db2.gz FFMPAUHQOXKJJR-UHFFFAOYSA-N 1 0 491.640 2.942 20 0 JFADRO CC(=O)NCCCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001286954694 1061705777 /nfs/dbraw/zinc/70/57/77/1061705777.db2.gz GYYVHSGDJREXCP-BGYRXZFFSA-N 1 0 491.681 2.886 20 0 JFADRO C[C@@H]1C[C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@@H+]1C ZINC001294202035 1061708033 /nfs/dbraw/zinc/70/80/33/1061708033.db2.gz PQVTWTYKWPDQML-VQIMIIECSA-N 1 0 459.568 2.861 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)n1 ZINC001289985595 1061710352 /nfs/dbraw/zinc/71/03/52/1061710352.db2.gz NPTOHHPHWHJWJQ-BVAGGSTKSA-N 1 0 464.614 2.911 20 0 JFADRO CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001286955941 1061711884 /nfs/dbraw/zinc/71/18/84/1061711884.db2.gz VEYSRLINNLQFRU-HXUWFJFHSA-N 1 0 458.582 2.835 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001289987992 1061713356 /nfs/dbraw/zinc/71/33/56/1061713356.db2.gz FVVBRDKWJPVRAV-IEBWSBKVSA-N 1 0 468.524 2.653 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001294209857 1061713827 /nfs/dbraw/zinc/71/38/27/1061713827.db2.gz BWOXORHNRGMYPR-HXUWFJFHSA-N 1 0 469.590 2.520 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001294209892 1061713966 /nfs/dbraw/zinc/71/39/66/1061713966.db2.gz CNLWZXPLNWIIDW-UHFFFAOYSA-N 1 0 491.040 2.737 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 ZINC001294211441 1061717204 /nfs/dbraw/zinc/71/72/04/1061717204.db2.gz SCBIYIAICHJMBA-UHFFFAOYSA-N 1 0 487.624 2.720 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001294213727 1061721577 /nfs/dbraw/zinc/72/15/77/1061721577.db2.gz CMTHATPVEONLAM-DEOSSOPVSA-N 1 0 459.591 2.690 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001294214346 1061722393 /nfs/dbraw/zinc/72/23/93/1061722393.db2.gz HVMNRAJRYINSOR-RUZDIDTESA-N 1 0 456.635 2.987 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001294214016 1061722512 /nfs/dbraw/zinc/72/25/12/1061722512.db2.gz FWMRGTBGGZMVGE-QHCPKHFHSA-N 1 0 462.545 2.995 20 0 JFADRO Cc1cccc([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)c1 ZINC001290000639 1061724275 /nfs/dbraw/zinc/72/42/75/1061724275.db2.gz GDCCJYRKEHUVHK-PKTZIBPZSA-N 1 0 495.672 2.661 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294216957 1061726518 /nfs/dbraw/zinc/72/65/18/1061726518.db2.gz MEDWMDZWJHKIIE-GOSISDBHSA-N 1 0 490.450 2.962 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001294217138 1061727244 /nfs/dbraw/zinc/72/72/44/1061727244.db2.gz BTLSQFPVXITSLY-OAQYLSRUSA-N 1 0 458.582 2.644 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001294217108 1061727323 /nfs/dbraw/zinc/72/73/23/1061727323.db2.gz ARZIXEWBISCYGF-NRFANRHFSA-N 1 0 460.648 2.681 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294217395 1061728208 /nfs/dbraw/zinc/72/82/08/1061728208.db2.gz GTCLOMCUVSQLOJ-AZUAARDMSA-N 1 0 459.547 2.808 20 0 JFADRO Cc1cccc([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[N@@H+](C)C(C)C)C2)c1 ZINC001290002690 1061728424 /nfs/dbraw/zinc/72/84/24/1061728424.db2.gz VBUNRLDKLPZUKR-TZIWHRDSSA-N 1 0 462.664 2.921 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001294219068 1061730372 /nfs/dbraw/zinc/73/03/72/1061730372.db2.gz VXLSWGSSSHYVBI-NHCUHLMSSA-N 1 0 470.618 2.942 20 0 JFADRO CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1 ZINC001294220443 1061732190 /nfs/dbraw/zinc/73/21/90/1061732190.db2.gz SEEADODUWAKKSL-KRWDZBQOSA-N 1 0 459.568 2.527 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCO[C@@H](C)C1 ZINC001294222000 1061732709 /nfs/dbraw/zinc/73/27/09/1061732709.db2.gz ZRDBKISFUSLDOW-SFHVURJKSA-N 1 0 463.652 2.585 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001294222007 1061732752 /nfs/dbraw/zinc/73/27/52/1061732752.db2.gz ZYCDARROJJLSIK-IBGZPJMESA-N 1 0 467.574 2.538 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294223509 1061733280 /nfs/dbraw/zinc/73/32/80/1061733280.db2.gz GQNKTOYLABWKSO-IBGZPJMESA-N 1 0 494.644 2.635 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC001294224684 1061735646 /nfs/dbraw/zinc/73/56/46/1061735646.db2.gz WVCHRLDRPFMVFQ-VQTJNVASSA-N 1 0 462.545 2.817 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001294225586 1061736794 /nfs/dbraw/zinc/73/67/94/1061736794.db2.gz GEMZZINDWWTNCB-MOPGFXCFSA-N 1 0 450.628 2.865 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294225992 1061738189 /nfs/dbraw/zinc/73/81/89/1061738189.db2.gz KZGPNUSMOZKFJI-LJQANCHMSA-N 1 0 450.628 2.961 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294226347 1061739756 /nfs/dbraw/zinc/73/97/56/1061739756.db2.gz SYYHMZZIWYUYAY-WOJBJXKFSA-N 1 0 492.665 2.766 20 0 JFADRO CCCC[N@H+](C)CCn1c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nnc1C(C)(C)C ZINC001294228969 1061744808 /nfs/dbraw/zinc/74/48/08/1061744808.db2.gz JMLSVAIOGBOUSU-OAQYLSRUSA-N 1 0 455.651 2.656 20 0 JFADRO COC1CC[NH+](CCNC(=O)c2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2F)CC1 ZINC001294233091 1061748454 /nfs/dbraw/zinc/74/84/54/1061748454.db2.gz GUVGGECVHOFAEI-UHFFFAOYSA-N 1 0 453.511 2.606 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[C@H](O)C3)CC2)c1 ZINC001290034433 1061750481 /nfs/dbraw/zinc/75/04/81/1061750481.db2.gz SIMTVNDNCFVMEO-VXKWHMMOSA-N 1 0 454.619 2.598 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCCCCS(C)(=O)=O)CC2)c1 ZINC001290037284 1061753990 /nfs/dbraw/zinc/75/39/90/1061753990.db2.gz JHJKJWNCIRQFNK-QFIPXVFZSA-N 1 0 475.659 2.628 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](Cc4cccc(C)c4)CC3)n2CCC(C)(C)O)n1 ZINC001290037722 1061755125 /nfs/dbraw/zinc/75/51/25/1061755125.db2.gz RRHRPKHZMIJRIM-UHFFFAOYSA-N 1 0 451.619 2.931 20 0 JFADRO C[C@H](C(=O)N1CCCC1)N1CCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973165 1061759119 /nfs/dbraw/zinc/75/91/19/1061759119.db2.gz ZWYNRFIUTKPAOP-HXUWFJFHSA-N 1 0 459.683 2.656 20 0 JFADRO CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001294254699 1061759650 /nfs/dbraw/zinc/75/96/50/1061759650.db2.gz IXUSYDOBOMXHSG-UHFFFAOYSA-N 1 0 454.623 2.720 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C1CC1)[NH+](C)C ZINC001286973390 1061760584 /nfs/dbraw/zinc/76/05/84/1061760584.db2.gz QJXUXYXTQGGGIL-PBFPGSCMSA-N 1 0 487.468 2.634 20 0 JFADRO CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294260442 1061762491 /nfs/dbraw/zinc/76/24/91/1061762491.db2.gz IRCYTWXNTQKKDM-IBGZPJMESA-N 1 0 486.617 2.514 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001290045917 1061764127 /nfs/dbraw/zinc/76/41/27/1061764127.db2.gz AFRVHCIYMZHTAE-RBBKRZOGSA-N 1 0 475.659 2.909 20 0 JFADRO C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001286973931 1061765270 /nfs/dbraw/zinc/76/52/70/1061765270.db2.gz YKEOVNRVVAILFU-UNMCSNQZSA-N 1 0 489.709 2.677 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001286974259 1061767406 /nfs/dbraw/zinc/76/74/06/1061767406.db2.gz CNBPTQDKTZSQGN-IAGOWNOFSA-N 1 0 499.628 2.516 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[NH+](C(C)C)C(C)C)c1 ZINC001290047750 1061767931 /nfs/dbraw/zinc/76/79/31/1061767931.db2.gz UFVSQIJLSAWQFX-FQEVSTJZSA-N 1 0 463.648 2.908 20 0 JFADRO CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001294280627 1061771625 /nfs/dbraw/zinc/77/16/25/1061771625.db2.gz ILCQVPPLWPKIRH-QHCPKHFHSA-N 1 0 470.662 2.909 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC2CCS(=O)(=O)CC2)c1 ZINC001290062327 1061782890 /nfs/dbraw/zinc/78/28/90/1061782890.db2.gz DVDJKMNHABQGQP-UHFFFAOYSA-N 1 0 475.659 2.957 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001290062672 1061785179 /nfs/dbraw/zinc/78/51/79/1061785179.db2.gz DQFBGYDQWHUIEJ-NHCUHLMSSA-N 1 0 484.645 2.757 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)c1 ZINC001290062959 1061786880 /nfs/dbraw/zinc/78/68/80/1061786880.db2.gz RRUBRKZWTVHETQ-FPOVZHCZSA-N 1 0 461.632 2.521 20 0 JFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1nn2c(c1Br)CCC2 ZINC001294300228 1061788705 /nfs/dbraw/zinc/78/87/05/1061788705.db2.gz VOXAZTAATOCIHC-UHFFFAOYSA-N 1 0 452.441 2.860 20 0 JFADRO CCCCn1cc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)n1 ZINC001294303710 1061790775 /nfs/dbraw/zinc/79/07/75/1061790775.db2.gz FMJADWMTUHYQRK-JOCHJYFZSA-N 1 0 470.666 2.573 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290066952 1061791580 /nfs/dbraw/zinc/79/15/80/1061791580.db2.gz RGNDFXMZTQIIIK-NRFANRHFSA-N 1 0 463.648 2.909 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 ZINC001294306589 1061794305 /nfs/dbraw/zinc/79/43/05/1061794305.db2.gz CDPYNQKGOMYHIE-MRXNPFEDSA-N 1 0 464.412 2.627 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001294306294 1061794353 /nfs/dbraw/zinc/79/43/53/1061794353.db2.gz HXWMYYCBAQQPNH-QFIPXVFZSA-N 1 0 487.693 2.863 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CC[N@@H+]2CCCC(C)(C)C2)c1 ZINC001290071219 1061797159 /nfs/dbraw/zinc/79/71/59/1061797159.db2.gz KCRWCSIUOGEWCQ-FQEVSTJZSA-N 1 0 454.619 2.954 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294308587 1061797368 /nfs/dbraw/zinc/79/73/68/1061797368.db2.gz SFQJUEHIPGNVNN-HRTMPFAESA-N 1 0 475.682 2.954 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294308783 1061797880 /nfs/dbraw/zinc/79/78/80/1061797880.db2.gz VAAOUBVHZSSUSV-ZWKOTPCHSA-N 1 0 472.556 2.936 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001294309117 1061798406 /nfs/dbraw/zinc/79/84/06/1061798406.db2.gz YHEPGOBXHFDZIV-KRWDZBQOSA-N 1 0 474.572 2.965 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O ZINC001294309571 1061799337 /nfs/dbraw/zinc/79/93/37/1061799337.db2.gz XPUQCMAEVYKSFX-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CC[NH+]2CCCC2)c1 ZINC001290072448 1061800470 /nfs/dbraw/zinc/80/04/70/1061800470.db2.gz AEOCBEJXYJBKAA-NRFANRHFSA-N 1 0 454.619 2.954 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001294310170 1061801033 /nfs/dbraw/zinc/80/10/33/1061801033.db2.gz FJQDPNVXXYXYAT-QHAWAJNXSA-N 1 0 462.639 2.514 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001294311801 1061802209 /nfs/dbraw/zinc/80/22/09/1061802209.db2.gz OSDAYWAZBVOMET-IRLDBZIGSA-N 1 0 496.722 2.735 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001294312320 1061803740 /nfs/dbraw/zinc/80/37/40/1061803740.db2.gz YMFWYXYJUPLJHS-FCHUYYIVSA-N 1 0 487.693 2.967 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001294313357 1061805149 /nfs/dbraw/zinc/80/51/49/1061805149.db2.gz BYFILZYHEFWUPT-NJYVYQBISA-N 1 0 482.695 2.502 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001286979545 1061807928 /nfs/dbraw/zinc/80/79/28/1061807928.db2.gz VIWFFFPBHSWTIZ-SVFBPWRDSA-N 1 0 459.660 2.805 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294316805 1061811526 /nfs/dbraw/zinc/81/15/26/1061811526.db2.gz IBLXNDACHGEMMC-DCEDVJGZSA-N 1 0 476.666 2.547 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 ZINC001294317020 1061812069 /nfs/dbraw/zinc/81/20/69/1061812069.db2.gz JIXPDXSNNPMXDU-VABKMULXSA-N 1 0 476.666 2.715 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294317128 1061812334 /nfs/dbraw/zinc/81/23/34/1061812334.db2.gz UUOUHNGMYKHNPM-FQEVSTJZSA-N 1 0 468.712 2.993 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001294317953 1061816401 /nfs/dbraw/zinc/81/64/01/1061816401.db2.gz ZDDYTJUVYKQQJC-KZNAEPCWSA-N 1 0 493.596 2.602 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294318609 1061818409 /nfs/dbraw/zinc/81/84/09/1061818409.db2.gz URKOWOXRWJTDDI-YADHBBJMSA-N 1 0 491.706 2.808 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001294318608 1061818485 /nfs/dbraw/zinc/81/84/85/1061818485.db2.gz URKOWOXRWJTDDI-VXKWHMMOSA-N 1 0 491.706 2.808 20 0 JFADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290095182 1061826648 /nfs/dbraw/zinc/82/66/48/1061826648.db2.gz MBIJFMGYJCUDSK-PMACEKPBSA-N 1 0 475.659 2.797 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)Cc2ncnn2CC(F)F)n1CC1([NH+](C)C)CCOCC1 ZINC001290100947 1061829878 /nfs/dbraw/zinc/82/98/78/1061829878.db2.gz IZAFMHLDSZFJHW-UHFFFAOYSA-N 1 0 474.560 2.857 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@H](c1cccs1)[NH+](C)C ZINC001290106887 1061834561 /nfs/dbraw/zinc/83/45/61/1061834561.db2.gz GETGLKSTSZEPJV-GOSISDBHSA-N 1 0 462.645 2.603 20 0 JFADRO Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001290110312 1061837912 /nfs/dbraw/zinc/83/79/12/1061837912.db2.gz VDKLWDCQRNBLQM-JOCHJYFZSA-N 1 0 463.673 2.704 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290112750 1061841210 /nfs/dbraw/zinc/84/12/10/1061841210.db2.gz KWYDQVJXOSVNFR-MJGOQNOKSA-N 1 0 494.562 2.727 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294327487 1061843010 /nfs/dbraw/zinc/84/30/10/1061843010.db2.gz VNQYRFUFOOKAOO-XJUOHMSHSA-N 1 0 498.676 2.613 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001294327556 1061843917 /nfs/dbraw/zinc/84/39/17/1061843917.db2.gz ARLAQONVDAZVML-WBADGQHESA-N 1 0 490.693 2.804 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294330687 1061850095 /nfs/dbraw/zinc/85/00/95/1061850095.db2.gz PQCUGNKBSGTVOP-JSXRDJHFSA-N 1 0 487.693 2.871 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001290123599 1061853342 /nfs/dbraw/zinc/85/33/42/1061853342.db2.gz BUECFJSOOHONJH-NRFANRHFSA-N 1 0 472.659 2.623 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001290125025 1061855758 /nfs/dbraw/zinc/85/57/58/1061855758.db2.gz KFMHISWBJAWRHT-WOJBJXKFSA-N 1 0 460.648 2.503 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294332910 1061862413 /nfs/dbraw/zinc/86/24/13/1061862413.db2.gz LGRZWQSSJMFMEG-OREGWCPLSA-N 1 0 498.672 2.753 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 ZINC001294333323 1061863103 /nfs/dbraw/zinc/86/31/03/1061863103.db2.gz FYQSEMLJJOMHSB-QYZOEREBSA-N 1 0 450.624 2.517 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCC(C)(C)O ZINC001290133981 1061869228 /nfs/dbraw/zinc/86/92/28/1061869228.db2.gz YKBPWRQDRIOFJH-JOCHJYFZSA-N 1 0 470.662 2.646 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001294335836 1061872891 /nfs/dbraw/zinc/87/28/91/1061872891.db2.gz RODVWAJABGLGMV-FCHUYYIVSA-N 1 0 487.693 2.911 20 0 JFADRO COc1ccc([C@H](CNC(=O)c2cnn(CC(=O)NC3CCCC3)c2)[NH+]2CCCCC2)cc1 ZINC001290143838 1061879039 /nfs/dbraw/zinc/87/90/39/1061879039.db2.gz ZFMYVKJCBGUDIF-QHCPKHFHSA-N 1 0 453.587 2.908 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC(N)=O)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001290145018 1061881538 /nfs/dbraw/zinc/88/15/38/1061881538.db2.gz GCTBXEWQELBWEY-OAQYLSRUSA-N 1 0 468.646 2.913 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001286989575 1061881735 /nfs/dbraw/zinc/88/17/35/1061881735.db2.gz SMZNYUZNARWBCV-UHFFFAOYSA-N 1 0 457.623 2.517 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2CCCCC2)C1 ZINC001294340996 1061886930 /nfs/dbraw/zinc/88/69/30/1061886930.db2.gz BWXFEZZPFQMWIR-FQEVSTJZSA-N 1 0 456.639 2.687 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)Cc2cnccn2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290151182 1061892335 /nfs/dbraw/zinc/89/23/35/1061892335.db2.gz NEJVQUBBGOYPSD-QHCPKHFHSA-N 1 0 476.629 2.546 20 0 JFADRO CC(C)(C)[C@]1(C)CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001286992384 1061894824 /nfs/dbraw/zinc/89/48/24/1061894824.db2.gz SCGSFNOQDVLVGF-VWLOTQADSA-N 1 0 456.635 2.752 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001294347923 1061906752 /nfs/dbraw/zinc/90/67/52/1061906752.db2.gz VNHOBCZNTIPNRP-RBBKRZOGSA-N 1 0 497.692 2.535 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001294349327 1061913785 /nfs/dbraw/zinc/91/37/85/1061913785.db2.gz OPEMZJAVVHVNJC-FQEVSTJZSA-N 1 0 482.633 2.542 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(Nc3cccnn3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287001691 1061918743 /nfs/dbraw/zinc/91/87/43/1061918743.db2.gz WTGLPOFVORVRFV-FQEVSTJZSA-N 1 0 456.639 2.683 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001290176441 1061924225 /nfs/dbraw/zinc/92/42/25/1061924225.db2.gz KOUUGELZFYUQJS-FQEVSTJZSA-N 1 0 488.683 2.623 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCCCC[NH+]1CCCCC1 ZINC001287005885 1061925179 /nfs/dbraw/zinc/92/51/79/1061925179.db2.gz WQEQOVKMHNJZPR-IBGZPJMESA-N 1 0 471.654 2.764 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1CC[NH+]1CCSCC1 ZINC001287006750 1061928803 /nfs/dbraw/zinc/92/88/03/1061928803.db2.gz ARZOUDPZIZQKMH-UHFFFAOYSA-N 1 0 456.660 2.516 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001294359815 1061932020 /nfs/dbraw/zinc/93/20/20/1061932020.db2.gz TVYCDJWVSZXQEM-KCZVDYSFSA-N 1 0 490.693 2.803 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCCOCC1CCOCC1 ZINC001287007663 1061932206 /nfs/dbraw/zinc/93/22/06/1061932206.db2.gz WYOJXBKLCWOVLG-JOCHJYFZSA-N 1 0 463.667 2.958 20 0 JFADRO CC(C)(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@](C)(O)c1ccccc1Cl ZINC001287007807 1061932355 /nfs/dbraw/zinc/93/23/55/1061932355.db2.gz SHVUPRRUJWUVRY-RUZDIDTESA-N 1 0 489.064 2.881 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294371295 1061939917 /nfs/dbraw/zinc/93/99/17/1061939917.db2.gz MJBVAPCROBXJQG-IQGLISFBSA-N 1 0 470.618 2.942 20 0 JFADRO Cc1ccccc1O[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001290200165 1061941791 /nfs/dbraw/zinc/94/17/91/1061941791.db2.gz REFROKPBARNDQR-WOJBJXKFSA-N 1 0 492.690 2.975 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001294372995 1061943971 /nfs/dbraw/zinc/94/39/71/1061943971.db2.gz RJJMYMGIYTXIAE-HXUWFJFHSA-N 1 0 470.618 2.895 20 0 JFADRO CC(C)(C)c1nnc(N2CCO[C@H](COc3ccccc3)C2)n1CCCC[NH+]1CCOCC1 ZINC001287011927 1061944029 /nfs/dbraw/zinc/94/40/29/1061944029.db2.gz KVGLWGSUSDKBHX-QFIPXVFZSA-N 1 0 457.619 2.972 20 0 JFADRO Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001290206303 1061951458 /nfs/dbraw/zinc/95/14/58/1061951458.db2.gz HSLNTQRRJVOGJG-QHCPKHFHSA-N 1 0 497.688 2.799 20 0 JFADRO CCCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001294380683 1061953177 /nfs/dbraw/zinc/95/31/77/1061953177.db2.gz CPFLHVKROHMABZ-HXUWFJFHSA-N 1 0 455.607 2.818 20 0 JFADRO CCCCOc1ncccc1Cn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C ZINC001294380778 1061953893 /nfs/dbraw/zinc/95/38/93/1061953893.db2.gz NQQOHLGGWWEZLN-OAQYLSRUSA-N 1 0 483.661 2.941 20 0 JFADRO CCCCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294381705 1061954453 /nfs/dbraw/zinc/95/44/53/1061954453.db2.gz VIMATVAWTYPQGX-UHFFFAOYSA-N 1 0 469.634 2.943 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001290216851 1061961423 /nfs/dbraw/zinc/96/14/23/1061961423.db2.gz CHDXNDJLCKRCDY-HXUWFJFHSA-N 1 0 474.675 2.780 20 0 JFADRO Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(C(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001290217853 1061963815 /nfs/dbraw/zinc/96/38/15/1061963815.db2.gz MVEILQPXXZPQMZ-HXUWFJFHSA-N 1 0 474.675 2.953 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287024352 1061966145 /nfs/dbraw/zinc/96/61/45/1061966145.db2.gz PLYPBWAPFAMQOX-VQTJNVASSA-N 1 0 466.696 2.603 20 0 JFADRO Cc1cccnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001290222023 1061970978 /nfs/dbraw/zinc/97/09/78/1061970978.db2.gz STJODQMDUFWERN-UHFFFAOYSA-N 1 0 498.653 2.647 20 0 JFADRO CCCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294408956 1061974792 /nfs/dbraw/zinc/97/47/92/1061974792.db2.gz NASPCZBBXPHXTL-FGZHOGPDSA-N 1 0 481.707 2.945 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001287029067 1061977349 /nfs/dbraw/zinc/97/73/49/1061977349.db2.gz MWTIHBYDMYQPDS-UYAOXDASSA-N 1 0 466.696 2.649 20 0 JFADRO Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001290230149 1061978892 /nfs/dbraw/zinc/97/88/92/1061978892.db2.gz ZORGCLZDOYLRDG-UHFFFAOYSA-N 1 0 453.616 2.942 20 0 JFADRO CC1=CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001290231832 1061980823 /nfs/dbraw/zinc/98/08/23/1061980823.db2.gz ZSXPGUAVEOTROG-QRVBRYPASA-N 1 0 452.669 2.801 20 0 JFADRO Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001294415056 1061980845 /nfs/dbraw/zinc/98/08/45/1061980845.db2.gz VQJZRYLAUQRCGS-GOSISDBHSA-N 1 0 453.605 2.923 20 0 JFADRO CCCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294427082 1061986201 /nfs/dbraw/zinc/98/62/01/1061986201.db2.gz JETHZCTYCJMEKJ-HDICACEKSA-N 1 0 453.595 2.655 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCNC(=O)c1ccccc1F ZINC001287034117 1061994203 /nfs/dbraw/zinc/99/42/03/1061994203.db2.gz FTQMISYDBGEGIM-UHFFFAOYSA-N 1 0 472.609 2.737 20 0 JFADRO CC1=CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001290264577 1061995631 /nfs/dbraw/zinc/99/56/31/1061995631.db2.gz LHKSWLFVLQCZKI-NRFANRHFSA-N 1 0 473.643 2.520 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)C1 ZINC001294453686 1061998551 /nfs/dbraw/zinc/99/85/51/1061998551.db2.gz DAYVHEYCEDMHRQ-IBGZPJMESA-N 1 0 452.607 2.589 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)C1 ZINC001294453687 1061998575 /nfs/dbraw/zinc/99/85/75/1061998575.db2.gz DAYVHEYCEDMHRQ-LJQANCHMSA-N 1 0 452.607 2.589 20 0 JFADRO COc1ccc(Br)cc1-c1ncc(C(=O)NCCCN2CC[NH+](C)CC2)s1 ZINC001290270497 1061998737 /nfs/dbraw/zinc/99/87/37/1061998737.db2.gz CFRWBXBLSLCODO-UHFFFAOYSA-N 1 0 453.406 2.949 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)C1 ZINC001294453925 1061999182 /nfs/dbraw/zinc/99/91/82/1061999182.db2.gz JXGOSZXVFAYNMR-PZJWPPBQSA-N 1 0 467.618 2.594 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(N)=O)cc2)C1 ZINC001294454767 1062000942 /nfs/dbraw/zinc/00/09/42/1062000942.db2.gz RTLHPGXHUMNYDD-IBGZPJMESA-N 1 0 491.600 2.632 20 0 JFADRO Cc1cnn([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C2)c1 ZINC001290271526 1062001101 /nfs/dbraw/zinc/00/11/01/1062001101.db2.gz KOOKOYFKKTWYFD-RTWAWAEBSA-N 1 0 456.639 2.883 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)C1 ZINC001294455075 1062001445 /nfs/dbraw/zinc/00/14/45/1062001445.db2.gz CCHJTBDLKLAZSC-IBGZPJMESA-N 1 0 473.643 2.863 20 0 JFADRO CC(C)(C)Cc1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001287035755 1062001778 /nfs/dbraw/zinc/00/17/78/1062001778.db2.gz RVXKIZLIUNWJDO-UHFFFAOYSA-N 1 0 461.614 2.774 20 0 JFADRO C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCN1CC[NH+](C)CC1 ZINC001290272217 1062002232 /nfs/dbraw/zinc/00/22/32/1062002232.db2.gz YSYYKNFQRNTYPI-LJQANCHMSA-N 1 0 450.583 2.667 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncnn2C(C)(C)C)C1 ZINC001294455523 1062002863 /nfs/dbraw/zinc/00/28/63/1062002863.db2.gz FIMDUAFPKLCIHF-CJFMBICVSA-N 1 0 488.681 2.882 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)C1 ZINC001294455674 1062003243 /nfs/dbraw/zinc/00/32/43/1062003243.db2.gz YBEFYIVMEPHADU-QGZVFWFLSA-N 1 0 474.679 2.880 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC(C)(C)O)CC1 ZINC001287039284 1062006062 /nfs/dbraw/zinc/00/60/62/1062006062.db2.gz BZVZBKJZGTUHNB-UHFFFAOYSA-N 1 0 453.591 2.923 20 0 JFADRO Cc1cnn(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1 ZINC001290279137 1062008246 /nfs/dbraw/zinc/00/82/46/1062008246.db2.gz LVLKTXVHBGOTSI-NRFANRHFSA-N 1 0 464.618 2.722 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)(F)F)C1 ZINC001294460596 1062009229 /nfs/dbraw/zinc/00/92/29/1062009229.db2.gz HGBLIOLEWZJAHR-INIZCTEOSA-N 1 0 468.524 2.800 20 0 JFADRO CC(C)(C)CCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001287041428 1062009613 /nfs/dbraw/zinc/00/96/13/1062009613.db2.gz RPVGUDQSWGSJTM-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCOC2)CC1 ZINC001287041803 1062010676 /nfs/dbraw/zinc/01/06/76/1062010676.db2.gz RVTSBCINEPPHKD-XMMPIXPASA-N 1 0 461.582 2.706 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CCO2)c1 ZINC001290280934 1062011803 /nfs/dbraw/zinc/01/18/03/1062011803.db2.gz VIZHWIFDGDRTNQ-FKBYEOEOSA-N 1 0 459.639 2.906 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCOCCCO)CC1 ZINC001287042284 1062012313 /nfs/dbraw/zinc/01/23/13/1062012313.db2.gz HQWUCTDRIZSIPG-UHFFFAOYSA-N 1 0 493.052 2.571 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@]2(O)CCOC2)CC1 ZINC001287042504 1062012629 /nfs/dbraw/zinc/01/26/29/1062012629.db2.gz BGPOWJJCQKNZAW-JOCHJYFZSA-N 1 0 451.518 2.618 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCOC2=O)CC1 ZINC001287043394 1062015146 /nfs/dbraw/zinc/01/51/46/1062015146.db2.gz AZVNOWONRAXXNL-UHFFFAOYSA-N 1 0 462.545 2.910 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)c2ccccc2)C1 ZINC001294467217 1062015620 /nfs/dbraw/zinc/01/56/20/1062015620.db2.gz FFUNKNVSSIPRPL-KSEOMHKRSA-N 1 0 475.659 2.736 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[C@@H](O)C2)CC1 ZINC001287043517 1062015632 /nfs/dbraw/zinc/01/56/32/1062015632.db2.gz GDFGKDYBQDTESI-ZWKOTPCHSA-N 1 0 460.648 2.741 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccc(F)cc2)C1 ZINC001294467356 1062016264 /nfs/dbraw/zinc/01/62/64/1062016264.db2.gz FPKYKGNNZUVXIF-DZFGPLHGSA-N 1 0 458.582 2.924 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468077 1062017860 /nfs/dbraw/zinc/01/78/60/1062017860.db2.gz KILTVIMFZGCXNQ-FGZHOGPDSA-N 1 0 454.619 2.609 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001287044129 1062018403 /nfs/dbraw/zinc/01/84/03/1062018403.db2.gz QRDFFZAOCAGQBI-VQTJNVASSA-N 1 0 464.010 2.971 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 ZINC001294468086 1062018163 /nfs/dbraw/zinc/01/81/63/1062018163.db2.gz KJZLOKKXOPSOJI-RBUKOAKNSA-N 1 0 453.653 2.655 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468143 1062018392 /nfs/dbraw/zinc/01/83/92/1062018392.db2.gz LIHRDKUIBQAHAD-FPOVZHCZSA-N 1 0 475.659 2.714 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2cccc(F)c2)C1 ZINC001294468883 1062020031 /nfs/dbraw/zinc/02/00/31/1062020031.db2.gz RDDIQSWTFUXLFF-SLFFLAALSA-N 1 0 493.649 2.955 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001287044901 1062021486 /nfs/dbraw/zinc/02/14/86/1062021486.db2.gz WXAVJLOJXNJJTC-HNNXBMFYSA-N 1 0 468.528 2.623 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OC)C1 ZINC001294472205 1062026144 /nfs/dbraw/zinc/02/61/44/1062026144.db2.gz TXMZVCHNUTXJSI-HXUWFJFHSA-N 1 0 452.607 2.760 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294474691 1062027422 /nfs/dbraw/zinc/02/74/22/1062027422.db2.gz QEYUSYJNJLCHNI-FQEVSTJZSA-N 1 0 465.689 2.923 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)C1 ZINC001294475967 1062028589 /nfs/dbraw/zinc/02/85/89/1062028589.db2.gz YATWBZCJTJHVCH-ZJOUEHCJSA-N 1 0 462.664 2.853 20 0 JFADRO COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1=O ZINC001294480494 1062030737 /nfs/dbraw/zinc/03/07/37/1062030737.db2.gz FXWTVGSSCOMSNL-VQIMIIECSA-N 1 0 459.543 2.808 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CC1 ZINC001287047036 1062031095 /nfs/dbraw/zinc/03/10/95/1062031095.db2.gz ZVGXSJUFAFUGMP-QGZVFWFLSA-N 1 0 467.039 2.588 20 0 JFADRO Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001290305268 1062032411 /nfs/dbraw/zinc/03/24/11/1062032411.db2.gz VEBDJKCJDGMRCR-LJQANCHMSA-N 1 0 486.642 2.859 20 0 JFADRO CC(C)(C)OC(=O)NCc1cc(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC001290311286 1062036434 /nfs/dbraw/zinc/03/64/34/1062036434.db2.gz WGAPJKXIXKUHSL-UHFFFAOYSA-N 1 0 453.587 2.654 20 0 JFADRO CC(C)(C)NC(=O)N1CCN(c2nnc(CCc3ccccc3)n2CC[NH+]2CCCC2)CC1 ZINC001287048497 1062038506 /nfs/dbraw/zinc/03/85/06/1062038506.db2.gz XTEGBGYAAMPBIL-UHFFFAOYSA-N 1 0 453.635 2.789 20 0 JFADRO CC(C)(C)NC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC001287048636 1062039035 /nfs/dbraw/zinc/03/90/35/1062039035.db2.gz ZDYDVHHLBBQUCY-UHFFFAOYSA-N 1 0 475.682 2.851 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCC(C(N)=O)CC3)n2CCC[NH+]2CCCC2)C1 ZINC001287049318 1062042510 /nfs/dbraw/zinc/04/25/10/1062042510.db2.gz OVMUUQMMQDZYQP-FQEVSTJZSA-N 1 0 489.665 2.580 20 0 JFADRO Cc1csc([C@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+](C)C3CCCC3)C2)n1 ZINC001290318976 1062043119 /nfs/dbraw/zinc/04/31/19/1062043119.db2.gz PQEFELHNMUXBOR-MSOLQXFVSA-N 1 0 495.719 2.912 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001294506382 1062043997 /nfs/dbraw/zinc/04/39/97/1062043997.db2.gz RGGQSOIWOINAMC-DEOSSOPVSA-N 1 0 491.036 2.589 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001294507073 1062044550 /nfs/dbraw/zinc/04/45/50/1062044550.db2.gz XOPHMSCQCNJKGL-UHFFFAOYSA-N 1 0 491.040 2.737 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294506885 1062044715 /nfs/dbraw/zinc/04/47/15/1062044715.db2.gz MZAIBLUGCYAITQ-IBGZPJMESA-N 1 0 450.591 2.769 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccc(Br)s2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294507849 1062045828 /nfs/dbraw/zinc/04/58/28/1062045828.db2.gz VRQPHSHRAPBMPQ-UHFFFAOYSA-N 1 0 499.479 2.796 20 0 JFADRO Cc1csc([C@@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCOCC[NH+](C)C)CCO2)n1 ZINC001290323421 1062048892 /nfs/dbraw/zinc/04/88/92/1062048892.db2.gz UMPSPLNYEMZRJE-FQEVSTJZSA-N 1 0 474.606 2.929 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001294514860 1062050535 /nfs/dbraw/zinc/05/05/35/1062050535.db2.gz WIQCYNIGFLEAFY-UHFFFAOYSA-N 1 0 490.052 2.905 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001294515399 1062051660 /nfs/dbraw/zinc/05/16/60/1062051660.db2.gz GGRXDDVUBCMILF-KRWDZBQOSA-N 1 0 467.574 2.715 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001294521462 1062057041 /nfs/dbraw/zinc/05/70/41/1062057041.db2.gz NKAUQRXBBLBKNW-RBUKOAKNSA-N 1 0 461.611 2.988 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2ccccc2)C1 ZINC001294523168 1062059160 /nfs/dbraw/zinc/05/91/60/1062059160.db2.gz XIDXTZHSDCLOIJ-FCHUYYIVSA-N 1 0 459.660 2.981 20 0 JFADRO CCC[N@H+](CC)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001294523359 1062059277 /nfs/dbraw/zinc/05/92/77/1062059277.db2.gz YKICXLUPXBYUFE-FQEVSTJZSA-N 1 0 491.681 2.839 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2ccccc2)C1 ZINC001294523171 1062059452 /nfs/dbraw/zinc/05/94/52/1062059452.db2.gz XIDXTZHSDCLOIJ-FGZHOGPDSA-N 1 0 459.660 2.981 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](CC)C1 ZINC001294523554 1062060147 /nfs/dbraw/zinc/06/01/47/1062060147.db2.gz WPAGXFYZHHTLCS-PMACEKPBSA-N 1 0 480.654 2.934 20 0 JFADRO CCC[N@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC001294523384 1062060232 /nfs/dbraw/zinc/06/02/32/1062060232.db2.gz UCLPEPDMXGHEIS-IBGZPJMESA-N 1 0 468.654 2.751 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 ZINC001294523913 1062060858 /nfs/dbraw/zinc/06/08/58/1062060858.db2.gz HYLMQVZVTKPHFE-QUCCMNQESA-N 1 0 470.618 2.657 20 0 JFADRO 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/nfs/dbraw/zinc/20/64/11/1062206411.db2.gz RXZKJNFIJJJICU-WOJBJXKFSA-N 1 0 462.639 2.961 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC(C)(C)C3)n2CCC[NH+]2CCC(O)CC2)cs1 ZINC001290439195 1062206838 /nfs/dbraw/zinc/20/68/38/1062206838.db2.gz DZFCDEGNPKTKAM-UHFFFAOYSA-N 1 0 450.678 2.812 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001294659163 1062207401 /nfs/dbraw/zinc/20/74/01/1062207401.db2.gz UGYKKAGYIYQSAB-HSALFYBXSA-N 1 0 462.639 2.960 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001294659476 1062207879 /nfs/dbraw/zinc/20/78/79/1062207879.db2.gz WNZQMUPGXKZUNG-OAQYLSRUSA-N 1 0 475.682 2.924 20 0 JFADRO Cc1nc(Cc2nnc(N3CCS(=O)CC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC001290440415 1062208639 /nfs/dbraw/zinc/20/86/39/1062208639.db2.gz SOEFOFUFRPHJDZ-QGZVFWFLSA-N 1 0 450.678 2.715 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001294659896 1062208907 /nfs/dbraw/zinc/20/89/07/1062208907.db2.gz XYSZCPHHYPGNQC-QGZVFWFLSA-N 1 0 480.617 2.534 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294660991 1062211039 /nfs/dbraw/zinc/21/10/39/1062211039.db2.gz HYNDZBPVBGOQNG-CTNGQTDRSA-N 1 0 463.623 2.753 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCOC(C)(C)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC001287073269 1062211680 /nfs/dbraw/zinc/21/16/80/1062211680.db2.gz BRULKTOIYXNSHW-ZCNNSNEGSA-N 1 0 492.665 2.511 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294661540 1062212336 /nfs/dbraw/zinc/21/23/36/1062212336.db2.gz QHPOAJCGXMAURD-IFMALSPDSA-N 1 0 475.037 2.596 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001294661650 1062212684 /nfs/dbraw/zinc/21/26/84/1062212684.db2.gz SPCBPUYPXDWFJC-SFHVURJKSA-N 1 0 460.573 2.971 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001294661725 1062212987 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CMEBVROPZDPPOT-SFHVURJKSA-N 1 0 460.627 2.511 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN([C@H](C)c3nc(C)no3)CC2)CC1 ZINC001294666338 1062219364 /nfs/dbraw/zinc/21/93/64/1062219364.db2.gz CMEBVROPZDPPOT-GOSISDBHSA-N 1 0 460.627 2.511 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC001294667393 1062221525 /nfs/dbraw/zinc/22/15/25/1062221525.db2.gz ZKDNDPYLQROQFZ-UHFFFAOYSA-N 1 0 486.636 2.967 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294667399 1062222327 /nfs/dbraw/zinc/22/23/27/1062222327.db2.gz ZPGDKGGYULRHOG-VQTJNVASSA-N 1 0 491.658 2.611 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C(=O)OC(C)(C)C)CC3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001294668807 1062223935 /nfs/dbraw/zinc/22/39/35/1062223935.db2.gz DEJPMMDXGPPYHE-NBGIEHNGSA-N 1 0 492.665 2.719 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(N3CCN(C(=O)c4ccccc4O)CC3)nnc2C(C)(C)C)C1 ZINC001294669365 1062225590 /nfs/dbraw/zinc/22/55/90/1062225590.db2.gz IXPDYHFCBFVJHB-IBGZPJMESA-N 1 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1 0 461.529 2.502 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001294675171 1062235854 /nfs/dbraw/zinc/23/58/54/1062235854.db2.gz SRXHYKJPESGVLR-UHFFFAOYSA-N 1 0 465.643 2.594 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@]2(O)CCOC2)CC1 ZINC001294676120 1062237581 /nfs/dbraw/zinc/23/75/81/1062237581.db2.gz ZUFNDBFKILTUAH-OAQYLSRUSA-N 1 0 481.439 2.508 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NC(C)C)CC1 ZINC001294676632 1062237981 /nfs/dbraw/zinc/23/79/81/1062237981.db2.gz ABCIGLVJHHOUCX-UHFFFAOYSA-N 1 0 458.607 2.798 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CCC)CCC2)CC1 ZINC001294683100 1062241945 /nfs/dbraw/zinc/24/19/45/1062241945.db2.gz LGRSKYQAXRJOGT-OAQYLSRUSA-N 1 0 496.722 2.892 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 ZINC001294683199 1062242312 /nfs/dbraw/zinc/24/23/12/1062242312.db2.gz FBGFFFRARMUOLU-UHFFFAOYSA-N 1 0 483.642 2.639 20 0 JFADRO CC(C)(C)OCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001287083210 1062243447 /nfs/dbraw/zinc/24/34/47/1062243447.db2.gz ZAEYREKSEXVZSW-UHFFFAOYSA-N 1 0 490.599 2.707 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001294684573 1062244834 /nfs/dbraw/zinc/24/48/34/1062244834.db2.gz RVIKEPWCMVEAFJ-GOSISDBHSA-N 1 0 461.998 2.667 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CCNC(=O)C(C)C)CC1 ZINC001294684990 1062245312 /nfs/dbraw/zinc/24/53/12/1062245312.db2.gz ZYKPRNUSPVEUKQ-JOCHJYFZSA-N 1 0 470.618 2.873 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)CC1 ZINC001294684663 1062245438 /nfs/dbraw/zinc/24/54/38/1062245438.db2.gz WMDCTIVAGIMZJM-NRFANRHFSA-N 1 0 470.618 2.873 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001294685180 1062245700 /nfs/dbraw/zinc/24/57/00/1062245700.db2.gz CAROSXCMYYNQAG-UHFFFAOYSA-N 1 0 489.690 2.743 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001294685175 1062245778 /nfs/dbraw/zinc/24/57/78/1062245778.db2.gz BXIPATPVRIZBQA-UHFFFAOYSA-N 1 0 480.704 2.769 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)CC1 ZINC001294685616 1062246379 /nfs/dbraw/zinc/24/63/79/1062246379.db2.gz HMRVHEVYEIRGQH-UHFFFAOYSA-N 1 0 488.687 2.983 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@H]2C)CC1 ZINC001294686915 1062247599 /nfs/dbraw/zinc/24/75/99/1062247599.db2.gz QMWKPKSTDMQBPO-GOSISDBHSA-N 1 0 461.680 2.665 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2csc([C@@H](C)OC)n2)CC1 ZINC001294687228 1062248115 /nfs/dbraw/zinc/24/81/15/1062248115.db2.gz XCHQBNKQRKDLIU-QGZVFWFLSA-N 1 0 475.663 2.923 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001294688428 1062248686 /nfs/dbraw/zinc/24/86/86/1062248686.db2.gz YQEZPZFBDWVDDM-UHFFFAOYSA-N 1 0 451.623 2.969 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001294692374 1062251793 /nfs/dbraw/zinc/25/17/93/1062251793.db2.gz ARVQTCNRGFEJPB-LEWJYISDSA-N 1 0 482.633 2.542 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 ZINC001294692879 1062252577 /nfs/dbraw/zinc/25/25/77/1062252577.db2.gz DRDPMHUECNITRS-YESZJQIVSA-N 1 0 462.611 2.634 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001294696263 1062257863 /nfs/dbraw/zinc/25/78/63/1062257863.db2.gz DMQNQEYWDKAVTQ-QHCPKHFHSA-N 1 0 482.677 2.595 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC001294696127 1062258027 /nfs/dbraw/zinc/25/80/27/1062258027.db2.gz QTYRYLQFUVJQAJ-DXBBTUNJSA-N 1 0 496.722 2.796 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001294698077 1062260240 /nfs/dbraw/zinc/26/02/40/1062260240.db2.gz WQHZATVJTAZRLO-YJLYGGOZSA-N 1 0 459.639 2.871 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001294698215 1062260618 /nfs/dbraw/zinc/26/06/18/1062260618.db2.gz IYOIIFAKBNJJOU-HXUWFJFHSA-N 1 0 457.623 2.517 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001294698468 1062260979 /nfs/dbraw/zinc/26/09/79/1062260979.db2.gz XRIWXOZUYTUFOI-CEWLAPEOSA-N 1 0 482.695 2.548 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)cs1 ZINC001290470229 1062261537 /nfs/dbraw/zinc/26/15/37/1062261537.db2.gz YWKAXQYOCLSFIF-IBGZPJMESA-N 1 0 461.680 2.532 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(N)=O)cc1 ZINC001290470822 1062262216 /nfs/dbraw/zinc/26/22/16/1062262216.db2.gz OLUWENUQGODBDC-FQEVSTJZSA-N 1 0 455.559 2.819 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(=O)COC)CC1 ZINC001294699501 1062263147 /nfs/dbraw/zinc/26/31/47/1062263147.db2.gz PYJYZNUTMSIUDB-NRFANRHFSA-N 1 0 484.645 2.950 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294699398 1062263463 /nfs/dbraw/zinc/26/34/63/1062263463.db2.gz PKXJJJSOSBGKMP-OALUTQOASA-N 1 0 478.638 2.819 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294699505 1062264115 /nfs/dbraw/zinc/26/41/15/1062264115.db2.gz OSINPPOHQACOEO-HXUWFJFHSA-N 1 0 478.663 2.877 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 ZINC001294699666 1062264415 /nfs/dbraw/zinc/26/44/15/1062264415.db2.gz RGTIPCXDHWJHOI-OAQYLSRUSA-N 1 0 456.639 2.684 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287087029 1062265594 /nfs/dbraw/zinc/26/55/94/1062265594.db2.gz RAGNFQUEARIQCT-MQSCRBSSSA-N 1 0 490.693 2.525 20 0 JFADRO Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC001290481162 1062270988 /nfs/dbraw/zinc/27/09/88/1062270988.db2.gz RTADBDQMPLWOAJ-AEFFLSMTSA-N 1 0 466.677 2.846 20 0 JFADRO Cc1ncc(CN(C)c2nnc(Cc3ccncc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)s1 ZINC001290482170 1062271951 /nfs/dbraw/zinc/27/19/51/1062271951.db2.gz GIYKLLSMJUNSSY-NRFANRHFSA-N 1 0 482.658 2.608 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294708016 1062272764 /nfs/dbraw/zinc/27/27/64/1062272764.db2.gz PTOAKOZXUJMEIW-RTWAWAEBSA-N 1 0 463.623 2.896 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294708017 1062273805 /nfs/dbraw/zinc/27/38/05/1062273805.db2.gz PTOAKOZXUJMEIW-SFTDATJTSA-N 1 0 463.623 2.896 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC001294708524 1062275580 /nfs/dbraw/zinc/27/55/80/1062275580.db2.gz RHBNUNPJBJETBO-ZLNRFVROSA-N 1 0 489.709 2.821 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 ZINC001294709150 1062276873 /nfs/dbraw/zinc/27/68/73/1062276873.db2.gz GYFANZFJASYBQN-OPYAIIAOSA-N 1 0 475.556 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001294709143 1062276908 /nfs/dbraw/zinc/27/69/08/1062276908.db2.gz GYFANZFJASYBQN-DBXWQHBBSA-N 1 0 475.556 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001294709422 1062277404 /nfs/dbraw/zinc/27/74/04/1062277404.db2.gz LOEZQHPOEPDUQQ-TZIWHRDSSA-N 1 0 454.619 2.809 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294712172 1062281617 /nfs/dbraw/zinc/28/16/17/1062281617.db2.gz QEVJXXGXOIKKGT-OKZBNKHCSA-N 1 0 472.556 2.899 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294712596 1062282953 /nfs/dbraw/zinc/28/29/53/1062282953.db2.gz UPCMXPFUIZUBCR-AZUAARDMSA-N 1 0 487.674 2.591 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001294712704 1062283440 /nfs/dbraw/zinc/28/34/40/1062283440.db2.gz STRWRMIJTHHSFX-HSALFYBXSA-N 1 0 453.653 2.798 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713127 1062283607 /nfs/dbraw/zinc/28/36/07/1062283607.db2.gz TYYZGJYNWYPDKH-OALUTQOASA-N 1 0 459.639 2.607 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294712973 1062284842 /nfs/dbraw/zinc/28/48/42/1062284842.db2.gz WTHSIEVGNWGJNQ-RTWAWAEBSA-N 1 0 494.731 2.961 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001294713168 1062285649 /nfs/dbraw/zinc/28/56/49/1062285649.db2.gz UQBKWPFTQHNFRF-MYDTUXCISA-N 1 0 490.693 2.803 20 0 JFADRO Cc1ncc(CN2CCN(c3nnc(-c4ccccc4)n3CCOCC[NH+](C)C)CC2)s1 ZINC001290496796 1062286791 /nfs/dbraw/zinc/28/67/91/1062286791.db2.gz TTYWOFUQFWJFHP-UHFFFAOYSA-N 1 0 455.632 2.610 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001294713727 1062287441 /nfs/dbraw/zinc/28/74/41/1062287441.db2.gz ZRBAUSCPEPXHJW-BWKNWUBXSA-N 1 0 476.666 2.642 20 0 JFADRO CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C[NH+]1CCCC1 ZINC001287093474 1062292269 /nfs/dbraw/zinc/29/22/69/1062292269.db2.gz BMPNFLHQINWOMD-INIZCTEOSA-N 1 0 470.540 2.699 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H](C)[NH+]2CCCCC2)CC1=O ZINC001294719470 1062292700 /nfs/dbraw/zinc/29/27/00/1062292700.db2.gz GEHHRIUZAWGPSL-SQJMNOBHSA-N 1 0 476.666 2.643 20 0 JFADRO Cc1nccc(N2CCN(c3nnc(CC(C)(C)C)n3CCC[N@@H+]3CCCO[C@H](C)C3)CC2)n1 ZINC001290501762 1062294413 /nfs/dbraw/zinc/29/44/13/1062294413.db2.gz RMBWWRWANSLNMK-HXUWFJFHSA-N 1 0 470.666 2.793 20 0 JFADRO CC(C)(O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001287095885 1062299884 /nfs/dbraw/zinc/29/98/84/1062299884.db2.gz JWSOJGCFUIMLDQ-UHFFFAOYSA-N 1 0 461.010 2.504 20 0 JFADRO CCCN1CCCN(c2nnc(-c3ccccc3C)n2CCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC001294724454 1062304669 /nfs/dbraw/zinc/30/46/69/1062304669.db2.gz PRLGWXUFOXIVHY-QFIPXVFZSA-N 1 0 468.646 2.939 20 0 JFADRO CC(C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001287098205 1062304756 /nfs/dbraw/zinc/30/47/56/1062304756.db2.gz FBMZSCLGVWUTJR-LJQANCHMSA-N 1 0 489.418 2.662 20 0 JFADRO CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001287099409 1062307876 /nfs/dbraw/zinc/30/78/76/1062307876.db2.gz AMSMNAIXLOSGKG-UHFFFAOYSA-N 1 0 476.931 2.855 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001294733198 1062314424 /nfs/dbraw/zinc/31/44/24/1062314424.db2.gz LBRUHQHFDKLAPM-YADHBBJMSA-N 1 0 454.619 2.842 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294733665 1062315448 /nfs/dbraw/zinc/31/54/48/1062315448.db2.gz MSODWNUOILOXSZ-PKTZIBPZSA-N 1 0 490.693 2.758 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1=O ZINC001294734093 1062316668 /nfs/dbraw/zinc/31/66/68/1062316668.db2.gz OKHPLARXXCHHSO-OAQYLSRUSA-N 1 0 486.636 2.958 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001287108741 1062320650 /nfs/dbraw/zinc/32/06/50/1062320650.db2.gz DKZIIENYHBVRTD-QFIPXVFZSA-N 1 0 454.619 2.609 20 0 JFADRO CCCN1CCCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC[NH+]2CCC(O)CC2)CC1=O ZINC001294738907 1062321969 /nfs/dbraw/zinc/32/19/69/1062321969.db2.gz APIWKLBOENNINK-UHFFFAOYSA-N 1 0 498.672 2.769 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001287109502 1062322927 /nfs/dbraw/zinc/32/29/27/1062322927.db2.gz JQMQFRKGSGIFAV-HSZRJFAPSA-N 1 0 468.646 2.977 20 0 JFADRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741894 1062328167 /nfs/dbraw/zinc/32/81/67/1062328167.db2.gz SRONZDAMFXGAQO-LRDDRELGSA-N 1 0 453.914 2.580 20 0 JFADRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741895 1062328214 /nfs/dbraw/zinc/32/82/14/1062328214.db2.gz SRONZDAMFXGAQO-MLGOLLRUSA-N 1 0 453.914 2.580 20 0 JFADRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294741897 1062328535 /nfs/dbraw/zinc/32/85/35/1062328535.db2.gz SRONZDAMFXGAQO-WBMJQRKESA-N 1 0 453.914 2.580 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)CC1 ZINC001287113040 1062331482 /nfs/dbraw/zinc/33/14/82/1062331482.db2.gz BAWDJQFDIJZKFF-IBGZPJMESA-N 1 0 490.649 2.911 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001287113260 1062332455 /nfs/dbraw/zinc/33/24/55/1062332455.db2.gz DNVNAGHKCHBQRL-UHFFFAOYSA-N 1 0 475.037 2.750 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001294744441 1062336008 /nfs/dbraw/zinc/33/60/08/1062336008.db2.gz UGQBYKWQNDUPJP-SFHVURJKSA-N 1 0 455.607 2.818 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001294744312 1062336096 /nfs/dbraw/zinc/33/60/96/1062336096.db2.gz QWAMQGJNTUHIKL-SFTDATJTSA-N 1 0 487.693 2.767 20 0 JFADRO Cc1nccnc1N1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001290537388 1062337098 /nfs/dbraw/zinc/33/70/98/1062337098.db2.gz BBAJQUGWDMJSND-OAQYLSRUSA-N 1 0 470.666 2.649 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+]1CCCC[C@@H]1C ZINC001290537404 1062337313 /nfs/dbraw/zinc/33/73/13/1062337313.db2.gz BGXFTLJRGFUIKY-SFHVURJKSA-N 1 0 456.639 2.765 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001294745555 1062337616 /nfs/dbraw/zinc/33/76/16/1062337616.db2.gz RTXUXRDOUXPZBE-VXKWHMMOSA-N 1 0 474.675 2.776 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)CC1 ZINC001287114845 1062338921 /nfs/dbraw/zinc/33/89/21/1062338921.db2.gz SLEJPXVFKIGNCG-FQEVSTJZSA-N 1 0 489.665 2.751 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001287115109 1062340440 /nfs/dbraw/zinc/34/04/40/1062340440.db2.gz AXODFMFTSQNHIN-JOCHJYFZSA-N 1 0 499.635 2.526 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C2CCCCC2)C1 ZINC001287115194 1062340881 /nfs/dbraw/zinc/34/08/81/1062340881.db2.gz CSOXBZRRPKDSBN-HXUWFJFHSA-N 1 0 496.660 2.931 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[NH+]1CCC(O)CC1 ZINC001290542460 1062343270 /nfs/dbraw/zinc/34/32/70/1062343270.db2.gz HSQFFYUFDXHPPS-UHFFFAOYSA-N 1 0 473.025 2.827 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)(CC)C1 ZINC001294754547 1062343948 /nfs/dbraw/zinc/34/39/48/1062343948.db2.gz FSYXIMCVALKDJK-VQTJNVASSA-N 1 0 482.695 2.502 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001294754730 1062344188 /nfs/dbraw/zinc/34/41/88/1062344188.db2.gz IETMLAIORKXADM-DLBZAZTESA-N 1 0 467.586 2.645 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC001294754933 1062345027 /nfs/dbraw/zinc/34/50/27/1062345027.db2.gz KPTQCUKAPFXVDO-LADGPHEKSA-N 1 0 467.662 2.700 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001294755228 1062345469 /nfs/dbraw/zinc/34/54/69/1062345469.db2.gz NIXAVGKQMAEFDB-NRFANRHFSA-N 1 0 495.093 2.868 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001287116196 1062345666 /nfs/dbraw/zinc/34/56/66/1062345666.db2.gz KQGCXTHPEUWLEL-KRWDZBQOSA-N 1 0 460.573 2.934 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001294756795 1062346681 /nfs/dbraw/zinc/34/66/81/1062346681.db2.gz GIHIJBQIRISUBB-NRFANRHFSA-N 1 0 489.686 2.960 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC001287116576 1062347115 /nfs/dbraw/zinc/34/71/15/1062347115.db2.gz UZDYRHFQYXKRPU-FGZHOGPDSA-N 1 0 499.635 2.697 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001294757164 1062347553 /nfs/dbraw/zinc/34/75/53/1062347553.db2.gz JSQOCZWTOHFLJL-CTNGQTDRSA-N 1 0 459.664 2.861 20 0 JFADRO 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Cc1cc(C)n(Cc2nnc(N3CC[C@H](CNC(=O)OC(C)(C)C)C3)n2C[C@H](C2CC2)[NH+](C)C)n1 ZINC001290625179 1062494462 /nfs/dbraw/zinc/49/44/62/1062494462.db2.gz IVBXCVSDYGGDPV-TZIWHRDSSA-N 1 0 486.665 2.831 20 0 JFADRO CCN1CCC([NH+]2CCC(C(=O)N3CCc4cc(OC)c(OC)c(OC)c4CC3)CC2)CC1 ZINC001294819700 1062500156 /nfs/dbraw/zinc/50/01/56/1062500156.db2.gz DZPGRTBJCQJGQG-UHFFFAOYSA-N 1 0 459.631 2.836 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2CCOC(C)C)n1 ZINC001290626521 1062500133 /nfs/dbraw/zinc/50/01/33/1062500133.db2.gz ZZMYSBWHENHVHS-SZPZYZBQSA-N 1 0 473.666 2.890 20 0 JFADRO CC(C)C(=O)NCCn1c(Cc2ccccn2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001287141579 1062501228 /nfs/dbraw/zinc/50/12/28/1062501228.db2.gz OPSQXSXEWDCRGM-UHFFFAOYSA-N 1 0 453.635 2.738 20 0 JFADRO CC(C)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001287142437 1062504199 /nfs/dbraw/zinc/50/41/99/1062504199.db2.gz IAENXWYSEYAHHC-FQEVSTJZSA-N 1 0 481.707 2.944 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(Cc4ccc(F)cc4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290631320 1062505552 /nfs/dbraw/zinc/50/55/52/1062505552.db2.gz GHHVJTPOGSDCPY-FQEVSTJZSA-N 1 0 469.609 2.803 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(=O)NC4CC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001290632769 1062510365 /nfs/dbraw/zinc/51/03/65/1062510365.db2.gz KVSVESLJECUQHX-RBBKRZOGSA-N 1 0 470.666 2.611 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001287146506 1062512593 /nfs/dbraw/zinc/51/25/93/1062512593.db2.gz ATHNJAZEGISYPO-NRFANRHFSA-N 1 0 470.540 2.838 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001294827763 1062514045 /nfs/dbraw/zinc/51/40/45/1062514045.db2.gz GSBMRRRDOZYXJS-ONTIZHBOSA-N 1 0 487.693 2.730 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001294828104 1062514696 /nfs/dbraw/zinc/51/46/96/1062514696.db2.gz JURTWADLJDUMNV-OAQYLSRUSA-N 1 0 472.609 2.796 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001294828409 1062515355 /nfs/dbraw/zinc/51/53/55/1062515355.db2.gz KWEQUNQYRBCOLE-QFIPXVFZSA-N 1 0 454.619 2.635 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001287150494 1062520068 /nfs/dbraw/zinc/52/00/68/1062520068.db2.gz LCABQTWBPDTEGF-RUZDIDTESA-N 1 0 456.635 2.752 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001287150323 1062520342 /nfs/dbraw/zinc/52/03/42/1062520342.db2.gz JTBJXOSYSBTWQY-NLFFAJNJSA-N 1 0 459.610 2.964 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC[NH+]2CCCCC2)CC1 ZINC001294832810 1062521361 /nfs/dbraw/zinc/52/13/61/1062521361.db2.gz RQEVWAQJEFHFND-UHFFFAOYSA-N 1 0 453.635 2.883 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCN(C(=O)c4ccsc4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290638747 1062522318 /nfs/dbraw/zinc/52/23/18/1062522318.db2.gz CYGWXLNYWAGUEJ-LJQANCHMSA-N 1 0 470.647 2.504 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001294833917 1062523513 /nfs/dbraw/zinc/52/35/13/1062523513.db2.gz JPBAWPBZJIMLIW-SQOUVECCSA-N 1 0 490.693 2.865 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCN(CC(F)(F)F)CC3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290640418 1062526999 /nfs/dbraw/zinc/52/69/99/1062526999.db2.gz QXIQYVROBYGJOV-UHFFFAOYSA-N 1 0 456.561 2.554 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@H](C)C(F)(F)F)CC3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001290640956 1062528470 /nfs/dbraw/zinc/52/84/70/1062528470.db2.gz MRMXINDJGPDCSH-ZWKOTPCHSA-N 1 0 468.572 2.695 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001287153303 1062531475 /nfs/dbraw/zinc/53/14/75/1062531475.db2.gz NYZDMUHFVKHZQV-LJQANCHMSA-N 1 0 460.667 2.768 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001287155539 1062539619 /nfs/dbraw/zinc/53/96/19/1062539619.db2.gz HTJIJVPXTOPUGR-OAQYLSRUSA-N 1 0 460.648 2.584 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCOC1)[NH+]1CCCC1 ZINC001287156347 1062542804 /nfs/dbraw/zinc/54/28/04/1062542804.db2.gz INVNZXLJVZWUNL-KNQAVFIVSA-N 1 0 475.659 2.942 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001287156850 1062544782 /nfs/dbraw/zinc/54/47/82/1062544782.db2.gz QNXMEHHSURVNJU-MSOLQXFVSA-N 1 0 489.690 2.597 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001287156852 1062545232 /nfs/dbraw/zinc/54/52/32/1062545232.db2.gz QNXMEHHSURVNJU-ROUUACIJSA-N 1 0 489.690 2.597 20 0 JFADRO CC(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)C(F)F)CC1)[NH+]1CCOCC1 ZINC001287156934 1062545611 /nfs/dbraw/zinc/54/56/11/1062545611.db2.gz RYIWKZJXJVHMJI-IBGZPJMESA-N 1 0 499.557 2.719 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290648866 1062546073 /nfs/dbraw/zinc/54/60/73/1062546073.db2.gz MLIOLWHSCOJLBK-ROUUACIJSA-N 1 0 457.545 2.884 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287158256 1062550479 /nfs/dbraw/zinc/55/04/79/1062550479.db2.gz RQMONNSMFKHKJC-LPHOPBHVSA-N 1 0 492.466 2.868 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@@H]4CN(C(=O)OC(C)(C)C)C[C@@H]4C3)n2CC[N@@H+](C)C(C)C)n1 ZINC001290653482 1062552010 /nfs/dbraw/zinc/55/20/10/1062552010.db2.gz RDAXRWAEINTSOK-OYRHEFFESA-N 1 0 486.665 2.783 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158603 1062552160 /nfs/dbraw/zinc/55/21/60/1062552160.db2.gz FUNUUCRNAAKFPE-KAOXLYBCSA-N 1 0 462.683 2.838 20 0 JFADRO CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001287158664 1062552364 /nfs/dbraw/zinc/55/23/64/1062552364.db2.gz GWKXPLYRNKYYAN-PMACEKPBSA-N 1 0 462.639 2.863 20 0 JFADRO CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001294851639 1062552749 /nfs/dbraw/zinc/55/27/49/1062552749.db2.gz YLYLPROGAJPTHW-UHFFFAOYSA-N 1 0 456.639 2.687 20 0 JFADRO NC(=O)[C@H]1CC(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)=NN1c1ccc(F)cc1 ZINC001294855839 1062555757 /nfs/dbraw/zinc/55/57/57/1062555757.db2.gz AIVFRDIGVKTHHI-JOCHJYFZSA-N 1 0 453.518 2.749 20 0 JFADRO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)[NH+]3CCCCC3)C2)n1 ZINC001290655881 1062556314 /nfs/dbraw/zinc/55/63/14/1062556314.db2.gz CVUCNEDHXCVJCA-NRFANRHFSA-N 1 0 485.681 2.806 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)NC(C)(C)C)[NH+]1CCCC1 ZINC001287160283 1062558368 /nfs/dbraw/zinc/55/83/68/1062558368.db2.gz HNMJUPPVGSGVSG-OAQYLSRUSA-N 1 0 480.661 2.988 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+]1CCCC1 ZINC001287163279 1062568176 /nfs/dbraw/zinc/56/81/76/1062568176.db2.gz WAVYVSZMUSTPDF-SFTDATJTSA-N 1 0 463.623 2.752 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001287163492 1062569710 /nfs/dbraw/zinc/56/97/10/1062569710.db2.gz WGKAHDLHDTXKND-QHCPKHFHSA-N 1 0 469.678 2.931 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(-c4cccnc4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001290661283 1062570037 /nfs/dbraw/zinc/57/00/37/1062570037.db2.gz VJHAWLQIRCTDRH-JOCHJYFZSA-N 1 0 452.607 2.789 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001287163600 1062570567 /nfs/dbraw/zinc/57/05/67/1062570567.db2.gz RVFRCDBWFPXHEE-AABGKKOBSA-N 1 0 489.665 2.795 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287163634 1062570976 /nfs/dbraw/zinc/57/09/76/1062570976.db2.gz XCPQCDLBZCKPFJ-FGZHOGPDSA-N 1 0 474.675 2.788 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1)[NH+]1CCCC1 ZINC001287163665 1062571019 /nfs/dbraw/zinc/57/10/19/1062571019.db2.gz SKTSCLYSNYJLGX-PKOBYXMFSA-N 1 0 466.556 2.928 20 0 JFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868061 1062572705 /nfs/dbraw/zinc/57/27/05/1062572705.db2.gz PKCSPWGNQYMESR-CQOQZXRMSA-N 1 0 453.558 2.677 20 0 JFADRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001294868063 1062572827 /nfs/dbraw/zinc/57/28/27/1062572827.db2.gz PKCSPWGNQYMESR-WPFOTENUSA-N 1 0 453.558 2.677 20 0 JFADRO Cc1nnc([C@H]2CN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC[N@@H+](C)C(C)C)CCO2)o1 ZINC001290673752 1062583776 /nfs/dbraw/zinc/58/37/76/1062583776.db2.gz MMIWMZUYELFZNN-HXUWFJFHSA-N 1 0 482.589 2.757 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001294888081 1062608762 /nfs/dbraw/zinc/60/87/62/1062608762.db2.gz LBYDKYASUYEUNU-SFHVURJKSA-N 1 0 456.591 2.553 20 0 JFADRO CC(C)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001287187535 1062613563 /nfs/dbraw/zinc/61/35/63/1062613563.db2.gz XOMLQZYMPQTIRB-UXHICEINSA-N 1 0 491.681 2.886 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001294889568 1062615195 /nfs/dbraw/zinc/61/51/95/1062615195.db2.gz WEWSLOMRLNUHPU-UHFFFAOYSA-N 1 0 479.398 2.905 20 0 JFADRO CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001287191711 1062618222 /nfs/dbraw/zinc/61/82/22/1062618222.db2.gz KZCKPINBFNTGKW-QFIPXVFZSA-N 1 0 472.609 2.919 20 0 JFADRO CC(C)c1nnc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287193388 1062622573 /nfs/dbraw/zinc/62/25/73/1062622573.db2.gz PFUSBKSBUMKEMV-IFMALSPDSA-N 1 0 474.675 2.784 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC001290700213 1062634847 /nfs/dbraw/zinc/63/48/47/1062634847.db2.gz IFZYIGBMVCGSRW-HXUWFJFHSA-N 1 0 456.543 2.515 20 0 JFADRO CCNC(=O)CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001290699979 1062634952 /nfs/dbraw/zinc/63/49/52/1062634952.db2.gz CYMYSAKCBPTQJR-BJKOFHAPSA-N 1 0 469.029 2.836 20 0 JFADRO CCCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001294899864 1062636227 /nfs/dbraw/zinc/63/62/27/1062636227.db2.gz NFAIFSXBHQXVCC-FGZHOGPDSA-N 1 0 454.619 2.799 20 0 JFADRO CCCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001294905722 1062642854 /nfs/dbraw/zinc/64/28/54/1062642854.db2.gz YYNCVMXWZPWGMU-UHFFFAOYSA-N 1 0 497.692 2.537 20 0 JFADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001294910797 1062659428 /nfs/dbraw/zinc/65/94/28/1062659428.db2.gz UBXOUPPQTGNTEC-UHFFFAOYSA-N 1 0 467.643 2.791 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CCC[NH+](C(C)C)C(C)C ZINC001287209849 1062659398 /nfs/dbraw/zinc/65/93/98/1062659398.db2.gz MHFMDDVRAWCPFN-NRFANRHFSA-N 1 0 484.711 2.541 20 0 JFADRO CCCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001294911151 1062662552 /nfs/dbraw/zinc/66/25/52/1062662552.db2.gz XEMSVJBJKRUBOD-UHFFFAOYSA-N 1 0 454.619 2.881 20 0 JFADRO Cc1nnc(N(CCO)Cc2cc(Br)ccc2F)n1CC1([NH+](C)C)CCOCC1 ZINC001290745809 1062663979 /nfs/dbraw/zinc/66/39/79/1062663979.db2.gz HPGTYHHZRPHFOA-UHFFFAOYSA-N 1 0 470.387 2.598 20 0 JFADRO CCCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001294914303 1062671643 /nfs/dbraw/zinc/67/16/43/1062671643.db2.gz UULVYSIBDUAIET-QFIPXVFZSA-N 1 0 484.645 2.549 20 0 JFADRO Cc1nnc(N2CCC(C(=O)C(F)(F)F)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001290759537 1062671822 /nfs/dbraw/zinc/67/18/22/1062671822.db2.gz GJAIPHAGJOMTKS-LJQANCHMSA-N 1 0 451.493 2.549 20 0 JFADRO Cc1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290759579 1062672840 /nfs/dbraw/zinc/67/28/40/1062672840.db2.gz HOWXKOOIOGGFOQ-SVFBPWRDSA-N 1 0 454.619 2.964 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1ccccc1OC(F)F ZINC001287213918 1062674208 /nfs/dbraw/zinc/67/42/08/1062674208.db2.gz HJHSQBGYZIFKFA-GOSISDBHSA-N 1 0 462.545 2.794 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001287215166 1062682882 /nfs/dbraw/zinc/68/28/82/1062682882.db2.gz YYFZWFWLRLKVHN-JOCHJYFZSA-N 1 0 472.609 2.740 20 0 JFADRO CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001294921183 1062689117 /nfs/dbraw/zinc/68/91/17/1062689117.db2.gz YQZVVCGAIFGPQU-SFLYRZDNSA-N 1 0 484.645 2.629 20 0 JFADRO Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001290782397 1062692834 /nfs/dbraw/zinc/69/28/34/1062692834.db2.gz BHWDSGDFRYGNIR-UHFFFAOYSA-N 1 0 454.619 2.665 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC001294924645 1062694448 /nfs/dbraw/zinc/69/44/48/1062694448.db2.gz KBXPDIBVYUGQFQ-MSOLQXFVSA-N 1 0 470.618 2.892 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001287216904 1062695071 /nfs/dbraw/zinc/69/50/71/1062695071.db2.gz VNFQYZYNWIWJQT-GOSISDBHSA-N 1 0 450.628 2.694 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001287219786 1062702843 /nfs/dbraw/zinc/70/28/43/1062702843.db2.gz SICPBYSLLALXPK-UHFFFAOYSA-N 1 0 462.589 2.794 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccccc3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290800046 1062704582 /nfs/dbraw/zinc/70/45/82/1062704582.db2.gz BWLRSIDAXRSYQQ-KDURUIRLSA-N 1 0 454.619 2.873 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCCCC2)cc1OC ZINC001294934177 1062710939 /nfs/dbraw/zinc/71/09/39/1062710939.db2.gz HCRVTJHRRVSONU-FQEVSTJZSA-N 1 0 470.618 2.930 20 0 JFADRO CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001287224052 1062711680 /nfs/dbraw/zinc/71/16/80/1062711680.db2.gz RNQFYRNMTOSAOE-NRFANRHFSA-N 1 0 462.589 2.959 20 0 JFADRO CN1CC[N@H+](CCCNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@H](c2ccccc2)C1 ZINC001290819210 1062715053 /nfs/dbraw/zinc/71/50/53/1062715053.db2.gz CWUZEUNSESDFMM-CVDCTZTESA-N 1 0 456.537 2.813 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001290824225 1062718715 /nfs/dbraw/zinc/71/87/15/1062718715.db2.gz NTWFOKXEWONZQR-QHCPKHFHSA-N 1 0 474.675 2.729 20 0 JFADRO CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001287230489 1062718616 /nfs/dbraw/zinc/71/86/16/1062718616.db2.gz AWTQCDZCYGGUBG-KDURUIRLSA-N 1 0 462.639 2.815 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001294939731 1062721757 /nfs/dbraw/zinc/72/17/57/1062721757.db2.gz YXKDLTVBMXAWDQ-ICSRJNTNSA-N 1 0 470.618 2.894 20 0 JFADRO Cc1nnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001290828225 1062722284 /nfs/dbraw/zinc/72/22/84/1062722284.db2.gz JNSBVQDUTCEYPD-JTHBVZDNSA-N 1 0 454.619 2.590 20 0 JFADRO CC(C)[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287233105 1062725087 /nfs/dbraw/zinc/72/50/87/1062725087.db2.gz YOIFSDPVZYVMSP-IBGZPJMESA-N 1 0 455.607 2.645 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H](C2CC2)[NH+](C)C)cc1OC ZINC001294948343 1062733929 /nfs/dbraw/zinc/73/39/29/1062733929.db2.gz YIZUGCSEAJLMAX-LJQANCHMSA-N 1 0 461.632 2.651 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 ZINC001290862566 1062746272 /nfs/dbraw/zinc/74/62/72/1062746272.db2.gz QNDSSBCHNMHXNS-UHFFFAOYSA-N 1 0 451.546 2.762 20 0 JFADRO Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001290863195 1062746958 /nfs/dbraw/zinc/74/69/58/1062746958.db2.gz NBHWLSUEKPCLES-HNNXBMFYSA-N 1 0 454.406 2.583 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001290868420 1062751287 /nfs/dbraw/zinc/75/12/87/1062751287.db2.gz XTALMUVETCGOND-XMMPIXPASA-N 1 0 485.652 2.942 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001287274671 1062751307 /nfs/dbraw/zinc/75/13/07/1062751307.db2.gz UYVQPPUXRMFFPB-HSZRJFAPSA-N 1 0 484.645 2.558 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC(=O)N(C(C)C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870456 1062756038 /nfs/dbraw/zinc/75/60/38/1062756038.db2.gz SZGRPGYYRVUUQX-XMSQKQJNSA-N 1 0 453.002 2.921 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001290870848 1062756815 /nfs/dbraw/zinc/75/68/15/1062756815.db2.gz YMCISKIZQJDXLW-UHFFFAOYSA-N 1 0 471.625 2.998 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290870825 1062756986 /nfs/dbraw/zinc/75/69/86/1062756986.db2.gz YDBFUKWURKBGIH-ZJSXRUAMSA-N 1 0 467.662 2.535 20 0 JFADRO Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290871495 1062757033 /nfs/dbraw/zinc/75/70/33/1062757033.db2.gz DADSCGNJJCSRPZ-UHFFFAOYSA-N 1 0 458.504 2.598 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001287284434 1062758975 /nfs/dbraw/zinc/75/89/75/1062758975.db2.gz XMSUIPJZHNGNDX-PMACEKPBSA-N 1 0 459.664 2.794 20 0 JFADRO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001290886867 1062765605 /nfs/dbraw/zinc/76/56/05/1062765605.db2.gz CPQJUUJFZGJAAA-DHIUTWEWSA-N 1 0 484.645 2.881 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1CC[NH+]1CCSCC1 ZINC001290887153 1062765639 /nfs/dbraw/zinc/76/56/39/1062765639.db2.gz APAZZQHQUGXXJV-GOSISDBHSA-N 1 0 452.422 2.976 20 0 JFADRO Cc1nnc(N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001290887419 1062766403 /nfs/dbraw/zinc/76/64/03/1062766403.db2.gz FAWHIEFKMFEMQW-LEWJYISDSA-N 1 0 479.000 2.900 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3ccccc3Br)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001290887568 1062767097 /nfs/dbraw/zinc/76/70/97/1062767097.db2.gz FYSCZKBQYOTWGG-PXNSSMCTSA-N 1 0 464.408 2.774 20 0 JFADRO Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001290888605 1062767576 /nfs/dbraw/zinc/76/75/76/1062767576.db2.gz WXSWAJQLXXNFFY-RXVVDRJESA-N 1 0 458.607 2.837 20 0 JFADRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CN(C)C(=O)CN3C(=O)OC(C)(C)C)cc2)C1 ZINC001290892080 1062769635 /nfs/dbraw/zinc/76/96/35/1062769635.db2.gz RSDQJQFUCSNLGN-RXVVDRJESA-N 1 0 458.603 2.612 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CC[N@H+](C)C2)CCS1 ZINC001287299063 1062772354 /nfs/dbraw/zinc/77/23/54/1062772354.db2.gz MKESZRSFCUWKJN-GLDPYIMESA-N 1 0 494.706 2.995 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc([C@@H]4CCCOC4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001290902758 1062777040 /nfs/dbraw/zinc/77/70/40/1062777040.db2.gz OFXVQSRRBTXJEJ-PZJWPPBQSA-N 1 0 474.654 2.866 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001294997383 1062784346 /nfs/dbraw/zinc/78/43/46/1062784346.db2.gz RGKFXXIQBWTBOT-XUVXKRRUSA-N 1 0 470.684 2.548 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001294998668 1062784816 /nfs/dbraw/zinc/78/48/16/1062784816.db2.gz OGSNUUHGESBGLY-MOPGFXCFSA-N 1 0 464.680 2.842 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001287319017 1062790898 /nfs/dbraw/zinc/79/08/98/1062790898.db2.gz GVESQAUZUTXERQ-JOCHJYFZSA-N 1 0 487.693 2.719 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OCCC[C@H]2C1)[NH+](C)C ZINC001287319067 1062790915 /nfs/dbraw/zinc/79/09/15/1062790915.db2.gz HAFSSBZDUXHXHL-XUVXKRRUSA-N 1 0 455.607 2.907 20 0 JFADRO Cc1noc(C)c1CCn1c(CC(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001290917689 1062793097 /nfs/dbraw/zinc/79/30/97/1062793097.db2.gz IFSZBQICDHCVSP-JOCHJYFZSA-N 1 0 473.666 2.555 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)cc2)CC1 ZINC001290920038 1062795107 /nfs/dbraw/zinc/79/51/07/1062795107.db2.gz BVJDYTTXBGWYKA-LJQANCHMSA-N 1 0 454.562 2.989 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3nccn4c(Br)cnc34)cc2)CC1 ZINC001290920398 1062795993 /nfs/dbraw/zinc/79/59/93/1062795993.db2.gz IMGNSVIBHRNQMG-UHFFFAOYSA-N 1 0 457.376 2.559 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001287321456 1062797991 /nfs/dbraw/zinc/79/79/91/1062797991.db2.gz HMTHJPYJXPIIJD-MMHMDJKXSA-N 1 0 489.686 2.922 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001287321890 1062799147 /nfs/dbraw/zinc/79/91/47/1062799147.db2.gz LGAVDKONZXTUFQ-VQTJNVASSA-N 1 0 485.658 2.935 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001287321577 1062799278 /nfs/dbraw/zinc/79/92/78/1062799278.db2.gz JQVNKWFWGIYXKU-ZWKOTPCHSA-N 1 0 469.055 2.983 20 0 JFADRO Cc1noc(C)c1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001290925062 1062799843 /nfs/dbraw/zinc/79/98/43/1062799843.db2.gz CWNLZEYPMFXIIU-YWZLYKJASA-N 1 0 493.609 2.572 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287322340 1062800462 /nfs/dbraw/zinc/80/04/62/1062800462.db2.gz OZLMBDIPSAVSAI-RTBURBONSA-N 1 0 496.653 2.615 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287323961 1062801207 /nfs/dbraw/zinc/80/12/07/1062801207.db2.gz YFSZPFRLXQGLLG-KRWDZBQOSA-N 1 0 487.045 2.796 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC001287327682 1062801326 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1062808186 /nfs/dbraw/zinc/80/81/86/1062808186.db2.gz DJGCLVZEXQEQHZ-QFBILLFUSA-N 1 0 481.613 2.997 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001287331367 1062808707 /nfs/dbraw/zinc/80/87/07/1062808707.db2.gz GDCNRDUYQMDFND-FCEUIQTBSA-N 1 0 496.722 2.589 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)[NH+](C)C ZINC001287331362 1062808833 /nfs/dbraw/zinc/80/88/33/1062808833.db2.gz GDCNRDUYQMDFND-CEMLEFRQSA-N 1 0 496.722 2.589 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001287332934 1062809671 /nfs/dbraw/zinc/80/96/71/1062809671.db2.gz LGCJZXAYIZTEDK-UXHICEINSA-N 1 0 470.728 2.951 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(N2CCCC2=O)CC1)[NH+](C)C ZINC001287333693 1062810686 /nfs/dbraw/zinc/81/06/86/1062810686.db2.gz OHDYZYXQFIIODB-QFIPXVFZSA-N 1 0 453.635 2.831 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C2CC2)CC1)[NH+](C)C ZINC001287334163 1062811599 /nfs/dbraw/zinc/81/15/99/1062811599.db2.gz PXCHCUSHUNFHJU-QFIPXVFZSA-N 1 0 453.635 2.689 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295017051 1062812794 /nfs/dbraw/zinc/81/27/94/1062812794.db2.gz FGZDFPIXPFCPDN-LJQANCHMSA-N 1 0 490.674 2.736 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1)[NH+](C)C ZINC001287334972 1062812827 /nfs/dbraw/zinc/81/28/27/1062812827.db2.gz TZTPVLJBPSDOTO-FCHUYYIVSA-N 1 0 454.619 2.721 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295017050 1062812904 /nfs/dbraw/zinc/81/29/04/1062812904.db2.gz FGZDFPIXPFCPDN-IBGZPJMESA-N 1 0 490.674 2.736 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1)[NH+](C)C ZINC001287335729 1062814523 /nfs/dbraw/zinc/81/45/23/1062814523.db2.gz WPHCNMKAIUUZAC-FGZHOGPDSA-N 1 0 455.651 2.981 20 0 JFADRO CC(C)C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc2c(c1)OCO2)[NH+](C)C ZINC001287338733 1062816209 /nfs/dbraw/zinc/81/62/09/1062816209.db2.gz MXQALABZUUJEIL-LJQANCHMSA-N 1 0 456.591 2.742 20 0 JFADRO CC(C)C[C@@H](Cn1c(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)nnc1C(C)(C)C)[NH+](C)C ZINC001287339345 1062817069 /nfs/dbraw/zinc/81/70/69/1062817069.db2.gz UMNUXMWACZYOEB-OALUTQOASA-N 1 0 456.701 2.660 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001295018337 1062818406 /nfs/dbraw/zinc/81/84/06/1062818406.db2.gz WLJQFRHVWVVLAH-OAQYLSRUSA-N 1 0 491.706 2.846 20 0 JFADRO Cc1noc([C@@H]2CCCN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290945159 1062820122 /nfs/dbraw/zinc/82/01/22/1062820122.db2.gz FUEMUGYYTJBBOU-LJQANCHMSA-N 1 0 458.611 2.595 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001287345927 1062820661 /nfs/dbraw/zinc/82/06/61/1062820661.db2.gz CZCFBTZJCBIWPB-IBGZPJMESA-N 1 0 477.675 2.924 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287350392 1062822861 /nfs/dbraw/zinc/82/28/61/1062822861.db2.gz DDRGKLUHUYISBJ-QFIPXVFZSA-N 1 0 489.686 2.517 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC001295022387 1062825645 /nfs/dbraw/zinc/82/56/45/1062825645.db2.gz SLBIYRDWFYWIDL-QFIPXVFZSA-N 1 0 474.675 2.803 20 0 JFADRO CC(C)Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001287356031 1062826865 /nfs/dbraw/zinc/82/68/65/1062826865.db2.gz JVTGNGGSOBIGCF-YADHBBJMSA-N 1 0 459.660 2.665 20 0 JFADRO CC(C)Cc1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386405 1062837241 /nfs/dbraw/zinc/83/72/41/1062837241.db2.gz XQTXVTWRJPUNKT-GMAHTHKFSA-N 1 0 470.662 2.622 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(Cc4csc(C)n4)n3CC[N@@H+](C)C(C)C)CC2)on1 ZINC001290970066 1062844200 /nfs/dbraw/zinc/84/42/00/1062844200.db2.gz PEAVNAOSVRVLEC-UHFFFAOYSA-N 1 0 458.636 2.593 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CC2)on1 ZINC001290970982 1062846696 /nfs/dbraw/zinc/84/66/96/1062846696.db2.gz YKKSREZQQYQTTC-UHFFFAOYSA-N 1 0 473.666 2.721 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CC(N)=O)CC2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001287406405 1062848530 /nfs/dbraw/zinc/84/85/30/1062848530.db2.gz GHHGGMBKSWQIEP-UHFFFAOYSA-N 1 0 460.667 2.851 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001295047971 1062851111 /nfs/dbraw/zinc/85/11/11/1062851111.db2.gz BZMYGGYPZYEUDQ-NSHGMRRFSA-N 1 0 472.638 2.997 20 0 JFADRO CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287414428 1062853447 /nfs/dbraw/zinc/85/34/47/1062853447.db2.gz ZDZUEBVXQLZTJX-IBGZPJMESA-N 1 0 468.693 2.607 20 0 JFADRO CCN(C)C(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001295052605 1062855788 /nfs/dbraw/zinc/85/57/88/1062855788.db2.gz BUSURYUEVOMWMW-OALUTQOASA-N 1 0 455.607 2.544 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)C[NH+](C)C ZINC001290976305 1062856697 /nfs/dbraw/zinc/85/66/97/1062856697.db2.gz PXKMHYPFLCHWFF-HNNXBMFYSA-N 1 0 463.424 2.962 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Br)cc2)n1CC(C)(C)C[NH+](C)C ZINC001290976306 1062856738 /nfs/dbraw/zinc/85/67/38/1062856738.db2.gz PXKMHYPFLCHWFF-OAHLLOKOSA-N 1 0 463.424 2.962 20 0 JFADRO CC(C)Cc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001287418748 1062856778 /nfs/dbraw/zinc/85/67/78/1062856778.db2.gz VOASEXLLLKSAMH-RUZDIDTESA-N 1 0 458.651 2.972 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@](O)(c3ccc(F)cc3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287418456 1062856976 /nfs/dbraw/zinc/85/69/76/1062856976.db2.gz BSZODNGJWWPSEM-RUZDIDTESA-N 1 0 459.610 2.949 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C[NH+]1CCCC1 ZINC001290976561 1062857813 /nfs/dbraw/zinc/85/78/13/1062857813.db2.gz SGJNTVPQFXGVDZ-INIZCTEOSA-N 1 0 492.466 2.835 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC[NH+]1CCOCC1 ZINC001287419544 1062858962 /nfs/dbraw/zinc/85/89/62/1062858962.db2.gz CYBJDOOLLNKIOY-LJQANCHMSA-N 1 0 450.628 2.692 20 0 JFADRO CC(C)Cc1nnc(N2CC[C@@](O)(c3ccccc3F)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287420431 1062860467 /nfs/dbraw/zinc/86/04/67/1062860467.db2.gz QWGKLLFAHHOJOR-SANMLTNESA-N 1 0 472.653 2.987 20 0 JFADRO CC(C)Cc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001287427012 1062864847 /nfs/dbraw/zinc/86/48/47/1062864847.db2.gz CXZMOMHFIYGGNQ-UHFFFAOYSA-N 1 0 454.619 2.705 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287442144 1062875231 /nfs/dbraw/zinc/87/52/31/1062875231.db2.gz DEUYRFMMKOBVHC-XXBNENTESA-N 1 0 450.697 2.903 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CNC(=O)C(C)C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001287442141 1062875275 /nfs/dbraw/zinc/87/52/75/1062875275.db2.gz DEUYRFMMKOBVHC-AUSIDOKSSA-N 1 0 450.697 2.903 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287445494 1062879873 /nfs/dbraw/zinc/87/98/73/1062879873.db2.gz AUIPWUIEDIDNCS-NHCUHLMSSA-N 1 0 489.709 2.550 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001295065361 1062882027 /nfs/dbraw/zinc/88/20/27/1062882027.db2.gz MVMYERRCTBYGBJ-UHFFFAOYSA-N 1 0 472.634 2.999 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001290990531 1062883824 /nfs/dbraw/zinc/88/38/24/1062883824.db2.gz UKORDDQEFBFVEV-QRVBRYPASA-N 1 0 455.607 2.907 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001287448857 1062885590 /nfs/dbraw/zinc/88/55/90/1062885590.db2.gz XSUMVCNQZGXTGH-YADHBBJMSA-N 1 0 492.665 2.923 20 0 JFADRO CC(C)NC(=O)CN(C)c1nnc(Cc2ccncc2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001290996245 1062887859 /nfs/dbraw/zinc/88/78/59/1062887859.db2.gz CFRNYXZHZXDNOK-PMACEKPBSA-N 1 0 455.651 2.981 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290996050 1062887978 /nfs/dbraw/zinc/88/79/78/1062887978.db2.gz AYUCZYISHOCEGG-CEXWTWQISA-N 1 0 477.679 2.676 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001295069203 1062889149 /nfs/dbraw/zinc/88/91/49/1062889149.db2.gz CDLAETUPOXBMLO-UHFFFAOYSA-N 1 0 480.617 2.629 20 0 JFADRO CC(C)Cc1nnc(N2CCCN(C(=O)C3CC3)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001287455803 1062891994 /nfs/dbraw/zinc/89/19/94/1062891994.db2.gz FATTUEVKGHZPLF-UHFFFAOYSA-N 1 0 468.646 2.914 20 0 JFADRO CC(C)Cc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001287456256 1062892864 /nfs/dbraw/zinc/89/28/64/1062892864.db2.gz BRVQULCAOKNWFF-UHFFFAOYSA-N 1 0 474.654 2.789 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001287456655 1062893504 /nfs/dbraw/zinc/89/35/04/1062893504.db2.gz HMRUDOHJMDYCKW-FLASPHMUSA-N 1 0 473.687 2.952 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001291005773 1062900246 /nfs/dbraw/zinc/90/02/46/1062900246.db2.gz BJCHJMQWTQKDSL-NJYVYQBISA-N 1 0 484.711 2.602 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001295074811 1062900997 /nfs/dbraw/zinc/90/09/97/1062900997.db2.gz LHWPJEHGAQHJHT-UHFFFAOYSA-N 1 0 465.577 2.594 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295074916 1062901676 /nfs/dbraw/zinc/90/16/76/1062901676.db2.gz NGHAUICYRBBGTQ-HSZRJFAPSA-N 1 0 461.614 2.701 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291010362 1062908540 /nfs/dbraw/zinc/90/85/40/1062908540.db2.gz SOFUICWMALCTPF-NHCUHLMSSA-N 1 0 476.666 2.560 20 0 JFADRO CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291010592 1062909033 /nfs/dbraw/zinc/90/90/33/1062909033.db2.gz XNPBUJSYECEFLQ-RTBURBONSA-N 1 0 463.671 2.525 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001291010845 1062910161 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CCN(C)C(=O)Cn1c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295085482 1062922296 /nfs/dbraw/zinc/92/22/96/1062922296.db2.gz XTFKSICWQAQDAH-NVQXNPDNSA-N 1 0 484.645 2.508 20 0 JFADRO CCN(C)C(=O)Cn1c(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295085486 1062922637 /nfs/dbraw/zinc/92/26/37/1062922637.db2.gz XVCDXMSTSGSRPY-BKMJKUGQSA-N 1 0 484.645 2.508 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001291014134 1062922521 /nfs/dbraw/zinc/92/25/21/1062922521.db2.gz XWPRFDMQRZXYJH-JFIYKMOQSA-N 1 0 455.529 2.814 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(CCOc3ccccc3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001291014772 1062923818 /nfs/dbraw/zinc/92/38/18/1062923818.db2.gz HYRQSMYRTWTWQS-NHCUHLMSSA-N 1 0 468.646 2.969 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001291014893 1062924300 /nfs/dbraw/zinc/92/43/00/1062924300.db2.gz JUKWRQVNCXVRCE-FGZHOGPDSA-N 1 0 499.679 2.586 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291015164 1062925036 /nfs/dbraw/zinc/92/50/36/1062925036.db2.gz NDSNKSMISZUPFB-AQNXPRMDSA-N 1 0 493.649 2.988 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(COc3ccccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001291015167 1062925331 /nfs/dbraw/zinc/92/53/31/1062925331.db2.gz NDSNKSMISZUPFB-ZCNNSNEGSA-N 1 0 493.649 2.988 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001287475426 1062925275 /nfs/dbraw/zinc/92/52/75/1062925275.db2.gz TVXPXTCPKUGTAO-LJQANCHMSA-N 1 0 454.619 2.700 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1cccc(OCC(N)=O)c1 ZINC001287475424 1062925335 /nfs/dbraw/zinc/92/53/35/1062925335.db2.gz TVXPXTCPKUGTAO-IBGZPJMESA-N 1 0 454.619 2.700 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001287475924 1062925796 /nfs/dbraw/zinc/92/57/96/1062925796.db2.gz BTJJQFLWWUQCCK-UHFFFAOYSA-N 1 0 469.634 2.919 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001287475979 1062926459 /nfs/dbraw/zinc/92/64/59/1062926459.db2.gz DTCQRUFHDJBDOG-IBGZPJMESA-N 1 0 464.655 2.938 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001291015705 1062926631 /nfs/dbraw/zinc/92/66/31/1062926631.db2.gz VGXYAOYQISZPOH-QWFCFKBJSA-N 1 0 465.689 2.922 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287476477 1062930017 /nfs/dbraw/zinc/93/00/17/1062930017.db2.gz JEENLEUYNBCEJO-OYRHEFFESA-N 1 0 473.710 2.634 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCN1CCOCC1(C)C ZINC001287476521 1062930515 /nfs/dbraw/zinc/93/05/15/1062930515.db2.gz LOXSCCLXRBDALR-UHFFFAOYSA-N 1 0 475.726 2.582 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CC(=O)NCC(F)(F)F ZINC001287481339 1062936062 /nfs/dbraw/zinc/93/60/62/1062936062.db2.gz IDSDNEKFFZSDEL-QGZVFWFLSA-N 1 0 452.525 2.866 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(C)C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 ZINC001295126336 1062940915 /nfs/dbraw/zinc/94/09/15/1062940915.db2.gz FJOIWSROMKXVDE-NRFANRHFSA-N 1 0 462.664 2.667 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001291022729 1062941997 /nfs/dbraw/zinc/94/19/97/1062941997.db2.gz KXAOQIMLTGVQSM-IYWMVGAKSA-N 1 0 482.695 2.547 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC001295127140 1062945092 /nfs/dbraw/zinc/94/50/92/1062945092.db2.gz MEPACZAENWXPJS-BBTUJRGHSA-N 1 0 463.648 2.540 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](COC)C2)c1 ZINC001295127791 1062947200 /nfs/dbraw/zinc/94/72/00/1062947200.db2.gz UQMHAAKKNXFRQJ-HSZRJFAPSA-N 1 0 450.587 2.616 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC001295128043 1062948245 /nfs/dbraw/zinc/94/82/45/1062948245.db2.gz ZVTIECQJRCKVHC-SANMLTNESA-N 1 0 484.645 2.691 20 0 JFADRO CCN(c1nnc(Cc2ccncc2)n1Cc1cccc(C[N@H+](C)CC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001295128115 1062948723 /nfs/dbraw/zinc/94/87/23/1062948723.db2.gz WZBFWJPGXSMSFA-QHCPKHFHSA-N 1 0 482.654 2.777 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(CNC(C)=O)CC2)c1 ZINC001295131986 1062949204 /nfs/dbraw/zinc/94/92/04/1062949204.db2.gz KKGZVYMHMFZOAR-HSZRJFAPSA-N 1 0 454.619 2.982 20 0 JFADRO CC(C)C[C@@H]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(=O)N(C)C)C1 ZINC001287524354 1062960765 /nfs/dbraw/zinc/96/07/65/1062960765.db2.gz VRIGRXXNYZJDFK-QHCPKHFHSA-N 1 0 481.689 2.994 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001291043356 1062972434 /nfs/dbraw/zinc/97/24/34/1062972434.db2.gz BPZBWNXWHSWZAO-KZNAEPCWSA-N 1 0 466.627 2.784 20 0 JFADRO C[C@@H]1CC[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001291048476 1062977934 /nfs/dbraw/zinc/97/79/34/1062977934.db2.gz RUXXDKCXUDGTQT-KIZRIRGWSA-N 1 0 490.674 2.539 20 0 JFADRO CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001287545991 1062979010 /nfs/dbraw/zinc/97/90/10/1062979010.db2.gz FFQTVRLKDACVGV-RUZDIDTESA-N 1 0 456.635 2.752 20 0 JFADRO CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001291051105 1062980199 /nfs/dbraw/zinc/98/01/99/1062980199.db2.gz ACSRBTWCMNUPMZ-XOEOCAAJSA-N 1 0 462.683 2.574 20 0 JFADRO CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](CC(C)C)[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001295157329 1062980689 /nfs/dbraw/zinc/98/06/89/1062980689.db2.gz ZNUCRPNYJAJMSO-UXHICEINSA-N 1 0 463.648 2.943 20 0 JFADRO CCN(c1nnc(-c2cccc(Cl)c2)n1CCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CCS(=O)(=O)C1 ZINC001295157732 1062981267 /nfs/dbraw/zinc/98/12/67/1062981267.db2.gz IPVPBTQWSJDQPZ-LEWJYISDSA-N 1 0 496.077 2.849 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CC1 ZINC001291052018 1062982850 /nfs/dbraw/zinc/98/28/50/1062982850.db2.gz NCFSAQXWPOSRLP-AQNXPRMDSA-N 1 0 470.609 2.796 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CC1 ZINC001291052019 1062983334 /nfs/dbraw/zinc/98/33/34/1062983334.db2.gz NCFSAQXWPOSRLP-HSALFYBXSA-N 1 0 470.609 2.796 20 0 JFADRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 ZINC001291052576 1062984461 /nfs/dbraw/zinc/98/44/61/1062984461.db2.gz VPIBSFSSTOVNSA-OYRHEFFESA-N 1 0 482.739 2.785 20 0 JFADRO CC(C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001287566763 1062988150 /nfs/dbraw/zinc/98/81/50/1062988150.db2.gz NKHWMMSCMSPWCM-NRFANRHFSA-N 1 0 480.723 2.611 20 0 JFADRO CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)C[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001295170466 1062994070 /nfs/dbraw/zinc/99/40/70/1062994070.db2.gz KXPJBBDJEUAFNS-QUCCMNQESA-N 1 0 461.632 2.699 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001291060747 1062995592 /nfs/dbraw/zinc/99/55/92/1062995592.db2.gz NZTPVRHZWCBNEO-JRRMTSHWSA-N 1 0 496.722 2.746 20 0 JFADRO CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCC(C)CC4)CC3)n2CCCC(=O)N(C)C)CCOC1 ZINC001291061367 1062996789 /nfs/dbraw/zinc/99/67/89/1062996789.db2.gz IWARQEHBSCWOPW-AJEPASEPSA-N 1 0 490.693 2.888 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1Cc1ncnn1C(C)(C)C ZINC001291061491 1062997605 /nfs/dbraw/zinc/99/76/05/1062997605.db2.gz MTZHXDFVRSUPTR-UHFFFAOYSA-N 1 0 471.654 2.512 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001291062108 1062999076 /nfs/dbraw/zinc/99/90/76/1062999076.db2.gz KWYXMFLBMLEQFX-KBWCOIMZSA-N 1 0 459.683 2.701 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001287627493 1063008277 /nfs/dbraw/zinc/00/82/77/1063008277.db2.gz AREYEWUTVPRFNZ-AREMUKBSSA-N 1 0 490.693 2.949 20 0 JFADRO CC(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001287627781 1063008860 /nfs/dbraw/zinc/00/88/60/1063008860.db2.gz KXMAOKVRDPHGNL-QHAWAJNXSA-N 1 0 460.667 2.986 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(-c3cccn3C)nnc2N(C)[C@H](C)CS(C)(=O)=O)CC1 ZINC001287629473 1063009943 /nfs/dbraw/zinc/00/99/43/1063009943.db2.gz LQLWZZAROOJSGQ-LJQANCHMSA-N 1 0 464.680 2.911 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001287629412 1063009965 /nfs/dbraw/zinc/00/99/65/1063009965.db2.gz JXADJJOUVOQDHD-VXKWHMMOSA-N 1 0 481.707 2.944 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001287629782 1063010488 /nfs/dbraw/zinc/01/04/88/1063010488.db2.gz FYXQZAZYDOGYPP-UHFFFAOYSA-N 1 0 481.636 2.546 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001287629487 1063010512 /nfs/dbraw/zinc/01/05/12/1063010512.db2.gz MBACPZBDFYRVLT-HXUWFJFHSA-N 1 0 455.669 2.759 20 0 JFADRO CC(C)CC[NH+]1CCC(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)CC1 ZINC001287630710 1063011233 /nfs/dbraw/zinc/01/12/33/1063011233.db2.gz VTHATAOFFGYLDO-NRFANRHFSA-N 1 0 496.722 2.748 20 0 JFADRO 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20 0 JFADRO CC(C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC001287665466 1063031112 /nfs/dbraw/zinc/03/11/12/1063031112.db2.gz RBVNRBTYOYPEQO-FQEVSTJZSA-N 1 0 467.680 2.698 20 0 JFADRO C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001291078419 1063031835 /nfs/dbraw/zinc/03/18/35/1063031835.db2.gz PDWDRUKPCRGOMA-UWJYYQICSA-N 1 0 470.540 2.915 20 0 JFADRO CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@H+](C)C(C)C)C1CCCCC1 ZINC001295217053 1063033128 /nfs/dbraw/zinc/03/31/28/1063033128.db2.gz LQGYXAKNOJOAAF-HXUWFJFHSA-N 1 0 470.684 2.500 20 0 JFADRO CC(C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC[NH+](Cc2cccs2)CC1 ZINC001287673096 1063035166 /nfs/dbraw/zinc/03/51/66/1063035166.db2.gz PPOZUDRBCKTPBW-KRWDZBQOSA-N 1 0 468.693 2.954 20 0 JFADRO CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCCCC1)[C@@H](C)C1CCC1 ZINC001295218925 1063036452 /nfs/dbraw/zinc/03/64/52/1063036452.db2.gz QDDTUIBNFAVSGB-FPOVZHCZSA-N 1 0 496.722 2.890 20 0 JFADRO 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C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC[C@@H](C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001291090259 1063049532 /nfs/dbraw/zinc/04/95/32/1063049532.db2.gz SMAGJTYQYPSWQI-UWVAXJGDSA-N 1 0 466.627 2.957 20 0 JFADRO CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001295228294 1063050285 /nfs/dbraw/zinc/05/02/85/1063050285.db2.gz OVNXLDCREWMBTK-FGZHOGPDSA-N 1 0 474.675 2.645 20 0 JFADRO C[C@@H]1CCCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCCCC2)C1 ZINC001291093367 1063051087 /nfs/dbraw/zinc/05/10/87/1063051087.db2.gz XQXTWRCYCGJZCH-WOJBJXKFSA-N 1 0 482.695 2.502 20 0 JFADRO CC(C)Cn1c(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001287731291 1063053696 /nfs/dbraw/zinc/05/36/96/1063053696.db2.gz FOBPIFKGFUBWCY-VWLOTQADSA-N 1 0 462.683 2.970 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 ZINC001291095506 1063054689 /nfs/dbraw/zinc/05/46/89/1063054689.db2.gz MUDSTHANYCKFGE-VQTJNVASSA-N 1 0 470.666 2.932 20 0 JFADRO C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001291095742 1063055288 /nfs/dbraw/zinc/05/52/88/1063055288.db2.gz RGAKFVMYXVQRPE-IFMALSPDSA-N 1 0 473.710 2.730 20 0 JFADRO C[C@@H]1CCCCN1C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001291095743 1063055336 /nfs/dbraw/zinc/05/53/36/1063055336.db2.gz RGAKFVMYXVQRPE-IRLDBZIGSA-N 1 0 473.710 2.730 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 ZINC001291096233 1063056868 /nfs/dbraw/zinc/05/68/68/1063056868.db2.gz ABIYNFGGPILKLM-YPAWHYETSA-N 1 0 497.706 2.672 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)C1 ZINC001291096232 1063056911 /nfs/dbraw/zinc/05/69/11/1063056911.db2.gz ABIYNFGGPILKLM-VSKRKVRLSA-N 1 0 497.706 2.672 20 0 JFADRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCNS(C)(=O)=O)C1 ZINC001291096320 1063057041 /nfs/dbraw/zinc/05/70/41/1063057041.db2.gz BWRYXODSLGELMC-PMACEKPBSA-N 1 0 468.712 2.897 20 0 JFADRO CC(C)CN1C[C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCC[N@H+](C)C(C)C)CCN2C1=O ZINC001287733767 1063057217 /nfs/dbraw/zinc/05/72/17/1063057217.db2.gz QJGAXTMPLLQJEK-LEWJYISDSA-N 1 0 461.655 2.832 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001291096865 1063059043 /nfs/dbraw/zinc/05/90/43/1063059043.db2.gz LVAAEUGSGMUBHN-QHAWAJNXSA-N 1 0 467.680 2.698 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)C1 ZINC001287736522 1063059821 /nfs/dbraw/zinc/05/98/21/1063059821.db2.gz ATYJWHNCRUKKIL-NMLBUPMWSA-N 1 0 452.669 2.635 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001291097261 1063059697 /nfs/dbraw/zinc/05/96/97/1063059697.db2.gz RYMKTOSLSWFSRG-SFHVURJKSA-N 1 0 496.081 2.730 20 0 JFADRO C[C@H]1CCCC[N@@H+]1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001291097046 1063059793 /nfs/dbraw/zinc/05/97/93/1063059793.db2.gz PBJYNJPTPURHIJ-VQTJNVASSA-N 1 0 488.681 2.514 20 0 JFADRO 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C[C@@H]1CCCC[N@@H+]1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291099353 1063065522 /nfs/dbraw/zinc/06/55/22/1063065522.db2.gz FNJCEFMSDCRSFF-QGZVFWFLSA-N 1 0 473.622 2.621 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccc(F)cc2)CC1 ZINC001287740672 1063066359 /nfs/dbraw/zinc/06/63/59/1063066359.db2.gz IQEQTJDXHSROPP-UHFFFAOYSA-N 1 0 458.582 2.900 20 0 JFADRO CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1=O ZINC001287741650 1063068228 /nfs/dbraw/zinc/06/82/28/1063068228.db2.gz NFTDLOIEVGLZBK-VQTJNVASSA-N 1 0 485.633 2.540 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001291100754 1063069317 /nfs/dbraw/zinc/06/93/17/1063069317.db2.gz HJAHELPACPHHRW-MOPGFXCFSA-N 1 0 454.685 2.606 20 0 JFADRO C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)[NH+](C)C ZINC001291100954 1063070278 /nfs/dbraw/zinc/07/02/78/1063070278.db2.gz KQHTXJFSTAUQMB-VQTJNVASSA-N 1 0 453.635 2.689 20 0 JFADRO 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1063220121 /nfs/dbraw/zinc/22/01/21/1063220121.db2.gz LCKFETWRKVAKFT-MSOLQXFVSA-N 1 0 468.572 2.872 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncnn1CC(F)F)[NH+]1CCC(C)CC1 ZINC001291142999 1063220716 /nfs/dbraw/zinc/22/07/16/1063220716.db2.gz PCAOCNHLHWSCDU-QZTJIDSGSA-N 1 0 466.581 2.786 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291143085 1063221145 /nfs/dbraw/zinc/22/11/45/1063221145.db2.gz QJHMBCPIWPNVQV-WCXIOVBPSA-N 1 0 458.529 2.506 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295327127 1063221271 /nfs/dbraw/zinc/22/12/71/1063221271.db2.gz OKBIMFOTLJBZLG-HSZRJFAPSA-N 1 0 496.704 2.841 20 0 JFADRO C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143093 1063221236 /nfs/dbraw/zinc/22/12/36/1063221236.db2.gz QNFWOPSYIDKFSU-UXHICEINSA-N 1 0 492.665 2.970 20 0 JFADRO C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291143094 1063221277 /nfs/dbraw/zinc/22/12/77/1063221277.db2.gz QNFWOPSYIDKFSU-VQTJNVASSA-N 1 0 492.665 2.970 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291143100 1063221780 /nfs/dbraw/zinc/22/17/80/1063221780.db2.gz QOXUSZQJEUDEFJ-AABGKKOBSA-N 1 0 489.665 2.701 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCC(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291143671 1063222864 /nfs/dbraw/zinc/22/28/64/1063222864.db2.gz AIWRRHMZVSULJK-FGZHOGPDSA-N 1 0 494.750 2.859 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295327539 1063224009 /nfs/dbraw/zinc/22/40/09/1063224009.db2.gz WPKZABPUHAHZSA-QFIPXVFZSA-N 1 0 467.662 2.810 20 0 JFADRO C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291144038 1063224306 /nfs/dbraw/zinc/22/43/06/1063224306.db2.gz IAIJZJXAOGNLRB-RBUKOAKNSA-N 1 0 458.573 2.977 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144305 1063225070 /nfs/dbraw/zinc/22/50/70/1063225070.db2.gz MNXCCKIQJDRPTB-NCXUSEDFSA-N 1 0 455.694 2.631 20 0 JFADRO C[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)[NH+]1CCC(C)CC1 ZINC001291144476 1063225489 /nfs/dbraw/zinc/22/54/89/1063225489.db2.gz OWUZJTZBOSZYBK-KRWDZBQOSA-N 1 0 451.587 2.836 20 0 JFADRO C[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1)[NH+]1CCC(C)CC1 ZINC001291144477 1063225533 /nfs/dbraw/zinc/22/55/33/1063225533.db2.gz OWUZJTZBOSZYBK-QGZVFWFLSA-N 1 0 451.587 2.836 20 0 JFADRO C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291144439 1063225589 /nfs/dbraw/zinc/22/55/89/1063225589.db2.gz OHATWTPOPRDUPQ-QFIPXVFZSA-N 1 0 488.702 2.655 20 0 JFADRO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291144901 1063227373 /nfs/dbraw/zinc/22/73/73/1063227373.db2.gz WXLCATMQCKKNMC-WOJBJXKFSA-N 1 0 489.665 2.624 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295330568 1063231114 /nfs/dbraw/zinc/23/11/14/1063231114.db2.gz ZNVGWQJAGFWODX-NRFANRHFSA-N 1 0 461.699 2.831 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295333790 1063232030 /nfs/dbraw/zinc/23/20/30/1063232030.db2.gz AEJZHCCFLZGVKU-UHFFFAOYSA-N 1 0 496.704 2.520 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001291147042 1063232182 /nfs/dbraw/zinc/23/21/82/1063232182.db2.gz PRTQGNPXQZAVQO-GHTZIAJQSA-N 1 0 475.037 2.945 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295333824 1063233254 /nfs/dbraw/zinc/23/32/54/1063233254.db2.gz BFHIGAPBFACHSN-QFIPXVFZSA-N 1 0 461.699 2.732 20 0 JFADRO C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291159389 1063245430 /nfs/dbraw/zinc/24/54/30/1063245430.db2.gz NQXJENSRRWVLJO-QGZVFWFLSA-N 1 0 488.518 2.514 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295335121 1063249690 /nfs/dbraw/zinc/24/96/90/1063249690.db2.gz ZNFPBQQWCZNVSU-UHFFFAOYSA-N 1 0 496.704 2.519 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001295335350 1063251586 /nfs/dbraw/zinc/25/15/86/1063251586.db2.gz URYQOIAFMCEVGO-OAQYLSRUSA-N 1 0 461.699 2.686 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001295335418 1063251975 /nfs/dbraw/zinc/25/19/75/1063251975.db2.gz XGTNLIDOFBJGFE-QFIPXVFZSA-N 1 0 461.699 2.902 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCC[NH+]2CCCCC2)C[C@H]1C ZINC001291167426 1063256124 /nfs/dbraw/zinc/25/61/24/1063256124.db2.gz PKJJWBOVQHOQAY-VSKRKVRLSA-N 1 0 496.722 2.750 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001291167918 1063257719 /nfs/dbraw/zinc/25/77/19/1063257719.db2.gz WTUCRDWCRGWRIU-NJYVYQBISA-N 1 0 492.665 2.670 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001295336808 1063260263 /nfs/dbraw/zinc/26/02/63/1063260263.db2.gz WMRGYFIHXTZPDK-QHCPKHFHSA-N 1 0 498.720 2.642 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338041 1063264707 /nfs/dbraw/zinc/26/47/07/1063264707.db2.gz GUJDRBNVMGKBEN-NYHFZMIOSA-N 1 0 452.958 2.730 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC001295338043 1063264830 /nfs/dbraw/zinc/26/48/30/1063264830.db2.gz GUJDRBNVMGKBEN-OYHNWAKOSA-N 1 0 452.958 2.730 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295338403 1063266229 /nfs/dbraw/zinc/26/62/29/1063266229.db2.gz ODSLUOKUVQEDLT-FGZHOGPDSA-N 1 0 475.726 2.978 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295339593 1063267622 /nfs/dbraw/zinc/26/76/22/1063267622.db2.gz TYHMOBGYRPWUTC-UHFFFAOYSA-N 1 0 459.683 2.801 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CC3)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001295340107 1063268262 /nfs/dbraw/zinc/26/82/62/1063268262.db2.gz WTIDDMLPDNUAET-QHCPKHFHSA-N 1 0 467.662 2.757 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc([C@@H]4CCCCO4)n3CCCS(C)(=O)=O)C2)CC1 ZINC001291180014 1063270190 /nfs/dbraw/zinc/27/01/90/1063270190.db2.gz RMMVBQQBPUMHAI-RTWAWAEBSA-N 1 0 467.680 2.903 20 0 JFADRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC001295342636 1063270389 /nfs/dbraw/zinc/27/03/89/1063270389.db2.gz QESCPXZAACDSBS-JPYJTQIMSA-N 1 0 452.603 2.754 20 0 JFADRO CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180252 1063271836 /nfs/dbraw/zinc/27/18/36/1063271836.db2.gz XSNYDDBOPWBYCL-FQEVSTJZSA-N 1 0 459.639 2.680 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@H]2C)CC1 ZINC001291180392 1063272335 /nfs/dbraw/zinc/27/23/35/1063272335.db2.gz ASANVKKTVRLENW-MOPGFXCFSA-N 1 0 455.694 2.634 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001291180461 1063272370 /nfs/dbraw/zinc/27/23/70/1063272370.db2.gz CHUPGVMWALRDLX-HXUWFJFHSA-N 1 0 462.639 2.577 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001295343790 1063273572 /nfs/dbraw/zinc/27/35/72/1063273572.db2.gz OQKNSKOCKNPPGR-HXUWFJFHSA-N 1 0 463.671 2.660 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295343771 1063275159 /nfs/dbraw/zinc/27/51/59/1063275159.db2.gz IZVAXELULOSMBR-UHFFFAOYSA-N 1 0 461.699 2.732 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181599 1063275787 /nfs/dbraw/zinc/27/57/87/1063275787.db2.gz NJBQKRAPZVJYMP-FQEVSTJZSA-N 1 0 456.639 2.656 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001291182168 1063277341 /nfs/dbraw/zinc/27/73/41/1063277341.db2.gz FVZORMJHDBXFKL-HXUWFJFHSA-N 1 0 492.665 2.972 20 0 JFADRO CC1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC001291182866 1063278459 /nfs/dbraw/zinc/27/84/59/1063278459.db2.gz ZKGBTJNATDIDSH-IBGZPJMESA-N 1 0 471.654 2.521 20 0 JFADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291183982 1063281518 /nfs/dbraw/zinc/28/15/18/1063281518.db2.gz LIOVZIRDXXKVIP-MOPGFXCFSA-N 1 0 458.582 2.956 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291184008 1063282023 /nfs/dbraw/zinc/28/20/23/1063282023.db2.gz MHUKXQRCXBNWNH-MOPGFXCFSA-N 1 0 460.648 2.744 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@H]32)n1CC[NH+]1CCC(C)CC1 ZINC001291184038 1063282086 /nfs/dbraw/zinc/28/20/86/1063282086.db2.gz MSJJQOQHHUTKIH-SLFFLAALSA-N 1 0 452.669 2.779 20 0 JFADRO CC1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001291184013 1063282134 /nfs/dbraw/zinc/28/21/34/1063282134.db2.gz MJPZNQGLKXEEMS-LJQANCHMSA-N 1 0 478.638 2.582 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001291184284 1063282888 /nfs/dbraw/zinc/28/28/88/1063282888.db2.gz UVLOQHJBNRFAMD-UHFFFAOYSA-N 1 0 497.669 2.959 20 0 JFADRO CC1CC[NH+](CCn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001291184957 1063284663 /nfs/dbraw/zinc/28/46/63/1063284663.db2.gz PSSUTKUGZSWRJI-UHFFFAOYSA-N 1 0 454.040 2.735 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001291184808 1063284765 /nfs/dbraw/zinc/28/47/65/1063284765.db2.gz LBMSYKMWWJKSRU-OAQYLSRUSA-N 1 0 494.706 2.526 20 0 JFADRO CC1CC[NH+](CCn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCCCCO)CC1 ZINC001291185284 1063285232 /nfs/dbraw/zinc/28/52/32/1063285232.db2.gz YXWNAUOMUSIJMO-UHFFFAOYSA-N 1 0 453.591 2.925 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295345796 1063285661 /nfs/dbraw/zinc/28/56/61/1063285661.db2.gz LUBAZBWENZRDHB-IBGZPJMESA-N 1 0 454.579 2.753 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CC[N@H+](C)CCOC)CC1 ZINC001295346318 1063286749 /nfs/dbraw/zinc/28/67/49/1063286749.db2.gz UUSMUSSAZJJVCB-UHFFFAOYSA-N 1 0 478.041 2.761 20 0 JFADRO CC(C)O[C@]1(c2nnc(N(C)CCN3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185948 1063287540 /nfs/dbraw/zinc/28/75/40/1063287540.db2.gz VFEYEWVOSVTMGR-AREMUKBSSA-N 1 0 492.709 2.598 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C[C@@H](C)O1 ZINC001291186694 1063291769 /nfs/dbraw/zinc/29/17/69/1063291769.db2.gz IZLRQTJIOWWVFU-IAGOWNOFSA-N 1 0 491.591 2.664 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCNC(=O)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291187355 1063295573 /nfs/dbraw/zinc/29/55/73/1063295573.db2.gz SVACXBWNHSOFHH-QRVBRYPASA-N 1 0 488.608 2.771 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291187627 1063296951 /nfs/dbraw/zinc/29/69/51/1063296951.db2.gz WWVXPCKYISIOHW-BHIFYINESA-N 1 0 490.693 2.755 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295351254 1063297701 /nfs/dbraw/zinc/29/77/01/1063297701.db2.gz OSYMOIUAYQAPKE-TZIWHRDSSA-N 1 0 473.622 2.999 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001291187961 1063299073 /nfs/dbraw/zinc/29/90/73/1063299073.db2.gz BRPMQZORZJEEKP-ROUUACIJSA-N 1 0 472.609 2.598 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001291188104 1063300333 /nfs/dbraw/zinc/30/03/33/1063300333.db2.gz FNIJQIATYOFRKH-SFTDATJTSA-N 1 0 476.710 2.913 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CCN2CCOCC2)C[C@@H](C)O1 ZINC001291188146 1063300587 /nfs/dbraw/zinc/30/05/87/1063300587.db2.gz GDPHRWQSBOFUDS-NHCUHLMSSA-N 1 0 488.652 2.664 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CCN2CCOCC2)C[C@H](C)O1 ZINC001291188147 1063300891 /nfs/dbraw/zinc/30/08/91/1063300891.db2.gz GDPHRWQSBOFUDS-OYRHEFFESA-N 1 0 488.652 2.664 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001295353242 1063303243 /nfs/dbraw/zinc/30/32/43/1063303243.db2.gz QVHJKNBERAOXOU-RTWAWAEBSA-N 1 0 456.591 2.542 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(COc3ccccc3F)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001291188513 1063303952 /nfs/dbraw/zinc/30/39/52/1063303952.db2.gz LKDXGPJEBDAIJE-OTWHNJEPSA-N 1 0 488.608 2.586 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCSCC2)CC1 ZINC001295353534 1063304327 /nfs/dbraw/zinc/30/43/27/1063304327.db2.gz FVTRQWUOINPHHY-UHFFFAOYSA-N 1 0 463.696 2.643 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001295353974 1063305721 /nfs/dbraw/zinc/30/57/21/1063305721.db2.gz DKNRIPYGYGQNLF-SFTDATJTSA-N 1 0 477.698 2.950 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001295354383 1063306617 /nfs/dbraw/zinc/30/66/17/1063306617.db2.gz MURDQQVBLPXINF-QFIPXVFZSA-N 1 0 470.666 2.824 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291189053 1063307658 /nfs/dbraw/zinc/30/76/58/1063307658.db2.gz VCJJDWAOKZZZPA-SVFBPWRDSA-N 1 0 486.636 2.988 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295354530 1063307968 /nfs/dbraw/zinc/30/79/68/1063307968.db2.gz PFUZTRQXQSELJH-HSZRJFAPSA-N 1 0 482.677 2.968 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1 ZINC001291189574 1063311361 /nfs/dbraw/zinc/31/13/61/1063311361.db2.gz DLOVFYJEUTUHTD-OAHLLOKOSA-N 1 0 478.439 2.587 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295356177 1063311487 /nfs/dbraw/zinc/31/14/87/1063311487.db2.gz RMMDICQZDWRREH-HSZRJFAPSA-N 1 0 482.677 2.968 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001295357566 1063313048 /nfs/dbraw/zinc/31/30/48/1063313048.db2.gz AHVWPEQRYHDBMN-NRFANRHFSA-N 1 0 487.693 2.863 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001295357779 1063313625 /nfs/dbraw/zinc/31/36/25/1063313625.db2.gz BOZBRNWAHWFJPO-OALUTQOASA-N 1 0 477.654 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001295357989 1063313907 /nfs/dbraw/zinc/31/39/07/1063313907.db2.gz FFZVKPSULCKONM-MOPGFXCFSA-N 1 0 455.607 2.787 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001295358070 1063314492 /nfs/dbraw/zinc/31/44/92/1063314492.db2.gz GMKPYUIBYGAUFG-AWEZNQCLSA-N 1 0 458.533 2.535 20 0 JFADRO CC(C)[NH+](CCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@H]1C)C(C)C ZINC001291192073 1063318525 /nfs/dbraw/zinc/31/85/25/1063318525.db2.gz DNLQTYVXSVDQSH-DENIHFKCSA-N 1 0 470.618 2.966 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001295359121 1063318990 /nfs/dbraw/zinc/31/89/90/1063318990.db2.gz VWQYKBSJLSATNJ-INIZCTEOSA-N 1 0 451.019 2.838 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC001295359251 1063319007 /nfs/dbraw/zinc/31/90/07/1063319007.db2.gz WGHBOVGKAWJIIE-QGZVFWFLSA-N 1 0 463.577 2.751 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295361230 1063322670 /nfs/dbraw/zinc/32/26/70/1063322670.db2.gz JDFFKRSSWQEARG-WBVHZDCISA-N 1 0 450.534 2.979 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001291193893 1063324300 /nfs/dbraw/zinc/32/43/00/1063324300.db2.gz LABYJOMSLQRANE-GOSISDBHSA-N 1 0 458.582 2.928 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295363410 1063324357 /nfs/dbraw/zinc/32/43/57/1063324357.db2.gz VXDABHIQIRINHG-YOEHRIQHSA-N 1 0 493.454 2.806 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001295363573 1063325005 /nfs/dbraw/zinc/32/50/05/1063325005.db2.gz CDSOSWDOMYEBTE-LJQANCHMSA-N 1 0 452.607 2.744 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCNC(=O)CC1 ZINC001295364135 1063325928 /nfs/dbraw/zinc/32/59/28/1063325928.db2.gz CNEIVYHZHQRCTG-OAHLLOKOSA-N 1 0 479.423 2.773 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001295365076 1063327188 /nfs/dbraw/zinc/32/71/88/1063327188.db2.gz HXFBNOKTEZOJQK-UYAOXDASSA-N 1 0 485.633 2.685 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295365548 1063328154 /nfs/dbraw/zinc/32/81/54/1063328154.db2.gz JPHLCJUFCOHLTA-WMZOPIPTSA-N 1 0 476.025 2.893 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295365634 1063328767 /nfs/dbraw/zinc/32/87/67/1063328767.db2.gz IAGXLJJKCAQQIN-KDOFPFPSSA-N 1 0 469.417 2.933 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](COC)C1 ZINC001295366290 1063330407 /nfs/dbraw/zinc/33/04/07/1063330407.db2.gz RWMPOJFRRYRQMR-UXHICEINSA-N 1 0 467.622 2.904 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295367667 1063333085 /nfs/dbraw/zinc/33/30/85/1063333085.db2.gz ZFILHAWGLQKNPT-KKSFZXQISA-N 1 0 467.039 2.739 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295367490 1063333117 /nfs/dbraw/zinc/33/31/17/1063333117.db2.gz UPYOHICCFDIKIC-MZNJEOGPSA-N 1 0 456.591 2.552 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295368948 1063333583 /nfs/dbraw/zinc/33/35/83/1063333583.db2.gz YSRWEYMGXKVGNO-TZIWHRDSSA-N 1 0 471.650 2.710 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC001295372596 1063339420 /nfs/dbraw/zinc/33/94/20/1063339420.db2.gz GCKWDGMXWZZUNJ-IBGZPJMESA-N 1 0 484.624 2.879 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001295373452 1063341567 /nfs/dbraw/zinc/34/15/67/1063341567.db2.gz ODNSFSLCOXAUNK-YUXAGFNASA-N 1 0 453.591 2.711 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOC(C)(C)[C@H]1C ZINC001295373923 1063342083 /nfs/dbraw/zinc/34/20/83/1063342083.db2.gz UGXSLFLZZVYEIA-QZTJIDSGSA-N 1 0 467.618 2.926 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001295375124 1063343613 /nfs/dbraw/zinc/34/36/13/1063343613.db2.gz ZJBJRPJNSUBYOJ-NQIIRXRSSA-N 1 0 481.601 2.672 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001295375125 1063343677 /nfs/dbraw/zinc/34/36/77/1063343677.db2.gz ZJBJRPJNSUBYOJ-RXVVDRJESA-N 1 0 481.601 2.672 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001295376189 1063344647 /nfs/dbraw/zinc/34/46/47/1063344647.db2.gz KHUVZAAFHLNSGX-SFHVURJKSA-N 1 0 454.685 2.916 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295376084 1063344829 /nfs/dbraw/zinc/34/48/29/1063344829.db2.gz JCBKMSGHAATPEN-AABGKKOBSA-N 1 0 480.654 2.980 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295376934 1063346209 /nfs/dbraw/zinc/34/62/09/1063346209.db2.gz QRUAICJHXYIDDE-DENIHFKCSA-N 1 0 481.645 2.667 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295376936 1063346345 /nfs/dbraw/zinc/34/63/45/1063346345.db2.gz QRUAICJHXYIDDE-SIKLNZKXSA-N 1 0 481.645 2.667 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CCCO1 ZINC001291198067 1063347059 /nfs/dbraw/zinc/34/70/59/1063347059.db2.gz PFAUMZQVVWQIMI-IRXDYDNUSA-N 1 0 455.588 2.905 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001295378250 1063347665 /nfs/dbraw/zinc/34/76/65/1063347665.db2.gz ZFTPPVYYPWYSHS-CEXWTWQISA-N 1 0 461.611 2.987 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001295378710 1063349086 /nfs/dbraw/zinc/34/90/86/1063349086.db2.gz JAYPHZVKWIFUDX-MIZPHKNDSA-N 1 0 458.626 2.895 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](COC)C1 ZINC001295379249 1063350523 /nfs/dbraw/zinc/35/05/23/1063350523.db2.gz LPGUTBVHKKJZIO-AQNXPRMDSA-N 1 0 480.654 2.790 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379894 1063351738 /nfs/dbraw/zinc/35/17/38/1063351738.db2.gz NJNNDBLBJRJRQX-RDJZCZTQSA-N 1 0 455.575 2.825 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC001291199472 1063353501 /nfs/dbraw/zinc/35/35/01/1063353501.db2.gz OBIPDCYMEUIIIC-QZTJIDSGSA-N 1 0 461.010 2.961 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001295380904 1063353645 /nfs/dbraw/zinc/35/36/45/1063353645.db2.gz RYMXFVSXQJOTDJ-SSOJOUAXSA-N 1 0 485.608 2.553 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001295381918 1063354264 /nfs/dbraw/zinc/35/42/64/1063354264.db2.gz WROSJFFYTKMYTM-KRWDZBQOSA-N 1 0 498.644 2.738 20 0 JFADRO C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(NC(=O)N(C)C)cc2)C[C@@H]1N1CCOCC1 ZINC001291201646 1063357447 /nfs/dbraw/zinc/35/74/47/1063357447.db2.gz YTTHGUHXDAQOFO-RXVVDRJESA-N 1 0 469.634 2.874 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C(F)(F)F)O1 ZINC001291201872 1063357996 /nfs/dbraw/zinc/35/79/96/1063357996.db2.gz CWVXGZIPNBKQRJ-BRWVUGGUSA-N 1 0 474.572 2.674 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 ZINC001295384039 1063358340 /nfs/dbraw/zinc/35/83/40/1063358340.db2.gz DSDRGYBKJNQSBV-NHCUHLMSSA-N 1 0 452.607 2.923 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2)CC1 ZINC001295385324 1063360983 /nfs/dbraw/zinc/36/09/83/1063360983.db2.gz LSNWDCGVORWJNZ-NRFANRHFSA-N 1 0 453.635 2.766 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(C)c2)CC1 ZINC001295385325 1063361388 /nfs/dbraw/zinc/36/13/88/1063361388.db2.gz LSNWDCGVORWJNZ-OAQYLSRUSA-N 1 0 453.635 2.766 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295386499 1063362758 /nfs/dbraw/zinc/36/27/58/1063362758.db2.gz VAEIOBRHAGIHNY-OAQYLSRUSA-N 1 0 495.672 2.838 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295386738 1063363595 /nfs/dbraw/zinc/36/35/95/1063363595.db2.gz WFAHZVAOMPLONT-NLFFAJNJSA-N 1 0 489.686 2.817 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001295386933 1063364000 /nfs/dbraw/zinc/36/40/00/1063364000.db2.gz XEVRBFQGHDDVEB-HXUWFJFHSA-N 1 0 459.639 2.992 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)CC(C)(C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001291205763 1063365441 /nfs/dbraw/zinc/36/54/41/1063365441.db2.gz NOHDCULRIQQBLI-RBUKOAKNSA-N 1 0 492.690 2.749 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001295389900 1063368328 /nfs/dbraw/zinc/36/83/28/1063368328.db2.gz IKUGFLGTSBSHRQ-AEFFLSMTSA-N 1 0 462.599 2.794 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC(F)(F)c1ccccc1 ZINC001291206456 1063368828 /nfs/dbraw/zinc/36/88/28/1063368828.db2.gz WWUYSIXGHIGSCJ-QZTJIDSGSA-N 1 0 496.628 2.991 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2F)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001295390137 1063368847 /nfs/dbraw/zinc/36/88/47/1063368847.db2.gz PWWUKOIISQQBES-LJQANCHMSA-N 1 0 494.619 2.559 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001295390516 1063370011 /nfs/dbraw/zinc/37/00/11/1063370011.db2.gz PMDJMXYFQGTWGI-UHYQSWOWSA-N 1 0 489.665 2.638 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390650 1063370687 /nfs/dbraw/zinc/37/06/87/1063370687.db2.gz RVMXZOPDNBEKLD-RXVVDRJESA-N 1 0 476.588 2.733 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390651 1063370710 /nfs/dbraw/zinc/37/07/10/1063370710.db2.gz RVMXZOPDNBEKLD-WIYYLYMNSA-N 1 0 476.588 2.733 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390774 1063371370 /nfs/dbraw/zinc/37/13/70/1063371370.db2.gz AKPQZMUKOTXYGQ-SJLPKXTDSA-N 1 0 484.692 2.648 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1)c1ccsc1 ZINC001295391018 1063372838 /nfs/dbraw/zinc/37/28/38/1063372838.db2.gz DALBWNPLEOWUNW-RDJZCZTQSA-N 1 0 472.706 2.586 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001295392555 1063376937 /nfs/dbraw/zinc/37/69/37/1063376937.db2.gz YJFUMSPRANKJPG-SFTDATJTSA-N 1 0 480.661 2.940 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001295392633 1063377175 /nfs/dbraw/zinc/37/71/75/1063377175.db2.gz ZYKZXRAJBXVKMK-OAQYLSRUSA-N 1 0 487.718 2.795 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CCCOc1ccccc1 ZINC001291208307 1063378637 /nfs/dbraw/zinc/37/86/37/1063378637.db2.gz VVOQBOQPVKUZKA-UXHICEINSA-N 1 0 490.674 2.668 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccsc1 ZINC001295393675 1063379323 /nfs/dbraw/zinc/37/93/23/1063379323.db2.gz UEDDPOUSLAENKW-UXHICEINSA-N 1 0 485.662 2.994 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001295394458 1063381532 /nfs/dbraw/zinc/38/15/32/1063381532.db2.gz ZQVGYAOCRLTLRH-TUFLPTIASA-N 1 0 478.682 2.864 20 0 JFADRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](c3nc(-c4nc[nH]n4)no3)C(C)(C)C)CC2)c1 ZINC001295395106 1063381647 /nfs/dbraw/zinc/38/16/47/1063381647.db2.gz PEZCQJFOVNFEDH-LJQANCHMSA-N 1 0 452.563 2.579 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403889 1063389078 /nfs/dbraw/zinc/38/90/78/1063389078.db2.gz GZJNHKSFDZJHKE-DVECYGJZSA-N 1 0 487.674 2.508 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1)c1ccsc1 ZINC001295404611 1063390959 /nfs/dbraw/zinc/39/09/59/1063390959.db2.gz LLJRKAWRZSHIBB-FQEVSTJZSA-N 1 0 488.658 2.935 20 0 JFADRO NS(=O)(=O)c1ccc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc1Br ZINC001295404582 1063391115 /nfs/dbraw/zinc/39/11/15/1063391115.db2.gz YSQAFHNKRMTDBX-UHFFFAOYSA-N 1 0 458.422 2.825 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCS1 ZINC001291210880 1063391077 /nfs/dbraw/zinc/39/10/77/1063391077.db2.gz KBELEELJWDDSMR-ZBFHGGJFSA-N 1 0 469.453 2.824 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001291210911 1063391698 /nfs/dbraw/zinc/39/16/98/1063391698.db2.gz KRJBRRZQTAJYIT-INIZCTEOSA-N 1 0 481.439 2.886 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 ZINC001295405091 1063392380 /nfs/dbraw/zinc/39/23/80/1063392380.db2.gz PAVKKJRMPNYXMI-FGZHOGPDSA-N 1 0 482.654 2.965 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)C1)c1ccsc1 ZINC001295405776 1063394482 /nfs/dbraw/zinc/39/44/82/1063394482.db2.gz IGQWOYYGXSCTPC-FQEVSTJZSA-N 1 0 453.616 2.687 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 ZINC001295406947 1063397740 /nfs/dbraw/zinc/39/77/40/1063397740.db2.gz NHPVNQPKANYFGH-JOCHJYFZSA-N 1 0 468.627 2.582 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccsc1 ZINC001295407562 1063399038 /nfs/dbraw/zinc/39/90/38/1063399038.db2.gz WQKGMOPHDPUQMS-RTBURBONSA-N 1 0 462.664 2.963 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CCC[NH+]2CCCC2)CC(=O)N1C ZINC001291213802 1063409531 /nfs/dbraw/zinc/40/95/31/1063409531.db2.gz LEVQCWSBALHKCT-OAHLLOKOSA-N 1 0 479.398 3.000 20 0 JFADRO C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291214438 1063414281 /nfs/dbraw/zinc/41/42/81/1063414281.db2.gz WQXDUKKVQGOWOO-HLIPFELVSA-N 1 0 464.561 2.654 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(C)(C)O)CC[N@@H+](C2CCC2)C1 ZINC001291214930 1063420677 /nfs/dbraw/zinc/42/06/77/1063420677.db2.gz GTULEWOSMCJGRR-SFHVURJKSA-N 1 0 475.659 2.820 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC001291215510 1063427180 /nfs/dbraw/zinc/42/71/80/1063427180.db2.gz QJHCHTXTXZPCMZ-UTKZUKDTSA-N 1 0 461.632 2.693 20 0 JFADRO CCN(CC)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001295419360 1063428441 /nfs/dbraw/zinc/42/84/41/1063428441.db2.gz OALXYPCJJDNUAS-UHFFFAOYSA-N 1 0 468.650 2.611 20 0 JFADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1)[NH+](C)C ZINC001291217037 1063436777 /nfs/dbraw/zinc/43/67/77/1063436777.db2.gz VCOVWPBYTDZPMI-FUHIMQAGSA-N 1 0 477.451 2.815 20 0 JFADRO C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC001291217040 1063437735 /nfs/dbraw/zinc/43/77/35/1063437735.db2.gz VCOVWPBYTDZPMI-UWVAXJGDSA-N 1 0 477.451 2.815 20 0 JFADRO CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001295449493 1063453501 /nfs/dbraw/zinc/45/35/01/1063453501.db2.gz VCNWBYXVJLASRT-WOJBJXKFSA-N 1 0 456.639 2.798 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CC(F)(F)F)CC1 ZINC001295463038 1063463829 /nfs/dbraw/zinc/46/38/29/1063463829.db2.gz IEGPYJWQOMWSPB-UHFFFAOYSA-N 1 0 482.555 2.730 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001295464018 1063465794 /nfs/dbraw/zinc/46/57/94/1063465794.db2.gz XSKDYLRRGNHBKE-UHFFFAOYSA-N 1 0 467.618 2.831 20 0 JFADRO CCn1cnnc1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC([NH+](CC)CC)CC1 ZINC001295466641 1063471842 /nfs/dbraw/zinc/47/18/42/1063471842.db2.gz XSFHURJZNJSXMP-UHFFFAOYSA-N 1 0 468.606 2.933 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(C3CC3)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC001295471119 1063475794 /nfs/dbraw/zinc/47/57/94/1063475794.db2.gz JIEHZCXUFXLHQA-UHFFFAOYSA-N 1 0 460.648 2.765 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001295471865 1063476836 /nfs/dbraw/zinc/47/68/36/1063476836.db2.gz NTLRCQOMFGRYDN-YKSBVNFPSA-N 1 0 458.582 2.587 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nc(C)c(C)s2)CC1 ZINC001295473835 1063479433 /nfs/dbraw/zinc/47/94/33/1063479433.db2.gz VLKPBDQKIDPPAS-SFHVURJKSA-N 1 0 480.704 2.807 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230730 1063484747 /nfs/dbraw/zinc/48/47/47/1063484747.db2.gz HXECBTYTYONQLA-WOJBJXKFSA-N 1 0 487.649 2.576 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2CCCO2)CC1 ZINC001295479272 1063487601 /nfs/dbraw/zinc/48/76/01/1063487601.db2.gz CLSKQWPQPWWCOD-VQTJNVASSA-N 1 0 488.608 2.727 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)(C)O)CC1 ZINC001295479737 1063488428 /nfs/dbraw/zinc/48/84/28/1063488428.db2.gz IKKOXSDCWFSGTM-GOSISDBHSA-N 1 0 493.052 2.833 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)OC)CC1 ZINC001295481010 1063491515 /nfs/dbraw/zinc/49/15/15/1063491515.db2.gz RLUUXWYBIGNUPK-HXUWFJFHSA-N 1 0 479.629 2.827 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCCS2)CC1 ZINC001295482123 1063495616 /nfs/dbraw/zinc/49/56/16/1063495616.db2.gz DKNVSMTWFLERHV-FQEVSTJZSA-N 1 0 457.648 2.616 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001291235230 1063499433 /nfs/dbraw/zinc/49/94/33/1063499433.db2.gz KQEJKFPLVRDFKN-HYBUGGRVSA-N 1 0 459.639 2.962 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)cc2OC)CC1 ZINC001295482318 1063499711 /nfs/dbraw/zinc/49/97/11/1063499711.db2.gz JZVAGPBTCYTQRG-UHFFFAOYSA-N 1 0 477.613 2.696 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2c(C)noc2C)CC1 ZINC001295482344 1063499788 /nfs/dbraw/zinc/49/97/88/1063499788.db2.gz LBLZZYXZQKRKLR-UHFFFAOYSA-N 1 0 495.628 2.792 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001295482408 1063501097 /nfs/dbraw/zinc/50/10/97/1063501097.db2.gz NBJFCOGRFZNINU-ZJSXRUAMSA-N 1 0 483.661 2.782 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001295482557 1063502156 /nfs/dbraw/zinc/50/21/56/1063502156.db2.gz SXZPWKCSEYPCMO-JOCHJYFZSA-N 1 0 484.645 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCc2cn[nH]c2)CC1 ZINC001295482630 1063503342 /nfs/dbraw/zinc/50/33/42/1063503342.db2.gz VPFVASPIAIIXOG-UHFFFAOYSA-N 1 0 471.009 2.555 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCn2nc(C)cc2C)CC1 ZINC001295482732 1063505188 /nfs/dbraw/zinc/50/51/88/1063505188.db2.gz YVLXPFMDZSOKIL-UHFFFAOYSA-N 1 0 478.645 2.839 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295483037 1063506331 /nfs/dbraw/zinc/50/63/31/1063506331.db2.gz AXDNZLREUOACGA-RBUKOAKNSA-N 1 0 468.593 2.598 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291238575 1063507131 /nfs/dbraw/zinc/50/71/31/1063507131.db2.gz SKRMPHTZYKCBIE-UYAOXDASSA-N 1 0 470.622 2.961 20 0 JFADRO C[C@@H]1CN(c2nnc(C3CC3)n2CC2CC[NH+](CCN(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001291239926 1063509389 /nfs/dbraw/zinc/50/93/89/1063509389.db2.gz RYEUPDRZXYSVTG-LJQANCHMSA-N 1 0 475.682 2.875 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)C1 ZINC001291241026 1063510777 /nfs/dbraw/zinc/51/07/77/1063510777.db2.gz JBNWLIQKFJXFGT-LTIDMASMSA-N 1 0 458.529 2.506 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)c2ccccc2)CC1 ZINC001295484717 1063512726 /nfs/dbraw/zinc/51/27/26/1063512726.db2.gz QPHPITYQUYWXBC-PKTZIBPZSA-N 1 0 484.645 2.898 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001295486062 1063515083 /nfs/dbraw/zinc/51/50/83/1063515083.db2.gz FLTZHZBPDWCGQA-GOSISDBHSA-N 1 0 463.623 2.753 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CCc2nc(C)c(C)s2)CC1 ZINC001295490683 1063518016 /nfs/dbraw/zinc/51/80/16/1063518016.db2.gz DYRAAMMTWIYMAV-UHFFFAOYSA-N 1 0 496.685 2.570 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC2(C(C)C)CC2)CC1 ZINC001295490719 1063518383 /nfs/dbraw/zinc/51/83/83/1063518383.db2.gz FYDGKDMHMNQONT-UHFFFAOYSA-N 1 0 453.635 2.691 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2)CC1 ZINC001295490955 1063519879 /nfs/dbraw/zinc/51/98/79/1063519879.db2.gz KUMRPKFAGWZTGJ-NRFANRHFSA-N 1 0 471.675 2.540 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCS2)CC1 ZINC001295491586 1063523562 /nfs/dbraw/zinc/52/35/62/1063523562.db2.gz VIUMDSBKHOQZTK-IBGZPJMESA-N 1 0 477.704 2.520 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295491616 1063523692 /nfs/dbraw/zinc/52/36/92/1063523692.db2.gz WFABEYYLSUCLBA-SFHVURJKSA-N 1 0 459.639 2.876 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C2CC2)[NH+](C)C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291248649 1063523903 /nfs/dbraw/zinc/52/39/03/1063523903.db2.gz SROFACLZQBFDKT-RSPOEFSDSA-N 1 0 462.639 2.862 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2Cl)CC1 ZINC001295491893 1063524737 /nfs/dbraw/zinc/52/47/37/1063524737.db2.gz YWOFAJKWFDKOKT-UHFFFAOYSA-N 1 0 499.063 2.832 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001295491886 1063524852 /nfs/dbraw/zinc/52/48/52/1063524852.db2.gz YMCBDBMMXICVLD-SFTDATJTSA-N 1 0 454.619 2.812 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(C)C)C2)cc1 ZINC001295492286 1063525464 /nfs/dbraw/zinc/52/54/64/1063525464.db2.gz ALMFUVSCVXTOLD-YADHBBJMSA-N 1 0 454.619 2.981 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H]2CCOC2)cc1 ZINC001295494293 1063529400 /nfs/dbraw/zinc/52/94/00/1063529400.db2.gz NDOSNIHSXBURRL-FGZHOGPDSA-N 1 0 475.659 2.543 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251490 1063532215 /nfs/dbraw/zinc/53/22/15/1063532215.db2.gz IIDXSRQJOJDUJW-OALUTQOASA-N 1 0 482.695 2.960 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)c1 ZINC001295499764 1063532923 /nfs/dbraw/zinc/53/29/23/1063532923.db2.gz FCFIEZQWVOJGIZ-QHCPKHFHSA-N 1 0 482.654 2.777 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)c1 ZINC001295500952 1063534892 /nfs/dbraw/zinc/53/48/92/1063534892.db2.gz UMXWGGFMYUJTJR-QHCPKHFHSA-N 1 0 468.646 2.977 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295502853 1063537597 /nfs/dbraw/zinc/53/75/97/1063537597.db2.gz JDWDIUFUUNQKLF-OAQYLSRUSA-N 1 0 467.662 2.610 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c[nH]nc3c2)C1 ZINC001295503077 1063538130 /nfs/dbraw/zinc/53/81/30/1063538130.db2.gz JNQDVQXXRDXHIS-LJQANCHMSA-N 1 0 452.607 2.703 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295503256 1063538378 /nfs/dbraw/zinc/53/83/78/1063538378.db2.gz LLVNWSCLBORVER-UHFFFAOYSA-N 1 0 496.685 2.985 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001295503185 1063538451 /nfs/dbraw/zinc/53/84/51/1063538451.db2.gz JVERXYDHQLFCDR-UHFFFAOYSA-N 1 0 472.588 2.956 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 ZINC001295503277 1063538521 /nfs/dbraw/zinc/53/85/21/1063538521.db2.gz KSQRQEKRMYALSS-WOJBJXKFSA-N 1 0 488.608 2.584 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001295503606 1063539062 /nfs/dbraw/zinc/53/90/62/1063539062.db2.gz NTQXALMGFDEQDY-UHFFFAOYSA-N 1 0 476.691 2.984 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001295503989 1063540003 /nfs/dbraw/zinc/54/00/03/1063540003.db2.gz PSOVUNZRDSXTPQ-HXUWFJFHSA-N 1 0 491.681 2.939 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(OC)ccc2OC)C1 ZINC001295504787 1063540652 /nfs/dbraw/zinc/54/06/52/1063540652.db2.gz WOADJYBJTAPDDS-LJQANCHMSA-N 1 0 470.618 2.748 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295504811 1063540859 /nfs/dbraw/zinc/54/08/59/1063540859.db2.gz VCJFKCZQZRGWCF-UHFFFAOYSA-N 1 0 466.634 2.920 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2COCCO2)C1 ZINC001295505836 1063542461 /nfs/dbraw/zinc/54/24/61/1063542461.db2.gz IXVHERFTRGPAOC-RDJZCZTQSA-N 1 0 467.412 2.619 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2COCCO2)C1 ZINC001295505834 1063542574 /nfs/dbraw/zinc/54/25/74/1063542574.db2.gz IXVHERFTRGPAOC-DOTOQJQBSA-N 1 0 467.412 2.619 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)C1 ZINC001295506972 1063542987 /nfs/dbraw/zinc/54/29/87/1063542987.db2.gz MXSCRTQCOFELKJ-LJQANCHMSA-N 1 0 462.042 2.884 20 0 JFADRO CC(C)[N@@H+]1CCC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCO[C@H](C)C2)C1 ZINC001291255531 1063544248 /nfs/dbraw/zinc/54/42/48/1063544248.db2.gz JKQODOOABUYMBR-NJDAHSKKSA-N 1 0 492.665 2.932 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001295511520 1063546353 /nfs/dbraw/zinc/54/63/53/1063546353.db2.gz KOCGOVZDOCWOCY-HXUWFJFHSA-N 1 0 464.618 2.597 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2CCS(C)(=O)=O)C1 ZINC001295512205 1063547372 /nfs/dbraw/zinc/54/73/72/1063547372.db2.gz RMRMUCQDKODPFB-INIZCTEOSA-N 1 0 484.464 2.920 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 ZINC001295513154 1063548050 /nfs/dbraw/zinc/54/80/50/1063548050.db2.gz YWCNFIQWOWOOBD-FQEVSTJZSA-N 1 0 497.669 2.807 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256530 1063549086 /nfs/dbraw/zinc/54/90/86/1063549086.db2.gz WGUDHCRPBNNONR-VQTJNVASSA-N 1 0 496.722 2.605 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001295515709 1063549461 /nfs/dbraw/zinc/54/94/61/1063549461.db2.gz FJKAOKSONZHVAS-IFMALSPDSA-N 1 0 454.619 2.700 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1)C(C)C ZINC001291256731 1063549975 /nfs/dbraw/zinc/54/99/75/1063549975.db2.gz YRVRBTZWQDMXOA-RTWAWAEBSA-N 1 0 498.738 2.992 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)C1 ZINC001295516157 1063550463 /nfs/dbraw/zinc/55/04/63/1063550463.db2.gz FNXCVMWONPLZRV-VXKWHMMOSA-N 1 0 453.635 2.691 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CC(F)(F)F)CC2)C1 ZINC001295516070 1063550838 /nfs/dbraw/zinc/55/08/38/1063550838.db2.gz IKJUPQZTAUMBFV-RTBURBONSA-N 1 0 485.599 2.672 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001295516413 1063552545 /nfs/dbraw/zinc/55/25/45/1063552545.db2.gz ICMJQMIVNJFEQT-VQTJNVASSA-N 1 0 463.623 2.611 20 0 JFADRO C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC2(CCOCC2)O1 ZINC001291259451 1063552784 /nfs/dbraw/zinc/55/27/84/1063552784.db2.gz SJXPUQBNBSTUNM-NHCUHLMSSA-N 1 0 463.667 2.878 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001295516595 1063553458 /nfs/dbraw/zinc/55/34/58/1063553458.db2.gz JDBFNSPTXAOIDT-GGAORHGYSA-N 1 0 468.646 2.895 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 ZINC001295517089 1063553475 /nfs/dbraw/zinc/55/34/75/1063553475.db2.gz LCMJSTYELGXANO-FQEVSTJZSA-N 1 0 476.691 2.991 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)N(C)C)c2)C1 ZINC001295516603 1063553542 /nfs/dbraw/zinc/55/35/42/1063553542.db2.gz JDBFNSPTXAOIDT-JTHBVZDNSA-N 1 0 468.646 2.895 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)C1 ZINC001295517878 1063554404 /nfs/dbraw/zinc/55/44/04/1063554404.db2.gz NDADTMQNBANCRJ-ZWKOTPCHSA-N 1 0 451.662 2.767 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 ZINC001295520258 1063556346 /nfs/dbraw/zinc/55/63/46/1063556346.db2.gz UKUPFYNURVMEPW-UNMCSNQZSA-N 1 0 490.674 2.644 20 0 JFADRO CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291261381 1063556598 /nfs/dbraw/zinc/55/65/98/1063556598.db2.gz AKGAYVWEQSWQLU-NZQKXSOJSA-N 1 0 458.626 2.895 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@](C)(O)CC)C1 ZINC001295521037 1063556856 /nfs/dbraw/zinc/55/68/56/1063556856.db2.gz WSYIHOBYHZMZFX-DFIYOIEZSA-N 1 0 494.681 2.916 20 0 JFADRO CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC001295520829 1063557623 /nfs/dbraw/zinc/55/76/23/1063557623.db2.gz VWFKYPWTLGCTFU-MOPGFXCFSA-N 1 0 477.654 2.654 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001295522622 1063559601 /nfs/dbraw/zinc/55/96/01/1063559601.db2.gz LDBLACOWUBNQMU-LJQANCHMSA-N 1 0 477.654 2.692 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)cc2)C1 ZINC001295523143 1063560043 /nfs/dbraw/zinc/56/00/43/1063560043.db2.gz PEESOZANDMIOOC-NRFANRHFSA-N 1 0 467.618 2.575 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295523856 1063561298 /nfs/dbraw/zinc/56/12/98/1063561298.db2.gz AJQLGEAAAOKNDC-CTNGQTDRSA-N 1 0 483.617 2.814 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001295524112 1063561775 /nfs/dbraw/zinc/56/17/75/1063561775.db2.gz FGZOTHJJXJIQHI-OAQYLSRUSA-N 1 0 467.618 2.690 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001295525121 1063563452 /nfs/dbraw/zinc/56/34/52/1063563452.db2.gz UDTFZFWMAKVOAZ-SFHVURJKSA-N 1 0 491.438 2.870 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H]1CCOC1 ZINC001295525396 1063563506 /nfs/dbraw/zinc/56/35/06/1063563506.db2.gz VVDQKLVRFLGPMM-GOSISDBHSA-N 1 0 463.652 2.504 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001295525381 1063563632 /nfs/dbraw/zinc/56/36/32/1063563632.db2.gz VTBCJBRHUZXGOD-UHFFFAOYSA-N 1 0 478.439 2.589 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295531216 1063568356 /nfs/dbraw/zinc/56/83/56/1063568356.db2.gz SIHMBYZPXLPWTI-LJQANCHMSA-N 1 0 456.616 2.849 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnn(C)c2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 ZINC001295532792 1063569742 /nfs/dbraw/zinc/56/97/42/1063569742.db2.gz LMWYWXKFFIFASB-UHFFFAOYSA-N 1 0 474.013 2.902 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001295533489 1063570468 /nfs/dbraw/zinc/57/04/68/1063570468.db2.gz CSJPZUDDTIRTMC-IBGZPJMESA-N 1 0 480.617 2.630 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001295534056 1063571593 /nfs/dbraw/zinc/57/15/93/1063571593.db2.gz JBWOXOZXLIYZKZ-WOJBJXKFSA-N 1 0 480.654 2.982 20 0 JFADRO CC[NH+](CC)CCCn1c(CC2CCCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001295538764 1063574130 /nfs/dbraw/zinc/57/41/30/1063574130.db2.gz JBFFGCHFFQTTSA-NRFANRHFSA-N 1 0 459.639 2.509 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001295539785 1063574623 /nfs/dbraw/zinc/57/46/23/1063574623.db2.gz RGUVHGKRHCJNKI-GLDPYIMESA-N 1 0 490.674 2.774 20 0 JFADRO CC[NH+](CC)CCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001295539786 1063574662 /nfs/dbraw/zinc/57/46/62/1063574662.db2.gz RGUVHGKRHCJNKI-JXQFQVJHSA-N 1 0 490.674 2.774 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001295542140 1063577082 /nfs/dbraw/zinc/57/70/82/1063577082.db2.gz RDEWJMJAGUSWLG-IBGZPJMESA-N 1 0 458.607 2.814 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001295543034 1063577544 /nfs/dbraw/zinc/57/75/44/1063577544.db2.gz GPJCSXIOUPWIPY-PMACEKPBSA-N 1 0 493.722 2.737 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC001295543073 1063577687 /nfs/dbraw/zinc/57/76/87/1063577687.db2.gz WFXNPVILQDZYFE-MOPGFXCFSA-N 1 0 493.678 2.803 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001295543673 1063578609 /nfs/dbraw/zinc/57/86/09/1063578609.db2.gz ZKVPOVISQGBFPU-MRXNPFEDSA-N 1 0 455.575 2.502 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001295545206 1063580306 /nfs/dbraw/zinc/58/03/06/1063580306.db2.gz QXDBOROYHIPYMG-QFIPXVFZSA-N 1 0 483.661 2.815 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001295546528 1063581729 /nfs/dbraw/zinc/58/17/29/1063581729.db2.gz ZRPJCNPRCGCMOM-YSTOQKLRSA-N 1 0 462.639 2.863 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 ZINC001295550088 1063582717 /nfs/dbraw/zinc/58/27/17/1063582717.db2.gz CRTCYVXOOUJWIP-QGZVFWFLSA-N 1 0 476.025 2.973 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(c2ccc(O)cc2)CC1 ZINC001295550167 1063582841 /nfs/dbraw/zinc/58/28/41/1063582841.db2.gz DXZBTCKWQKDOQD-MSOLQXFVSA-N 1 0 476.647 2.618 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC001295552156 1063585124 /nfs/dbraw/zinc/58/51/24/1063585124.db2.gz XKSTWQLCGDFFIT-LDDOYCOJSA-N 1 0 481.494 2.639 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291276349 1063585736 /nfs/dbraw/zinc/58/57/36/1063585736.db2.gz KNQMMTZOKONLFA-OIISXLGYSA-N 1 0 486.564 2.921 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001295552933 1063585977 /nfs/dbraw/zinc/58/59/77/1063585977.db2.gz CXSPWKRVPGPARS-MRXNPFEDSA-N 1 0 486.020 2.994 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295553098 1063586005 /nfs/dbraw/zinc/58/60/05/1063586005.db2.gz FJHPMLZHJFIPTD-NVXWUHKLSA-N 1 0 470.039 2.961 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001295553852 1063587082 /nfs/dbraw/zinc/58/70/82/1063587082.db2.gz MBWRRCDUOKAQFS-IRLDBZIGSA-N 1 0 454.619 2.811 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295553971 1063587573 /nfs/dbraw/zinc/58/75/73/1063587573.db2.gz ODVUMWLGIVIZFL-YZGWKJHDSA-N 1 0 470.618 2.750 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291276801 1063588072 /nfs/dbraw/zinc/58/80/72/1063588072.db2.gz RZKCUZSMNSFVRD-ATZDWAIDSA-N 1 0 498.525 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295559219 1063591963 /nfs/dbraw/zinc/59/19/63/1063591963.db2.gz DNBMDRVFLINRPG-DENIHFKCSA-N 1 0 485.658 2.875 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001295559367 1063591995 /nfs/dbraw/zinc/59/19/95/1063591995.db2.gz FWVSREMEKYXTEJ-QZTJIDSGSA-N 1 0 458.611 2.911 20 0 JFADRO CCn1nc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001295559393 1063592010 /nfs/dbraw/zinc/59/20/10/1063592010.db2.gz GMRKRZTXIJJHHR-MSOLQXFVSA-N 1 0 453.591 2.630 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001295559403 1063592024 /nfs/dbraw/zinc/59/20/24/1063592024.db2.gz GRURBBDJCBSUHM-IEBWSBKVSA-N 1 0 477.654 2.701 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(C(N)=O)CC1 ZINC001295559443 1063592418 /nfs/dbraw/zinc/59/24/18/1063592418.db2.gz HFXZNVULPSUWTC-GOSISDBHSA-N 1 0 450.591 2.563 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CCc1cnccn1 ZINC001295560869 1063594496 /nfs/dbraw/zinc/59/44/96/1063594496.db2.gz ZKBKKBKRHVIDIF-QGZVFWFLSA-N 1 0 461.574 2.793 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001295563496 1063597053 /nfs/dbraw/zinc/59/70/53/1063597053.db2.gz MLSHATXGUQVSRD-LQWHRVPQSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001295564913 1063598379 /nfs/dbraw/zinc/59/83/79/1063598379.db2.gz DKRAAOLMZNYAFM-MJGOQNOKSA-N 1 0 460.648 2.845 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 ZINC001295565628 1063599385 /nfs/dbraw/zinc/59/93/85/1063599385.db2.gz MDMGXOHMRZUPFU-RTBURBONSA-N 1 0 458.582 2.895 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F ZINC001295566695 1063601017 /nfs/dbraw/zinc/60/10/17/1063601017.db2.gz UXCATLOXUHLBOI-MJGOQNOKSA-N 1 0 451.612 2.729 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001295567249 1063601783 /nfs/dbraw/zinc/60/17/83/1063601783.db2.gz YUGDSEBOUWKCIF-BZUAXINKSA-N 1 0 451.559 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001295567077 1063601882 /nfs/dbraw/zinc/60/18/82/1063601882.db2.gz HBPYRQYDRNADIC-LJQANCHMSA-N 1 0 452.582 2.855 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001295567127 1063601888 /nfs/dbraw/zinc/60/18/88/1063601888.db2.gz XYHWDPGGJOXJTN-QUCCMNQESA-N 1 0 470.684 2.500 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC(C)(C)C[NH+](C)C)C[C@@]2(CCOC2)O1 ZINC001291280277 1063602447 /nfs/dbraw/zinc/60/24/47/1063602447.db2.gz CWTFIKJRUNIOCV-HOYKHHGWSA-N 1 0 461.582 2.968 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295570324 1063605842 /nfs/dbraw/zinc/60/58/42/1063605842.db2.gz NHNAVIYKZTXSQN-HSALFYBXSA-N 1 0 491.681 2.870 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001295572101 1063609123 /nfs/dbraw/zinc/60/91/23/1063609123.db2.gz FYYOAQRKEQULBW-NCXUSEDFSA-N 1 0 455.669 2.550 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001295572596 1063610103 /nfs/dbraw/zinc/61/01/03/1063610103.db2.gz KXTCUYALVVJNPL-YRXWBPOGSA-N 1 0 476.588 2.805 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001295573112 1063610744 /nfs/dbraw/zinc/61/07/44/1063610744.db2.gz RWOHFUDEFGCYBV-GFEQUFNTSA-N 1 0 492.621 2.893 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295572920 1063610769 /nfs/dbraw/zinc/61/07/69/1063610769.db2.gz PMFNIJHMDYCLMI-CZSZKKDXSA-N 1 0 476.666 2.640 20 0 JFADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001291285070 1063624288 /nfs/dbraw/zinc/62/42/88/1063624288.db2.gz KJPQYCFJMKUMER-GXRSIYKFSA-N 1 0 462.683 2.694 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001291286097 1063629254 /nfs/dbraw/zinc/62/92/54/1063629254.db2.gz CJJXHCKMMGWDIK-BURNTYAHSA-N 1 0 492.665 2.511 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001291286175 1063629814 /nfs/dbraw/zinc/62/98/14/1063629814.db2.gz DQXXVYBEXZTGPB-SLFFLAALSA-N 1 0 492.665 2.509 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001291286099 1063629980 /nfs/dbraw/zinc/62/99/80/1063629980.db2.gz CJJXHCKMMGWDIK-MXEMCNAFSA-N 1 0 492.665 2.511 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1NC(=O)OC(C)(C)C ZINC001291286310 1063630668 /nfs/dbraw/zinc/63/06/68/1063630668.db2.gz HDHKYTPQIQCMDP-XRXFAXGQSA-N 1 0 492.665 2.716 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc([C@H]2CCCO2)n1CC[NH+]1CCSCC1 ZINC001295585647 1063632357 /nfs/dbraw/zinc/63/23/57/1063632357.db2.gz WZDSLAZKTPLECD-OAQYLSRUSA-N 1 0 472.659 2.907 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291287406 1063638677 /nfs/dbraw/zinc/63/86/77/1063638677.db2.gz BACJHNLVVYYZTQ-ZSYWTGECSA-N 1 0 496.703 2.791 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2cccs2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291287403 1063638836 /nfs/dbraw/zinc/63/88/36/1063638836.db2.gz BACJHNLVVYYZTQ-AKHDSKFASA-N 1 0 496.703 2.791 20 0 JFADRO C[C@@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287458 1063639726 /nfs/dbraw/zinc/63/97/26/1063639726.db2.gz BVSUHHVXYKZYQR-AQNXPRMDSA-N 1 0 488.608 2.760 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001295598919 1063643130 /nfs/dbraw/zinc/64/31/30/1063643130.db2.gz FHHGRZXDHAGWAJ-SIKLNZKXSA-N 1 0 470.618 2.765 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnccn2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001295599163 1063644215 /nfs/dbraw/zinc/64/42/15/1063644215.db2.gz IIBRVYYEPKDCEB-LJQANCHMSA-N 1 0 451.575 2.739 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2F)C[C@@H](C)O1 ZINC001291287938 1063644872 /nfs/dbraw/zinc/64/48/72/1063644872.db2.gz KIJLFMKWVSMWIY-WOJBJXKFSA-N 1 0 488.608 2.668 20 0 JFADRO C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291287998 1063644897 /nfs/dbraw/zinc/64/48/97/1063644897.db2.gz LIVYZSRGWYTGRO-RBUKOAKNSA-N 1 0 491.036 2.851 20 0 JFADRO C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C)C(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287996 1063644992 /nfs/dbraw/zinc/64/49/92/1063644992.db2.gz LIVYZSRGWYTGRO-MOPGFXCFSA-N 1 0 491.036 2.851 20 0 JFADRO C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288062 1063645961 /nfs/dbraw/zinc/64/59/61/1063645961.db2.gz MRVALXSLHOPZQB-ZCNNSNEGSA-N 1 0 488.608 2.760 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N(C)CCCS(C)(=O)=O)C[C@@H](C)O1 ZINC001291288160 1063647874 /nfs/dbraw/zinc/64/78/74/1063647874.db2.gz NZBWFLKUWKFELD-QZTJIDSGSA-N 1 0 484.066 2.969 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@H](C)O1 ZINC001291288413 1063648540 /nfs/dbraw/zinc/64/85/40/1063648540.db2.gz SCGKMEPMAHMJHQ-KURKYZTESA-N 1 0 461.010 2.765 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2ccoc2)C[C@H](C)O1 ZINC001291288441 1063649515 /nfs/dbraw/zinc/64/95/15/1063649515.db2.gz SIZHFHXIRPMSRR-HDICACEKSA-N 1 0 453.547 2.654 20 0 JFADRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O ZINC001291288750 1063652350 /nfs/dbraw/zinc/65/23/50/1063652350.db2.gz XXQYMBOPGDOFHD-LJQANCHMSA-N 1 0 488.683 2.580 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291288879 1063653124 /nfs/dbraw/zinc/65/31/24/1063653124.db2.gz ZSKZJNYNKZOERE-ROUUACIJSA-N 1 0 461.010 2.766 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001295606522 1063653337 /nfs/dbraw/zinc/65/33/37/1063653337.db2.gz BBZIUQZPDVFYII-VQTJNVASSA-N 1 0 491.658 2.708 20 0 JFADRO C[C@@H](CN(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1nccs1 ZINC001291289015 1063653884 /nfs/dbraw/zinc/65/38/84/1063653884.db2.gz CFOAQIVOROKYEK-OKZBNKHCSA-N 1 0 458.636 2.874 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291289071 1063654135 /nfs/dbraw/zinc/65/41/35/1063654135.db2.gz DERPTRWKKMNRSX-CEXWTWQISA-N 1 0 473.622 2.876 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C[C@@H](C)O1 ZINC001291289204 1063655644 /nfs/dbraw/zinc/65/56/44/1063655644.db2.gz GEQSHJGCWYELQB-QZTJIDSGSA-N 1 0 458.582 2.675 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3cccn3C)nnc2N(CCO)Cc2ccccc2)C[C@H](C)O1 ZINC001291289694 1063658903 /nfs/dbraw/zinc/65/89/03/1063658903.db2.gz OCIZRFZZEFQBTN-SFTDATJTSA-N 1 0 452.603 2.782 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCCO1 ZINC001291289925 1063660568 /nfs/dbraw/zinc/66/05/68/1063660568.db2.gz RYAKMHFNIKKJHR-HXUWFJFHSA-N 1 0 469.634 2.536 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cnccn2)CCCO1 ZINC001291290039 1063661544 /nfs/dbraw/zinc/66/15/44/1063661544.db2.gz UHMBGWRCNLDLHD-KRWDZBQOSA-N 1 0 456.982 2.921 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CCCO1 ZINC001291290091 1063662133 /nfs/dbraw/zinc/66/21/33/1063662133.db2.gz UWYVBXYQLXQFIF-IBGZPJMESA-N 1 0 473.622 2.831 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CC(C)(C)C)C[C@H](C)O1 ZINC001291290202 1063663104 /nfs/dbraw/zinc/66/31/04/1063663104.db2.gz WKTBTELMAHTCEW-KDURUIRLSA-N 1 0 467.622 2.902 20 0 JFADRO C[C@@H](N1CCN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1)C(F)(F)F ZINC001291290165 1063663214 /nfs/dbraw/zinc/66/32/14/1063663214.db2.gz VRVCMHCPRSTGOB-RBUKOAKNSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3cnn(C)c3)nnc2N(C)CCc2ccccc2F)C[C@H](C)O1 ZINC001291290743 1063665044 /nfs/dbraw/zinc/66/50/44/1063665044.db2.gz FIWLSMPFFCWRDS-OALUTQOASA-N 1 0 455.582 2.996 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001291291101 1063666593 /nfs/dbraw/zinc/66/65/93/1063666593.db2.gz KFGCGKBIOYZYDQ-BDTNDASRSA-N 1 0 478.682 2.566 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3cnccn3)nnc2N(C)CCOc2ccccc2)C[C@H](C)O1 ZINC001291291303 1063668296 /nfs/dbraw/zinc/66/82/96/1063668296.db2.gz MXIHISXVALFSRO-PMACEKPBSA-N 1 0 451.575 2.750 20 0 JFADRO CCN(Cc1ccccc1C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295623877 1063668391 /nfs/dbraw/zinc/66/83/91/1063668391.db2.gz CTVXISVEGBMWFB-XMMPIXPASA-N 1 0 468.627 2.671 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC001291291312 1063669235 /nfs/dbraw/zinc/66/92/35/1063669235.db2.gz NAYGUTPBMAICNW-NCOADZHNSA-N 1 0 458.529 2.507 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)cc2)C[C@H](C)O1 ZINC001291291323 1063669260 /nfs/dbraw/zinc/66/92/60/1063669260.db2.gz NCEVPQXFHRIROC-QKLQHJQFSA-N 1 0 492.571 2.966 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C3CCC3)nnc2N2CCC(CNC(=O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291291877 1063672415 /nfs/dbraw/zinc/67/24/15/1063672415.db2.gz VTIQOVYLQAQMSM-IRXDYDNUSA-N 1 0 486.583 2.940 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3noc4c3COCC4)nnc2N(C)CCC(F)F)C[C@H](C)O1 ZINC001291291983 1063673481 /nfs/dbraw/zinc/67/34/81/1063673481.db2.gz XDLQAFZAAFWFCN-GJZGRUSLSA-N 1 0 454.522 2.597 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292082 1063673627 /nfs/dbraw/zinc/67/36/27/1063673627.db2.gz YQFQZSZZRHJFFT-OALUTQOASA-N 1 0 474.572 2.705 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(F)(F)F)CC2)CCCO1 ZINC001291292084 1063674012 /nfs/dbraw/zinc/67/40/12/1063674012.db2.gz YQFQZSZZRHJFFT-RTBURBONSA-N 1 0 474.572 2.705 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(CC3CCCC3)nnc2N2CCN(CC(F)F)CC2)CCCO1 ZINC001291292246 1063675052 /nfs/dbraw/zinc/67/50/52/1063675052.db2.gz BDZOVPJHWXZJGY-IBGZPJMESA-N 1 0 454.610 2.899 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001295635031 1063677570 /nfs/dbraw/zinc/67/75/70/1063677570.db2.gz BYLXCUIAZNEUDI-FUHWJXTLSA-N 1 0 466.677 2.993 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N2CCCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC001291293041 1063680768 /nfs/dbraw/zinc/68/07/68/1063680768.db2.gz NWAONSIMIYMBLW-BGYRXZFFSA-N 1 0 495.594 2.838 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CCc3ccccc3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291293118 1063682805 /nfs/dbraw/zinc/68/28/05/1063682805.db2.gz PHMZFJVUIVLFLC-SFTDATJTSA-N 1 0 470.662 2.914 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001291293829 1063686140 /nfs/dbraw/zinc/68/61/40/1063686140.db2.gz AGUAZBSRVGSWIK-IRXDYDNUSA-N 1 0 479.050 2.659 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCCNS(C)(=O)=O ZINC001291294109 1063687903 /nfs/dbraw/zinc/68/79/03/1063687903.db2.gz FGLAKMOJZDJLAN-NQIIRXRSSA-N 1 0 474.675 2.855 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001295646448 1063688343 /nfs/dbraw/zinc/68/83/43/1063688343.db2.gz KIJYGKYBRDUEPN-OAQYLSRUSA-N 1 0 456.639 2.785 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccc(Br)s2)n1CC(=O)NCC(F)F ZINC001291294514 1063689705 /nfs/dbraw/zinc/68/97/05/1063689705.db2.gz KUCQJHXZEQKJAV-VXGBXAGGSA-N 1 0 489.390 2.823 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CC(=O)NCC(F)F ZINC001291294649 1063690502 /nfs/dbraw/zinc/69/05/02/1063690502.db2.gz NIYKWZREARBJFE-CJNGLKHVSA-N 1 0 483.361 2.762 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(N3CCN(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295052 1063693301 /nfs/dbraw/zinc/69/33/01/1063693301.db2.gz UARQJFSQLANGKE-OAQYLSRUSA-N 1 0 475.682 2.804 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291295292 1063694309 /nfs/dbraw/zinc/69/43/09/1063694309.db2.gz XDZLLBUOPNQLBL-MHXAIHSWSA-N 1 0 490.693 2.788 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295524 1063696340 /nfs/dbraw/zinc/69/63/40/1063696340.db2.gz ACPJNHIPJZMYRN-YLJYHZDGSA-N 1 0 463.623 2.894 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2ccccc2C)n1CCC[NH+]1CCC(O)CC1 ZINC001295663245 1063705897 /nfs/dbraw/zinc/70/58/97/1063705897.db2.gz YMRPZTWUDZQCQP-UHFFFAOYSA-N 1 0 451.619 2.784 20 0 JFADRO 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CC[C@@](C)(O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001291370772 1063896409 /nfs/dbraw/zinc/89/64/09/1063896409.db2.gz CSRDDSHDJJOPQI-RCZVLFRGSA-N 1 0 456.635 2.939 20 0 JFADRO CC[N@H+](CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C ZINC001295865675 1063898411 /nfs/dbraw/zinc/89/84/11/1063898411.db2.gz NNSYVYQNQMCESO-JOCHJYFZSA-N 1 0 486.661 2.836 20 0 JFADRO CC[N@H+](CCn1c(CSc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C)C1CC1 ZINC001295867815 1063903288 /nfs/dbraw/zinc/90/32/88/1063903288.db2.gz AAZHNIQRRMYBOY-KRWDZBQOSA-N 1 0 458.632 2.730 20 0 JFADRO CC[N@H+](CCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868776 1063905808 /nfs/dbraw/zinc/90/58/08/1063905808.db2.gz XCEUXRKEEZCBEZ-VWLOTQADSA-N 1 0 488.633 2.604 20 0 JFADRO CC[C@@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](COC)C1 ZINC001291378051 1063910525 /nfs/dbraw/zinc/91/05/25/1063910525.db2.gz ZWJJRZWPVOGGEA-ATIYNZHBSA-N 1 0 470.662 2.667 20 0 JFADRO CC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@H](COC)C1 ZINC001291378054 1063910653 /nfs/dbraw/zinc/91/06/53/1063910653.db2.gz ZWJJRZWPVOGGEA-NVQXNPDNSA-N 1 0 470.662 2.667 20 0 JFADRO CC[N@H+](CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(F)cn2)CC1)C(C)C ZINC001295873637 1063911035 /nfs/dbraw/zinc/91/10/35/1063911035.db2.gz MNTCKIRWDBTZLW-UGKGYDQZSA-N 1 0 475.613 2.593 20 0 JFADRO CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291379174 1063913761 /nfs/dbraw/zinc/91/37/61/1063913761.db2.gz VCRZKUBNVIGTBE-SQJMNOBHSA-N 1 0 474.625 2.762 20 0 JFADRO CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001291379617 1063914932 /nfs/dbraw/zinc/91/49/32/1063914932.db2.gz BTDODNJZBXLLAS-LFALDJFMSA-N 1 0 462.639 2.884 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001291381928 1063921284 /nfs/dbraw/zinc/92/12/84/1063921284.db2.gz OXTPLZIXHBRLPV-CPJSRVTESA-N 1 0 456.635 2.844 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001291381764 1063921457 /nfs/dbraw/zinc/92/14/57/1063921457.db2.gz NIYLFCIPZZTSSD-WXVAWEFUSA-N 1 0 497.688 2.570 20 0 JFADRO CC[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291382618 1063924775 /nfs/dbraw/zinc/92/47/75/1063924775.db2.gz ZUNQECJPUZPQHS-UWHHFBIGSA-N 1 0 463.667 2.906 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001295884624 1063931025 /nfs/dbraw/zinc/93/10/25/1063931025.db2.gz ABWIFEBHWBEGSJ-CVDCTZTESA-N 1 0 462.664 2.645 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc([C@H]2COc3ccccc3O2)n1CC1([NH+](C)C)CCCC1 ZINC001295887595 1063935813 /nfs/dbraw/zinc/93/58/13/1063935813.db2.gz WCHJLAJQINWTPF-HXUWFJFHSA-N 1 0 477.631 2.536 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([NH+](C)C)CCCC1 ZINC001295887594 1063935835 /nfs/dbraw/zinc/93/58/35/1063935835.db2.gz WCHJLAJQINWTPF-FQEVSTJZSA-N 1 0 477.631 2.536 20 0 JFADRO CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001291389533 1063939651 /nfs/dbraw/zinc/93/96/51/1063939651.db2.gz MRVFQDDQZHRKMO-CLOONOSVSA-N 1 0 474.625 2.872 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(CC4CCCC4)n3CC[NH+](C(C)C)C(C)C)CCN2C1=O ZINC001295892125 1063944050 /nfs/dbraw/zinc/94/40/50/1063944050.db2.gz FIWXMGITCVNIJI-FQEVSTJZSA-N 1 0 459.639 2.602 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001291393203 1063945330 /nfs/dbraw/zinc/94/53/30/1063945330.db2.gz IJSARMNJZYNLGS-CYFREDJKSA-N 1 0 457.623 2.613 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291396820 1063952649 /nfs/dbraw/zinc/95/26/49/1063952649.db2.gz CPXPZUHLOHTYHF-BPYKYCOYSA-N 1 0 462.683 2.574 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@H+](C)C(C)C)CCO2)cn1 ZINC001295901107 1063954002 /nfs/dbraw/zinc/95/40/02/1063954002.db2.gz DYKXUIPHVXPRSV-JOCHJYFZSA-N 1 0 452.607 2.789 20 0 JFADRO CCn1cc([C@@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@H+](C)C(C)C)CCO2)cn1 ZINC001295901108 1063954027 /nfs/dbraw/zinc/95/40/27/1063954027.db2.gz DYKXUIPHVXPRSV-QFIPXVFZSA-N 1 0 452.607 2.789 20 0 JFADRO CCn1cc(CN(C)c2nnc(C(=O)NC(C)C)n2CC2([NH+]3CCC(OC)CC3)CCCC2)cn1 ZINC001295901800 1063955175 /nfs/dbraw/zinc/95/51/75/1063955175.db2.gz LSBJGALCKKCXMW-UHFFFAOYSA-N 1 0 486.665 2.693 20 0 JFADRO CCn1cc([C@@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001295902390 1063956196 /nfs/dbraw/zinc/95/61/96/1063956196.db2.gz MHPIXRPDTTVOFY-NRFANRHFSA-N 1 0 474.009 2.971 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001291398313 1063956453 /nfs/dbraw/zinc/95/64/53/1063956453.db2.gz WNFOKSUYLWMNPK-TXNPELCJSA-N 1 0 494.681 2.914 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(-c4cc(OC)cc(OC)c4)n3C[C@@H](C)[NH+](C)C)CCO2)cn1 ZINC001295903342 1063958436 /nfs/dbraw/zinc/95/84/36/1063958436.db2.gz SAHGTTGASBOUIP-VGOFRKELSA-N 1 0 469.590 2.707 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001291402291 1063965428 /nfs/dbraw/zinc/96/54/28/1063965428.db2.gz VXAROFRHPLKBDY-JKSBSHDWSA-N 1 0 450.653 2.588 20 0 JFADRO CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001291403112 1063967337 /nfs/dbraw/zinc/96/73/37/1063967337.db2.gz GTBGQAJBUHNNAN-QLWBXOBMSA-N 1 0 473.666 2.626 20 0 JFADRO CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291403358 1063968571 /nfs/dbraw/zinc/96/85/71/1063968571.db2.gz JZFRESCWWXOAIE-AMGIVPHBSA-N 1 0 498.672 2.707 20 0 JFADRO CC(C)C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(=O)NCC[NH+](C)C ZINC001295921634 1063976847 /nfs/dbraw/zinc/97/68/47/1063976847.db2.gz TVKOWNSUWRHWDK-RDJZCZTQSA-N 1 0 457.402 2.555 20 0 JFADRO CC[C@@H](C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCc2ccccc2)CC1)OC ZINC001291407026 1063978650 /nfs/dbraw/zinc/97/86/50/1063978650.db2.gz GCUKVSVOMKLLEA-GGAORHGYSA-N 1 0 468.646 2.940 20 0 JFADRO CC[C@H](C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC001291419833 1063999527 /nfs/dbraw/zinc/99/95/27/1063999527.db2.gz QHJNSKNVVPRQDN-FUDKSRODSA-N 1 0 462.683 2.838 20 0 JFADRO CCn1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)c1=O ZINC001295950173 1064001131 /nfs/dbraw/zinc/00/11/31/1064001131.db2.gz CJIJKWZUBHWJRX-UHFFFAOYSA-N 1 0 466.634 2.680 20 0 JFADRO CCn1cnnc1Cn1c(-c2ccccc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001295960544 1064010381 /nfs/dbraw/zinc/01/03/81/1064010381.db2.gz SGYJAILMEPZEFB-UHFFFAOYSA-N 1 0 478.523 2.696 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@@H]2CCCN(c3cccnn3)C2)n1CCCC[NH+]1CCOCC1 ZINC001291434083 1064014299 /nfs/dbraw/zinc/01/42/99/1064014299.db2.gz IQBMHWLWLYQBLL-LEWJYISDSA-N 1 0 456.639 2.799 20 0 JFADRO CC[C@H](C)c1nnc(N(C)[C@H]2CCCN(c3cccnn3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291434714 1064015508 /nfs/dbraw/zinc/01/55/08/1064015508.db2.gz RZPHXKNGNXTAIL-SFTDATJTSA-N 1 0 469.682 2.713 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001291436411 1064017074 /nfs/dbraw/zinc/01/70/74/1064017074.db2.gz USNVHDSNOAOKQO-FQEVSTJZSA-N 1 0 454.619 2.731 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001295975142 1064018366 /nfs/dbraw/zinc/01/83/66/1064018366.db2.gz AMSYQGAKMGTKAR-MSOLQXFVSA-N 1 0 490.052 2.695 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCOC)C[C@@H]1C ZINC001295975400 1064018680 /nfs/dbraw/zinc/01/86/80/1064018680.db2.gz CULRYWZELKMLSI-RBUKOAKNSA-N 1 0 453.591 2.917 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCN2CCOCC2)C[C@H]1C ZINC001295975477 1064019662 /nfs/dbraw/zinc/01/96/62/1064019662.db2.gz DJYREEHEWZOTMJ-WOJBJXKFSA-N 1 0 472.634 2.604 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2Cc2nncn2C)C[C@H]1C ZINC001295976072 1064021594 /nfs/dbraw/zinc/02/15/94/1064021594.db2.gz CFQPPBFATWELGK-HUUCEWRRSA-N 1 0 459.396 2.803 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001291455905 1064021678 /nfs/dbraw/zinc/02/16/78/1064021678.db2.gz GLQHXCDLKCNCHQ-XUZZJYLKSA-N 1 0 484.689 2.954 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001291455904 1064021814 /nfs/dbraw/zinc/02/18/14/1064021814.db2.gz GLQHXCDLKCNCHQ-URXFXBBRSA-N 1 0 484.689 2.954 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2c(C)nn(C)c2C)C[C@@H]1C ZINC001295977253 1064022933 /nfs/dbraw/zinc/02/29/33/1064022933.db2.gz NXVULBPQXDITLG-IRXDYDNUSA-N 1 0 485.658 2.666 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001295976840 1064022960 /nfs/dbraw/zinc/02/29/60/1064022960.db2.gz LOXPUHPNZJBXME-UONOGXRCSA-N 1 0 472.487 2.847 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)CCN2CCOCC2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001291457088 1064023258 /nfs/dbraw/zinc/02/32/58/1064023258.db2.gz DSKBJGZDGPJFAE-OAQYLSRUSA-N 1 0 470.662 2.565 20 0 JFADRO CC[C@H](C)c1nnc(N(C)CCN2CCOCC2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001291457308 1064023317 /nfs/dbraw/zinc/02/33/17/1064023317.db2.gz IWPROCPGDVXSSU-LADGPHEKSA-N 1 0 470.662 2.851 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001295977884 1064024402 /nfs/dbraw/zinc/02/44/02/1064024402.db2.gz LYIMZWPFTCGQLR-ULQDDVLXSA-N 1 0 461.661 2.693 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001295977876 1064025150 /nfs/dbraw/zinc/02/51/50/1064025150.db2.gz QHKGHFWRVGQICH-LSDHHAIUSA-N 1 0 466.428 2.823 20 0 JFADRO CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCC(=O)NC(C)C ZINC001291458768 1064025327 /nfs/dbraw/zinc/02/53/27/1064025327.db2.gz NLBFATHYFONZRH-XQBPLPMBSA-N 1 0 458.655 2.959 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001295978751 1064026035 /nfs/dbraw/zinc/02/60/35/1064026035.db2.gz LAFSFCZCLRCMLX-IAGOWNOFSA-N 1 0 477.679 2.627 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001295978695 1064026108 /nfs/dbraw/zinc/02/61/08/1064026108.db2.gz SOTOZSSCSKPMMB-DLBZAZTESA-N 1 0 469.590 2.672 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC(C)(C)O)C[C@H]1C ZINC001295978755 1064026561 /nfs/dbraw/zinc/02/65/61/1064026561.db2.gz LAFSFCZCLRCMLX-SJORKVTESA-N 1 0 477.679 2.627 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470123 1064030035 /nfs/dbraw/zinc/03/00/35/1064030035.db2.gz LTLORUPFHLBZCT-CNNODRBYSA-N 1 0 469.634 2.622 20 0 JFADRO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295980394 1064030197 /nfs/dbraw/zinc/03/01/97/1064030197.db2.gz YTDWOUFQPHQFOR-MOPGFXCFSA-N 1 0 478.663 2.544 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccnc2)C[C@@H]1C ZINC001295980433 1064030654 /nfs/dbraw/zinc/03/06/54/1064030654.db2.gz ZAWZZFUQHBEIFT-OALUTQOASA-N 1 0 468.627 2.905 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ncccc1C ZINC001291470311 1064031088 /nfs/dbraw/zinc/03/10/88/1064031088.db2.gz OETYNTBNONFPBI-LEDOBFOHSA-N 1 0 453.635 2.922 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291470656 1064031509 /nfs/dbraw/zinc/03/15/09/1064031509.db2.gz SZRUPOLDNIGSGJ-XJUOHMSHSA-N 1 0 461.699 2.899 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCOC[C@H]1CCCO1 ZINC001291471090 1064033482 /nfs/dbraw/zinc/03/34/82/1064033482.db2.gz YVTYJBLXKIVZCC-ZQRMPTRQSA-N 1 0 490.693 2.756 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCCOC3)C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291473562 1064034317 /nfs/dbraw/zinc/03/43/17/1064034317.db2.gz GFTMZCSMNBOJGA-HWBMXIPRSA-N 1 0 462.683 2.984 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC001295982542 1064035582 /nfs/dbraw/zinc/03/55/82/1064035582.db2.gz URHFAKFQXFHAJW-SQNIBIBYSA-N 1 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487.693 2.606 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001295983318 1064038994 /nfs/dbraw/zinc/03/89/94/1064038994.db2.gz IAIDNTRJHGASEQ-FIKGOQFSSA-N 1 0 470.618 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@H]1C ZINC001295983906 1064040267 /nfs/dbraw/zinc/04/02/67/1064040267.db2.gz XQJKZKGGHNPXLG-CVEARBPZSA-N 1 0 476.427 2.647 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@@H]1C ZINC001295983907 1064040291 /nfs/dbraw/zinc/04/02/91/1064040291.db2.gz XQJKZKGGHNPXLG-HOTGVXAUSA-N 1 0 476.427 2.647 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001295984099 1064041322 /nfs/dbraw/zinc/04/13/22/1064041322.db2.gz LCOFTOFIMHDHFX-IRXDYDNUSA-N 1 0 458.998 2.692 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc4cccnc43)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001295984429 1064041728 /nfs/dbraw/zinc/04/17/28/1064041728.db2.gz MRONBGSVJFPIOP-CVEARBPZSA-N 1 0 457.529 2.794 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001295984556 1064042499 /nfs/dbraw/zinc/04/24/99/1064042499.db2.gz ZUNHNORDWFWMRD-YESZJQIVSA-N 1 0 485.054 2.540 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@@H]1C ZINC001295987173 1064043370 /nfs/dbraw/zinc/04/33/70/1064043370.db2.gz ZAMLHJRDOYPJRI-IRXDYDNUSA-N 1 0 451.999 2.925 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCOCCCO)C[C@H]1C ZINC001295987174 1064043568 /nfs/dbraw/zinc/04/35/68/1064043568.db2.gz ZAMLHJRDOYPJRI-SJORKVTESA-N 1 0 451.999 2.925 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CC(=O)N1CCOCC1 ZINC001291492174 1064045385 /nfs/dbraw/zinc/04/53/85/1064045385.db2.gz SEMCMBLPFVIBQI-SFTDATJTSA-N 1 0 454.619 2.751 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3noc4c3COCC4)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001295991198 1064045837 /nfs/dbraw/zinc/04/58/37/1064045837.db2.gz AKKGORHZPLXMSJ-IAGOWNOFSA-N 1 0 489.621 2.840 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291493878 1064046583 /nfs/dbraw/zinc/04/65/83/1064046583.db2.gz QPKXDUJAOZVUCV-KKFFFLSNSA-N 1 0 459.639 2.727 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001291494365 1064047382 /nfs/dbraw/zinc/04/73/82/1064047382.db2.gz YVENHODGMMXHBW-JCEJCQQGSA-N 1 0 457.579 2.502 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1C[C@]1(O)CCSC1 ZINC001291499925 1064051103 /nfs/dbraw/zinc/05/11/03/1064051103.db2.gz OYCCZVXABPVTDL-AUSIDOKSSA-N 1 0 451.681 2.988 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCSCCCO)c2ccccc2c1=O ZINC001295996131 1064051885 /nfs/dbraw/zinc/05/18/85/1064051885.db2.gz MKTXNJGKWCMDDK-OALUTQOASA-N 1 0 499.685 2.709 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CCSCCCO)c2ccccc2c1=O ZINC001295996133 1064052421 /nfs/dbraw/zinc/05/24/21/1064052421.db2.gz MKTXNJGKWCMDDK-RBUKOAKNSA-N 1 0 499.685 2.709 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC001295998207 1064055163 /nfs/dbraw/zinc/05/51/63/1064055163.db2.gz TYVOJAYHSXMIKY-VQTJNVASSA-N 1 0 465.602 2.865 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001291504743 1064056249 /nfs/dbraw/zinc/05/62/49/1064056249.db2.gz WFQPIKUSLVQNQE-PZJWPPBQSA-N 1 0 468.712 2.925 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001295999713 1064056525 /nfs/dbraw/zinc/05/65/25/1064056525.db2.gz XEVVWAFJUDHSFP-MKBNYLNASA-N 1 0 454.472 2.753 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296002073 1064057415 /nfs/dbraw/zinc/05/74/15/1064057415.db2.gz KKXLXDSGDFOQBM-DLBZAZTESA-N 1 0 468.005 2.983 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1C ZINC001296002075 1064057529 /nfs/dbraw/zinc/05/75/29/1064057529.db2.gz KKXLXDSGDFOQBM-IRXDYDNUSA-N 1 0 468.005 2.983 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001296001200 1064057597 /nfs/dbraw/zinc/05/75/97/1064057597.db2.gz GIDYNTAKJWDSMI-WOJBJXKFSA-N 1 0 453.635 2.831 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@H]1C ZINC001296003207 1064058630 /nfs/dbraw/zinc/05/86/30/1064058630.db2.gz SBEYPDWICQOKDO-QZTJIDSGSA-N 1 0 454.550 2.836 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001296004348 1064059741 /nfs/dbraw/zinc/05/97/41/1064059741.db2.gz YVIKHAXLVWCHPG-SJORKVTESA-N 1 0 473.423 2.842 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CC(=O)NCc1ccco1 ZINC001291510062 1064061258 /nfs/dbraw/zinc/06/12/58/1064061258.db2.gz OJBRQCMFXDZALH-HXUWFJFHSA-N 1 0 471.650 2.696 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ncccc1N(C)C ZINC001291510521 1064062359 /nfs/dbraw/zinc/06/23/59/1064062359.db2.gz XLQUUHJCAXIGBU-RTWAWAEBSA-N 1 0 454.667 2.906 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001291510506 1064062393 /nfs/dbraw/zinc/06/23/93/1064062393.db2.gz XFRQMYRLLHLHHU-JTHBVZDNSA-N 1 0 497.688 2.922 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NC(=O)COC)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001291510948 1064062702 /nfs/dbraw/zinc/06/27/02/1064062702.db2.gz HHGLTVAATMPBOK-LAUBAEHRSA-N 1 0 460.598 2.965 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC(F)F)C[C@@H]1C ZINC001296008963 1064063515 /nfs/dbraw/zinc/06/35/15/1064063515.db2.gz COPDJVWIPMDYLX-ROUUACIJSA-N 1 0 464.561 2.774 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)C[C@@H]1C ZINC001296009315 1064063782 /nfs/dbraw/zinc/06/37/82/1064063782.db2.gz JRJJUDHCHHTXOL-ZWOKBUDYSA-N 1 0 459.664 2.811 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001296009431 1064064748 /nfs/dbraw/zinc/06/47/48/1064064748.db2.gz GEUHWJUYQVNXDX-RTBURBONSA-N 1 0 470.618 2.579 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001296009659 1064065870 /nfs/dbraw/zinc/06/58/70/1064065870.db2.gz IBWHAZZNPDLWJA-SFTDATJTSA-N 1 0 486.661 2.895 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001296009658 1064065917 /nfs/dbraw/zinc/06/59/17/1064065917.db2.gz IBWHAZZNPDLWJA-RTWAWAEBSA-N 1 0 486.661 2.895 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCCn2ccnn2)C[C@@H]1C ZINC001296010277 1064068182 /nfs/dbraw/zinc/06/81/82/1064068182.db2.gz AZXKJZCIWAKMOT-ZGXWSNOMSA-N 1 0 487.653 2.650 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001296010381 1064068559 /nfs/dbraw/zinc/06/85/59/1064068559.db2.gz PUHVGICAJYMMSB-RTBURBONSA-N 1 0 454.619 2.517 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](C)N2CCOCC2)C[C@@H]1C ZINC001296010706 1064069024 /nfs/dbraw/zinc/06/90/24/1064069024.db2.gz CTHCQUOVWYGQQT-ACRUOGEOSA-N 1 0 472.634 2.505 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001296012325 1064072754 /nfs/dbraw/zinc/07/27/54/1064072754.db2.gz JTXVYQPSYNTKPF-NNMXDRDESA-N 1 0 470.618 2.564 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001296015319 1064077727 /nfs/dbraw/zinc/07/77/27/1064077727.db2.gz RVEKQQCDVVHUMX-STSQHVNTSA-N 1 0 461.632 2.653 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296016921 1064077980 /nfs/dbraw/zinc/07/79/80/1064077980.db2.gz BQWIZZAQLCNFKZ-UHFFFAOYSA-N 1 0 479.633 2.755 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296016909 1064077985 /nfs/dbraw/zinc/07/79/85/1064077985.db2.gz BNCQDZXGRGQFAQ-NRFANRHFSA-N 1 0 489.709 2.917 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001296017270 1064078666 /nfs/dbraw/zinc/07/86/66/1064078666.db2.gz XKYXMVAENAHETL-OALUTQOASA-N 1 0 482.658 2.951 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](n3nc(C)nc3C)C2)CC1 ZINC001296018384 1064080497 /nfs/dbraw/zinc/08/04/97/1064080497.db2.gz OIZIQWMJPXZJNL-OAQYLSRUSA-N 1 0 471.654 2.588 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001291539733 1064081615 /nfs/dbraw/zinc/08/16/15/1064081615.db2.gz IJQHJWBAQWPOAW-DBVUQKKJSA-N 1 0 483.596 2.766 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cc(Br)c[nH]3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001296021227 1064082008 /nfs/dbraw/zinc/08/20/08/1064082008.db2.gz GXKUJUZAHDDVSM-HNNXBMFYSA-N 1 0 478.439 2.825 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001296021433 1064082359 /nfs/dbraw/zinc/08/23/59/1064082359.db2.gz HHEHXDXFCHHDQL-UYAOXDASSA-N 1 0 454.685 2.883 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296024572 1064084436 /nfs/dbraw/zinc/08/44/36/1064084436.db2.gz BYTQNTQBYZPKGL-OAQYLSRUSA-N 1 0 475.659 2.947 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001296025480 1064085360 /nfs/dbraw/zinc/08/53/60/1064085360.db2.gz ROEUQIGZZLTUJX-SCTDSRPQSA-N 1 0 455.694 2.632 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001296025803 1064085679 /nfs/dbraw/zinc/08/56/79/1064085679.db2.gz VWPXQIAAZBSMTH-VXKWHMMOSA-N 1 0 460.667 2.893 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2c(F)cccc2Cl)C1 ZINC001296032840 1064090166 /nfs/dbraw/zinc/09/01/66/1064090166.db2.gz FLJKQFVXUFMHMN-LSDHHAIUSA-N 1 0 473.018 2.659 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296032961 1064090491 /nfs/dbraw/zinc/09/04/91/1064090491.db2.gz GVQUNUOHQNREEH-LVCYWYKZSA-N 1 0 479.622 2.912 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296032959 1064090588 /nfs/dbraw/zinc/09/05/88/1064090588.db2.gz GVQUNUOHQNREEH-BBTUJRGHSA-N 1 0 479.622 2.912 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCNC(=O)C(C)C)C1 ZINC001296033003 1064091028 /nfs/dbraw/zinc/09/10/28/1064091028.db2.gz HPGARKIGKSCBTD-FQEVSTJZSA-N 1 0 469.634 2.697 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033075 1064091400 /nfs/dbraw/zinc/09/14/00/1064091400.db2.gz JBSVFMMPUJHFDC-HSALFYBXSA-N 1 0 480.654 2.790 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296034432 1064093163 /nfs/dbraw/zinc/09/31/63/1064093163.db2.gz VCPZPTKLYHIGRO-NHCUHLMSSA-N 1 0 469.634 2.838 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001296034684 1064093399 /nfs/dbraw/zinc/09/33/99/1064093399.db2.gz WXKZFGFHKZXSAH-ZWOKBUDYSA-N 1 0 465.595 2.522 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)CCc2cnccn2)C1 ZINC001296034946 1064093592 /nfs/dbraw/zinc/09/35/92/1064093592.db2.gz ZWAKDDHSHZJZCI-LJQANCHMSA-N 1 0 483.020 2.672 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296036390 1064095847 /nfs/dbraw/zinc/09/58/47/1064095847.db2.gz JDODVVCTGBGAGT-LJQANCHMSA-N 1 0 486.617 2.971 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)C1 ZINC001296036471 1064096110 /nfs/dbraw/zinc/09/61/10/1064096110.db2.gz KKILAFNIVOTFJN-WOJBJXKFSA-N 1 0 484.645 2.997 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCN(CCOC)CC2)C1 ZINC001296036838 1064096485 /nfs/dbraw/zinc/09/64/85/1064096485.db2.gz MOJKCFMRGSNRCJ-KRWDZBQOSA-N 1 0 495.441 2.957 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001291571181 1064097640 /nfs/dbraw/zinc/09/76/40/1064097640.db2.gz QYVHIYNZBGVCQV-IBGZPJMESA-N 1 0 451.623 2.747 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(OC)cc3)C(=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291571260 1064097953 /nfs/dbraw/zinc/09/79/53/1064097953.db2.gz RKLNIJNGWFJQDQ-OAQYLSRUSA-N 1 0 498.672 2.886 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCCc1ccccc1 ZINC001291572715 1064099069 /nfs/dbraw/zinc/09/90/69/1064099069.db2.gz NZBMVGFBNBXPGH-GMAHTHKFSA-N 1 0 468.646 2.699 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@H](COC)O[C@@H](C)C2)C1 ZINC001296039730 1064099307 /nfs/dbraw/zinc/09/93/07/1064099307.db2.gz STOGGNORJHJZEA-CMKODMSKSA-N 1 0 459.591 2.544 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291576897 1064100290 /nfs/dbraw/zinc/10/02/90/1064100290.db2.gz CNRPKCXIAXFIJS-UGKGYDQZSA-N 1 0 472.609 2.740 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1cc(F)cc(OC)c1 ZINC001291578186 1064102523 /nfs/dbraw/zinc/10/25/23/1064102523.db2.gz CHSWLAKSHHGKLQ-LAUBAEHRSA-N 1 0 458.582 2.730 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001291577755 1064102560 /nfs/dbraw/zinc/10/25/60/1064102560.db2.gz JPGSIHKERXIGCG-GMAHTHKFSA-N 1 0 495.672 2.674 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N(CCNC(C)=O)Cc2ccsc2)C1 ZINC001296043718 1064102686 /nfs/dbraw/zinc/10/26/86/1064102686.db2.gz XLVKHXKQZQVTAL-LJQANCHMSA-N 1 0 455.632 2.830 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCc1ccc(OC)c(F)c1 ZINC001291578229 1064103221 /nfs/dbraw/zinc/10/32/21/1064103221.db2.gz CNOFNSPRICAOEQ-GHTZIAJQSA-N 1 0 472.609 2.925 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296043883 1064103225 /nfs/dbraw/zinc/10/32/25/1064103225.db2.gz AXYZRVYUQMMBDV-ZCNNSNEGSA-N 1 0 462.639 2.960 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CC[C@@H](C(=O)OC)C2)C1 ZINC001296044706 1064104155 /nfs/dbraw/zinc/10/41/55/1064104155.db2.gz FRLBMEDNHNRROJ-SLFFLAALSA-N 1 0 490.649 2.734 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC001296045673 1064106192 /nfs/dbraw/zinc/10/61/92/1064106192.db2.gz LIEFXWJDVAMFAL-BJLQDIEVSA-N 1 0 461.632 2.725 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)OCC(C)C)CC2)C1 ZINC001296048270 1064107473 /nfs/dbraw/zinc/10/74/73/1064107473.db2.gz BOAIKWHDGQJJKU-NRFANRHFSA-N 1 0 455.607 2.520 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291580819 1064109998 /nfs/dbraw/zinc/10/99/98/1064109998.db2.gz UVBOINOIVKRZPI-UUOWRZLLSA-N 1 0 472.659 2.897 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291580817 1064110001 /nfs/dbraw/zinc/11/00/01/1064110001.db2.gz UVBOINOIVKRZPI-KOSHJBKYSA-N 1 0 472.659 2.897 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001291581188 1064110810 /nfs/dbraw/zinc/11/08/10/1064110810.db2.gz CALVRSKZVKKDGU-FQEVSTJZSA-N 1 0 486.636 2.933 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 ZINC001296050783 1064110891 /nfs/dbraw/zinc/11/08/91/1064110891.db2.gz VDVVWOOBUYXWAR-AEFFLSMTSA-N 1 0 482.526 2.855 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3OC)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296051395 1064111365 /nfs/dbraw/zinc/11/13/65/1064111365.db2.gz FAKLIKYSJZSMGH-FQEVSTJZSA-N 1 0 470.618 2.512 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N2CCO[C@H](COC)C2)C1 ZINC001296051525 1064111833 /nfs/dbraw/zinc/11/18/33/1064111833.db2.gz GMZLKVDKDAZUQK-XLIONFOSSA-N 1 0 494.434 2.813 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3OC)nnc2N2CCC(N(C)C(C)=O)CC2)C1 ZINC001296051796 1064112394 /nfs/dbraw/zinc/11/23/94/1064112394.db2.gz KAWKBZFHMFUBJB-HXUWFJFHSA-N 1 0 470.618 2.655 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051833 1064112482 /nfs/dbraw/zinc/11/24/82/1064112482.db2.gz KKJSWRTXDFJYPM-GHTZIAJQSA-N 1 0 479.622 2.742 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296051941 1064113031 /nfs/dbraw/zinc/11/30/31/1064113031.db2.gz LMBYFSZSWAZKTB-PZJWPPBQSA-N 1 0 461.632 2.521 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001291582212 1064113623 /nfs/dbraw/zinc/11/36/23/1064113623.db2.gz ZMGNLDVDFJSFIW-NZQKXSOJSA-N 1 0 468.646 2.711 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001296055220 1064116723 /nfs/dbraw/zinc/11/67/23/1064116723.db2.gz FJHLQFRYVZTOCB-QZTJIDSGSA-N 1 0 484.605 2.513 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001296056313 1064117270 /nfs/dbraw/zinc/11/72/70/1064117270.db2.gz KJNYNQLPHLAOPK-FGZHOGPDSA-N 1 0 472.609 2.990 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CNC(C)=O)CC2)C1 ZINC001296056793 1064118211 /nfs/dbraw/zinc/11/82/11/1064118211.db2.gz OZZFVDXBPPNUOM-BHDDXSALSA-N 1 0 460.667 2.891 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296057146 1064118559 /nfs/dbraw/zinc/11/85/59/1064118559.db2.gz RWVRQRZKSVAPEZ-RBUKOAKNSA-N 1 0 477.654 2.642 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001296057439 1064119541 /nfs/dbraw/zinc/11/95/41/1064119541.db2.gz YFXQOCKEKIQNBI-MISYRCLQSA-N 1 0 467.680 2.552 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(N3C[C@H](C)O[C@H](C(F)(F)F)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001296057473 1064119675 /nfs/dbraw/zinc/11/96/75/1064119675.db2.gz YXZFAVDQDXPPKC-NTLWEQJWSA-N 1 0 475.556 2.817 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)cs2)C1 ZINC001296058704 1064120696 /nfs/dbraw/zinc/12/06/96/1064120696.db2.gz CGYWKYXXLIWTQI-RCCFBDPRSA-N 1 0 481.692 2.522 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001291589330 1064121067 /nfs/dbraw/zinc/12/10/67/1064121067.db2.gz GMOUDAOCPJEIOI-WOJBJXKFSA-N 1 0 463.671 2.779 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296058948 1064121477 /nfs/dbraw/zinc/12/14/77/1064121477.db2.gz FTBLOZSFCZVKEG-YTQUADARSA-N 1 0 451.518 2.881 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001296059154 1064121828 /nfs/dbraw/zinc/12/18/28/1064121828.db2.gz BAKMMQUGBXWLPH-SJORKVTESA-N 1 0 461.408 2.812 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCCO1 ZINC001296059309 1064122231 /nfs/dbraw/zinc/12/22/31/1064122231.db2.gz CCSNETCKMRPYAS-VQTJNVASSA-N 1 0 461.632 2.838 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001296059740 1064123078 /nfs/dbraw/zinc/12/30/78/1064123078.db2.gz JFPRNFKTGSLGOZ-QGZVFWFLSA-N 1 0 485.029 2.694 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291590773 1064125114 /nfs/dbraw/zinc/12/51/14/1064125114.db2.gz UKBPRRWTMUSNAQ-NHCUHLMSSA-N 1 0 461.655 2.630 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291592311 1064127404 /nfs/dbraw/zinc/12/74/04/1064127404.db2.gz LMSWDYIPZHQJOT-NHCUHLMSSA-N 1 0 491.681 2.649 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291592310 1064127434 /nfs/dbraw/zinc/12/74/34/1064127434.db2.gz LMSWDYIPZHQJOT-LEWJYISDSA-N 1 0 491.681 2.649 20 0 JFADRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(CCOC)CC1 ZINC001296062601 1064128221 /nfs/dbraw/zinc/12/82/21/1064128221.db2.gz SEETYHGKKUVGNW-IBGZPJMESA-N 1 0 464.561 2.799 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001296063448 1064129584 /nfs/dbraw/zinc/12/95/84/1064129584.db2.gz WGBRLSMEOYVBHO-NLWGTHIKSA-N 1 0 494.637 2.512 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291593444 1064129580 /nfs/dbraw/zinc/12/95/80/1064129580.db2.gz QLNMCRKLRYDOEM-ZDXQCDESSA-N 1 0 497.688 2.641 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1CCC[NH+]1CCCC1 ZINC001291594129 1064130399 /nfs/dbraw/zinc/13/03/99/1064130399.db2.gz GLRUFJVZRHFUJV-SFTDATJTSA-N 1 0 459.683 2.847 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CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001291632249 1064179692 /nfs/dbraw/zinc/17/96/92/1064179692.db2.gz LQWZPZVHGZWPGW-FYYLOGMGSA-N 1 0 467.662 2.572 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC[N@H+]2CC=CCC2)CC1=O ZINC001296103790 1064182274 /nfs/dbraw/zinc/18/22/74/1064182274.db2.gz XONBIKYKAKVCMU-UHFFFAOYSA-N 1 0 460.529 2.867 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001291638076 1064185152 /nfs/dbraw/zinc/18/51/52/1064185152.db2.gz FDEVAPASJDTNEQ-HXUWFJFHSA-N 1 0 460.667 2.989 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001291637699 1064185171 /nfs/dbraw/zinc/18/51/71/1064185171.db2.gz BRBBHICQGQNWAE-ICSRJNTNSA-N 1 0 488.599 2.603 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(Cc3cscn3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291639039 1064186928 /nfs/dbraw/zinc/18/69/28/1064186928.db2.gz OVGAZYWHTOASTP-FPOVZHCZSA-N 1 0 488.706 2.513 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640261 1064188451 /nfs/dbraw/zinc/18/84/51/1064188451.db2.gz QSCDNXQVLADJOF-FCHUYYIVSA-N 1 0 462.683 2.840 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001291640264 1064188481 /nfs/dbraw/zinc/18/84/81/1064188481.db2.gz QSCDNXQVLADJOF-VXKWHMMOSA-N 1 0 462.683 2.840 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC001296110514 1064188955 /nfs/dbraw/zinc/18/89/55/1064188955.db2.gz MVRPDHCMRUERQE-PMACEKPBSA-N 1 0 486.636 2.954 20 0 JFADRO CC[NH+](CC)CCOc1ccccc1CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)C[C@H](C)C2)C1=O ZINC001291640483 1064190086 /nfs/dbraw/zinc/19/00/86/1064190086.db2.gz FMCKWCAQLXVXFS-HBNMSFMJSA-N 1 0 458.603 2.770 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291641551 1064190949 /nfs/dbraw/zinc/19/09/49/1064190949.db2.gz CVUBNDXLAILVIX-KRWDZBQOSA-N 1 0 453.616 2.760 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCNC(=O)c1ccco1 ZINC001291641959 1064191790 /nfs/dbraw/zinc/19/17/90/1064191790.db2.gz GYYWALHHGGQKEJ-PWRODBHTSA-N 1 0 471.650 2.809 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001291643400 1064194646 /nfs/dbraw/zinc/19/46/46/1064194646.db2.gz OPLLMMQJIQCFAE-PWRODBHTSA-N 1 0 480.723 2.754 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001291643548 1064195171 /nfs/dbraw/zinc/19/51/71/1064195171.db2.gz JLEBEPGSMWRTHO-FQEVSTJZSA-N 1 0 474.675 2.907 20 0 JFADRO CCN1CCCN(c2nnc(CCc3ccc(OC)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001296116141 1064195895 /nfs/dbraw/zinc/19/58/95/1064195895.db2.gz AJEYTTINADYWIW-HXUWFJFHSA-N 1 0 454.619 2.615 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001291643902 1064196464 /nfs/dbraw/zinc/19/64/64/1064196464.db2.gz MABMNHDHBGAFPL-CEXWTWQISA-N 1 0 466.652 2.938 20 0 JFADRO CCN1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCCC2)CC1=O ZINC001296116891 1064197298 /nfs/dbraw/zinc/19/72/98/1064197298.db2.gz IQXUTPOTWNKNMQ-NRFANRHFSA-N 1 0 454.619 2.956 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001296118535 1064201088 /nfs/dbraw/zinc/20/10/88/1064201088.db2.gz DMRMYYRHRASQNO-FQEVSTJZSA-N 1 0 471.625 2.624 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC001296118738 1064201855 /nfs/dbraw/zinc/20/18/55/1064201855.db2.gz IYXTZONRVMUMEQ-VXKWHMMOSA-N 1 0 473.710 2.725 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2Cc3ccoc3CC(C)(C)C2)CC1 ZINC001296119840 1064206293 /nfs/dbraw/zinc/20/62/93/1064206293.db2.gz BOLSWVUTQWRHMP-LJQANCHMSA-N 1 0 471.650 2.624 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296120122 1064208243 /nfs/dbraw/zinc/20/82/43/1064208243.db2.gz FEBMFLLGEFBZDT-QGZVFWFLSA-N 1 0 494.482 2.925 20 0 JFADRO CCN1CCCN(c2nnc(COc3ccccc3OC)n2CCC[NH+]2CCCCC2)CC1=O ZINC001296120455 1064209854 /nfs/dbraw/zinc/20/98/54/1064209854.db2.gz QEEGSMHBRSWLKK-UHFFFAOYSA-N 1 0 470.618 2.800 20 0 JFADRO CCN1CCCN(c2nnc(CSc3ccccc3OC)n2CC[N@H+](C)C(C)C)CC1=O ZINC001296120826 1064210917 /nfs/dbraw/zinc/21/09/17/1064210917.db2.gz UDIRKMOSJFDJQL-UHFFFAOYSA-N 1 0 460.648 2.978 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296121197 1064211820 /nfs/dbraw/zinc/21/18/20/1064211820.db2.gz NBSKBDSOPWGFOO-XOYNAWAESA-N 1 0 497.688 2.863 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001296121254 1064212254 /nfs/dbraw/zinc/21/22/54/1064212254.db2.gz NJHDGHNBSWDBPY-HSALFYBXSA-N 1 0 454.623 2.576 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296121815 1064213634 /nfs/dbraw/zinc/21/36/34/1064213634.db2.gz QZKHCZKBFCCQOI-FDFHNCONSA-N 1 0 483.661 2.787 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001291672344 1064213982 /nfs/dbraw/zinc/21/39/82/1064213982.db2.gz QCEZFUGHMUQADB-LEWJYISDSA-N 1 0 493.697 2.549 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296122308 1064214522 /nfs/dbraw/zinc/21/45/22/1064214522.db2.gz VMWFNQNCXCPLKO-JBPLPALLSA-N 1 0 474.625 2.790 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124157 1064216588 /nfs/dbraw/zinc/21/65/88/1064216588.db2.gz FRBGFPTUDYEOBB-QGZVFWFLSA-N 1 0 492.043 2.726 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001296124452 1064217005 /nfs/dbraw/zinc/21/70/05/1064217005.db2.gz HLFGKTCPLZKQHB-FQEVSTJZSA-N 1 0 481.645 2.963 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124422 1064217043 /nfs/dbraw/zinc/21/70/43/1064217043.db2.gz HDFASARDUXAAPG-SFHVURJKSA-N 1 0 492.068 2.594 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296124846 1064217549 /nfs/dbraw/zinc/21/75/49/1064217549.db2.gz JWZSWEDJZCBPBG-GOSISDBHSA-N 1 0 474.053 2.587 20 0 JFADRO CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001291686900 1064217796 /nfs/dbraw/zinc/21/77/96/1064217796.db2.gz VIMBCEASXXZTBH-XMMPIXPASA-N 1 0 457.663 2.778 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296125203 1064218236 /nfs/dbraw/zinc/21/82/36/1064218236.db2.gz LIGBTGHDQMYMOH-SFHVURJKSA-N 1 0 462.042 2.587 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001296125180 1064218382 /nfs/dbraw/zinc/21/83/82/1064218382.db2.gz LDWIREGLSNHEEC-ROUUACIJSA-N 1 0 463.026 2.858 20 0 JFADRO CC[C@@H](C)c1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[NH+]1CCCC1 ZINC001291692156 1064218711 /nfs/dbraw/zinc/21/87/11/1064218711.db2.gz DLYRRLGZKSRCSO-GUDVDZBRSA-N 1 0 478.638 2.638 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CC[C@H](OCCOC)C2)CC1 ZINC001296125560 1064219127 /nfs/dbraw/zinc/21/91/27/1064219127.db2.gz MSTKVHZNGKERFY-KNQAVFIVSA-N 1 0 477.053 2.866 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296126025 1064219578 /nfs/dbraw/zinc/21/95/78/1064219578.db2.gz OQXWXVGXPSJGIJ-ZWKOTPCHSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001296125580 1064219662 /nfs/dbraw/zinc/21/96/62/1064219662.db2.gz MYBIKTKXAZAAOL-SFHVURJKSA-N 1 0 474.053 2.587 20 0 JFADRO CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001291695984 1064220091 /nfs/dbraw/zinc/22/00/91/1064220091.db2.gz NITJOVYAJLSUQX-HFZDXXHNSA-N 1 0 472.630 2.731 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC001296126849 1064220761 /nfs/dbraw/zinc/22/07/61/1064220761.db2.gz RYJIXMIUSMDOAF-MZKRTTBSSA-N 1 0 456.635 2.841 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296127359 1064221693 /nfs/dbraw/zinc/22/16/93/1064221693.db2.gz UXZYBVLBDKKSBI-DCFHFQCYSA-N 1 0 481.689 2.970 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291704665 1064222337 /nfs/dbraw/zinc/22/23/37/1064222337.db2.gz OBVFUTSISIODEQ-LJQANCHMSA-N 1 0 476.691 2.857 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001291707573 1064223152 /nfs/dbraw/zinc/22/31/52/1064223152.db2.gz ZBHOGHRFNORFGV-KNQAVFIVSA-N 1 0 467.622 2.760 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001291707572 1064223201 /nfs/dbraw/zinc/22/32/01/1064223201.db2.gz ZBHOGHRFNORFGV-DENIHFKCSA-N 1 0 467.622 2.760 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCSCC1 ZINC001291706076 1064223232 /nfs/dbraw/zinc/22/32/32/1064223232.db2.gz YSNMPKFMPCKVBD-SFHVURJKSA-N 1 0 480.704 2.727 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)CCc2ccccc2OC)CC1 ZINC001296129849 1064223149 /nfs/dbraw/zinc/22/31/49/1064223149.db2.gz BWUFLCTXADHCBB-FQEVSTJZSA-N 1 0 451.619 2.987 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001291713367 1064224199 /nfs/dbraw/zinc/22/41/99/1064224199.db2.gz HHNPJPGFYVLYBZ-MOPGFXCFSA-N 1 0 477.679 2.689 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296130785 1064224187 /nfs/dbraw/zinc/22/41/87/1064224187.db2.gz FVWILAQCGXLBPA-ACRUOGEOSA-N 1 0 491.681 2.649 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296131768 1064226839 /nfs/dbraw/zinc/22/68/39/1064226839.db2.gz MYXJNUWHZLZCOE-LJQANCHMSA-N 1 0 473.632 2.967 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296131753 1064226902 /nfs/dbraw/zinc/22/69/02/1064226902.db2.gz MVRRXGZOIZGCRM-CLOONOSVSA-N 1 0 488.080 2.511 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296131798 1064226951 /nfs/dbraw/zinc/22/69/51/1064226951.db2.gz NKZGRKZVXNHHRN-ICSRJNTNSA-N 1 0 461.680 2.523 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291720398 1064227444 /nfs/dbraw/zinc/22/74/44/1064227444.db2.gz OOPVOQOKNUHFLY-BURNTYAHSA-N 1 0 498.738 2.850 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296132029 1064227862 /nfs/dbraw/zinc/22/78/62/1064227862.db2.gz QCNAZZJVARMFKQ-FXAWDEMLSA-N 1 0 484.542 2.802 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296132039 1064228487 /nfs/dbraw/zinc/22/84/87/1064228487.db2.gz QGAYBGIDIMMISS-NRFANRHFSA-N 1 0 475.632 2.590 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296132718 1064231717 /nfs/dbraw/zinc/23/17/17/1064231717.db2.gz VJQQNNYHRYXTOU-OAQYLSRUSA-N 1 0 463.630 2.935 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296132871 1064232160 /nfs/dbraw/zinc/23/21/60/1064232160.db2.gz XDFYJIYBJAKCGP-GUDVDZBRSA-N 1 0 462.589 2.787 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132929 1064232257 /nfs/dbraw/zinc/23/22/57/1064232257.db2.gz FABSAUUGUYIILX-VSKRKVRLSA-N 1 0 456.635 2.805 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001296132931 1064232277 /nfs/dbraw/zinc/23/22/77/1064232277.db2.gz FABSAUUGUYIILX-YPAWHYETSA-N 1 0 456.635 2.805 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001296133233 1064233213 /nfs/dbraw/zinc/23/32/13/1064233213.db2.gz HNYIPSJOPUQLFA-NRFANRHFSA-N 1 0 499.729 2.997 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N(C)Cc3ccc(S(C)(=O)=O)cc3)nnc2C(C)(C)C)CC1 ZINC001296133610 1064234307 /nfs/dbraw/zinc/23/43/07/1064234307.db2.gz JRIRCMOFBUVZOW-LJQANCHMSA-N 1 0 476.691 2.642 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296134431 1064236260 /nfs/dbraw/zinc/23/62/60/1064236260.db2.gz OZZDUPWEXLIORH-YADHBBJMSA-N 1 0 470.662 2.929 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC001291754364 1064236289 /nfs/dbraw/zinc/23/62/89/1064236289.db2.gz SJEUPTAMZGRXNF-NHCUHLMSSA-N 1 0 487.693 2.719 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296134762 1064236656 /nfs/dbraw/zinc/23/66/56/1064236656.db2.gz PYSORDIYKBXUBZ-AWEZNQCLSA-N 1 0 462.400 2.539 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296134836 1064237635 /nfs/dbraw/zinc/23/76/35/1064237635.db2.gz RBRVIKUABMAZCE-QFQXNSOFSA-N 1 0 486.661 2.897 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296134983 1064237948 /nfs/dbraw/zinc/23/79/48/1064237948.db2.gz UGMUWDRCBQDADX-UXHICEINSA-N 1 0 474.675 2.830 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296135206 1064238827 /nfs/dbraw/zinc/23/88/27/1064238827.db2.gz XFPJHMAXPBXRBQ-NRFANRHFSA-N 1 0 484.645 2.581 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759343 1064239211 /nfs/dbraw/zinc/23/92/11/1064239211.db2.gz FWAGKNQZKVCXDG-IAGOWNOFSA-N 1 0 466.627 2.629 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001291759663 1064239647 /nfs/dbraw/zinc/23/96/47/1064239647.db2.gz HKLMRMIFYQWSDD-QZTJIDSGSA-N 1 0 488.633 2.758 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(F)cc(C)c2C1 ZINC001291759345 1064239675 /nfs/dbraw/zinc/23/96/75/1064239675.db2.gz FWAGKNQZKVCXDG-SJORKVTESA-N 1 0 466.627 2.629 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759745 1064240453 /nfs/dbraw/zinc/24/04/53/1064240453.db2.gz JXGUBZUPLMHAQO-CEXWTWQISA-N 1 0 496.653 2.758 20 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CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001291763923 1064244818 /nfs/dbraw/zinc/24/48/18/1064244818.db2.gz YPHNZRGOUCKJLU-XLIONFOSSA-N 1 0 458.607 2.798 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CC)C(=O)C1 ZINC001291764429 1064245056 /nfs/dbraw/zinc/24/50/56/1064245056.db2.gz CUZIGGQKSPMLMC-GOSISDBHSA-N 1 0 458.607 2.751 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(C)nnc3N3CCC[C@H](NC(=O)OC(C)(C)C)C3)cn2)CC1 ZINC001296138394 1064245106 /nfs/dbraw/zinc/24/51/06/1064245106.db2.gz WFMANDTWDUWPCW-NRFANRHFSA-N 1 0 484.649 2.665 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2cccc(C)c2)CC1 ZINC001296138861 1064245627 /nfs/dbraw/zinc/24/56/27/1064245627.db2.gz YEIZTSGEVQHCKE-NHTMILBNSA-N 1 0 470.662 2.973 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001291765273 1064245714 /nfs/dbraw/zinc/24/57/14/1064245714.db2.gz JYIUPXSTZROACK-HNNXBMFYSA-N 1 0 455.028 2.737 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001296138878 1064245774 /nfs/dbraw/zinc/24/57/74/1064245774.db2.gz YJSKNPWVUOKRSG-RBUKOAKNSA-N 1 0 477.654 2.548 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296139036 1064246033 /nfs/dbraw/zinc/24/60/33/1064246033.db2.gz ZTTSGQTVQJXNTQ-MLNNCEHLSA-N 1 0 480.723 2.606 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001291765722 1064247156 /nfs/dbraw/zinc/24/71/56/1064247156.db2.gz PPDAEYZOSXEJAL-MRXNPFEDSA-N 1 0 455.994 2.985 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CC)C(=O)C1 ZINC001291766437 1064248076 /nfs/dbraw/zinc/24/80/76/1064248076.db2.gz DCUAMUIUKMHEBC-GOSISDBHSA-N 1 0 456.591 2.505 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291766689 1064248101 /nfs/dbraw/zinc/24/81/01/1064248101.db2.gz FKKFSJHQPUTEKV-HKUYNNGSSA-N 1 0 477.631 2.808 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@H]1C ZINC001296142003 1064248555 /nfs/dbraw/zinc/24/85/55/1064248555.db2.gz HKDUTUYRQQZULP-QGZVFWFLSA-N 1 0 482.585 2.953 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001291768516 1064250667 /nfs/dbraw/zinc/25/06/67/1064250667.db2.gz XAVPFOWRLAXUNZ-VQTJNVASSA-N 1 0 499.685 2.989 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001291768514 1064250721 /nfs/dbraw/zinc/25/07/21/1064250721.db2.gz XAVPFOWRLAXUNZ-PMACEKPBSA-N 1 0 499.685 2.989 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)C[C@H]1C ZINC001296142731 1064251083 /nfs/dbraw/zinc/25/10/83/1064251083.db2.gz MSSOYWCCVZAHSB-PXDATVDWSA-N 1 0 476.666 2.642 20 0 JFADRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001291769520 1064251902 /nfs/dbraw/zinc/25/19/02/1064251902.db2.gz YBQSFGTUDFWSCH-SFHVURJKSA-N 1 0 456.978 2.519 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001291770934 1064252208 /nfs/dbraw/zinc/25/22/08/1064252208.db2.gz AUGZYBGZZWLNKR-QFIPXVFZSA-N 1 0 496.704 2.950 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC001296143407 1064252342 /nfs/dbraw/zinc/25/23/42/1064252342.db2.gz PZMXAPBEEVPJDN-MOPGFXCFSA-N 1 0 459.591 2.546 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2csc(C)n2)C[C@@H]1C ZINC001296144556 1064253902 /nfs/dbraw/zinc/25/39/02/1064253902.db2.gz ANQDBHQADMXCTR-INIZCTEOSA-N 1 0 474.656 2.887 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC(C)(OC)C1 ZINC001291771925 1064254670 /nfs/dbraw/zinc/25/46/70/1064254670.db2.gz KOVXRRULQSTIIX-KRWDZBQOSA-N 1 0 453.591 2.630 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001296145084 1064254800 /nfs/dbraw/zinc/25/48/00/1064254800.db2.gz CXTBWBCBTLZXBU-WMZOPIPTSA-N 1 0 464.408 2.962 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@H]2COCCO2)C[C@H]1C ZINC001296145078 1064254940 /nfs/dbraw/zinc/25/49/40/1064254940.db2.gz CXTBWBCBTLZXBU-AEFFLSMTSA-N 1 0 464.408 2.962 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 ZINC001291772432 1064255806 /nfs/dbraw/zinc/25/58/06/1064255806.db2.gz QWXFDMKJXUVUOK-MRXNPFEDSA-N 1 0 457.652 2.809 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001291773413 1064258389 /nfs/dbraw/zinc/25/83/89/1064258389.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 1 0 488.702 2.623 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001296147714 1064258828 /nfs/dbraw/zinc/25/88/28/1064258828.db2.gz QLUDSDNUVFUNTR-QWHCGFSZSA-N 1 0 453.410 2.578 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001291773675 1064259332 /nfs/dbraw/zinc/25/93/32/1064259332.db2.gz ISYYWSUNWBNFCZ-GBESFXJTSA-N 1 0 461.611 2.987 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001291773679 1064259395 /nfs/dbraw/zinc/25/93/95/1064259395.db2.gz ISYYWSUNWBNFCZ-OTWHNJEPSA-N 1 0 461.611 2.987 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001296148327 1064259797 /nfs/dbraw/zinc/25/97/97/1064259797.db2.gz VTRCKDVDQBXHEN-VCOUNFBDSA-N 1 0 490.674 2.541 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C)OC(C)(C)C1 ZINC001291773678 1064259883 /nfs/dbraw/zinc/25/98/83/1064259883.db2.gz VLWZQSKBPBOHOU-MSOLQXFVSA-N 1 0 477.679 2.972 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc3ccc(F)cc3c2C)C[C@@H]1C ZINC001296148539 1064260227 /nfs/dbraw/zinc/26/02/27/1064260227.db2.gz XRHIRNZGLFXGEQ-HOCLYGCPSA-N 1 0 478.594 2.661 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](Cc2ccccc2)OC)C[C@H]1C ZINC001296148542 1064260300 /nfs/dbraw/zinc/26/03/00/1064260300.db2.gz XSGFMQCRQDQUSR-CTNGQTDRSA-N 1 0 463.586 2.714 20 0 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CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](Cc3ccc(F)cc3)C(N)=O)C2)CC1 ZINC001296180607 1064312375 /nfs/dbraw/zinc/31/23/75/1064312375.db2.gz OOZKSBQGHSORGB-FYYLOGMGSA-N 1 0 499.679 2.566 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(OC)cc4)n3CCOC(C)(C)C)C2)CC1 ZINC001296181255 1064314101 /nfs/dbraw/zinc/31/41/01/1064314101.db2.gz WBTSIDIXSJPCDN-NRFANRHFSA-N 1 0 456.635 2.985 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccccc4Cl)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001296181156 1064314194 /nfs/dbraw/zinc/31/41/94/1064314194.db2.gz SRIMJVKKTPDHBO-DVECYGJZSA-N 1 0 477.053 2.602 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCN(C)CC(F)(F)F)C2)CC1 ZINC001296181319 1064314912 /nfs/dbraw/zinc/31/49/12/1064314912.db2.gz VRMHWIJMTMTPSY-IBGZPJMESA-N 1 0 457.589 2.646 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181550 1064316112 /nfs/dbraw/zinc/31/61/12/1064316112.db2.gz XIENCHBQHALDBV-FQEVSTJZSA-N 1 0 461.655 2.677 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001291804198 1064319904 /nfs/dbraw/zinc/31/99/04/1064319904.db2.gz OYGUDMABZGPUSN-VQTJNVASSA-N 1 0 484.645 2.948 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CCNC(=O)c3ccc(C)c(F)c3)C2)CC1 ZINC001296182120 1064321293 /nfs/dbraw/zinc/32/12/93/1064321293.db2.gz NAOUSWZJWCEHFH-QFIPXVFZSA-N 1 0 485.652 2.570 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001296182146 1064321329 /nfs/dbraw/zinc/32/13/29/1064321329.db2.gz NSQDOWUAMBADPB-DEOSSOPVSA-N 1 0 495.716 2.832 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001296182398 1064323149 /nfs/dbraw/zinc/32/31/49/1064323149.db2.gz RWJWZLSOFBSONV-OTWHNJEPSA-N 1 0 488.599 2.807 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296182596 1064323917 /nfs/dbraw/zinc/32/39/17/1064323917.db2.gz UYIXTYHISNISGJ-LJQANCHMSA-N 1 0 473.691 2.794 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001296182936 1064326161 /nfs/dbraw/zinc/32/61/61/1064326161.db2.gz BFIKBKOQHJUOCH-OAQYLSRUSA-N 1 0 487.693 2.667 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001291806046 1064326410 /nfs/dbraw/zinc/32/64/10/1064326410.db2.gz YRFAFVDLSVZWDT-RCCFBDPRSA-N 1 0 456.591 2.898 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001296183021 1064326908 /nfs/dbraw/zinc/32/69/08/1064326908.db2.gz YDWFZSWMPAITMC-OAQYLSRUSA-N 1 0 456.635 2.758 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183809 1064329774 /nfs/dbraw/zinc/32/97/74/1064329774.db2.gz GHZRGAXCAGADIE-WOJBJXKFSA-N 1 0 477.698 2.990 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001296183814 1064329842 /nfs/dbraw/zinc/32/98/42/1064329842.db2.gz GNFSTACYUYTVSP-NFBKMPQASA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001296184318 1064331660 /nfs/dbraw/zinc/33/16/60/1064331660.db2.gz JOQPBPRIHJHELC-XUVXKRRUSA-N 1 0 486.690 2.529 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)OCC(C)C)CC2)CC1 ZINC001296184423 1064331682 /nfs/dbraw/zinc/33/16/82/1064331682.db2.gz KWENHIQGXBWDPM-QFIPXVFZSA-N 1 0 477.698 2.980 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(C3CCCCC3)C(=O)C2)CC1 ZINC001296184909 1064332321 /nfs/dbraw/zinc/33/23/21/1064332321.db2.gz MXVNBEQDBCJVFV-NRFANRHFSA-N 1 0 459.683 2.656 20 0 JFADRO CCN(CC1CCN(c2ccccn2)CC1)c1nnc(C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001296185685 1064333526 /nfs/dbraw/zinc/33/35/26/1064333526.db2.gz QOOWRQGRHJHPMV-JOCHJYFZSA-N 1 0 468.694 2.998 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001296186054 1064334425 /nfs/dbraw/zinc/33/44/25/1064334425.db2.gz SXSFECROQFZXAL-GOSISDBHSA-N 1 0 489.615 2.531 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001296190052 1064337037 /nfs/dbraw/zinc/33/70/37/1064337037.db2.gz BHZFOPVYDKCCGU-NHCUHLMSSA-N 1 0 488.681 2.835 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001296190361 1064337700 /nfs/dbraw/zinc/33/77/00/1064337700.db2.gz CMLJVJLUJTYQJV-NRFANRHFSA-N 1 0 487.718 2.509 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2F)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291812495 1064339671 /nfs/dbraw/zinc/33/96/71/1064339671.db2.gz QLCUKITUJAVNNT-RBUKOAKNSA-N 1 0 458.582 2.690 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001291812911 1064340366 /nfs/dbraw/zinc/34/03/66/1064340366.db2.gz RRUSTPBFUHQEBQ-HXUWFJFHSA-N 1 0 484.645 2.807 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296190978 1064341052 /nfs/dbraw/zinc/34/10/52/1064341052.db2.gz GYCWLNKRAUZNPQ-SFHVURJKSA-N 1 0 485.706 2.586 20 0 JFADRO CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC001291814377 1064342779 /nfs/dbraw/zinc/34/27/79/1064342779.db2.gz IAPXPSBGIJVQRF-RTWAWAEBSA-N 1 0 451.633 2.933 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001291814998 1064343369 /nfs/dbraw/zinc/34/33/69/1064343369.db2.gz BIQRQUIISQKQCR-VQTJNVASSA-N 1 0 453.635 2.879 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001291815614 1064344710 /nfs/dbraw/zinc/34/47/10/1064344710.db2.gz ABCSETFBYPVQFY-FPOVZHCZSA-N 1 0 472.609 2.938 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296192521 1064345400 /nfs/dbraw/zinc/34/54/00/1064345400.db2.gz FVYWOMRLGYJBQU-CJFMBICVSA-N 1 0 455.651 2.927 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001296192774 1064346825 /nfs/dbraw/zinc/34/68/25/1064346825.db2.gz NQPJNKRVJXPNBR-UNMCSNQZSA-N 1 0 456.635 2.701 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C2)CC1 ZINC001296192807 1064347488 /nfs/dbraw/zinc/34/74/88/1064347488.db2.gz GPNLFARUOWHYJW-SFTDATJTSA-N 1 0 456.635 2.986 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(F)(F)C2)CC1 ZINC001296192798 1064347507 /nfs/dbraw/zinc/34/75/07/1064347507.db2.gz NSKNGJDNKUATDF-LJQANCHMSA-N 1 0 462.589 2.997 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001296192901 1064347886 /nfs/dbraw/zinc/34/78/86/1064347886.db2.gz GWEOMNSFJBJSAC-HXKBJWFLSA-N 1 0 462.683 2.902 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296193183 1064348915 /nfs/dbraw/zinc/34/89/15/1064348915.db2.gz HVOVGNZPDRLRSU-VXKWHMMOSA-N 1 0 475.726 2.838 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193352 1064350494 /nfs/dbraw/zinc/35/04/94/1064350494.db2.gz IKEMZKDDJBZGJZ-ICSRJNTNSA-N 1 0 458.655 2.925 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296193699 1064351073 /nfs/dbraw/zinc/35/10/73/1064351073.db2.gz PDROLAUYWKMQQB-MJGOQNOKSA-N 1 0 486.608 2.972 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193710 1064352457 /nfs/dbraw/zinc/35/24/57/1064352457.db2.gz PGBAQTUBISQRTO-OFVILXPXSA-N 1 0 462.683 2.525 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001291818263 1064354032 /nfs/dbraw/zinc/35/40/32/1064354032.db2.gz SLNQBOSANSCABJ-IFMALSPDSA-N 1 0 453.635 2.881 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CC3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296194080 1064354090 /nfs/dbraw/zinc/35/40/90/1064354090.db2.gz LHOBQRRAWKGUCV-ZJOUEHCJSA-N 1 0 475.682 2.779 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194097 1064354151 /nfs/dbraw/zinc/35/41/51/1064354151.db2.gz LMZBKVWWCBWGAG-SFHVURJKSA-N 1 0 495.594 2.905 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001296194436 1064356050 /nfs/dbraw/zinc/35/60/50/1064356050.db2.gz SKIKHCXBMABKOY-AZUAARDMSA-N 1 0 461.680 2.847 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCN(c4nc(C)cs4)CC3)nnc2C(C)(C)C)CC1 ZINC001296194668 1064356713 /nfs/dbraw/zinc/35/67/13/1064356713.db2.gz NDAAMYRUQLKHJF-LJQANCHMSA-N 1 0 474.723 2.941 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296194621 1064356818 /nfs/dbraw/zinc/35/68/18/1064356818.db2.gz MWROTUMZGPJUNH-NHCUHLMSSA-N 1 0 474.625 2.885 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296195190 1064358933 /nfs/dbraw/zinc/35/89/33/1064358933.db2.gz OMGZDGPEEJDBAZ-GOSISDBHSA-N 1 0 456.664 2.959 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296195640 1064359829 /nfs/dbraw/zinc/35/98/29/1064359829.db2.gz PRWHKFYQBJRPTH-IRLDBZIGSA-N 1 0 498.676 2.717 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001296195408 1064360879 /nfs/dbraw/zinc/36/08/79/1064360879.db2.gz JMXURURZRGNQRB-UHFFFAOYSA-N 1 0 467.662 2.730 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)Cc2ccccc2F)CC1 ZINC001296195389 1064360980 /nfs/dbraw/zinc/36/09/80/1064360980.db2.gz JCHAPYGULKWFML-UHFFFAOYSA-N 1 0 452.582 2.928 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](COC)C2)CC1 ZINC001296196040 1064364201 /nfs/dbraw/zinc/36/42/01/1064364201.db2.gz ODSDTKROBXSJKZ-QFIPXVFZSA-N 1 0 477.053 2.868 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195868 1064364266 /nfs/dbraw/zinc/36/42/66/1064364266.db2.gz RIMDIMVJLVGEMM-HFZDXXHNSA-N 1 0 486.709 2.809 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296196096 1064364825 /nfs/dbraw/zinc/36/48/25/1064364825.db2.gz XCZUZDUEXNWSDH-QKNQBKEWSA-N 1 0 495.594 2.694 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001296196118 1064365625 /nfs/dbraw/zinc/36/56/25/1064365625.db2.gz XJFWDYFRSVTDEO-GOSISDBHSA-N 1 0 460.589 2.644 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001296196236 1064365722 /nfs/dbraw/zinc/36/57/22/1064365722.db2.gz YEPXVZCIJUEUBQ-NRFANRHFSA-N 1 0 471.694 2.857 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196366 1064366442 /nfs/dbraw/zinc/36/64/42/1064366442.db2.gz SBIYNAURZJDMHW-DENIHFKCSA-N 1 0 471.698 2.899 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccccc3C)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001296196475 1064367380 /nfs/dbraw/zinc/36/73/80/1064367380.db2.gz PKDXHKFQSNZBGR-SANMLTNESA-N 1 0 467.662 2.634 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001296196944 1064371269 /nfs/dbraw/zinc/37/12/69/1064371269.db2.gz WWSICMZKMBFTDW-JTAQYXEDSA-N 1 0 483.661 2.709 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001296197042 1064371987 /nfs/dbraw/zinc/37/19/87/1064371987.db2.gz WVCJLTPYJDWOHA-UHFFFAOYSA-N 1 0 497.688 2.924 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3cc(C)ccc3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001296202113 1064376604 /nfs/dbraw/zinc/37/66/04/1064376604.db2.gz DPBTWZOLAVPHFS-QHCPKHFHSA-N 1 0 497.688 2.559 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001291827395 1064377375 /nfs/dbraw/zinc/37/73/75/1064377375.db2.gz AHFFOOUADRPODK-FQEVSTJZSA-N 1 0 455.651 2.548 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccccc3)CC2)CC1 ZINC001296202508 1064377822 /nfs/dbraw/zinc/37/78/22/1064377822.db2.gz DNTQUARUKVLSCC-UHFFFAOYSA-N 1 0 467.662 2.828 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)CC1 ZINC001296202543 1064377944 /nfs/dbraw/zinc/37/79/44/1064377944.db2.gz FEGQYIVBVNBBTG-OAQYLSRUSA-N 1 0 471.650 2.712 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC001296202578 1064378627 /nfs/dbraw/zinc/37/86/27/1064378627.db2.gz GDMSPDCWVGNKSU-NRFANRHFSA-N 1 0 464.561 2.793 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296202952 1064379196 /nfs/dbraw/zinc/37/91/96/1064379196.db2.gz JBLJXOWSLRZQIS-OAQYLSRUSA-N 1 0 456.635 2.520 20 0 JFADRO CCN1CC[NH+](CCCCn2c(N3CCN(c4nc(C)cc(C)n4)CC3)nnc2C(C)(C)C)CC1 ZINC001296203109 1064380557 /nfs/dbraw/zinc/38/05/57/1064380557.db2.gz ICCJMHOUHBLRFD-UHFFFAOYSA-N 1 0 483.709 2.727 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203108 1064380663 /nfs/dbraw/zinc/38/06/63/1064380663.db2.gz IBIJYWFHYXKYSV-BXXSPATCSA-N 1 0 476.710 2.822 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001296203057 1064380704 /nfs/dbraw/zinc/38/07/04/1064380704.db2.gz KRDFKANSOSXCSC-QHCPKHFHSA-N 1 0 468.646 2.594 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296203327 1064381236 /nfs/dbraw/zinc/38/12/36/1064381236.db2.gz KVHZAPGDXJMHJD-URVUXULASA-N 1 0 474.625 2.792 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296203756 1064382998 /nfs/dbraw/zinc/38/29/98/1064382998.db2.gz OZQZDWXYTJHGLT-HDICACEKSA-N 1 0 494.482 2.687 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296204040 1064383505 /nfs/dbraw/zinc/38/35/05/1064383505.db2.gz POUDMZMDVDBYAR-SFHVURJKSA-N 1 0 477.604 2.920 20 0 JFADRO CCN1CC[NH+](CCCCn2c(N3CCC[C@H](C(=O)NCC4CC4)C3)nnc2C(C)(C)C)CC1 ZINC001296204107 1064384897 /nfs/dbraw/zinc/38/48/97/1064384897.db2.gz SASCNGXWKDKMKY-QFIPXVFZSA-N 1 0 473.710 2.736 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296204244 1064385646 /nfs/dbraw/zinc/38/56/46/1064385646.db2.gz IXMCRPZBFGEPOS-VXKWHMMOSA-N 1 0 462.683 2.984 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205072 1064387853 /nfs/dbraw/zinc/38/78/53/1064387853.db2.gz WVPHGVMXIRPWOY-DENIHFKCSA-N 1 0 471.625 2.983 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC001296205028 1064388613 /nfs/dbraw/zinc/38/86/13/1064388613.db2.gz QUPHCMDYVCYLPG-STWLZBDKSA-N 1 0 462.683 2.667 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CC3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296205201 1064389587 /nfs/dbraw/zinc/38/95/87/1064389587.db2.gz YHNSSNPBZBYRHF-TZIWHRDSSA-N 1 0 475.682 2.923 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001296205267 1064390049 /nfs/dbraw/zinc/39/00/49/1064390049.db2.gz RKFQKNKMKJITND-KRWDZBQOSA-N 1 0 466.055 2.608 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CCCC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001296205326 1064390811 /nfs/dbraw/zinc/39/08/11/1064390811.db2.gz TWCIVLDWELTJAH-UHFFFAOYSA-N 1 0 474.698 2.593 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001296205566 1064391143 /nfs/dbraw/zinc/39/11/43/1064391143.db2.gz WPAAZGRLZPGGLA-NQIIRXRSSA-N 1 0 457.598 2.593 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(C)o3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296206083 1064393337 /nfs/dbraw/zinc/39/33/37/1064393337.db2.gz HYYDSRVZICOEKV-FQEVSTJZSA-N 1 0 487.649 2.978 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001291831991 1064393709 /nfs/dbraw/zinc/39/37/09/1064393709.db2.gz DYVWANZUSLMFPC-CTNGQTDRSA-N 1 0 471.650 2.758 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001296206225 1064393962 /nfs/dbraw/zinc/39/39/62/1064393962.db2.gz KLXHGAFWTSFMNL-QGZVFWFLSA-N 1 0 494.471 2.946 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001291831999 1064394500 /nfs/dbraw/zinc/39/45/00/1064394500.db2.gz DYVWANZUSLMFPC-TZIWHRDSSA-N 1 0 471.650 2.758 20 0 JFADRO COc1cc(OC)c(Cn2nccc2NC(=O)CC2([NH+]3CCOCC3)CCCC2)c(OC)c1 ZINC001296209454 1064399293 /nfs/dbraw/zinc/39/92/93/1064399293.db2.gz JBGSIWCPZKJYDY-UHFFFAOYSA-N 1 0 458.559 2.931 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC001296209927 1064400059 /nfs/dbraw/zinc/40/00/59/1064400059.db2.gz BSLFMQDWUXVSQQ-HXUWFJFHSA-N 1 0 475.682 2.704 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296209926 1064400162 /nfs/dbraw/zinc/40/01/62/1064400162.db2.gz BSLFMQDWUXVSQQ-FQEVSTJZSA-N 1 0 475.682 2.704 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC3CCCC3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296210057 1064400230 /nfs/dbraw/zinc/40/02/30/1064400230.db2.gz CUEDJIXBTOOJQY-UHFFFAOYSA-N 1 0 473.710 2.733 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CCCOCC2)CC1 ZINC001296210613 1064400836 /nfs/dbraw/zinc/40/08/36/1064400836.db2.gz GYUQODNYOLCJRK-UHFFFAOYSA-N 1 0 456.635 2.728 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001296210649 1064400894 /nfs/dbraw/zinc/40/08/94/1064400894.db2.gz HCTACUJMDQBKBA-IBGZPJMESA-N 1 0 459.605 2.577 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)[NH+](C)C)CC1 ZINC001291833720 1064404072 /nfs/dbraw/zinc/40/40/72/1064404072.db2.gz OLYWBXDAZITNKF-CTNGQTDRSA-N 1 0 492.672 2.789 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001296213306 1064408085 /nfs/dbraw/zinc/40/80/85/1064408085.db2.gz HDCAVORVVOQKJD-IFMALSPDSA-N 1 0 491.725 2.575 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001291834202 1064408676 /nfs/dbraw/zinc/40/86/76/1064408676.db2.gz VBXOHFZCNJEKDN-OALUTQOASA-N 1 0 489.068 2.515 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001291834203 1064408746 /nfs/dbraw/zinc/40/87/46/1064408746.db2.gz VBXOHFZCNJEKDN-RBUKOAKNSA-N 1 0 489.068 2.515 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001291834463 1064410793 /nfs/dbraw/zinc/41/07/93/1064410793.db2.gz YVCZKMRNCRXDIQ-GCJKJVERSA-N 1 0 488.080 2.975 20 0 JFADRO CCn1nc(-c2nnc(N(C)C[C@H]3CCOC3)n2CCC[N@H+](C)C(C)C)c2ccccc2c1=O ZINC001296214667 1064413393 /nfs/dbraw/zinc/41/33/93/1064413393.db2.gz NUBBQCPRNKIGKB-LJQANCHMSA-N 1 0 467.618 2.878 20 0 JFADRO CCn1nc(-c2nnc(N(C)CC(C)C)n2CCC[NH+]2CCC(O)CC2)c2ccccc2c1=O ZINC001296215703 1064418474 /nfs/dbraw/zinc/41/84/74/1064418474.db2.gz YXTYQFPKUDRVHB-UHFFFAOYSA-N 1 0 467.618 2.614 20 0 JFADRO CC[C@H](c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1C[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291839863 1064434585 /nfs/dbraw/zinc/43/45/85/1064434585.db2.gz NTDZUXDZRHLELQ-CBGCIVQGSA-N 1 0 468.646 2.770 20 0 JFADRO CCn1nc(-c2nnc(N3CCC(C)=C(C)C3)n2CC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296219836 1064434642 /nfs/dbraw/zinc/43/46/42/1064434642.db2.gz OKNAQDQVUOOULG-UHFFFAOYSA-N 1 0 465.602 2.800 20 0 JFADRO CC[C@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291845678 1064452455 /nfs/dbraw/zinc/45/24/55/1064452455.db2.gz CHXNCIDIFDMIMB-FDDCHVKYSA-N 1 0 458.010 2.910 20 0 JFADRO CC[C@@H](c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC001291846336 1064453616 /nfs/dbraw/zinc/45/36/16/1064453616.db2.gz UZQQHPCVBVMABB-HSZRJFAPSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@H](c1nnc(N(C)CCS(C)(=O)=O)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291854047 1064461296 /nfs/dbraw/zinc/46/12/96/1064461296.db2.gz XMRBBNUGKDETIH-NRFANRHFSA-N 1 0 477.675 2.536 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291858338 1064467758 /nfs/dbraw/zinc/46/77/58/1064467758.db2.gz SBHFAJZDVBZTGO-NRYAXDJKSA-N 1 0 456.660 2.924 20 0 JFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233086 1064474394 /nfs/dbraw/zinc/47/43/94/1064474394.db2.gz ZNRTWMQHJJJZRQ-LPDPUAGKSA-N 1 0 452.599 2.559 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(CC(N)=O)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864486 1064477725 /nfs/dbraw/zinc/47/77/25/1064477725.db2.gz GLVHKXLXUVVRGP-XUZZJYLKSA-N 1 0 481.689 2.938 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](C)N1CCOCC1)c1ccccc1 ZINC001291870416 1064482884 /nfs/dbraw/zinc/48/28/84/1064482884.db2.gz VFRZKFVNASPIGI-HYBUGGRVSA-N 1 0 468.646 2.893 20 0 JFADRO CC[C@H](c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291874491 1064491673 /nfs/dbraw/zinc/49/16/73/1064491673.db2.gz OTYMZTWCKOZTEA-OFVILXPXSA-N 1 0 486.686 2.728 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291886434 1064507401 /nfs/dbraw/zinc/50/74/01/1064507401.db2.gz DLVJIWQUURPSIV-TZIWHRDSSA-N 1 0 490.599 2.750 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+](CC)CC)c1ccccc1 ZINC001291886636 1064507751 /nfs/dbraw/zinc/50/77/51/1064507751.db2.gz FMHHVTYARNJZFH-GGAORHGYSA-N 1 0 497.688 2.724 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccccc1 ZINC001291887958 1064510686 /nfs/dbraw/zinc/51/06/86/1064510686.db2.gz LPUFMWXBZWNMSW-ZRBLBEILSA-N 1 0 468.646 2.879 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1CCCC[NH+]1CCOCC1)c1ccccc1 ZINC001291888333 1064511124 /nfs/dbraw/zinc/51/11/24/1064511124.db2.gz RIPIXIQRUWZVEE-XUZZJYLKSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC(=O)N1CCOCC1)c1ccccc1 ZINC001291888848 1064513545 /nfs/dbraw/zinc/51/35/45/1064513545.db2.gz XYXOGHCNNLLGQQ-QFIPXVFZSA-N 1 0 468.646 2.989 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CCN1CCN(C(C)=O)CC1)c1ccccc1 ZINC001291890185 1064514933 /nfs/dbraw/zinc/51/49/33/1064514933.db2.gz VLYSRBBSOWUXQM-RUZDIDTESA-N 1 0 481.689 2.905 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291890966 1064516199 /nfs/dbraw/zinc/51/61/99/1064516199.db2.gz ZDNVYQTUIWWRDJ-SQJMNOBHSA-N 1 0 486.686 2.552 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001291891258 1064517003 /nfs/dbraw/zinc/51/70/03/1064517003.db2.gz DTDVVUGUSPBOPW-UGKGYDQZSA-N 1 0 494.644 2.827 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC001291891520 1064517821 /nfs/dbraw/zinc/51/78/21/1064517821.db2.gz BBQGSUWZZZMWPJ-RTWAWAEBSA-N 1 0 486.642 2.798 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CC(=O)NCC(F)F)c1ccccc1 ZINC001291893247 1064521343 /nfs/dbraw/zinc/52/13/43/1064521343.db2.gz KODLEIFZEDKESU-NRFANRHFSA-N 1 0 490.599 2.750 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291893367 1064521715 /nfs/dbraw/zinc/52/17/15/1064521715.db2.gz QYNBOMTWXMUKBZ-JOCHJYFZSA-N 1 0 464.618 2.747 20 0 JFADRO CC[C@@H](c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC001291897040 1064527924 /nfs/dbraw/zinc/52/79/24/1064527924.db2.gz AFDUEPJPWBULKH-RJGXRXQPSA-N 1 0 454.619 2.646 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291902066 1064533013 /nfs/dbraw/zinc/53/30/13/1064533013.db2.gz AZSAGWNIPAUBCD-MLDBQTBOSA-N 1 0 469.630 2.912 20 0 JFADRO CCC(CC)(Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1)SC ZINC001291902756 1064533541 /nfs/dbraw/zinc/53/35/41/1064533541.db2.gz ACCDHMVQRKKFSF-SFHVURJKSA-N 1 0 452.669 2.593 20 0 JFADRO CC[C@H](c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001291904477 1064535021 /nfs/dbraw/zinc/53/50/21/1064535021.db2.gz PRMZDBDXYXLHRG-KAMZKSLDSA-N 1 0 482.673 2.970 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC001296270111 1064538027 /nfs/dbraw/zinc/53/80/27/1064538027.db2.gz KZJUPZVGYHDCOL-AVRDEDQJSA-N 1 0 481.645 2.667 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC001296277737 1064547610 /nfs/dbraw/zinc/54/76/10/1064547610.db2.gz JPFMQSLETJNKQK-GCJKJVERSA-N 1 0 481.645 2.667 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)c1 ZINC001296279594 1064549783 /nfs/dbraw/zinc/54/97/83/1064549783.db2.gz JLEVDUSMMJNTET-GOSISDBHSA-N 1 0 466.586 2.801 20 0 JFADRO CCC(CC)(Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)SC ZINC001291933268 1064551945 /nfs/dbraw/zinc/55/19/45/1064551945.db2.gz GFFJFFHQHOWGPM-NRFANRHFSA-N 1 0 485.702 2.929 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001296281834 1064553167 /nfs/dbraw/zinc/55/31/67/1064553167.db2.gz NFBYAZNVZNARCY-SFHVURJKSA-N 1 0 495.653 2.598 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC001296283129 1064555171 /nfs/dbraw/zinc/55/51/71/1064555171.db2.gz KMEXFANSDZHJRJ-UGKGYDQZSA-N 1 0 487.718 2.978 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001296287720 1064560000 /nfs/dbraw/zinc/56/00/00/1064560000.db2.gz CNWBFNQVBMJJRD-UHFFFAOYSA-N 1 0 467.662 2.642 20 0 JFADRO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291945579 1064560324 /nfs/dbraw/zinc/56/03/24/1064560324.db2.gz MIPQXQPCXAXSDN-JQVVWYNYSA-N 1 0 459.612 2.643 20 0 JFADRO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC001291948693 1064560888 /nfs/dbraw/zinc/56/08/88/1064560888.db2.gz JURZPYYJYOKZNZ-AUSIDOKSSA-N 1 0 459.612 2.549 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001291950563 1064561414 /nfs/dbraw/zinc/56/14/14/1064561414.db2.gz ARMUFXUJDWJLBR-FCHUYYIVSA-N 1 0 459.639 2.850 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001291950568 1064561442 /nfs/dbraw/zinc/56/14/42/1064561442.db2.gz ARMUFXUJDWJLBR-VXKWHMMOSA-N 1 0 459.639 2.850 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1)[NH+](C)C ZINC001291950662 1064561651 /nfs/dbraw/zinc/56/16/51/1064561651.db2.gz CGLKEUBCCCVHAC-ICSRJNTNSA-N 1 0 484.711 2.652 20 0 JFADRO CCC(CC)[C@H](Cn1c(C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1)[NH+]1CCOCC1 ZINC001291950659 1064561718 /nfs/dbraw/zinc/56/17/18/1064561718.db2.gz CFUSXLZMGFBRNS-DEOSSOPVSA-N 1 0 486.636 2.754 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCOC1)[NH+](C)C ZINC001291950943 1064562926 /nfs/dbraw/zinc/56/29/26/1064562926.db2.gz BFVGBOHEBLJFCD-PZJWPPBQSA-N 1 0 463.648 2.940 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1)[NH+](C)C ZINC001291950944 1064562957 /nfs/dbraw/zinc/56/29/57/1064562957.db2.gz BFVGBOHEBLJFCD-TZIWHRDSSA-N 1 0 463.648 2.940 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)[NH+](C)C ZINC001291951731 1064563644 /nfs/dbraw/zinc/56/36/44/1064563644.db2.gz FJRLIKBYXGKEPC-FCHUYYIVSA-N 1 0 497.644 2.793 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCOCC1 ZINC001291951750 1064564066 /nfs/dbraw/zinc/56/40/66/1064564066.db2.gz FOVZLQNOPHBJFN-YLJYHZDGSA-N 1 0 490.052 2.797 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291952031 1064565003 /nfs/dbraw/zinc/56/50/03/1064565003.db2.gz HHLREIREQGWBDO-ROUUACIJSA-N 1 0 461.014 2.574 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)[NH+]1CCOCC1 ZINC001291952296 1064565293 /nfs/dbraw/zinc/56/52/93/1064565293.db2.gz KBIOARVBMJLCMX-NHCUHLMSSA-N 1 0 473.618 2.794 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001296289680 1064565482 /nfs/dbraw/zinc/56/54/82/1064565482.db2.gz WJMXUMOJVULUER-IBGZPJMESA-N 1 0 476.069 2.833 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C3CCC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001296290552 1064566948 /nfs/dbraw/zinc/56/69/48/1064566948.db2.gz GWMGBFCTKJFWLR-FQEVSTJZSA-N 1 0 467.662 2.933 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001291954598 1064568534 /nfs/dbraw/zinc/56/85/34/1064568534.db2.gz VQBZSIIYLGBVSW-LJQANCHMSA-N 1 0 479.670 2.840 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O)[NH+](C)C ZINC001291956382 1064571233 /nfs/dbraw/zinc/57/12/33/1064571233.db2.gz ZQDHLWYYPKLHRT-NRFANRHFSA-N 1 0 497.644 2.841 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(CC(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC001296295329 1064571520 /nfs/dbraw/zinc/57/15/20/1064571520.db2.gz PVAIDBYIJXHRNF-HXUWFJFHSA-N 1 0 473.691 2.633 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001291961023 1064572955 /nfs/dbraw/zinc/57/29/55/1064572955.db2.gz AJYMNWAUGUIRNE-KNQAVFIVSA-N 1 0 471.650 2.512 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+](C)C ZINC001291961341 1064573781 /nfs/dbraw/zinc/57/37/81/1064573781.db2.gz HKUPJLVVKULYPR-VQIMIIECSA-N 1 0 456.591 2.707 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+]1CCOCC1 ZINC001291961400 1064574199 /nfs/dbraw/zinc/57/41/99/1064574199.db2.gz IITWGNSYKJVPNO-SIKLNZKXSA-N 1 0 484.645 2.758 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC[NH+]2CCCCCC2)CC1 ZINC001296297243 1064574204 /nfs/dbraw/zinc/57/42/04/1064574204.db2.gz HBCYGMPTRNJVLO-UHFFFAOYSA-N 1 0 497.688 2.608 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001296297393 1064574313 /nfs/dbraw/zinc/57/43/13/1064574313.db2.gz IAZQOUYZTPQPJU-HSZRJFAPSA-N 1 0 497.688 2.544 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291961604 1064574360 /nfs/dbraw/zinc/57/43/60/1064574360.db2.gz LRBPWRLEAWMNDP-PMACEKPBSA-N 1 0 491.658 2.706 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCOCC1 ZINC001291961562 1064574388 /nfs/dbraw/zinc/57/43/88/1064574388.db2.gz LHVPPDJUTLXLAA-FCHUYYIVSA-N 1 0 454.619 2.797 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1)[NH+](C)C ZINC001291961767 1064574704 /nfs/dbraw/zinc/57/47/04/1064574704.db2.gz BZRYBKWDDBVVOI-LZBANZJXSA-N 1 0 458.655 2.929 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291961845 1064575116 /nfs/dbraw/zinc/57/51/16/1064575116.db2.gz NKFZWLKXZAEXAS-QHCPKHFHSA-N 1 0 484.645 2.759 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC001291962976 1064576267 /nfs/dbraw/zinc/57/62/67/1064576267.db2.gz RCYRTMWSRLQIML-HSZRJFAPSA-N 1 0 485.677 2.773 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1)[NH+](C)C ZINC001291963900 1064577125 /nfs/dbraw/zinc/57/71/25/1064577125.db2.gz KWWIHSZLVLCDQA-AZUAARDMSA-N 1 0 477.679 2.830 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1)[NH+]1CCOCC1 ZINC001291964753 1064578139 /nfs/dbraw/zinc/57/81/39/1064578139.db2.gz VRJOEGFCPRLQLZ-GMAHTHKFSA-N 1 0 469.634 2.582 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1)[NH+](C)C ZINC001291965774 1064578640 /nfs/dbraw/zinc/57/86/40/1064578640.db2.gz IMKZKXYJAGMSSE-IHPCNDPISA-N 1 0 472.638 2.746 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1)[NH+](C)C ZINC001291965851 1064578866 /nfs/dbraw/zinc/57/88/66/1064578866.db2.gz JBFLGUPTQRULQH-RTWAWAEBSA-N 1 0 491.681 2.900 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1)[NH+]1CCOCC1 ZINC001291966187 1064579149 /nfs/dbraw/zinc/57/91/49/1064579149.db2.gz JLWMDWNLQIYFON-DHIUTWEWSA-N 1 0 490.693 2.614 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291966040 1064579280 /nfs/dbraw/zinc/57/92/80/1064579280.db2.gz TWAFLBRVOCJJNM-QFIPXVFZSA-N 1 0 451.623 2.767 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001291966823 1064581193 /nfs/dbraw/zinc/58/11/93/1064581193.db2.gz DGHPKTZYUYBZAW-PKTZIBPZSA-N 1 0 470.662 2.765 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001291967353 1064582348 /nfs/dbraw/zinc/58/23/48/1064582348.db2.gz IMNNVJHJFONVDT-CTNGQTDRSA-N 1 0 457.598 2.588 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1)[NH+](C)C ZINC001291967348 1064582473 /nfs/dbraw/zinc/58/24/73/1064582473.db2.gz ICIWMEBVBMMTGY-QZTJIDSGSA-N 1 0 457.710 2.878 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1)[NH+](C)C ZINC001291968036 1064584041 /nfs/dbraw/zinc/58/40/41/1064584041.db2.gz SULTTYSPTJXMOA-FGZHOGPDSA-N 1 0 470.666 2.964 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001291968519 1064584473 /nfs/dbraw/zinc/58/44/73/1064584473.db2.gz QFGIMZXKMMOCSQ-RBUKOAKNSA-N 1 0 473.670 2.765 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291969066 1064585071 /nfs/dbraw/zinc/58/50/71/1064585071.db2.gz YCYXCUHOGXYHNW-AQNXPRMDSA-N 1 0 455.669 2.552 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+]1CCOCC1 ZINC001291969954 1064586021 /nfs/dbraw/zinc/58/60/21/1064586021.db2.gz YJEQYCVMGBSJIG-JOCHJYFZSA-N 1 0 485.677 2.660 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1)[NH+](C)C ZINC001291970141 1064586054 /nfs/dbraw/zinc/58/60/54/1064586054.db2.gz ZWEYDCMUZVBABI-CEXWTWQISA-N 1 0 496.703 2.581 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291973645 1064588363 /nfs/dbraw/zinc/58/83/63/1064588363.db2.gz IMTTXWFHSCCFCY-NHCUHLMSSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1)[NH+](C)C ZINC001291973647 1064588587 /nfs/dbraw/zinc/58/85/87/1064588587.db2.gz IMTTXWFHSCCFCY-SFTDATJTSA-N 1 0 468.606 2.900 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001291973664 1064588604 /nfs/dbraw/zinc/58/86/04/1064588604.db2.gz IXKALCURTZEFIT-AUSIDOKSSA-N 1 0 459.664 2.859 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291975385 1064590181 /nfs/dbraw/zinc/59/01/81/1064590181.db2.gz SJAXOOBZGJAELK-PKTZIBPZSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001291975535 1064590456 /nfs/dbraw/zinc/59/04/56/1064590456.db2.gz VEKPWILCGRBQFI-LEWJYISDSA-N 1 0 461.680 2.521 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1)[NH+](C)C ZINC001291975536 1064590606 /nfs/dbraw/zinc/59/06/06/1064590606.db2.gz VEKPWILCGRBQFI-NHCUHLMSSA-N 1 0 461.680 2.521 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(OC)C1)[NH+]1CCOCC1 ZINC001291975729 1064591305 /nfs/dbraw/zinc/59/13/05/1064591305.db2.gz YCMLWKQZQWPRGE-PXDATVDWSA-N 1 0 476.666 2.543 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291975790 1064591669 /nfs/dbraw/zinc/59/16/69/1064591669.db2.gz ZHGDHHVJKHKLPM-NHCUHLMSSA-N 1 0 487.674 2.506 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001296312130 1064591886 /nfs/dbraw/zinc/59/18/86/1064591886.db2.gz XFOODRNDCYQDGO-NRFANRHFSA-N 1 0 454.623 2.620 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2CCCOCC2)nnc1[C@]1(OC(C)C)CCOC1)[NH+]1CCOCC1 ZINC001291976262 1064592081 /nfs/dbraw/zinc/59/20/81/1064592081.db2.gz FQMSVNYUCRBCGZ-DHLKQENFSA-N 1 0 479.666 2.682 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)on1 ZINC001291976215 1064592169 /nfs/dbraw/zinc/59/21/69/1064592169.db2.gz DTPOAQMPIUTQAW-PKOBYXMFSA-N 1 0 493.678 2.893 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)on1 ZINC001291976759 1064592865 /nfs/dbraw/zinc/59/28/65/1064592865.db2.gz IUCLTKLRDMJNGY-SOLBZPMBSA-N 1 0 479.651 2.501 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296315558 1064594716 /nfs/dbraw/zinc/59/47/16/1064594716.db2.gz RYWRIAZPAULNIR-WOJBJXKFSA-N 1 0 461.655 2.534 20 0 JFADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@]3(O)CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001291988727 1064603211 /nfs/dbraw/zinc/60/32/11/1064603211.db2.gz AFBWZXUTGQCRAP-KYTVRQNUSA-N 1 0 451.567 2.902 20 0 JFADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@]3(O)CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001291988714 1064603302 /nfs/dbraw/zinc/60/33/02/1064603302.db2.gz AFBWZXUTGQCRAP-BVFVYWQFSA-N 1 0 451.567 2.902 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291993359 1064608968 /nfs/dbraw/zinc/60/89/68/1064608968.db2.gz GWDLWEPNXASANP-ROUUACIJSA-N 1 0 458.655 2.995 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001296324629 1064610793 /nfs/dbraw/zinc/61/07/93/1064610793.db2.gz AXZZCJNQULBLEG-SJLPKXTDSA-N 1 0 480.704 2.744 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)[NH+](C)C)C1 ZINC001296324628 1064610824 /nfs/dbraw/zinc/61/08/24/1064610824.db2.gz AXZZCJNQULBLEG-FUHWJXTLSA-N 1 0 480.704 2.744 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001296324796 1064612275 /nfs/dbraw/zinc/61/22/75/1064612275.db2.gz CCUWBDSFLPJRLA-LEWJYISDSA-N 1 0 496.722 2.592 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H](C)CC)n2CC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC001296324802 1064612776 /nfs/dbraw/zinc/61/27/76/1064612776.db2.gz CCUWBDSFLPJRLA-SFTDATJTSA-N 1 0 496.722 2.592 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cc(Br)cs2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001291996206 1064613029 /nfs/dbraw/zinc/61/30/29/1064613029.db2.gz YCUNLMPBUPGETN-FQEVSTJZSA-N 1 0 499.479 2.724 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001296327834 1064622194 /nfs/dbraw/zinc/62/21/94/1064622194.db2.gz ZHHUWLKDOKKVDE-SFTDATJTSA-N 1 0 460.648 2.584 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001296328282 1064622689 /nfs/dbraw/zinc/62/26/89/1064622689.db2.gz ANSGENIPBLQJDA-IEBWSBKVSA-N 1 0 496.081 2.632 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001292018583 1064654809 /nfs/dbraw/zinc/65/48/09/1064654809.db2.gz VKIDBTHIKDMFQJ-WOJBJXKFSA-N 1 0 482.677 2.874 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001292020864 1064660884 /nfs/dbraw/zinc/66/08/84/1064660884.db2.gz HTKJKAMMHOJKKN-RNHFSVANSA-N 1 0 476.666 2.703 20 0 JFADRO CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)c2)CC1 ZINC001292021299 1064661907 /nfs/dbraw/zinc/66/19/07/1064661907.db2.gz UJSDYKQJURIYOH-UHFFFAOYSA-N 1 0 456.612 2.861 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCn1cc(Br)cn1 ZINC001292029778 1064683903 /nfs/dbraw/zinc/68/39/03/1064683903.db2.gz GCFMJMQJNZKUFM-MAUKXSAKSA-N 1 0 493.454 2.529 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292036280 1064700048 /nfs/dbraw/zinc/70/00/48/1064700048.db2.gz MFBVYMBNLFAVPY-YLJYHZDGSA-N 1 0 474.581 2.638 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001292046390 1064710694 /nfs/dbraw/zinc/71/06/94/1064710694.db2.gz SVNHLHGUPNHGPX-IEXUWNMDSA-N 1 0 498.672 2.673 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001292049545 1064714600 /nfs/dbraw/zinc/71/46/00/1064714600.db2.gz MOOAKODYBHBYBT-XMMPIXPASA-N 1 0 488.706 2.751 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292049543 1064714720 /nfs/dbraw/zinc/71/47/20/1064714720.db2.gz MOOAKODYBHBYBT-DEOSSOPVSA-N 1 0 488.706 2.751 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001292051360 1064716275 /nfs/dbraw/zinc/71/62/75/1064716275.db2.gz XGBVOKLEYARVPM-KBMIEXCESA-N 1 0 454.619 2.565 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCn1cncn1 ZINC001292054383 1064720334 /nfs/dbraw/zinc/72/03/34/1064720334.db2.gz AZXVDRYRZXWLMB-UHFFFAOYSA-N 1 0 471.654 2.581 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001292054864 1064722413 /nfs/dbraw/zinc/72/24/13/1064722413.db2.gz LDMGUPPFGFZJQY-VQTJNVASSA-N 1 0 485.681 2.825 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001292055254 1064723581 /nfs/dbraw/zinc/72/35/81/1064723581.db2.gz IRYWZMXAFBDPFB-HXUWFJFHSA-N 1 0 458.607 2.835 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001292062993 1064735108 /nfs/dbraw/zinc/73/51/08/1064735108.db2.gz KGMBYSSXSOKXCK-HKUYNNGSSA-N 1 0 489.665 2.784 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CC1([NH+](C)C)CCC1 ZINC001292065125 1064740803 /nfs/dbraw/zinc/74/08/03/1064740803.db2.gz CDHCUAHECNDRHR-RUZDIDTESA-N 1 0 472.609 2.918 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC([NH2+]C(C)C)CC2)n1Cc1cccc(C(=O)NC)c1 ZINC001292065582 1064741906 /nfs/dbraw/zinc/74/19/06/1064741906.db2.gz DRXZNBOCIQFYOP-UHFFFAOYSA-N 1 0 469.634 2.571 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292066077 1064743339 /nfs/dbraw/zinc/74/33/39/1064743339.db2.gz JIVVMJWRBNQYIM-CJAUYULYSA-N 1 0 472.609 2.918 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3ccc(F)cc3)C2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292066075 1064743383 /nfs/dbraw/zinc/74/33/83/1064743383.db2.gz JIVVMJWRBNQYIM-BVZFJXPGSA-N 1 0 472.609 2.918 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1C[C@H](C)[NH+](C)C ZINC001292066141 1064743421 /nfs/dbraw/zinc/74/34/21/1064743421.db2.gz KFFYDPGGAWLKNX-SFHVURJKSA-N 1 0 474.625 2.860 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3ccccc3F)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292066522 1064744221 /nfs/dbraw/zinc/74/42/21/1064744221.db2.gz MLDHCVPEHNKZNO-PXDATVDWSA-N 1 0 472.609 2.774 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001292070563 1064749668 /nfs/dbraw/zinc/74/96/68/1064749668.db2.gz OFGMMKHUSUGDLY-UHFFFAOYSA-N 1 0 473.666 2.568 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1CCC(=O)NC(C)(C)C ZINC001292078154 1064760290 /nfs/dbraw/zinc/76/02/90/1064760290.db2.gz CMEQTIBBSVBKLT-RXVVDRJESA-N 1 0 487.693 2.954 20 0 JFADRO CCC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)cc2Cl)CC1 ZINC001292081592 1064764018 /nfs/dbraw/zinc/76/40/18/1064764018.db2.gz FXMZLBXGSLHBAG-UHFFFAOYSA-N 1 0 450.992 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001292089478 1064773495 /nfs/dbraw/zinc/77/34/95/1064773495.db2.gz KPQFDCAIOGSXEU-RTWAWAEBSA-N 1 0 471.654 2.587 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292092831 1064781297 /nfs/dbraw/zinc/78/12/97/1064781297.db2.gz ZPCGNKHBEYFWLJ-JTHBVZDNSA-N 1 0 499.708 2.569 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292093047 1064781665 /nfs/dbraw/zinc/78/16/65/1064781665.db2.gz DDXQGLMSYHMSDN-RTWAWAEBSA-N 1 0 485.681 2.663 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](COC)C2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001292095188 1064786787 /nfs/dbraw/zinc/78/67/87/1064786787.db2.gz URXWNJHJJXBGMQ-FQEVSTJZSA-N 1 0 476.666 2.704 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292102464 1064793313 /nfs/dbraw/zinc/79/33/13/1064793313.db2.gz RQAKQQNYBZWSGG-MSYCTHLASA-N 1 0 464.680 2.782 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001292104424 1064797103 /nfs/dbraw/zinc/79/71/03/1064797103.db2.gz FJPPLJNVNAUNRZ-HXUWFJFHSA-N 1 0 498.672 2.817 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001292105446 1064797806 /nfs/dbraw/zinc/79/78/06/1064797806.db2.gz KNUQIMNDOUNSOS-HXUWFJFHSA-N 1 0 473.666 2.566 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCS(=O)(=O)C(C)(C)C ZINC001292106150 1064801750 /nfs/dbraw/zinc/80/17/50/1064801750.db2.gz SUEUFKKURNIWRV-UHFFFAOYSA-N 1 0 484.711 2.720 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC(C)(C)C[NH+](C)C ZINC001292106070 1064802342 /nfs/dbraw/zinc/80/23/42/1064802342.db2.gz SDUTYGSYNPIXNK-UHFFFAOYSA-N 1 0 491.710 2.661 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1cccnc1-n1cccn1 ZINC001292106466 1064804347 /nfs/dbraw/zinc/80/43/47/1064804347.db2.gz XQENIJCQWCTOLK-UHFFFAOYSA-N 1 0 479.633 2.746 20 0 JFADRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)C1 ZINC001292108509 1064805538 /nfs/dbraw/zinc/80/55/38/1064805538.db2.gz HJIUJDOKUANYCL-GIVPXCGWSA-N 1 0 458.603 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCC[C@@H]1C ZINC001292110687 1064816197 /nfs/dbraw/zinc/81/61/97/1064816197.db2.gz MFFHIRIIDSGAIJ-FQEVSTJZSA-N 1 0 481.645 2.643 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292110690 1064816622 /nfs/dbraw/zinc/81/66/22/1064816622.db2.gz MFFHIRIIDSGAIJ-HXUWFJFHSA-N 1 0 481.645 2.643 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CSCCS1 ZINC001292114128 1064825817 /nfs/dbraw/zinc/82/58/17/1064825817.db2.gz SQAMUPAUDPOQGC-KRWDZBQOSA-N 1 0 454.710 2.966 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cnn(-c2ccccc2)c1 ZINC001292117299 1064843734 /nfs/dbraw/zinc/84/37/34/1064843734.db2.gz VDFVXGJPSYDLTH-UHFFFAOYSA-N 1 0 464.618 2.961 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001292121559 1064850417 /nfs/dbraw/zinc/85/04/17/1064850417.db2.gz ABTUCHIPRXXMAO-FQEVSTJZSA-N 1 0 497.692 2.886 20 0 JFADRO CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)c2C(F)F)CC1 ZINC001292121787 1064853612 /nfs/dbraw/zinc/85/36/12/1064853612.db2.gz JWDQXIYTUCGIJG-ZDUSSCGKSA-N 1 0 454.522 2.754 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001292123302 1064860991 /nfs/dbraw/zinc/86/09/91/1064860991.db2.gz BUYFMNJIIMMGRK-QFIPXVFZSA-N 1 0 495.672 2.742 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCCN1CCOCC1 ZINC001292124619 1064865858 /nfs/dbraw/zinc/86/58/58/1064865858.db2.gz GAELCKDEFPOTQI-UHFFFAOYSA-N 1 0 489.709 2.620 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCC3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001292125141 1064867893 /nfs/dbraw/zinc/86/78/93/1064867893.db2.gz IYYXAQKKYYQQPQ-UHFFFAOYSA-N 1 0 468.650 2.770 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](Cc3ccccc3C)CC2)n1Cc1cnn(C)c1 ZINC001292124978 1064867915 /nfs/dbraw/zinc/86/79/15/1064867915.db2.gz RAICNQPKGCFPHU-UHFFFAOYSA-N 1 0 464.618 2.609 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1Cc1cccs1 ZINC001292125278 1064868338 /nfs/dbraw/zinc/86/83/38/1064868338.db2.gz BJDHUQYFYUIDAH-UHFFFAOYSA-N 1 0 460.648 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(Cc3cscn3)CC2)n1CC[NH+]1CCCCCC1 ZINC001292125710 1064871121 /nfs/dbraw/zinc/87/11/21/1064871121.db2.gz FBMLFXOLSQMJPO-UHFFFAOYSA-N 1 0 488.706 2.851 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1C[C@H]1C[C@H]1C ZINC001292125925 1064873064 /nfs/dbraw/zinc/87/30/64/1064873064.db2.gz MZEZRCAPVNUCBD-WOJBJXKFSA-N 1 0 459.683 2.847 20 0 JFADRO 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CCC(CC)NC(=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001292134068 1064891413 /nfs/dbraw/zinc/89/14/13/1064891413.db2.gz PIGAAULBQXAWPW-GMWXTNTRSA-N 1 0 486.686 2.798 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292134692 1064895394 /nfs/dbraw/zinc/89/53/94/1064895394.db2.gz VBPYQBBRHNXHCA-BJLQDIEVSA-N 1 0 489.665 2.594 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292134694 1064895426 /nfs/dbraw/zinc/89/54/26/1064895426.db2.gz VBPYQBBRHNXHCA-NSHGMRRFSA-N 1 0 489.665 2.594 20 0 JFADRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141549 1064909436 /nfs/dbraw/zinc/90/94/36/1064909436.db2.gz LLTBRCGVCGYHGZ-LPHOPBHVSA-N 1 0 451.493 2.991 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(C(F)(F)F)cc1 ZINC001292141551 1064909572 /nfs/dbraw/zinc/90/95/72/1064909572.db2.gz LLTBRCGVCGYHGZ-QFBILLFUSA-N 1 0 451.493 2.991 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3nnc(C)o3)C2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001292143119 1064910804 /nfs/dbraw/zinc/91/08/04/1064910804.db2.gz AOJWQERPDIRPCO-OALUTQOASA-N 1 0 488.637 2.586 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001292143842 1064913449 /nfs/dbraw/zinc/91/34/49/1064913449.db2.gz IMVFJZGCZDGTIW-XLIONFOSSA-N 1 0 488.637 2.588 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H](CC)C2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001292144461 1064915327 /nfs/dbraw/zinc/91/53/27/1064915327.db2.gz MLRIDOQUJRTAFJ-JOCHJYFZSA-N 1 0 454.619 2.870 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC[C@H]2C)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001292146167 1064923146 /nfs/dbraw/zinc/92/31/46/1064923146.db2.gz LVOQHRKVPBBFTQ-GOSISDBHSA-N 1 0 455.607 2.733 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292150937 1064928784 /nfs/dbraw/zinc/92/87/84/1064928784.db2.gz HMFVTRXIQHPWEB-IEBWSBKVSA-N 1 0 477.654 2.642 20 0 JFADRO 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CC[C@H](Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCC([NH2+]C(C)C)CC1)OC ZINC001292175302 1064964970 /nfs/dbraw/zinc/96/49/70/1064964970.db2.gz RIHFZROPIPNYDK-LJQANCHMSA-N 1 0 477.679 2.938 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001292176170 1064966255 /nfs/dbraw/zinc/96/62/55/1064966255.db2.gz WZGAUOSBLHQBCI-DBXWQHBBSA-N 1 0 460.648 2.714 20 0 JFADRO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CC2CC2)CC1 ZINC001292176814 1064967869 /nfs/dbraw/zinc/96/78/69/1064967869.db2.gz SDEVAASFTRHPOP-UHFFFAOYSA-N 1 0 455.603 2.708 20 0 JFADRO CC[C@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292178673 1064969072 /nfs/dbraw/zinc/96/90/72/1064969072.db2.gz GHLAMOSITKWPDF-KNQAVFIVSA-N 1 0 491.658 2.850 20 0 JFADRO CC[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC1CC1)[NH+]1CCCC1 ZINC001292183276 1064973697 /nfs/dbraw/zinc/97/36/97/1064973697.db2.gz CDAADQQHGBGMHP-FQEVSTJZSA-N 1 0 460.648 2.916 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)OC ZINC001292184638 1064975583 /nfs/dbraw/zinc/97/55/83/1064975583.db2.gz KVJXQIDVFWDMKQ-VQTJNVASSA-N 1 0 461.632 2.838 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@H](C)C1)[NH+]1CCCC1 ZINC001292191521 1064983391 /nfs/dbraw/zinc/98/33/91/1064983391.db2.gz HJGDWFAIGDINHI-IEBWSBKVSA-N 1 0 456.591 2.504 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292191520 1064983524 /nfs/dbraw/zinc/98/35/24/1064983524.db2.gz HJGDWFAIGDINHI-HKUYNNGSSA-N 1 0 456.591 2.504 20 0 JFADRO CC[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292195935 1064987731 /nfs/dbraw/zinc/98/77/31/1064987731.db2.gz QUIKFWPTEVJPFS-INIZCTEOSA-N 1 0 482.448 2.817 20 0 JFADRO CC[C@@H](Cn1c(-c2cccnc2)nnc1N(C)C[C@H](C)C(=O)NC)[N@@H+]1CCc2ccccc2C1 ZINC001292199746 1064991038 /nfs/dbraw/zinc/99/10/38/1064991038.db2.gz QBZICEBNGLRNCX-CVDCTZTESA-N 1 0 461.614 2.995 20 0 JFADRO 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CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292239237 1065023863 /nfs/dbraw/zinc/02/38/63/1065023863.db2.gz LANNXFAHRNFSPY-RTBURBONSA-N 1 0 451.662 2.818 20 0 JFADRO CC[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1)[NH+]1CCCC1 ZINC001292242912 1065025265 /nfs/dbraw/zinc/02/52/65/1065025265.db2.gz OBCREUYBPKRBNR-QFIPXVFZSA-N 1 0 459.683 2.532 20 0 JFADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCC1 ZINC001292246235 1065029471 /nfs/dbraw/zinc/02/94/71/1065029471.db2.gz FLGDLJOLQOIUCK-HXUWFJFHSA-N 1 0 489.571 2.628 20 0 JFADRO CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001292252170 1065034151 /nfs/dbraw/zinc/03/41/51/1065034151.db2.gz NVVFFLPBXXNLHS-QGZVFWFLSA-N 1 0 499.607 2.828 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292252928 1065035554 /nfs/dbraw/zinc/03/55/54/1065035554.db2.gz VZHMYPHJFRSYEB-HXUWFJFHSA-N 1 0 461.632 2.583 20 0 JFADRO CC[C@H](Cn1c(COc2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1)[NH+]1CCCC1 ZINC001292253538 1065035618 /nfs/dbraw/zinc/03/56/18/1065035618.db2.gz AHZRFSUUJCMIQX-OAQYLSRUSA-N 1 0 470.618 2.845 20 0 JFADRO CC[C@H](Cn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+]1CCCC1 ZINC001292256416 1065038746 /nfs/dbraw/zinc/03/87/46/1065038746.db2.gz UKJSAHWNNQOSLB-YOSAUDMPSA-N 1 0 463.623 2.583 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001292262049 1065041006 /nfs/dbraw/zinc/04/10/06/1065041006.db2.gz KXBJQNULXXJALQ-UFYCRDLUSA-N 1 0 489.665 2.926 20 0 JFADRO CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+]1CCCC1 ZINC001292263254 1065042221 /nfs/dbraw/zinc/04/22/21/1065042221.db2.gz AKZAZZVDALFXQM-FUDKSRODSA-N 1 0 476.666 2.571 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001292271651 1065048768 /nfs/dbraw/zinc/04/87/68/1065048768.db2.gz GEXDNRIIHPQTRR-MJGOQNOKSA-N 1 0 461.632 2.573 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001292274171 1065051476 /nfs/dbraw/zinc/05/14/76/1065051476.db2.gz ZIAQMKWHOGTOOE-HXUWFJFHSA-N 1 0 475.659 2.964 20 0 JFADRO CCC(O)(CC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001292276590 1065053383 /nfs/dbraw/zinc/05/33/83/1065053383.db2.gz SNSPZQYPSCLPPV-UHFFFAOYSA-N 1 0 459.591 2.772 20 0 JFADRO C[NH+](C)CCOc1cccc(NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001292293344 1065065346 /nfs/dbraw/zinc/06/53/46/1065065346.db2.gz SLVUPGMKVBMYJG-WJOKGBTCSA-N 1 0 453.605 2.714 20 0 JFADRO CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)O1 ZINC001292295030 1065066832 /nfs/dbraw/zinc/06/68/32/1065066832.db2.gz FEIFTNZLFFTGGO-PXDATVDWSA-N 1 0 486.665 2.561 20 0 JFADRO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)O1 ZINC001292304935 1065075299 /nfs/dbraw/zinc/07/52/99/1065075299.db2.gz OGDBIVIOSNNDTQ-WZOHSFFVSA-N 1 0 460.667 2.957 20 0 JFADRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)o1 ZINC001292305288 1065075663 /nfs/dbraw/zinc/07/56/63/1065075663.db2.gz UOWWSVABZGGQKQ-KRWDZBQOSA-N 1 0 450.580 2.615 20 0 JFADRO O=C(C[C@H](n1ccnc1)C(F)(F)F)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309957 1065078150 /nfs/dbraw/zinc/07/81/50/1065078150.db2.gz ZYBMQLQMMZWREP-OALUTQOASA-N 1 0 450.509 2.832 20 0 JFADRO O=C(C[C@@H](n1ccnc1)C(F)(F)F)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC001292309959 1065078292 /nfs/dbraw/zinc/07/82/92/1065078292.db2.gz ZYBMQLQMMZWREP-RTBURBONSA-N 1 0 450.509 2.832 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC001292325712 1065085907 /nfs/dbraw/zinc/08/59/07/1065085907.db2.gz JKFXTPOKICGUFT-MSOLQXFVSA-N 1 0 458.525 2.765 20 0 JFADRO C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)c2)CC1 ZINC001292326079 1065086297 /nfs/dbraw/zinc/08/62/97/1065086297.db2.gz PFDDLXJZPVYJCR-UHFFFAOYSA-N 1 0 454.640 2.707 20 0 JFADRO COc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(CC(=O)NC4CCCC4)c3)CC2)cc1 ZINC001292348706 1065095341 /nfs/dbraw/zinc/09/53/41/1065095341.db2.gz ULMDKFZUOAQQQI-UHFFFAOYSA-N 1 0 453.587 2.593 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292355693 1065099794 /nfs/dbraw/zinc/09/97/94/1065099794.db2.gz KTUXFWKAYSJCKB-NVQXNPDNSA-N 1 0 484.645 2.902 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(OC)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCO1 ZINC001292355692 1065099814 /nfs/dbraw/zinc/09/98/14/1065099814.db2.gz KTUXFWKAYSJCKB-GJZUVCINSA-N 1 0 484.645 2.902 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCO1 ZINC001292364702 1065105551 /nfs/dbraw/zinc/10/55/51/1065105551.db2.gz LTJLTDYMRMPMJJ-REWPJTCUSA-N 1 0 462.664 2.876 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(Cc3csc(C)n3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCO1 ZINC001292364701 1065105587 /nfs/dbraw/zinc/10/55/87/1065105587.db2.gz LTJLTDYMRMPMJJ-OFNKIYASSA-N 1 0 462.664 2.876 20 0 JFADRO COc1cc2nc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCCC3)c(=O)n(C)c2cc1OC ZINC001292379155 1065122598 /nfs/dbraw/zinc/12/25/98/1065122598.db2.gz ZLSGQTLGPROHEQ-HXUWFJFHSA-N 1 0 450.539 2.826 20 0 JFADRO CCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC001292432159 1065157493 /nfs/dbraw/zinc/15/74/93/1065157493.db2.gz MRTJHTMLWVDMFJ-KRWDZBQOSA-N 1 0 472.556 2.901 20 0 JFADRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O ZINC001292439495 1065166869 /nfs/dbraw/zinc/16/68/69/1065166869.db2.gz FZFFHLQQGYVXIB-UHFFFAOYSA-N 1 0 457.449 2.772 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)C2)[NH+](C)C)cc1 ZINC001292457249 1065179097 /nfs/dbraw/zinc/17/90/97/1065179097.db2.gz JGLSTMUDRMIFOY-LJQANCHMSA-N 1 0 486.418 2.837 20 0 JFADRO CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)C(=O)[C@H]2C)[NH+](C)C)cc1 ZINC001292457986 1065180233 /nfs/dbraw/zinc/18/02/33/1065180233.db2.gz MYBLRCIJFPTDPM-OFNKIYASSA-N 1 0 497.688 2.975 20 0 JFADRO CCc1ccc([C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(N)=O)CC2)[NH+](C)C)cc1 ZINC001292458761 1065183009 /nfs/dbraw/zinc/18/30/09/1065183009.db2.gz BMTBSUQBEFQEOE-HSZRJFAPSA-N 1 0 478.645 2.707 20 0 JFADRO CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)[NH+](C)C)cc1 ZINC001292459706 1065185383 /nfs/dbraw/zinc/18/53/83/1065185383.db2.gz FMPWDFHELBOCGB-SMIHKQSGSA-N 1 0 464.614 2.979 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)[NH+](C)C)cc1 ZINC001292459643 1065185434 /nfs/dbraw/zinc/18/54/34/1065185434.db2.gz DHAHIAOITIEZSO-GMAHTHKFSA-N 1 0 454.619 2.752 20 0 JFADRO CCc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001292459804 1065186065 /nfs/dbraw/zinc/18/60/65/1065186065.db2.gz DZSFBASJYRYJHD-VGOFRKELSA-N 1 0 465.689 2.814 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)NC)C2)[NH+](C)C)cc1 ZINC001292460536 1065188370 /nfs/dbraw/zinc/18/83/70/1065188370.db2.gz IHBQDVFWEBPPBP-BHDDXSALSA-N 1 0 454.619 2.957 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)[NH+](C)C)cc1 ZINC001292462385 1065191528 /nfs/dbraw/zinc/19/15/28/1065191528.db2.gz RXSVMNUYORSNRY-DHIUTWEWSA-N 1 0 468.646 3.000 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC001292463976 1065193399 /nfs/dbraw/zinc/19/33/99/1065193399.db2.gz ZHYPRKKPWPRHHU-MLCQCVOFSA-N 1 0 484.645 2.569 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1=NOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001292465007 1065193504 /nfs/dbraw/zinc/19/35/04/1065193504.db2.gz STCCSHILWDPWHZ-UHFFFAOYSA-N 1 0 450.967 2.996 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001292469978 1065195931 /nfs/dbraw/zinc/19/59/31/1065195931.db2.gz CKZXMESHGBKHAT-OALUTQOASA-N 1 0 450.461 2.566 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 ZINC001292470767 1065197175 /nfs/dbraw/zinc/19/71/75/1065197175.db2.gz OCPIVVGCESQPBI-QHCPKHFHSA-N 1 0 453.530 2.692 20 0 JFADRO CCc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC001292475464 1065200218 /nfs/dbraw/zinc/20/02/18/1065200218.db2.gz VRBBIIWJXXDKDQ-FQEVSTJZSA-N 1 0 462.664 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@H](C)[C@H]([N@@H+]4CCCN(C(C)=O)CC4)C3)n2CC(C)(C)O)cc1 ZINC001292479740 1065203721 /nfs/dbraw/zinc/20/37/21/1065203721.db2.gz TUJZQIJOTOBXCQ-WMZHIEFXSA-N 1 0 468.646 2.657 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@H]([N@@H+]4CCCN(C(C)=O)CC4)[C@@H](C)C3)n2CCOC)cc1 ZINC001292479774 1065204287 /nfs/dbraw/zinc/20/42/87/1065204287.db2.gz UOWAIVUEKAEJDE-CVDCTZTESA-N 1 0 454.619 2.533 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C(=O)NCCOC)CC3)n2CC[N@@H+]2CCC[C@H]2C)cc1 ZINC001292483949 1065205597 /nfs/dbraw/zinc/20/55/97/1065205597.db2.gz FPFAEHKPVISVAD-HXUWFJFHSA-N 1 0 468.646 2.971 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001292484483 1065206040 /nfs/dbraw/zinc/20/60/40/1065206040.db2.gz JNUXHMZSULQMTG-MAUKXSAKSA-N 1 0 452.525 2.962 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H]2CCCN2S(C)(=O)=O)cc1 ZINC001292484737 1065206370 /nfs/dbraw/zinc/20/63/70/1065206370.db2.gz GLCOERADXDGBHO-WOIUINJBSA-N 1 0 474.675 2.850 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001292488550 1065209624 /nfs/dbraw/zinc/20/96/24/1065209624.db2.gz NLFGHQAJUDOFQL-OPYAIIAOSA-N 1 0 454.619 2.707 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001292488551 1065209696 /nfs/dbraw/zinc/20/96/96/1065209696.db2.gz NLFGHQAJUDOFQL-UEXGIBASSA-N 1 0 454.619 2.707 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001292494876 1065212592 /nfs/dbraw/zinc/21/25/92/1065212592.db2.gz KTTSEOKCJMHYCK-HSZRJFAPSA-N 1 0 468.646 2.956 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(CC(=O)NC)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cc1 ZINC001292495259 1065213262 /nfs/dbraw/zinc/21/32/62/1065213262.db2.gz RYLJFDJOTAHDKD-HXUWFJFHSA-N 1 0 468.646 2.828 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNC(C)=O)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC001292507164 1065224577 /nfs/dbraw/zinc/22/45/77/1065224577.db2.gz IVUKNNNTRXGTFO-QPPBQGQZSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2C[C@H](COC)OC)cc1 ZINC001292512928 1065231237 /nfs/dbraw/zinc/23/12/37/1065231237.db2.gz XPSQVDGQFNITGH-FYYLOGMGSA-N 1 0 457.619 2.718 20 0 JFADRO CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001292512971 1065231644 /nfs/dbraw/zinc/23/16/44/1065231644.db2.gz YWXBLSAGIYDASM-HSZRJFAPSA-N 1 0 495.672 2.509 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2C[C@@](C)(O)c2ccco2)cc1 ZINC001292513810 1065234457 /nfs/dbraw/zinc/23/44/57/1065234457.db2.gz OBKCRUHZBADUFK-HHHXNRCGSA-N 1 0 494.640 2.999 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2C[C@H](CC)OC)cc1 ZINC001292513780 1065234489 /nfs/dbraw/zinc/23/44/89/1065234489.db2.gz NKEUQCILOCOIKB-FCHUYYIVSA-N 1 0 454.619 2.675 20 0 JFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001292514511 1065235460 /nfs/dbraw/zinc/23/54/60/1065235460.db2.gz GAWLFQCWQBCEAZ-ZIAGYGMSSA-N 1 0 455.378 2.551 20 0 JFADRO O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001292514507 1065235547 /nfs/dbraw/zinc/23/55/47/1065235547.db2.gz GAWLFQCWQBCEAZ-KGLIPLIRSA-N 1 0 455.378 2.551 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CCCNC(=O)C(C)C)cc1 ZINC001292517379 1065238542 /nfs/dbraw/zinc/23/85/42/1065238542.db2.gz AJKLLQYLTQUCKL-UHFFFAOYSA-N 1 0 468.646 2.971 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2C[C@H]2CC[N@H+](CC)C2)cc1 ZINC001292518158 1065241381 /nfs/dbraw/zinc/24/13/81/1065241381.db2.gz OBBNZVDKLDWICR-GMAHTHKFSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001292520348 1065244915 /nfs/dbraw/zinc/24/49/15/1065244915.db2.gz HEGHVZDVNPSJGW-UHFFFAOYSA-N 1 0 454.619 2.534 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001292520452 1065245520 /nfs/dbraw/zinc/24/55/20/1065245520.db2.gz JSDSXBNLHBZYPY-OAQYLSRUSA-N 1 0 470.662 2.775 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[N@H+](CCOC)[C@H](CC)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001292520466 1065245961 /nfs/dbraw/zinc/24/59/61/1065245961.db2.gz KFLXTPCALXDMDU-PXDATVDWSA-N 1 0 454.619 2.533 20 0 JFADRO C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001292521207 1065247380 /nfs/dbraw/zinc/24/73/80/1065247380.db2.gz DGUAEBSYJNCUNR-DZFGPLHGSA-N 1 0 458.603 2.829 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001292524090 1065248669 /nfs/dbraw/zinc/24/86/69/1065248669.db2.gz AMEHTSZTIATVDH-KNQAVFIVSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC001292524944 1065250408 /nfs/dbraw/zinc/25/04/08/1065250408.db2.gz AKODPTAMTVXOPU-DHIUTWEWSA-N 1 0 468.646 2.969 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC[N@@H+](CC)CCC(F)(F)F)cc1 ZINC001292525035 1065250839 /nfs/dbraw/zinc/25/08/39/1065250839.db2.gz OMZJLWANBKZACH-LJQANCHMSA-N 1 0 479.551 2.996 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@]4(CCO[C@H]4C)C3)n2CCC[N@H+](C)CCOC)cc1 ZINC001292528147 1065254181 /nfs/dbraw/zinc/25/41/81/1065254181.db2.gz PMFOBHFKYGTWOY-CPJSRVTESA-N 1 0 457.619 2.860 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@@H](COC)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292529770 1065255569 /nfs/dbraw/zinc/25/55/69/1065255569.db2.gz WSUUZBVPYRNVIB-JOCHJYFZSA-N 1 0 457.619 2.594 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001292534964 1065258044 /nfs/dbraw/zinc/25/80/44/1065258044.db2.gz RCWSVDJFDBKVMY-RJGXRXQPSA-N 1 0 457.619 2.714 20 0 JFADRO CCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC001292552461 1065270094 /nfs/dbraw/zinc/27/00/94/1065270094.db2.gz UDHCKKLNFXSUSW-IRXDYDNUSA-N 1 0 466.677 2.625 20 0 JFADRO CCc1ccccc1NC(=O)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292578803 1065292066 /nfs/dbraw/zinc/29/20/66/1065292066.db2.gz POLLJCANMXYYHM-WIYYLYMNSA-N 1 0 467.618 2.598 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CC[NH+]1CCCC1 ZINC001292586586 1065302407 /nfs/dbraw/zinc/30/24/07/1065302407.db2.gz IYKSPRYAJNMHLM-OAQYLSRUSA-N 1 0 454.619 2.820 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292589135 1065304599 /nfs/dbraw/zinc/30/45/99/1065304599.db2.gz HYTCXLKWHVCUKJ-FUPPJEDESA-N 1 0 498.672 2.976 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292589134 1065304668 /nfs/dbraw/zinc/30/46/68/1065304668.db2.gz HYTCXLKWHVCUKJ-FUDKSRODSA-N 1 0 498.672 2.976 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001292590142 1065307497 /nfs/dbraw/zinc/30/74/97/1065307497.db2.gz FWWDRYJHKMMEHA-LJQANCHMSA-N 1 0 486.686 2.914 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1C[C@@H](C)[NH+](CC)CC ZINC001292601074 1065323769 /nfs/dbraw/zinc/32/37/69/1065323769.db2.gz POCKKRMOQWWDNL-LJQANCHMSA-N 1 0 497.644 2.670 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292610829 1065339607 /nfs/dbraw/zinc/33/96/07/1065339607.db2.gz VLLPKYUCOSKWQV-PMACEKPBSA-N 1 0 484.645 2.586 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)COC ZINC001292610983 1065340495 /nfs/dbraw/zinc/34/04/95/1065340495.db2.gz ZEJNGWDBGOBJMB-JOCHJYFZSA-N 1 0 498.672 2.835 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[N@@H+](C)[C@H](C)CC ZINC001292614170 1065342487 /nfs/dbraw/zinc/34/24/87/1065342487.db2.gz DASVBFJTTKXMTQ-CTNGQTDRSA-N 1 0 469.634 2.706 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@H](C(=O)NC)C2)n1CC[N@H+](C)C1CCCCC1 ZINC001292614253 1065343199 /nfs/dbraw/zinc/34/31/99/1065343199.db2.gz FXPOOPOJOPZEJJ-QHCPKHFHSA-N 1 0 484.645 2.635 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCOC(C)(C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292615048 1065346867 /nfs/dbraw/zinc/34/68/67/1065346867.db2.gz QRMPPRAVNCZTBH-QFIPXVFZSA-N 1 0 498.672 2.977 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@H](C)[NH+](C)C ZINC001292615140 1065347427 /nfs/dbraw/zinc/34/74/27/1065347427.db2.gz OAOXCFOQIVPIFL-SFHVURJKSA-N 1 0 468.581 2.625 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN3CCOC[C@@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001292616048 1065350018 /nfs/dbraw/zinc/35/00/18/1065350018.db2.gz XTAGRIXMDYXSGV-QFIPXVFZSA-N 1 0 456.635 2.671 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCN(C)C(=O)[C@@H]2C)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001292616319 1065350582 /nfs/dbraw/zinc/35/05/82/1065350582.db2.gz TTWODGWIWVDDLE-ICSRJNTNSA-N 1 0 466.586 2.982 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292620248 1065357731 /nfs/dbraw/zinc/35/77/31/1065357731.db2.gz ZZKLAJVHEZYTQL-XUZZJYLKSA-N 1 0 498.672 2.881 20 0 JFADRO CCc1cnc(CN(C)c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)s1 ZINC001292639816 1065375832 /nfs/dbraw/zinc/37/58/32/1065375832.db2.gz LYGGLKVXEJVJAH-LJQANCHMSA-N 1 0 456.620 2.747 20 0 JFADRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)CC1 ZINC001292660887 1065397890 /nfs/dbraw/zinc/39/78/90/1065397890.db2.gz OIDCOHOTJIFNPF-HOTGVXAUSA-N 1 0 453.509 2.935 20 0 JFADRO COc1ccc(-c2cc(C(=O)N3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)nn2C)cc1OC ZINC001292663517 1065398970 /nfs/dbraw/zinc/39/89/70/1065398970.db2.gz YDODNQRWRLIULZ-RTBURBONSA-N 1 0 455.603 2.735 20 0 JFADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)s1 ZINC001292670694 1065411338 /nfs/dbraw/zinc/41/13/38/1065411338.db2.gz UCFQADWDDJSVNC-HZPDHXFCSA-N 1 0 483.708 2.897 20 0 JFADRO CC[NH+](CC)CCOc1cc(NC(=O)c2c[nH]nc2I)ccc1OC ZINC001292688536 1065433927 /nfs/dbraw/zinc/43/39/27/1065433927.db2.gz QCXIGRFMYGBQRP-UHFFFAOYSA-N 1 0 458.300 2.996 20 0 JFADRO CCc1nc(CCn2c(CCc3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)no1 ZINC001292717746 1065473369 /nfs/dbraw/zinc/47/33/69/1065473369.db2.gz JNISKJXBRHFZRG-SFHVURJKSA-N 1 0 453.591 2.790 20 0 JFADRO CCc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)no1 ZINC001292721436 1065483634 /nfs/dbraw/zinc/48/36/34/1065483634.db2.gz SFDYCKFQGSGIKL-NNMXDRDESA-N 1 0 489.665 2.932 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001292729631 1065491951 /nfs/dbraw/zinc/49/19/51/1065491951.db2.gz WATLBHDCNFKLBY-FUHWJXTLSA-N 1 0 468.693 2.812 20 0 JFADRO CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001292743950 1065503141 /nfs/dbraw/zinc/50/31/41/1065503141.db2.gz VIWIORAVPZDWKM-MJGOQNOKSA-N 1 0 457.434 2.739 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001292769192 1065525006 /nfs/dbraw/zinc/52/50/06/1065525006.db2.gz ZKANOULUZCAJFS-WOJBJXKFSA-N 1 0 456.683 2.742 20 0 JFADRO CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001292769311 1065526097 /nfs/dbraw/zinc/52/60/97/1065526097.db2.gz SMWCCZXNMGSVKA-UHFFFAOYSA-N 1 0 463.074 2.980 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001292780360 1065539639 /nfs/dbraw/zinc/53/96/39/1065539639.db2.gz BXRQUOGTLVXTNA-ZWKOTPCHSA-N 1 0 452.607 2.536 20 0 JFADRO CCc1nnc(N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292802939 1065560496 /nfs/dbraw/zinc/56/04/96/1065560496.db2.gz RRJZGYKXIJZIBR-OALUTQOASA-N 1 0 456.591 2.963 20 0 JFADRO CCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001292813750 1065564153 /nfs/dbraw/zinc/56/41/53/1065564153.db2.gz PKCFNSHMFPXPFQ-FQEVSTJZSA-N 1 0 470.618 2.845 20 0 JFADRO CCc1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001292817145 1065566195 /nfs/dbraw/zinc/56/61/95/1065566195.db2.gz OYSVDCXIBSMHCK-DEOSSOPVSA-N 1 0 455.607 2.755 20 0 JFADRO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292875013 1065582157 /nfs/dbraw/zinc/58/21/57/1065582157.db2.gz USLPIVOQRSWONX-GOSISDBHSA-N 1 0 452.607 2.542 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCCc1cc(OC)ccc1OC ZINC001292892231 1065589817 /nfs/dbraw/zinc/58/98/17/1065589817.db2.gz BDFUZNJFXMCPNR-YKSBVNFPSA-N 1 0 498.672 2.869 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](SC)C(C)(C)C ZINC001292892896 1065591749 /nfs/dbraw/zinc/59/17/49/1065591749.db2.gz IRDKDPFEJXNHBG-YSIASYRMSA-N 1 0 450.697 2.997 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(C)cc1OC ZINC001292893120 1065592612 /nfs/dbraw/zinc/59/26/12/1065592612.db2.gz LFWNMNDSNAAIBB-KNQAVFIVSA-N 1 0 454.619 2.585 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893537 1065594759 /nfs/dbraw/zinc/59/47/59/1065594759.db2.gz PDQQFXBGXFRFIK-FXAWDEMLSA-N 1 0 494.562 2.819 20 0 JFADRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001292896116 1065596802 /nfs/dbraw/zinc/59/68/02/1065596802.db2.gz FOMWVKVHTGUKKV-UHFFFAOYSA-N 1 0 455.646 2.688 20 0 JFADRO CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC001292897915 1065597376 /nfs/dbraw/zinc/59/73/76/1065597376.db2.gz UNDFKTXWISXPEU-UHFFFAOYSA-N 1 0 451.633 2.669 20 0 JFADRO CCc1nnc(N2C[C@@H](C)OC3(CCOCC3)C2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001292909577 1065599709 /nfs/dbraw/zinc/59/97/09/1065599709.db2.gz OMOAAJUNJCZHSE-HXUWFJFHSA-N 1 0 457.619 2.798 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292924223 1065614868 /nfs/dbraw/zinc/61/48/68/1065614868.db2.gz SXSVKHDEOSPHAB-NRFANRHFSA-N 1 0 473.710 2.589 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1Cc1cc(C(C)(C)C)no1 ZINC001292925742 1065618390 /nfs/dbraw/zinc/61/83/90/1065618390.db2.gz YSPHFDPZLUDTOV-UHFFFAOYSA-N 1 0 471.650 2.993 20 0 JFADRO CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC001292934488 1065624133 /nfs/dbraw/zinc/62/41/33/1065624133.db2.gz XYKPXLMXRQWUDL-AOJNWGRGSA-N 1 0 457.615 2.941 20 0 JFADRO CCc1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292943494 1065628395 /nfs/dbraw/zinc/62/83/95/1065628395.db2.gz OELZNXWKQBSLEG-FPOVZHCZSA-N 1 0 454.619 2.786 20 0 JFADRO C[NH+]1CCN(C(C)(C)CNC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)CC1 ZINC001292955318 1065633953 /nfs/dbraw/zinc/63/39/53/1065633953.db2.gz IIRXUYDCAUAZFF-CAPFRKAQSA-N 1 0 451.600 2.542 20 0 JFADRO C[NH+]1CCC(N(Cc2ccco2)C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC001292957630 1065635404 /nfs/dbraw/zinc/63/54/04/1065635404.db2.gz MEAITRRZDWQLDB-UHFFFAOYSA-N 1 0 459.612 2.950 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2cccc3c2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001292957741 1065635435 /nfs/dbraw/zinc/63/54/35/1065635435.db2.gz DNWVWSXGUGDAJC-FQEVSTJZSA-N 1 0 458.647 2.912 20 0 JFADRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC001292958746 1065636120 /nfs/dbraw/zinc/63/61/20/1065636120.db2.gz ORTGGUHRBYYUEO-DEOSSOPVSA-N 1 0 452.599 2.738 20 0 JFADRO COc1cc(NC(=O)c2ccco2)c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1OC ZINC001292958256 1065636170 /nfs/dbraw/zinc/63/61/70/1065636170.db2.gz HVBMXDOBYZZDRS-UHFFFAOYSA-N 1 0 458.559 2.647 20 0 JFADRO CCc1nnc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292960151 1065639479 /nfs/dbraw/zinc/63/94/79/1065639479.db2.gz RBTRSSWOEYMHQG-FQEVSTJZSA-N 1 0 477.698 2.950 20 0 JFADRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 ZINC001292967086 1065646699 /nfs/dbraw/zinc/64/66/99/1065646699.db2.gz UMTJINAYBQACQI-OLZOCXBDSA-N 1 0 452.440 2.510 20 0 JFADRO C[N@@H+]1CCCN(CCCNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001292968182 1065647415 /nfs/dbraw/zinc/64/74/15/1065647415.db2.gz LCBZFYWAMAEFSR-UHFFFAOYSA-N 1 0 454.537 2.701 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1C[C@H](c1ccccc1)[NH+](CC)CC ZINC001292969918 1065649528 /nfs/dbraw/zinc/64/95/28/1065649528.db2.gz BRZRJUGNGNZQRH-OAQYLSRUSA-N 1 0 462.664 2.784 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001292970316 1065650368 /nfs/dbraw/zinc/65/03/68/1065650368.db2.gz HIUNBYSMFUZSFP-IBGZPJMESA-N 1 0 462.664 2.611 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CCc1ccc(OC)c(OC(F)F)c1 ZINC001292978227 1065658345 /nfs/dbraw/zinc/65/83/45/1065658345.db2.gz DSDODQVEVMTJLG-LJQANCHMSA-N 1 0 478.588 2.909 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292978161 1065658836 /nfs/dbraw/zinc/65/88/36/1065658836.db2.gz PMMAIEWAXRVVHY-FQEVSTJZSA-N 1 0 474.675 2.846 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292978163 1065658915 /nfs/dbraw/zinc/65/89/15/1065658915.db2.gz PMMAIEWAXRVVHY-HXUWFJFHSA-N 1 0 474.675 2.846 20 0 JFADRO CCc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001292979762 1065661394 /nfs/dbraw/zinc/66/13/94/1065661394.db2.gz WZEXANONRJYSDJ-HXUWFJFHSA-N 1 0 471.616 2.720 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001292979951 1065662967 /nfs/dbraw/zinc/66/29/67/1065662967.db2.gz ITNJOVGEUIASHZ-UHFFFAOYSA-N 1 0 469.565 2.807 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292980169 1065663800 /nfs/dbraw/zinc/66/38/00/1065663800.db2.gz LSBXZMUCWYKERP-OAQYLSRUSA-N 1 0 469.565 2.978 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292980652 1065663841 /nfs/dbraw/zinc/66/38/41/1065663841.db2.gz VOIVYQQXRDMJLI-UHFFFAOYSA-N 1 0 482.677 2.905 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292983454 1065666318 /nfs/dbraw/zinc/66/63/18/1065666318.db2.gz WKZQVHMBCNLXEO-QFIPXVFZSA-N 1 0 475.682 2.678 20 0 JFADRO CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001292985394 1065669481 /nfs/dbraw/zinc/66/94/81/1065669481.db2.gz FKVCZUYVQKQOSQ-HXUWFJFHSA-N 1 0 452.640 2.767 20 0 JFADRO CC[NH+]1CCN(CCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2cc(C)nc(Cl)c2)CC1 ZINC001292986442 1065671024 /nfs/dbraw/zinc/67/10/24/1065671024.db2.gz MHWCOSJNPCXGEI-GOSISDBHSA-N 1 0 454.015 2.753 20 0 JFADRO CCc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292986597 1065671854 /nfs/dbraw/zinc/67/18/54/1065671854.db2.gz FAHIHIJFZRYIGW-BWKNWUBXSA-N 1 0 489.064 2.621 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)CC1 ZINC001292987006 1065673193 /nfs/dbraw/zinc/67/31/93/1065673193.db2.gz OUMCEUXOAJPBJU-QGZVFWFLSA-N 1 0 455.525 2.620 20 0 JFADRO CCc1nnc(N2CCC(Nc3cc(OC)cc(OC)c3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001292987765 1065674675 /nfs/dbraw/zinc/67/46/75/1065674675.db2.gz TYILOEAFAOKQPS-LJQANCHMSA-N 1 0 472.634 2.907 20 0 JFADRO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001292991609 1065679344 /nfs/dbraw/zinc/67/93/44/1065679344.db2.gz QKWYHXSMMGAYDO-SFHVURJKSA-N 1 0 477.057 2.605 20 0 JFADRO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1 ZINC001292993139 1065680823 /nfs/dbraw/zinc/68/08/23/1065680823.db2.gz LDRJYKAOGNUKMI-QFIPXVFZSA-N 1 0 457.537 3.000 20 0 JFADRO CCc1nnc(N2CCC(OCC(N)=O)CC2)n1CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001292995920 1065684237 /nfs/dbraw/zinc/68/42/37/1065684237.db2.gz YDQOGWIRFIINQE-PZJWPPBQSA-N 1 0 454.619 2.612 20 0 JFADRO CCc1nnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293024214 1065696938 /nfs/dbraw/zinc/69/69/38/1065696938.db2.gz ZSECVNYCBDEUAY-HSALFYBXSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001293026360 1065698867 /nfs/dbraw/zinc/69/88/67/1065698867.db2.gz BAZQBFSHRWWVFV-VQTJNVASSA-N 1 0 464.655 2.892 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001293027333 1065699644 /nfs/dbraw/zinc/69/96/44/1065699644.db2.gz KUAMWICWYKFPGO-HXUWFJFHSA-N 1 0 488.702 2.785 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001293030723 1065700951 /nfs/dbraw/zinc/70/09/51/1065700951.db2.gz WZGIGHMOYWHHAA-REWPJTCUSA-N 1 0 488.702 2.785 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCc2cc(-c3ccccc3)n(C)n2)CC1=O ZINC001293031607 1065701375 /nfs/dbraw/zinc/70/13/75/1065701375.db2.gz DHEYZEBDKQLEMZ-JTHBVZDNSA-N 1 0 451.615 2.811 20 0 JFADRO CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293035555 1065704046 /nfs/dbraw/zinc/70/40/46/1065704046.db2.gz NSAGEKOXFWGMCN-WOJBJXKFSA-N 1 0 491.681 2.619 20 0 JFADRO CCc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001293048421 1065711854 /nfs/dbraw/zinc/71/18/54/1065711854.db2.gz SGLORXCFJLNSEU-TZIWHRDSSA-N 1 0 466.696 2.936 20 0 JFADRO CCc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1C[C@H](CC(C)C)[NH+](C)C ZINC001293048434 1065712338 /nfs/dbraw/zinc/71/23/38/1065712338.db2.gz SNIBTYYQIOUZIR-VQTJNVASSA-N 1 0 454.685 2.648 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)C(C)C)CC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001293060730 1065715210 /nfs/dbraw/zinc/71/52/10/1065715210.db2.gz PHBVNOZVLGPODA-UHFFFAOYSA-N 1 0 468.646 2.540 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001293069112 1065722163 /nfs/dbraw/zinc/72/21/63/1065722163.db2.gz QIXWBOMVNTZWPU-NRFANRHFSA-N 1 0 462.589 2.909 20 0 JFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001293072696 1065725247 /nfs/dbraw/zinc/72/52/47/1065725247.db2.gz RSZHWKAVNHSENA-PGRDOPGGSA-N 1 0 467.536 2.839 20 0 JFADRO CCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC001293073856 1065726069 /nfs/dbraw/zinc/72/60/69/1065726069.db2.gz ZAPXIEJRFSGIRW-UNMCSNQZSA-N 1 0 468.646 2.966 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293081399 1065730770 /nfs/dbraw/zinc/73/07/70/1065730770.db2.gz HBPFGOHJRAVVMV-ROUUACIJSA-N 1 0 460.648 2.752 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001293082152 1065731935 /nfs/dbraw/zinc/73/19/35/1065731935.db2.gz VANMOPYMUAVANK-PMACEKPBSA-N 1 0 454.619 2.877 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)CC1 ZINC001293082845 1065732741 /nfs/dbraw/zinc/73/27/41/1065732741.db2.gz YDJLVKJFQDDYFQ-UHFFFAOYSA-N 1 0 451.493 2.826 20 0 JFADRO CCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1CC1([NH+]2CCSCC2)CCCC1 ZINC001293086458 1065736113 /nfs/dbraw/zinc/73/61/13/1065736113.db2.gz NEHMANIDZCPCPA-UHFFFAOYSA-N 1 0 463.696 2.786 20 0 JFADRO CCc1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1Cc1ccc(OC)c(Br)c1 ZINC001293086877 1065736397 /nfs/dbraw/zinc/73/63/97/1065736397.db2.gz PQSCRPFTTKLGSU-UHFFFAOYSA-N 1 0 493.450 2.650 20 0 JFADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293089719 1065738951 /nfs/dbraw/zinc/73/89/51/1065738951.db2.gz QACJYYLXQIIVRJ-LJQANCHMSA-N 1 0 463.671 2.560 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001293094699 1065744142 /nfs/dbraw/zinc/74/41/42/1065744142.db2.gz NWSYPSURTGUKND-FCHUYYIVSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293097281 1065747919 /nfs/dbraw/zinc/74/79/19/1065747919.db2.gz FLTZSFSWZDIQSZ-UHFFFAOYSA-N 1 0 473.641 2.588 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001293116245 1065762402 /nfs/dbraw/zinc/76/24/02/1065762402.db2.gz KFPWLFHNKCNQKC-QFIPXVFZSA-N 1 0 459.683 2.628 20 0 JFADRO CCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCc1ccc(OC)c(OC)c1OC ZINC001293116066 1065762538 /nfs/dbraw/zinc/76/25/38/1065762538.db2.gz IYLHMXXQKUAVLS-GOSISDBHSA-N 1 0 473.618 2.799 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001293119284 1065766790 /nfs/dbraw/zinc/76/67/90/1065766790.db2.gz IXPRWKOYNHSNTL-QHCPKHFHSA-N 1 0 467.662 2.633 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](c1ccccc1)[NH+](C)C ZINC001293119616 1065767554 /nfs/dbraw/zinc/76/75/54/1065767554.db2.gz LMICBISDVOIRTL-JTHBVZDNSA-N 1 0 467.662 2.666 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293119773 1065768063 /nfs/dbraw/zinc/76/80/63/1065768063.db2.gz BWMBGRWLGJBZMF-JOCHJYFZSA-N 1 0 481.670 2.643 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001293120325 1065769672 /nfs/dbraw/zinc/76/96/72/1065769672.db2.gz QMSMMSHADVKMDO-OAQYLSRUSA-N 1 0 471.650 2.651 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001293121669 1065773674 /nfs/dbraw/zinc/77/36/74/1065773674.db2.gz UPFCIKWXGHCKOL-LVXARBLLSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001293123126 1065775713 /nfs/dbraw/zinc/77/57/13/1065775713.db2.gz FUBPMGQKHVHXDI-JOCHJYFZSA-N 1 0 454.619 2.535 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001293130897 1065782242 /nfs/dbraw/zinc/78/22/42/1065782242.db2.gz KWTGQJVYQHWVOD-GOSISDBHSA-N 1 0 450.628 2.550 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCO[C@@H]1CCCC[C@@H]1C ZINC001293131359 1065783492 /nfs/dbraw/zinc/78/34/92/1065783492.db2.gz OUVHJXNXJBFMGU-YTFSRNRJSA-N 1 0 462.683 2.667 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001293131243 1065783533 /nfs/dbraw/zinc/78/35/33/1065783533.db2.gz NEKUPRDGODHMLK-QFIPXVFZSA-N 1 0 462.589 2.593 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1Cc1ccc(OC)c(Br)c1 ZINC001293132748 1065784919 /nfs/dbraw/zinc/78/49/19/1065784919.db2.gz YNIMWAKTISONBT-QGZVFWFLSA-N 1 0 464.408 2.818 20 0 JFADRO CCc1nnc(N2CCN(CCOc3cccc(OC)c3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293139071 1065789806 /nfs/dbraw/zinc/78/98/06/1065789806.db2.gz YMHGMKXKLZBVNS-UHFFFAOYSA-N 1 0 488.702 2.878 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CCCC[N@@H+]1CCCC[C@@H]1C ZINC001293139412 1065790201 /nfs/dbraw/zinc/79/02/01/1065790201.db2.gz RPZXKEPDZJRNQF-SFHVURJKSA-N 1 0 495.719 2.771 20 0 JFADRO CN(CC1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001293157707 1065796746 /nfs/dbraw/zinc/79/67/46/1065796746.db2.gz HVJZGXAIVSTUOE-SFHVURJKSA-N 1 0 456.628 2.937 20 0 JFADRO CCc1nnc(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(=O)OC)C2)n1CC[N@H+]1CCCC[C@H]1CC ZINC001293178733 1065803455 /nfs/dbraw/zinc/80/34/55/1065803455.db2.gz XSMAGBRKMSRMAJ-VAMGGRTRSA-N 1 0 492.665 2.855 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293185332 1065809918 /nfs/dbraw/zinc/80/99/18/1065809918.db2.gz QJXMLTMYBCSSSA-ZCNNSNEGSA-N 1 0 474.654 2.587 20 0 JFADRO CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001293188706 1065813522 /nfs/dbraw/zinc/81/35/22/1065813522.db2.gz MXRKBYVYNBXRCK-JKSUJKDBSA-N 1 0 452.563 2.751 20 0 JFADRO CCc1noc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001293188704 1065813611 /nfs/dbraw/zinc/81/36/11/1065813611.db2.gz MXRKBYVYNBXRCK-HOTGVXAUSA-N 1 0 452.563 2.751 20 0 JFADRO CCc1noc(C)c1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001293192681 1065821080 /nfs/dbraw/zinc/82/10/80/1065821080.db2.gz WXLQGKIPOQWCJT-UHFFFAOYSA-N 1 0 472.615 2.786 20 0 JFADRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(I)c(O)c2)cc1 ZINC001293204029 1065831500 /nfs/dbraw/zinc/83/15/00/1065831500.db2.gz TVDTVIVNJQUPIO-UHFFFAOYSA-N 1 0 454.308 2.910 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC001293204177 1065831674 /nfs/dbraw/zinc/83/16/74/1065831674.db2.gz ZIXNKXCOGKVSIG-UHFFFAOYSA-N 1 0 458.356 2.833 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H](C(CC)CC)[NH+](C)C)CC2)n1 ZINC001293209430 1065844932 /nfs/dbraw/zinc/84/49/32/1065844932.db2.gz YQNXCENXIIJJQX-RBUKOAKNSA-N 1 0 476.695 2.889 20 0 JFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210314 1065846055 /nfs/dbraw/zinc/84/60/55/1065846055.db2.gz BHXQKCOJUMCHMD-JXFKEZNVSA-N 1 0 453.414 2.883 20 0 JFADRO C[NH+]1CCC(N2CC[C@H](NC(=O)CCC[S@@](=O)c3ccc(Br)cc3)C2)CC1 ZINC001293210949 1065846511 /nfs/dbraw/zinc/84/65/11/1065846511.db2.gz KNJWXTFHJCAZSH-CBZJRKILSA-N 1 0 456.450 2.622 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001293214577 1065848128 /nfs/dbraw/zinc/84/81/28/1065848128.db2.gz ABMLLMORUNVGFE-DYESRHJHSA-N 1 0 467.618 2.594 20 0 JFADRO Cc1c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)sc2nc(C)nc(N)c12 ZINC001293215786 1065853350 /nfs/dbraw/zinc/85/33/50/1065853350.db2.gz WBGIYPKRJUHLOQ-QGZVFWFLSA-N 1 0 452.584 2.518 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([NH+](C)C)CCCC1 ZINC001293216115 1065853831 /nfs/dbraw/zinc/85/38/31/1065853831.db2.gz ASTXEEHOFIYILC-SFHVURJKSA-N 1 0 486.617 2.560 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293216338 1065854758 /nfs/dbraw/zinc/85/47/58/1065854758.db2.gz HFRMPKJJQXIMDQ-IRLDBZIGSA-N 1 0 481.645 2.982 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCO4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293216510 1065855438 /nfs/dbraw/zinc/85/54/38/1065855438.db2.gz ILEABCBMLADIET-ZWKOTPCHSA-N 1 0 462.668 2.846 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Cl)cc2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001293219201 1065865565 /nfs/dbraw/zinc/86/55/65/1065865565.db2.gz UZCIVPPTMGWJAB-NQIIRXRSSA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1 ZINC001293219693 1065867083 /nfs/dbraw/zinc/86/70/83/1065867083.db2.gz OYHUEWQIBIPCBJ-QGZVFWFLSA-N 1 0 478.439 2.635 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293219927 1065868253 /nfs/dbraw/zinc/86/82/53/1065868253.db2.gz XXQCRGAPAFEMMK-GXTWGEPZSA-N 1 0 467.437 2.967 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[NH+](CC)CC ZINC001293220221 1065870494 /nfs/dbraw/zinc/87/04/94/1065870494.db2.gz STTITOKYTOFHLD-FQEVSTJZSA-N 1 0 455.607 2.594 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001293226532 1065878768 /nfs/dbraw/zinc/87/87/68/1065878768.db2.gz AUPJHMJVRIWZFB-VQTJNVASSA-N 1 0 470.618 2.940 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC[NH+]1CCCC1 ZINC001293226721 1065878899 /nfs/dbraw/zinc/87/88/99/1065878899.db2.gz BZIPSFGTFOIXCT-HXUWFJFHSA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001293230340 1065887138 /nfs/dbraw/zinc/88/71/38/1065887138.db2.gz KHCBZMUFMSPVQI-XLIONFOSSA-N 1 0 450.591 2.523 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293238408 1065894008 /nfs/dbraw/zinc/89/40/08/1065894008.db2.gz FCUXZKCNJYNOJF-TZIWHRDSSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293240439 1065897867 /nfs/dbraw/zinc/89/78/67/1065897867.db2.gz ZDDQREGGRQJERI-QFIPXVFZSA-N 1 0 453.635 2.737 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001293240474 1065898444 /nfs/dbraw/zinc/89/84/44/1065898444.db2.gz ZYVJFJXYOYGHGV-UTKZUKDTSA-N 1 0 460.573 2.984 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001293241726 1065901256 /nfs/dbraw/zinc/90/12/56/1065901256.db2.gz FGVIXPVXIFPGPH-GBXCKJPGSA-N 1 0 472.659 2.626 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001293242570 1065904624 /nfs/dbraw/zinc/90/46/24/1065904624.db2.gz SJIDEDTZBCDNSZ-NRFANRHFSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2cccc(C)c2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293243294 1065905851 /nfs/dbraw/zinc/90/58/51/1065905851.db2.gz QQGAMNTVQRMEGU-PMACEKPBSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293243627 1065906651 /nfs/dbraw/zinc/90/66/51/1065906651.db2.gz AFGAGUUAXJUAIN-GCJKJVERSA-N 1 0 479.050 2.663 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CCOc2ccccc2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293243647 1065907092 /nfs/dbraw/zinc/90/70/92/1065907092.db2.gz XIBOSLTZKFZLTR-NRFANRHFSA-N 1 0 454.619 2.879 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(SC)CC[NH+](C)CC1 ZINC001293245102 1065909445 /nfs/dbraw/zinc/90/94/45/1065909445.db2.gz FGTDXPOOTYZNDK-GUDVDZBRSA-N 1 0 478.707 2.739 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293248055 1065914096 /nfs/dbraw/zinc/91/40/96/1065914096.db2.gz VSVYXSVEOWEJET-LJQANCHMSA-N 1 0 458.582 2.976 20 0 JFADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CC[NH+](CC)CC1 ZINC001293250077 1065915164 /nfs/dbraw/zinc/91/51/64/1065915164.db2.gz FTGHBTREXHLSGL-VQTJNVASSA-N 1 0 454.623 2.578 20 0 JFADRO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001293253033 1065917243 /nfs/dbraw/zinc/91/72/43/1065917243.db2.gz SYQKSKMQUGIAGZ-RTWAWAEBSA-N 1 0 468.650 2.968 20 0 JFADRO CN(C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001293255442 1065920076 /nfs/dbraw/zinc/92/00/76/1065920076.db2.gz UWFVFAXTXVHDCW-IBGZPJMESA-N 1 0 456.978 2.623 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001293260700 1065923856 /nfs/dbraw/zinc/92/38/56/1065923856.db2.gz ZQUBBMRYYGAZOK-UAFMIMERSA-N 1 0 454.685 2.881 20 0 JFADRO O=C(CCCSc1ccc(Br)cc1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001293284859 1065932945 /nfs/dbraw/zinc/93/29/45/1065932945.db2.gz ZJSXDWIAOBICLC-GOSISDBHSA-N 1 0 456.450 2.844 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001293298504 1065939293 /nfs/dbraw/zinc/93/92/93/1065939293.db2.gz QRRBQYPBJVYTOQ-CNNODRBYSA-N 1 0 474.675 2.962 20 0 JFADRO CC[C@@H]1C[C@@H](C)CN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(=O)NCC(F)F ZINC001293323588 1065948956 /nfs/dbraw/zinc/94/89/56/1065948956.db2.gz FLZYKWPKNZSSQU-WOJBJXKFSA-N 1 0 489.615 2.649 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293329583 1065951042 /nfs/dbraw/zinc/95/10/42/1065951042.db2.gz IGCQRBKACODTKG-CUUWFGFTSA-N 1 0 476.666 2.570 20 0 JFADRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC001293331633 1065952382 /nfs/dbraw/zinc/95/23/82/1065952382.db2.gz AXLGGBDPEYVXRS-SFHVURJKSA-N 1 0 459.568 2.863 20 0 JFADRO NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC001293339178 1065955603 /nfs/dbraw/zinc/95/56/03/1065955603.db2.gz IOLVPLGQOPEZCB-UHFFFAOYSA-N 1 0 455.939 2.531 20 0 JFADRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001293352622 1065961038 /nfs/dbraw/zinc/96/10/38/1065961038.db2.gz YBFSTDDQJIHYSB-MOPGFXCFSA-N 1 0 452.640 2.909 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001293359323 1065963826 /nfs/dbraw/zinc/96/38/26/1065963826.db2.gz MWFLJYMKKOPOBT-FQEVSTJZSA-N 1 0 496.660 2.885 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 ZINC001293361666 1065965464 /nfs/dbraw/zinc/96/54/64/1065965464.db2.gz AYSOAGNHNSJCAT-MRXNPFEDSA-N 1 0 464.412 2.627 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)CC1 ZINC001293362091 1065965922 /nfs/dbraw/zinc/96/59/22/1065965922.db2.gz CUSXBDQGEGQQGU-JQVVWYNYSA-N 1 0 470.684 2.548 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363047 1065966721 /nfs/dbraw/zinc/96/67/21/1065966721.db2.gz GNDXOVDKXBNWIV-RBUKOAKNSA-N 1 0 470.684 2.547 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC(C)C)CC1 ZINC001293363048 1065966754 /nfs/dbraw/zinc/96/67/54/1065966754.db2.gz GNDXOVDKXBNWIV-RTBURBONSA-N 1 0 470.684 2.547 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccnc2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC001293363786 1065967464 /nfs/dbraw/zinc/96/74/64/1065967464.db2.gz AFQWMNDJVDANCS-AKIFATBCSA-N 1 0 483.661 2.972 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001293363980 1065967863 /nfs/dbraw/zinc/96/78/63/1065967863.db2.gz LDNJEICTDNWCMX-NRFANRHFSA-N 1 0 471.650 2.758 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293365104 1065969804 /nfs/dbraw/zinc/96/98/04/1065969804.db2.gz JTABOKKVUOVGQA-RBUKOAKNSA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001293365208 1065970073 /nfs/dbraw/zinc/97/00/73/1065970073.db2.gz SBTZZQOHDZEKEQ-VQTJNVASSA-N 1 0 461.010 2.814 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001293368943 1065971933 /nfs/dbraw/zinc/97/19/33/1065971933.db2.gz AIBPKJVNVRDKFI-SJORKVTESA-N 1 0 482.555 2.882 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001293366650 1065972031 /nfs/dbraw/zinc/97/20/31/1065972031.db2.gz XTONYMVKNMEVLH-FGZHOGPDSA-N 1 0 454.619 2.859 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369281 1065972596 /nfs/dbraw/zinc/97/25/96/1065972596.db2.gz CXVOWFSWVCCMMW-VQTJNVASSA-N 1 0 461.655 2.677 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 ZINC001293369567 1065973379 /nfs/dbraw/zinc/97/33/79/1065973379.db2.gz IELQRVUGWJPXOT-HBMCJLEFSA-N 1 0 482.695 2.502 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001293370372 1065973589 /nfs/dbraw/zinc/97/35/89/1065973589.db2.gz AWHROHCAJBHPNI-ORFBVSJDSA-N 1 0 473.666 2.549 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001293371317 1065974138 /nfs/dbraw/zinc/97/41/38/1065974138.db2.gz DWKNNJKLDKFXHF-FQEVSTJZSA-N 1 0 456.639 2.652 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)(F)C1 ZINC001293373468 1065977545 /nfs/dbraw/zinc/97/75/45/1065977545.db2.gz QXWYEECKSIRLRW-QZTJIDSGSA-N 1 0 459.607 2.926 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001293373422 1065977592 /nfs/dbraw/zinc/97/75/92/1065977592.db2.gz PZLULYLXQBKZSH-ICSRJNTNSA-N 1 0 452.669 2.528 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001293373836 1065978906 /nfs/dbraw/zinc/97/89/06/1065978906.db2.gz RZDSIDBTYWITDO-AQNXPRMDSA-N 1 0 489.665 2.987 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293374256 1065980197 /nfs/dbraw/zinc/98/01/97/1065980197.db2.gz VKVJMSHHMTUBFV-QFIPXVFZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374647 1065980781 /nfs/dbraw/zinc/98/07/81/1065980781.db2.gz ZGFDCMPAWPAWMD-DHIUTWEWSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 ZINC001293379502 1065984135 /nfs/dbraw/zinc/98/41/35/1065984135.db2.gz QXJRSNOFRKKDRB-IBGZPJMESA-N 1 0 461.632 2.699 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293380073 1065984962 /nfs/dbraw/zinc/98/49/62/1065984962.db2.gz VRTRJCCBYSEUJJ-TZBSWOFLSA-N 1 0 476.666 2.688 20 0 JFADRO CC[C@H]1CCCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCOCC[NH+](C)C)C1 ZINC001293384458 1065985810 /nfs/dbraw/zinc/98/58/10/1065985810.db2.gz GWDQTRYXRKMDEC-IBGZPJMESA-N 1 0 477.679 2.751 20 0 JFADRO CC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001293388089 1065989258 /nfs/dbraw/zinc/98/92/58/1065989258.db2.gz YJJRSQNCKZNVPB-SJORKVTESA-N 1 0 466.677 2.635 20 0 JFADRO CC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001293388088 1065989398 /nfs/dbraw/zinc/98/93/98/1065989398.db2.gz YJJRSQNCKZNVPB-IRXDYDNUSA-N 1 0 466.677 2.635 20 0 JFADRO CC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001293404540 1065995664 /nfs/dbraw/zinc/99/56/64/1065995664.db2.gz RLJCOLSNAGTWTB-RBUKOAKNSA-N 1 0 467.680 2.696 20 0 JFADRO CCOc1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC001293422002 1066002345 /nfs/dbraw/zinc/00/23/45/1066002345.db2.gz FQNZQSHJBCKEIP-UHFFFAOYSA-N 1 0 453.543 2.670 20 0 JFADRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3cc(C(=O)N4CCOCC4)ccc3C)CC2)c1 ZINC001293443585 1066008773 /nfs/dbraw/zinc/00/87/73/1066008773.db2.gz WZLKLORLZPCIIC-UHFFFAOYSA-N 1 0 450.583 2.927 20 0 JFADRO CCC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC001293445977 1066009279 /nfs/dbraw/zinc/00/92/79/1066009279.db2.gz PWJAKGRSULDBLD-UHFFFAOYSA-N 1 0 468.650 2.628 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001293462351 1066015494 /nfs/dbraw/zinc/01/54/94/1066015494.db2.gz JVVKJERGVNATJH-FQEVSTJZSA-N 1 0 488.702 2.859 20 0 JFADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001293464237 1066016822 /nfs/dbraw/zinc/01/68/22/1066016822.db2.gz QLONHBKPYNFVTR-JPYJTQIMSA-N 1 0 492.715 2.869 20 0 JFADRO CCC1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+](C)CCOC)CC1 ZINC001293486222 1066023747 /nfs/dbraw/zinc/02/37/47/1066023747.db2.gz XJQIWRUTBFKZLV-FQEVSTJZSA-N 1 0 480.654 2.791 20 0 JFADRO CC[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293496762 1066026190 /nfs/dbraw/zinc/02/61/90/1066026190.db2.gz NDJGARMWMPNKHZ-SFHVURJKSA-N 1 0 460.648 2.741 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(Cl)c2)CC[N@@H+]1CCOC ZINC001293505197 1066028756 /nfs/dbraw/zinc/02/87/56/1066028756.db2.gz FMWHQMDZMQUGHO-SFHVURJKSA-N 1 0 479.000 2.902 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)s2)CC[N@@H+]1CCOC ZINC001293505844 1066029162 /nfs/dbraw/zinc/02/91/62/1066029162.db2.gz JLGWMFKWZMMFCD-INIZCTEOSA-N 1 0 467.039 2.824 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)CC[N@@H+]1CCOC ZINC001293506143 1066029722 /nfs/dbraw/zinc/02/97/22/1066029722.db2.gz BDKLMKBOERZXEQ-MOPGFXCFSA-N 1 0 464.680 2.593 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2F)CC[N@@H+]1CCOC ZINC001293507074 1066031042 /nfs/dbraw/zinc/03/10/42/1066031042.db2.gz RIJGHGDHTLHHKS-LJQANCHMSA-N 1 0 479.000 2.902 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001293507257 1066031651 /nfs/dbraw/zinc/03/16/51/1066031651.db2.gz AGFWRDCWCNEDIA-UGKGYDQZSA-N 1 0 493.612 2.574 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CSC)c2)CC[N@@H+]1CCOC ZINC001293508007 1066032345 /nfs/dbraw/zinc/03/23/45/1066032345.db2.gz UZCJIWREECMUNB-QFIPXVFZSA-N 1 0 486.686 2.972 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccs2)CC[N@@H+]1CCOC ZINC001293510488 1066035548 /nfs/dbraw/zinc/03/55/48/1066035548.db2.gz OXYCEMQCWMFAFV-QGZVFWFLSA-N 1 0 455.588 2.582 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC001293511365 1066037299 /nfs/dbraw/zinc/03/72/99/1066037299.db2.gz VUNBYIHAQXBXNV-SIKLNZKXSA-N 1 0 454.619 2.868 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC[N@@H+]1CCOC ZINC001293518566 1066040946 /nfs/dbraw/zinc/04/09/46/1066040946.db2.gz HFLWOXXMIBFQLU-HXUWFJFHSA-N 1 0 452.607 2.752 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001293530045 1066049394 /nfs/dbraw/zinc/04/93/94/1066049394.db2.gz CNFLGUVNSWKAOK-FFHOAYQKSA-N 1 0 479.666 2.681 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001293538855 1066056260 /nfs/dbraw/zinc/05/62/60/1066056260.db2.gz HNYBESREGASMJF-SIKLNZKXSA-N 1 0 477.053 2.724 20 0 JFADRO 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CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)C2CCCCC2)CC[N@@H+]1CCOC ZINC001293571958 1066083634 /nfs/dbraw/zinc/08/36/34/1066083634.db2.gz PJCRFXGSXKBBIA-IBGZPJMESA-N 1 0 457.623 2.611 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)cc2)CC[N@@H+]1CCOC ZINC001293572708 1066084515 /nfs/dbraw/zinc/08/45/15/1066084515.db2.gz SWUHHMCXFONAAY-JOCHJYFZSA-N 1 0 465.602 2.837 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC[NH+](C)C)CCS1 ZINC001293575672 1066086244 /nfs/dbraw/zinc/08/62/44/1066086244.db2.gz OWKIHYAXDGHNJJ-FQEVSTJZSA-N 1 0 455.632 2.999 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H](C)O1 ZINC001293576253 1066086567 /nfs/dbraw/zinc/08/65/67/1066086567.db2.gz QXGCRFNJMXQUAU-GHTZIAJQSA-N 1 0 453.591 2.671 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001293576525 1066087128 /nfs/dbraw/zinc/08/71/28/1066087128.db2.gz ALACXAOIBHOPGU-GUDVDZBRSA-N 1 0 477.679 2.972 20 0 JFADRO 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CCC[C@H](C)C(=O)NCCn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001293856704 1066364115 /nfs/dbraw/zinc/36/41/15/1066364115.db2.gz OEDLKYFNXNFOEN-QFIPXVFZSA-N 1 0 496.704 2.887 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293861743 1066370901 /nfs/dbraw/zinc/37/09/01/1066370901.db2.gz GOXNUKFIKGNGCR-ZRBLBEILSA-N 1 0 489.709 2.677 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)C1 ZINC001293937019 1066420843 /nfs/dbraw/zinc/42/08/43/1066420843.db2.gz OGDWHBNQIASISK-OALUTQOASA-N 1 0 454.623 2.741 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+](C)C2CC2)C1 ZINC001293937439 1066421656 /nfs/dbraw/zinc/42/16/56/1066421656.db2.gz PCIGTBPFSUDPRP-GBESFXJTSA-N 1 0 454.623 2.739 20 0 JFADRO CCC[C@H](C)NC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+](C)C2CC2)C1 ZINC001293937449 1066421677 /nfs/dbraw/zinc/42/16/77/1066421677.db2.gz PCIGTBPFSUDPRP-OTWHNJEPSA-N 1 0 454.623 2.739 20 0 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CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2)CC[N@@H+]1CCOC ZINC001294055262 1066528315 /nfs/dbraw/zinc/52/83/15/1066528315.db2.gz SQKUOQNTWRQPIJ-MOPGFXCFSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(OCC)cc3)n2C[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC001294055666 1066529255 /nfs/dbraw/zinc/52/92/55/1066529255.db2.gz FHESTTHUBPTAIH-SWHJIRTISA-N 1 0 473.618 2.889 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001294056166 1066529943 /nfs/dbraw/zinc/52/99/43/1066529943.db2.gz ZNBLRUPIHCGQOW-JOCHJYFZSA-N 1 0 472.609 2.833 20 0 JFADRO CCC[C@H]1CN(c2nnc(C)n2Cc2cccnc2OCC(F)(F)F)CC[N@@H+]1CCOC ZINC001294060169 1066532730 /nfs/dbraw/zinc/53/27/30/1066532730.db2.gz CGYZJXJYFDFKTM-SFHVURJKSA-N 1 0 456.513 2.908 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CCC2(O)CCOCC2)CC[N@@H+]1CCOC ZINC001294067018 1066537214 /nfs/dbraw/zinc/53/72/14/1066537214.db2.gz LSKWLFQGKMGXJZ-QFIPXVFZSA-N 1 0 457.619 2.814 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CC[N@@H+]1CCOC ZINC001294067279 1066537756 /nfs/dbraw/zinc/53/77/56/1066537756.db2.gz HJLQMVNLGKUJCX-JOCHJYFZSA-N 1 0 467.618 2.981 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294067411 1066538180 /nfs/dbraw/zinc/53/81/80/1066538180.db2.gz IROAOMMWDNHWGH-GOTSBHOMSA-N 1 0 484.645 2.902 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccco2)CC[N@@H+]1CCOC ZINC001294072592 1066541694 /nfs/dbraw/zinc/54/16/94/1066541694.db2.gz HCUUYLNZYMLARA-CYFREDJKSA-N 1 0 454.575 2.778 20 0 JFADRO CNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)o1 ZINC001294072858 1066542172 /nfs/dbraw/zinc/54/21/72/1066542172.db2.gz PNUGGFPVJHCGAC-MRXNPFEDSA-N 1 0 459.490 2.714 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294073140 1066542512 /nfs/dbraw/zinc/54/25/12/1066542512.db2.gz KJQZMWDJXICIKI-SFTDATJTSA-N 1 0 474.625 2.742 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294074357 1066543021 /nfs/dbraw/zinc/54/30/21/1066543021.db2.gz RMEKSDJIEPGPKT-CYFREDJKSA-N 1 0 475.659 2.759 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CC[N@@H+]1CCOC ZINC001294074358 1066543049 /nfs/dbraw/zinc/54/30/49/1066543049.db2.gz RMEKSDJIEPGPKT-DVECYGJZSA-N 1 0 475.659 2.759 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2nncn2CC)CC[N@@H+]1CCOC ZINC001294074523 1066543435 /nfs/dbraw/zinc/54/34/35/1066543435.db2.gz RZNIVLAHYOHKFT-SFHVURJKSA-N 1 0 456.570 2.681 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@]2(OC)CCOC2)CC[N@@H+]1CCOC ZINC001294074582 1066543638 /nfs/dbraw/zinc/54/36/38/1066543638.db2.gz TZDFAYXOLVONJK-NTKDMRAZSA-N 1 0 461.582 2.827 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2F)CC[N@@H+]1CCOC ZINC001294076486 1066545507 /nfs/dbraw/zinc/54/55/07/1066545507.db2.gz JMYSIXHKBZZINZ-HXUWFJFHSA-N 1 0 459.545 2.942 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001294076805 1066545950 /nfs/dbraw/zinc/54/59/50/1066545950.db2.gz LISXMOOJQALOPQ-RBUKOAKNSA-N 1 0 450.534 2.701 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001294076804 1066545997 /nfs/dbraw/zinc/54/59/97/1066545997.db2.gz LISXMOOJQALOPQ-OALUTQOASA-N 1 0 450.534 2.701 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C)c(C)s2)CC[N@@H+]1CCOC ZINC001294077380 1066546318 /nfs/dbraw/zinc/54/63/18/1066546318.db2.gz OISBZPQWZCUOHF-SFHVURJKSA-N 1 0 456.620 2.794 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2cnccc2OC)CC[N@@H+]1CCOC ZINC001294077876 1066547435 /nfs/dbraw/zinc/54/74/35/1066547435.db2.gz SZYHRQLURPAIKV-NRFANRHFSA-N 1 0 451.575 2.729 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001294078065 1066547916 /nfs/dbraw/zinc/54/79/16/1066547916.db2.gz VKJPLQFAAIMWPR-OFVILXPXSA-N 1 0 465.602 2.580 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC[N@@H+]1CCOC ZINC001294078602 1066548229 /nfs/dbraw/zinc/54/82/29/1066548229.db2.gz BKCZSBXOLXZFKD-RTWAWAEBSA-N 1 0 471.650 2.619 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC(F)(F)C2)CC[N@@H+]1CCOC ZINC001294081929 1066550266 /nfs/dbraw/zinc/55/02/66/1066550266.db2.gz IUOBVRLKJDUFSB-RCCFBDPRSA-N 1 0 454.566 2.602 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCOCC2)CC[N@@H+]1CCOC ZINC001294082195 1066550643 /nfs/dbraw/zinc/55/06/43/1066550643.db2.gz QOZCWNCBYRFYCR-UXHICEINSA-N 1 0 467.680 2.631 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2cnccc2OC)CC[N@@H+]1CCOC ZINC001294082432 1066551375 /nfs/dbraw/zinc/55/13/75/1066551375.db2.gz REKFVFBIBVNCHH-TZIWHRDSSA-N 1 0 458.607 2.561 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(C)s2)CC[N@@H+]1CCOC ZINC001294082497 1066551452 /nfs/dbraw/zinc/55/14/52/1066551452.db2.gz KSFGXINHVVHRIU-GOSISDBHSA-N 1 0 456.620 2.794 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@H+](CC)CCC)CCO1 ZINC001294083868 1066553237 /nfs/dbraw/zinc/55/32/37/1066553237.db2.gz PNQGVXIIWRQCGT-LJQANCHMSA-N 1 0 467.618 2.929 20 0 JFADRO CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC[N@@H+]1CCOC ZINC001294087544 1066559464 /nfs/dbraw/zinc/55/94/64/1066559464.db2.gz UEYKPINVXBJYOR-NJDAHSKKSA-N 1 0 451.656 2.855 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(C)CN(C)C2=O)CC[N@@H+]1CCOC ZINC001294089494 1066560404 /nfs/dbraw/zinc/56/04/04/1066560404.db2.gz BLFAFOBCGYRIOB-BVZFJXPGSA-N 1 0 490.599 2.563 20 0 JFADRO C[NH+](C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)c1ccccc1 ZINC000016599036 563013128 /nfs/dbraw/zinc/01/31/28/563013128.db2.gz WFRDPVULDZOQDH-QFIPXVFZSA-N 1 0 479.562 2.690 20 0 JFADRO CC(C)(C)C(=O)Oc1cc2ncnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2cc1OC(=O)C(C)(C)C ZINC001164406682 718838560 /nfs/dbraw/zinc/83/85/60/718838560.db2.gz UFDGRHWMZZPDNB-MRXNPFEDSA-N 1 0 469.586 2.627 20 0 JFADRO O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CCOCC12C[NH2+]C2 ZINC001164404116 718860369 /nfs/dbraw/zinc/86/03/69/718860369.db2.gz OJZQNKJGERYRTP-UHFFFAOYSA-N 1 0 459.280 2.864 20 0 JFADRO c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164415343 718885544 /nfs/dbraw/zinc/88/55/44/718885544.db2.gz GLMAEWBQZLKLCT-UHFFFAOYSA-N 1 0 464.643 2.856 20 0 JFADRO C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424084 718916095 /nfs/dbraw/zinc/91/60/95/718916095.db2.gz KUYFKKZRCPBSLR-CJAUYULYSA-N 1 0 471.671 2.997 20 0 JFADRO COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164430772 718953590 /nfs/dbraw/zinc/95/35/90/718953590.db2.gz YDSHSEWKPVPSDC-HSZRJFAPSA-N 1 0 463.626 2.835 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CCN(Cc1ccccc1)C3)C2 ZINC001164433721 718969224 /nfs/dbraw/zinc/96/92/24/718969224.db2.gz MYWPBGCUEXXIHO-XZOQPEGZSA-N 1 0 475.515 2.556 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)C2 ZINC001164435095 718969289 /nfs/dbraw/zinc/96/92/89/718969289.db2.gz YXEHCSLVKYBLQJ-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1ccc(C(=O)OC)c(Cl)n1)C2 ZINC001164434092 718969432 /nfs/dbraw/zinc/96/94/32/718969432.db2.gz NVXOCXWDJAPUMG-JKSUJKDBSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(F)(F)c1cc(C(=O)OC)cnc1Cl)C2 ZINC001164432395 718970455 /nfs/dbraw/zinc/97/04/55/718970455.db2.gz HDZGJJRRSTUUCM-HZPDHXFCSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)C2 ZINC001164433040 718970514 /nfs/dbraw/zinc/97/05/14/718970514.db2.gz JAQUYDKPKWOZTD-CVEARBPZSA-N 1 0 471.810 2.588 20 0 JFADRO CCOC(=O)c1ccc(C(F)(F)N2C[C@@]3(C(=O)OCC)C[NH2+]C[C@]3(C(F)(F)F)C2)c(Cl)n1 ZINC001164432627 718971173 /nfs/dbraw/zinc/97/11/73/718971173.db2.gz HXWKWEYEENRYKL-SJORKVTESA-N 1 0 485.837 2.978 20 0 JFADRO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164434354 718971914 /nfs/dbraw/zinc/97/19/14/718971914.db2.gz QJKBTLFJDWKAQL-HOTGVXAUSA-N 1 0 486.825 2.893 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164618723 719009818 /nfs/dbraw/zinc/00/98/18/719009818.db2.gz SROGBKLHMRSQEA-MGPUTAFESA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cnc(Cl)cc1C(N)=O)C2 ZINC001164618726 719010188 /nfs/dbraw/zinc/01/01/88/719010188.db2.gz SROGBKLHMRSQEA-QRWLVFNGSA-N 1 0 456.921 2.528 20 0 JFADRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(CN2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613958 719017595 /nfs/dbraw/zinc/01/75/95/719017595.db2.gz ARGVEQGFNCULOT-SZMVWBNQSA-N 1 0 455.628 2.896 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4nc3N3CCOCC3)CC2)CC1 ZINC001164617000 719026131 /nfs/dbraw/zinc/02/61/31/719026131.db2.gz HXVKIGPHPUJYTN-UHFFFAOYSA-N 1 0 453.587 2.710 20 0 JFADRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)NCCC(C)C)cn3)CC2)CC1 ZINC001164618465 719032850 /nfs/dbraw/zinc/03/28/50/719032850.db2.gz UDJIUMYZOPYRLB-UHFFFAOYSA-N 1 0 466.648 2.650 20 0 JFADRO COC(=O)[C@H]1C[NH2+]CCN1C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1 ZINC001164630246 719134710 /nfs/dbraw/zinc/13/47/10/719134710.db2.gz HVYNMSAOOXXZDH-CQSZACIVSA-N 1 0 475.279 2.637 20 0 JFADRO CN(C)C(=O)CN1CC[C@@]2(CN(c3ccc(C[N@H+](C)C4CC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164635945 719143892 /nfs/dbraw/zinc/14/38/92/719143892.db2.gz XSEVHCNBKTZTAN-HOFKKMOUSA-N 1 0 461.610 2.587 20 0 JFADRO CN(C)C(=O)CN1CC[C@]2(CN(c3ccc(C[NH+]4CCCC4)cn3)C[C@H]2c2ccccc2)C1=O ZINC001164632995 719144071 /nfs/dbraw/zinc/14/40/71/719144071.db2.gz QSNBPZLTWUHUCE-WNCULLNHSA-N 1 0 461.610 2.588 20 0 JFADRO C[NH+]1CCN(c2ccc(N3CC[C@@]4(C3)c3ccccc3S(=O)(=O)N4Cc3ccccc3)nn2)CC1 ZINC001164651369 719322806 /nfs/dbraw/zinc/32/28/06/719322806.db2.gz HAWMJIUENYWKLY-AREMUKBSSA-N 1 0 490.633 2.539 20 0 JFADRO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164676665 719556248 /nfs/dbraw/zinc/55/62/48/719556248.db2.gz DNAAOYJEKBVUFP-KRWDZBQOSA-N 1 0 470.948 2.547 20 0 JFADRO COC(=O)c1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684069 719657232 /nfs/dbraw/zinc/65/72/32/719657232.db2.gz WEARCINMXKDZDF-LJQANCHMSA-N 1 0 450.583 2.962 20 0 JFADRO COC(=O)c1cccc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164684062 719657579 /nfs/dbraw/zinc/65/75/79/719657579.db2.gz WEARCINMXKDZDF-IBGZPJMESA-N 1 0 450.583 2.962 20 0 JFADRO COC(=O)c1cccnc1N1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681709 719660149 /nfs/dbraw/zinc/66/01/49/719660149.db2.gz QIBCQPMRPNYUHV-LJQANCHMSA-N 1 0 450.583 2.962 20 0 JFADRO CCOC(=O)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)ncn1 ZINC001164680959 719664000 /nfs/dbraw/zinc/66/40/00/719664000.db2.gz JZFMLQJWHCAAEM-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO 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COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164703374 719880107 /nfs/dbraw/zinc/88/01/07/719880107.db2.gz RZELUNAFDFZZBL-AVRDEDQJSA-N 1 0 484.975 2.889 20 0 JFADRO O=C(Nc1cnccn1)[C@@H]1COC[C@H]2CN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)C[C@H]21 ZINC001164698151 719882731 /nfs/dbraw/zinc/88/27/31/719882731.db2.gz DIZXVIQDCYVXDR-DNVJHFABSA-N 1 0 470.577 2.767 20 0 JFADRO COC(=O)C1CCN(c2nccnc2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC1 ZINC001164699067 719895336 /nfs/dbraw/zinc/89/53/36/719895336.db2.gz WQTRJDJRWZUPCJ-UHFFFAOYSA-N 1 0 471.627 2.799 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164715594 720107764 /nfs/dbraw/zinc/10/77/64/720107764.db2.gz IHCFWXUHEQABBW-FQEVSTJZSA-N 1 0 495.653 2.825 20 0 JFADRO COCCn1ccc2c1ncnc2N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716252 720121819 /nfs/dbraw/zinc/12/18/19/720121819.db2.gz JNPDWYUAXYBUFN-NRFANRHFSA-N 1 0 450.587 2.980 20 0 JFADRO 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Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717715 720173616 /nfs/dbraw/zinc/17/36/16/720173616.db2.gz LUMLIIIQQXTJBJ-GFCCVEGCSA-N 1 0 498.806 2.725 20 0 JFADRO COc1cc2nc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1OC ZINC001164718744 720176254 /nfs/dbraw/zinc/17/62/54/720176254.db2.gz QBEDODMCENNDPI-GOSISDBHSA-N 1 0 487.992 2.645 20 0 JFADRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)C2 ZINC001164820164 720183417 /nfs/dbraw/zinc/18/34/17/720183417.db2.gz ZSDSTVKTMQTGLF-HOFKKMOUSA-N 1 0 462.642 2.988 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)[C@H]2COCC[NH+]1CCCC1 ZINC001164718389 720185401 /nfs/dbraw/zinc/18/54/01/720185401.db2.gz PIOJTKWUUHHOTG-SFHVURJKSA-N 1 0 476.025 2.608 20 0 JFADRO COc1ccc(C(F)(F)N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1Cl ZINC001164717674 720185982 /nfs/dbraw/zinc/18/59/82/720185982.db2.gz LIBREHOLQXTBRT-HNNXBMFYSA-N 1 0 456.925 2.633 20 0 JFADRO CCN(CC)C(=O)c1cc(Cl)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c1 ZINC001164719614 720186050 /nfs/dbraw/zinc/18/60/50/720186050.db2.gz WQLUQEUIJVPHLH-IBGZPJMESA-N 1 0 476.025 2.562 20 0 JFADRO Cn1nnc2c1CCN(c1ncnc3c1ccn3Cc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719188 720186073 /nfs/dbraw/zinc/18/60/73/720186073.db2.gz UBDLOBCEAKCDCM-HSZRJFAPSA-N 1 0 472.597 2.824 20 0 JFADRO CCOC(=O)c1cnc(Cl)c(C)c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719886 720186207 /nfs/dbraw/zinc/18/62/07/720186207.db2.gz YDWMMFRVAAFZNV-GOSISDBHSA-N 1 0 462.982 2.565 20 0 JFADRO CCOC(=O)c1ccc(C(F)(F)N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c(Cl)n1 ZINC001164713931 720193969 /nfs/dbraw/zinc/19/39/69/720193969.db2.gz FIDLPWWMKUTSLS-GOSISDBHSA-N 1 0 498.962 2.801 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)nc3c(Cl)nccc31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715592 720195064 /nfs/dbraw/zinc/19/50/64/720195064.db2.gz LCJIYLAUVXXQBC-OAHLLOKOSA-N 1 0 463.373 2.676 20 0 JFADRO CCOC(=O)c1sc2nc(C)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164714000 720196457 /nfs/dbraw/zinc/19/64/57/720196457.db2.gz FQISROPGDXWQGN-GOSISDBHSA-N 1 0 499.641 2.830 20 0 JFADRO Cn1nnc2c1CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)[C@H]2COCC[NH+]1CCCC1 ZINC001164714620 720198203 /nfs/dbraw/zinc/19/82/03/720198203.db2.gz HDODTSDHJFJFFR-NRFANRHFSA-N 1 0 488.036 2.752 20 0 JFADRO Cc1cc(-c2cccc(F)c2)nnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164719741 720203851 /nfs/dbraw/zinc/20/38/51/720203851.db2.gz SYNGZDKOVKYLEC-JOCHJYFZSA-N 1 0 451.550 2.936 20 0 JFADRO Cn1nnc2c1CCN(c1nc(Cl)cc(-c3ccncc3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164720323 720204687 /nfs/dbraw/zinc/20/46/87/720204687.db2.gz YJDHZGXNKXYICH-LJQANCHMSA-N 1 0 454.966 2.537 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)NC1CCCCC1)CCC2 ZINC001164810929 720213173 /nfs/dbraw/zinc/21/31/73/720213173.db2.gz FPCGCCNYQNLCND-UHFFFAOYSA-N 1 0 452.603 2.951 20 0 JFADRO COC(=O)C[C@@H](c1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1)C1CC1 ZINC001164814521 720233780 /nfs/dbraw/zinc/23/37/80/720233780.db2.gz WWAMFNTZCIBVPV-OAQYLSRUSA-N 1 0 453.587 2.946 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C(=O)N1CCC(C)CC1)CCC2 ZINC001164812107 720235875 /nfs/dbraw/zinc/23/58/75/720235875.db2.gz BCESSOJSVPWRJI-UHFFFAOYSA-N 1 0 452.603 2.761 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CCC2 ZINC001164813858 720236134 /nfs/dbraw/zinc/23/61/34/720236134.db2.gz QJESSCCDLMYBNE-UHFFFAOYSA-N 1 0 462.554 2.722 20 0 JFADRO COc1ccc(-c2ccc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)nn2)c(OC)c1 ZINC001164812198 720240409 /nfs/dbraw/zinc/24/04/09/720240409.db2.gz CYKNRMUAIUVRQK-UHFFFAOYSA-N 1 0 464.570 2.968 20 0 JFADRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CCC2 ZINC001164818330 720244039 /nfs/dbraw/zinc/24/40/39/720244039.db2.gz YOTPYWMHRWSHID-UHFFFAOYSA-N 1 0 455.941 2.548 20 0 JFADRO Cc1sc2nc(CN3CCCCC3)nc(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)c2c1C ZINC001164816130 720246942 /nfs/dbraw/zinc/24/69/42/720246942.db2.gz HFTNYAKXVLEPAI-UHFFFAOYSA-N 1 0 481.626 2.555 20 0 JFADRO CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164820854 720289858 /nfs/dbraw/zinc/28/98/58/720289858.db2.gz YEXPTEZNPJRSQY-VQTJNVASSA-N 1 0 490.608 2.971 20 0 JFADRO COC(=O)c1ccc2nc(Cl)c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)nc2c1 ZINC001164827372 720297120 /nfs/dbraw/zinc/29/71/20/720297120.db2.gz XIBXMJGAWDSALQ-WOJBJXKFSA-N 1 0 471.989 2.981 20 0 JFADRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)NCc2ccccc2)CC1 ZINC001164818962 720297650 /nfs/dbraw/zinc/29/76/50/720297650.db2.gz CDFQSLVWUBOURE-RPWUZVMVSA-N 1 0 461.610 2.923 20 0 JFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164823233 720302059 /nfs/dbraw/zinc/30/20/59/720302059.db2.gz PQEPCNDBKYTRET-HZPDHXFCSA-N 1 0 456.969 2.652 20 0 JFADRO 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O=S(=O)(C1CC1)N(C[C@H]1CCC[C@]2(CC[NH2+]C2)O1)c1ncnc2c1CN(Cc1ccccc1)CC2 ZINC001164954962 721991347 /nfs/dbraw/zinc/99/13/47/721991347.db2.gz YGXRCIPQZPKUOW-QFQXNSOFSA-N 1 0 497.665 2.635 20 0 JFADRO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H]3[C@@H](CCN3C(=O)c3ccco3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164960311 722047821 /nfs/dbraw/zinc/04/78/21/722047821.db2.gz UWTJFXZNWFOYAW-IPJJNNNSSA-N 1 0 495.624 2.824 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H](NC(=O)c3nccn3C)[C@@H]3OCCC[C@H]32)nc1 ZINC001164978653 722093773 /nfs/dbraw/zinc/09/37/73/722093773.db2.gz JBNHLDSBEKRSEX-GNXKAVGDSA-N 1 0 452.603 2.918 20 0 JFADRO CN(C)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983937 722105324 /nfs/dbraw/zinc/10/53/24/722105324.db2.gz RHJUFUFWUZLVCE-DLBZAZTESA-N 1 0 452.937 2.863 20 0 JFADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982701 722125174 /nfs/dbraw/zinc/12/51/74/722125174.db2.gz XSOPVADRLWCLLK-ROUUACIJSA-N 1 0 479.412 2.742 20 0 JFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164974197 722144162 /nfs/dbraw/zinc/14/41/62/722144162.db2.gz CMNUEPWHSCHMKL-GMAHTHKFSA-N 1 0 473.643 2.528 20 0 JFADRO c1ccc(N2CCN(c3cc(N4CC[C@H]5C[N@H+](Cc6cccnc6)CCO[C@H]5C4)ncn3)CC2)cc1 ZINC001164985407 722148780 /nfs/dbraw/zinc/14/87/80/722148780.db2.gz ZJBUFTOCLZIJCC-AHWVRZQESA-N 1 0 485.636 2.926 20 0 JFADRO CN(C)c1cc(C(F)(F)N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971104 722153412 /nfs/dbraw/zinc/15/34/12/722153412.db2.gz AQSBOCKIYATXQA-SJORKVTESA-N 1 0 452.937 2.863 20 0 JFADRO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C(=O)OCC ZINC001164977119 722157767 /nfs/dbraw/zinc/15/77/67/722157767.db2.gz XDTFCBMIPWXQFI-CTNGQTDRSA-N 1 0 468.554 2.557 20 0 JFADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(N4CCOCC4)nc(N4CCOCC4)n2)C3)c1 ZINC001164995861 722194959 /nfs/dbraw/zinc/19/49/59/722194959.db2.gz YYKLQKJJWMXHOA-AREMUKBSSA-N 1 0 482.604 2.534 20 0 JFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001165002486 722247605 /nfs/dbraw/zinc/24/76/05/722247605.db2.gz ZBGNKQTVGIINIP-JOCHJYFZSA-N 1 0 492.958 2.559 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CCC2 ZINC001165001632 722253343 /nfs/dbraw/zinc/25/33/43/722253343.db2.gz DPBFXFPJAOVFCL-SFHVURJKSA-N 1 0 474.997 2.864 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CCC2 ZINC001165004942 722256730 /nfs/dbraw/zinc/25/67/30/722256730.db2.gz YCEIEQCDLCIYPM-UHFFFAOYSA-N 1 0 450.543 2.600 20 0 JFADRO CCS(=O)(=O)c1cc(C(F)(F)N2CCCn3cnc(COCC[NH+](C)C)c3C2)cnc1Cl ZINC001165003414 722258192 /nfs/dbraw/zinc/25/81/92/722258192.db2.gz CHDWZCOKLJERLN-UHFFFAOYSA-N 1 0 491.992 2.759 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001165004701 722270047 /nfs/dbraw/zinc/27/00/47/722270047.db2.gz CCJMWMXAUQPSJP-VWLOTQADSA-N 1 0 453.562 2.621 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001299740334 1059491334 /nfs/dbraw/zinc/49/13/34/1059491334.db2.gz PDYHZGICEBNSMH-RUZDIDTESA-N 1 0 470.618 2.508 20 0 JFADRO C[NH+]1CCN(c2ccc(NC(=O)c3c(F)ccc(S(=O)(=O)CC4CC4)c3F)cn2)CC1 ZINC001264330981 1059573823 /nfs/dbraw/zinc/57/38/23/1059573823.db2.gz ALARROZAXXPYHR-UHFFFAOYSA-N 1 0 450.511 2.548 20 0 JFADRO CN(c1ccc(NC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)cc1)C1CC[NH+](C)CC1 ZINC001264729852 1059658188 /nfs/dbraw/zinc/65/81/88/1059658188.db2.gz HRFWRBGKVZAWFK-UHFFFAOYSA-N 1 0 454.571 2.973 20 0 JFADRO Cn1ncc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)c1I ZINC001264809002 1059687392 /nfs/dbraw/zinc/68/73/92/1059687392.db2.gz KFFQUHMBMHTDTJ-UHFFFAOYSA-N 1 0 459.719 2.682 20 0 JFADRO CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)C1 ZINC001264831787 1059698698 /nfs/dbraw/zinc/69/86/98/1059698698.db2.gz LGLSNNCLUYNSHJ-FQEVSTJZSA-N 1 0 457.619 2.699 20 0 JFADRO CO[C@@H]1C[C@H](C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)N(C(=O)OCc2ccccc2)C1 ZINC001264874038 1059712641 /nfs/dbraw/zinc/71/26/41/1059712641.db2.gz LGEVBTXIMVVJSK-WUMKDDEVSA-N 1 0 451.567 2.976 20 0 JFADRO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC001264894654 1059719670 /nfs/dbraw/zinc/71/96/70/1059719670.db2.gz SFLJNDGVSILIGO-SESVDKBCSA-N 1 0 456.587 2.620 20 0 JFADRO COCCCn1nc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)ccc1=O ZINC001264925484 1059730081 /nfs/dbraw/zinc/73/00/81/1059730081.db2.gz HWZASKOJXPCINI-UHFFFAOYSA-N 1 0 455.559 2.737 20 0 JFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cn(C(C)(C)C)nc2Br)c1 ZINC001264936126 1059732743 /nfs/dbraw/zinc/73/27/43/1059732743.db2.gz DLVOJRPOYZBUKQ-UHFFFAOYSA-N 1 0 450.381 2.622 20 0 JFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@]23CCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001264936312 1059732823 /nfs/dbraw/zinc/73/28/23/1059732823.db2.gz KUHXVJONDWCUIC-NLFFAJNJSA-N 1 0 458.603 2.631 20 0 JFADRO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001264960858 1059740642 /nfs/dbraw/zinc/74/06/42/1059740642.db2.gz FVQPMSALEZYMNP-IBGZPJMESA-N 1 0 451.995 2.906 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC001265006318 1059749582 /nfs/dbraw/zinc/74/95/82/1059749582.db2.gz DAPNGTYFPMVIEG-HXUWFJFHSA-N 1 0 450.649 2.755 20 0 JFADRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCOC3)[C@H](C)C1 ZINC001265127362 1059774832 /nfs/dbraw/zinc/77/48/32/1059774832.db2.gz ALTDLQIXKISFPN-KCOOYEKVSA-N 1 0 453.624 2.513 20 0 JFADRO CCc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001265192505 1059791385 /nfs/dbraw/zinc/79/13/85/1059791385.db2.gz BZFUQXSRDDXVGS-UHFFFAOYSA-N 1 0 451.633 2.656 20 0 JFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC001265212307 1059795844 /nfs/dbraw/zinc/79/58/44/1059795844.db2.gz VKPOSMQMTQUFGT-GKVSMKOHSA-N 1 0 452.530 2.935 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001265246698 1059805122 /nfs/dbraw/zinc/80/51/22/1059805122.db2.gz CXMLDQXJLDDJFZ-SFHVURJKSA-N 1 0 453.568 2.653 20 0 JFADRO Cc1nc(-c2ncccn2)sc1C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC001265297973 1059818365 /nfs/dbraw/zinc/81/83/65/1059818365.db2.gz CMDSPFVHPQQUMY-UHFFFAOYSA-N 1 0 452.584 2.811 20 0 JFADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCCn2c3ccccc3oc2=O)CC1 ZINC001265298163 1059818877 /nfs/dbraw/zinc/81/88/77/1059818877.db2.gz INEUKJMAZGQYDX-UHFFFAOYSA-N 1 0 452.555 2.664 20 0 JFADRO CO[C@@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001299744537 1059835196 /nfs/dbraw/zinc/83/51/96/1059835196.db2.gz PUFJVHGMPBILGS-RXVVDRJESA-N 1 0 470.684 2.548 20 0 JFADRO Cc1c(C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC001265501717 1059873763 /nfs/dbraw/zinc/87/37/63/1059873763.db2.gz GLMHKVQMJDIUGM-UHFFFAOYSA-N 1 0 459.959 2.873 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286837022 1061091499 /nfs/dbraw/zinc/09/14/99/1061091499.db2.gz CHALWCABYCWLAO-PMACEKPBSA-N 1 0 496.660 2.741 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001286838821 1061095909 /nfs/dbraw/zinc/09/59/09/1061095909.db2.gz OQDKFEGFPGACHN-OYRHEFFESA-N 1 0 487.693 2.719 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C)n2CC[NH+]2CCSCC2)CC1 ZINC001286843997 1061127379 /nfs/dbraw/zinc/12/73/79/1061127379.db2.gz JNRCJMFAELGCDH-UHFFFAOYSA-N 1 0 486.686 2.970 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001286844463 1061133231 /nfs/dbraw/zinc/13/32/31/1061133231.db2.gz QOOAIBUNVCBLTF-QHCPKHFHSA-N 1 0 454.619 2.953 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286846584 1061151427 /nfs/dbraw/zinc/15/14/27/1061151427.db2.gz AZIBIYSTGZIPCR-SFHVURJKSA-N 1 0 456.591 2.566 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cc3ccncc3)n2C[C@@H](c2cccs2)[NH+](C)C)C1 ZINC001286849282 1061170777 /nfs/dbraw/zinc/17/07/77/1061170777.db2.gz ALFRWQJCCNBMQD-RTWAWAEBSA-N 1 0 467.643 2.933 20 0 JFADRO CC(=O)N1CCC(Cn2c(C(C)C)nnc2N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC001286853897 1061201367 /nfs/dbraw/zinc/20/13/67/1061201367.db2.gz GOODOVYDJZXXDC-HSZRJFAPSA-N 1 0 454.619 2.516 20 0 JFADRO CC(=O)N1CCC(Cn2c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001286855892 1061210581 /nfs/dbraw/zinc/21/05/81/1061210581.db2.gz CRBAHJRHGQHVRU-UHFFFAOYSA-N 1 0 473.710 2.829 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H](c2cccs2)[NH+](C)C)o1 ZINC001289576657 1061222397 /nfs/dbraw/zinc/22/23/97/1061222397.db2.gz KIHPFEIICSWHBO-QGZVFWFLSA-N 1 0 458.588 2.682 20 0 JFADRO Cc1ccc(-c2nnc(N3CCC(NS(C)(=O)=O)CC3)n2CCCCC[NH+]2CCCC2)o1 ZINC001289578274 1061225223 /nfs/dbraw/zinc/22/52/23/1061225223.db2.gz XRWACKBDGJHMRC-UHFFFAOYSA-N 1 0 464.636 2.631 20 0 JFADRO 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JFADRO Cc1c(CN(C)c2nnc(COc3ccc(C)c(C)c3)n2CCC[NH+]2CCC(O)CC2)cnn1C ZINC001289776957 1061399441 /nfs/dbraw/zinc/39/94/41/1061399441.db2.gz BKIJMCCGDOMYQD-UHFFFAOYSA-N 1 0 481.645 2.999 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286904564 1061410135 /nfs/dbraw/zinc/41/01/35/1061410135.db2.gz RNOWDXRVBITFAL-SAKCQFPSSA-N 1 0 476.666 2.553 20 0 JFADRO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001286905253 1061417556 /nfs/dbraw/zinc/41/75/56/1061417556.db2.gz YSJCCNRRPDUMFL-HLJPNSHOSA-N 1 0 486.636 2.860 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCCC[C@H]2C)C1 ZINC001286905306 1061418150 /nfs/dbraw/zinc/41/81/50/1061418150.db2.gz MWGOGTHKAJWRAY-TZIWHRDSSA-N 1 0 482.633 2.685 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC[N@@H+](C)C(C)C)C1 ZINC001286905626 1061420497 /nfs/dbraw/zinc/42/04/97/1061420497.db2.gz UUHJAEPOQPVDCP-OAQYLSRUSA-N 1 0 490.052 2.697 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001286905772 1061421308 /nfs/dbraw/zinc/42/13/08/1061421308.db2.gz YAJJPFPYJAKYHD-QFIPXVFZSA-N 1 0 496.660 2.788 20 0 JFADRO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792121 1061423480 /nfs/dbraw/zinc/42/34/80/1061423480.db2.gz KLWSHTCVUVGSHP-ZWKOTPCHSA-N 1 0 462.545 2.528 20 0 JFADRO Cc1ccc(OCc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CC(=O)NCC(F)F)cc1C ZINC001289792119 1061423516 /nfs/dbraw/zinc/42/35/16/1061423516.db2.gz KLWSHTCVUVGSHP-QZTJIDSGSA-N 1 0 462.545 2.528 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC001289792462 1061425578 /nfs/dbraw/zinc/42/55/78/1061425578.db2.gz UZKYGFUIVAHPKC-FDFHNCONSA-N 1 0 484.645 2.640 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](c2ccco2)[NH+](C)C)cc1 ZINC001289792762 1061426608 /nfs/dbraw/zinc/42/66/08/1061426608.db2.gz WESKAKRCVXVQPU-UYAOXDASSA-N 1 0 452.559 2.728 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC(C(=O)Nc4nncs4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001289798648 1061431221 /nfs/dbraw/zinc/43/12/21/1061431221.db2.gz YHJLRNJRJUDRLK-QGZVFWFLSA-N 1 0 484.630 2.822 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001286908478 1061445503 /nfs/dbraw/zinc/44/55/03/1061445503.db2.gz PHNAQVDZACKURY-AZUAARDMSA-N 1 0 488.608 2.773 20 0 JFADRO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001286908485 1061445519 /nfs/dbraw/zinc/44/55/19/1061445519.db2.gz PKJQWGHIKKMZRL-MRXNPFEDSA-N 1 0 466.428 2.728 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC001289808595 1061451682 /nfs/dbraw/zinc/45/16/82/1061451682.db2.gz JXTIRXSUXGVOIN-TZIWHRDSSA-N 1 0 463.648 2.765 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001289809197 1061452465 /nfs/dbraw/zinc/45/24/65/1061452465.db2.gz OJSHWMHJQRYXHU-FGZHOGPDSA-N 1 0 475.659 2.909 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)cc1C ZINC001289809231 1061453512 /nfs/dbraw/zinc/45/35/12/1061453512.db2.gz PAXLUYNOBWQXFB-CJFMBICVSA-N 1 0 457.619 2.981 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001289812247 1061461670 /nfs/dbraw/zinc/46/16/70/1061461670.db2.gz OGUKGFJXGRLWLX-DEOSSOPVSA-N 1 0 475.659 2.911 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001289817672 1061472097 /nfs/dbraw/zinc/47/20/97/1061472097.db2.gz CBHUJORIHILZNX-FQEVSTJZSA-N 1 0 463.648 2.767 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1C ZINC001289819107 1061477886 /nfs/dbraw/zinc/47/78/86/1061477886.db2.gz PDLXOBRCAMYBRU-OAQYLSRUSA-N 1 0 475.659 2.829 20 0 JFADRO CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001286916070 1061497434 /nfs/dbraw/zinc/49/74/34/1061497434.db2.gz ZDOULVWBTOCXOR-UHFFFAOYSA-N 1 0 470.622 2.539 20 0 JFADRO CC(=O)NC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001286916669 1061500851 /nfs/dbraw/zinc/50/08/51/1061500851.db2.gz PVDGEKIPWYHRPI-AREMUKBSSA-N 1 0 484.645 2.556 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC001289827790 1061503314 /nfs/dbraw/zinc/50/33/14/1061503314.db2.gz KVZHDWGLMKCHAL-HXUWFJFHSA-N 1 0 454.600 2.856 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCC[NH+]2CCC(C)CC2)cc1 ZINC001289833198 1061509450 /nfs/dbraw/zinc/50/94/50/1061509450.db2.gz FYCUFUUTWTXXMF-UHFFFAOYSA-N 1 0 475.659 2.912 20 0 JFADRO CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001286919783 1061511353 /nfs/dbraw/zinc/51/13/53/1061511353.db2.gz WGKCMYITPICFEI-DFBJGRDBSA-N 1 0 453.635 2.879 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC[NH+]2CCSCC2)C1 ZINC001286921042 1061515282 /nfs/dbraw/zinc/51/52/82/1061515282.db2.gz HQDGVDQUISRVCD-UYAOXDASSA-N 1 0 490.649 2.959 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC001286921670 1061518827 /nfs/dbraw/zinc/51/88/27/1061518827.db2.gz IQMLTNFUGYSENQ-VWNXMTODSA-N 1 0 495.672 2.914 20 0 JFADRO CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001286922079 1061520231 /nfs/dbraw/zinc/52/02/31/1061520231.db2.gz QCRDXXTXXFHNTD-OAQYLSRUSA-N 1 0 456.635 2.917 20 0 JFADRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3csc(NC(=O)c4ccc(Br)o4)n3)[C@@H]2C1 ZINC001289852184 1061524498 /nfs/dbraw/zinc/52/44/98/1061524498.db2.gz XMNHEYZXYACMHL-UHTWSYAYSA-N 1 0 453.362 2.750 20 0 JFADRO CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CC2CC[NH+](CCC(C)C)CC2)C1 ZINC001286924189 1061529383 /nfs/dbraw/zinc/52/93/83/1061529383.db2.gz WRKVPOZJEJKHDI-QFIPXVFZSA-N 1 0 470.666 2.789 20 0 JFADRO Cc1ccc(SCc2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCOCC[NH+](C)C)cc1 ZINC001289862035 1061544089 /nfs/dbraw/zinc/54/40/89/1061544089.db2.gz BCOFFNNUFMRYMJ-NHCUHLMSSA-N 1 0 472.659 2.704 20 0 JFADRO 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CC(=O)NC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCC(C)CC2)C1 ZINC001286930391 1061555113 /nfs/dbraw/zinc/55/51/13/1061555113.db2.gz REMCAVAOVJODIL-QFIPXVFZSA-N 1 0 453.635 2.738 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001289875310 1061557603 /nfs/dbraw/zinc/55/76/03/1061557603.db2.gz IFIHMKWHVWXRGB-HXUWFJFHSA-N 1 0 492.715 2.835 20 0 JFADRO Cc1ccc(SCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001289878679 1061563082 /nfs/dbraw/zinc/56/30/82/1061563082.db2.gz ISXLPIBHRZFOPI-NHCUHLMSSA-N 1 0 486.686 2.903 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001286933889 1061567144 /nfs/dbraw/zinc/56/71/44/1061567144.db2.gz BPFAIKIMEFEQGC-FQEVSTJZSA-N 1 0 454.619 2.736 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC001286934162 1061568222 /nfs/dbraw/zinc/56/82/22/1061568222.db2.gz RQVQCHUGIPMRNK-QFIPXVFZSA-N 1 0 456.639 2.542 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CC2CC[NH+](CCN(C)C)CC2)CCO1 ZINC001294093599 1061572693 /nfs/dbraw/zinc/57/26/93/1061572693.db2.gz GBZBYUFWXKNJMQ-QFIPXVFZSA-N 1 0 475.707 2.913 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC[NH+]2CCOCC2)CC1 ZINC001286935721 1061575146 /nfs/dbraw/zinc/57/51/46/1061575146.db2.gz RKVBMRFYFUUJTK-UHFFFAOYSA-N 1 0 490.599 2.612 20 0 JFADRO CC(=O)NCC1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001286935852 1061575620 /nfs/dbraw/zinc/57/56/20/1061575620.db2.gz XQLDLZHAXBYSJO-HSZRJFAPSA-N 1 0 480.661 2.845 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC[N@@H+]1CCOC ZINC001294098053 1061577500 /nfs/dbraw/zinc/57/75/00/1061577500.db2.gz RMFSVNFLZWAGMY-LJQANCHMSA-N 1 0 458.636 2.582 20 0 JFADRO CCC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2nccs2)CC[N@@H+]1CCOC ZINC001294098052 1061577559 /nfs/dbraw/zinc/57/75/59/1061577559.db2.gz RMFSVNFLZWAGMY-IBGZPJMESA-N 1 0 458.636 2.582 20 0 JFADRO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC001294100815 1061581216 /nfs/dbraw/zinc/58/12/16/1061581216.db2.gz FKBGURPMFYQKBQ-DEOSSOPVSA-N 1 0 452.530 2.950 20 0 JFADRO CC(=O)Nc1ccc(F)c(C(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001294104065 1061583835 /nfs/dbraw/zinc/58/38/35/1061583835.db2.gz YUOQCXVIFFSWSN-UHFFFAOYSA-N 1 0 454.546 2.885 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CCCC[NH+]2CCC(C)CC2)CCO1 ZINC001286940635 1061583961 /nfs/dbraw/zinc/58/39/61/1061583961.db2.gz FSDGHQHCPNBUTO-NRFANRHFSA-N 1 0 458.607 2.700 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001289901514 1061587053 /nfs/dbraw/zinc/58/70/53/1061587053.db2.gz GFFHWDDFQZINLX-NRFANRHFSA-N 1 0 465.602 2.860 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC(C)(C)C[NH+]2CCCC2)CCO1 ZINC001286941581 1061589513 /nfs/dbraw/zinc/58/95/13/1061589513.db2.gz JTEITUXEWJUVSS-OAQYLSRUSA-N 1 0 454.619 2.717 20 0 JFADRO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294106613 1061589764 /nfs/dbraw/zinc/58/97/64/1061589764.db2.gz QUFHDJVJBHOCAA-OAQYLSRUSA-N 1 0 476.666 2.906 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[NH+]2CCCCCC2)CCO1 ZINC001286941476 1061590591 /nfs/dbraw/zinc/59/05/91/1061590591.db2.gz NUZPEMDPRQYCOC-LJQANCHMSA-N 1 0 479.000 2.955 20 0 JFADRO CCCCCC(=O)NC1CCN(c2nnc([C@H]3CCCOC3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294106856 1061590715 /nfs/dbraw/zinc/59/07/15/1061590715.db2.gz XTXDZMSTRDJXML-NRFANRHFSA-N 1 0 490.693 2.948 20 0 JFADRO Cc1cccc(-c2nnc(N(C)[C@@H](C)CC(N)=O)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC001289908206 1061596925 /nfs/dbraw/zinc/59/69/25/1061596925.db2.gz FAGUBMDVMHPUCF-SFTDATJTSA-N 1 0 476.629 2.559 20 0 JFADRO CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294121418 1061602377 /nfs/dbraw/zinc/60/23/77/1061602377.db2.gz WSXCQPDHNFLRIE-QFIPXVFZSA-N 1 0 470.618 2.895 20 0 JFADRO CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001286944047 1061608442 /nfs/dbraw/zinc/60/84/42/1061608442.db2.gz BDGYCQGQMIWXKA-IBGZPJMESA-N 1 0 498.607 2.529 20 0 JFADRO Cc1cccc(-c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCOCC[NH+](C)C)n1 ZINC001289921302 1061613819 /nfs/dbraw/zinc/61/38/19/1061613819.db2.gz APAMPDLLMFMNTR-UHFFFAOYSA-N 1 0 466.512 2.615 20 0 JFADRO CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC001286945945 1061628962 /nfs/dbraw/zinc/62/89/62/1061628962.db2.gz NTHVUOUCNOLQNX-GBXCKJPGSA-N 1 0 468.646 2.873 20 0 JFADRO O=C(Cc1ccc2c(c1)OC(F)(F)O2)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC001294144264 1061630299 /nfs/dbraw/zinc/63/02/99/1061630299.db2.gz CMDVZTXOULYYCR-UHFFFAOYSA-N 1 0 451.514 2.781 20 0 JFADRO CC(C)Cn1ncc2cc(C(=O)N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)cnc21 ZINC001294147413 1061633295 /nfs/dbraw/zinc/63/32/95/1061633295.db2.gz SCPPOBKFXSCIPD-UHFFFAOYSA-N 1 0 454.619 2.932 20 0 JFADRO CCCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(C(=O)NC)CC1 ZINC001294150745 1061635344 /nfs/dbraw/zinc/63/53/44/1061635344.db2.gz LYOLFGBNLSXXAH-UHFFFAOYSA-N 1 0 467.662 2.795 20 0 JFADRO CO[C@@H]1C[C@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)N(C(=O)OCc2ccccc2)C1 ZINC001294152610 1061636614 /nfs/dbraw/zinc/63/66/14/1061636614.db2.gz QQCAYMOARZKPEH-DHIUTWEWSA-N 1 0 459.587 2.516 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001289947782 1061638027 /nfs/dbraw/zinc/63/80/27/1061638027.db2.gz KZAIERTXVVPWCK-HOTGVXAUSA-N 1 0 465.524 2.636 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[N@H+](C)C2CC2)n1 ZINC001289947784 1061638097 /nfs/dbraw/zinc/63/80/97/1061638097.db2.gz KZAIERTXVVPWCK-JKSUJKDBSA-N 1 0 465.524 2.636 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(CCC[NH+]4CCOCC4)CC3)n2CCCC(=O)N(C)C)n1 ZINC001289950345 1061643580 /nfs/dbraw/zinc/64/35/80/1061643580.db2.gz CZIBEPVEJKDSIZ-UHFFFAOYSA-N 1 0 483.661 2.846 20 0 JFADRO CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001286947511 1061647758 /nfs/dbraw/zinc/64/77/58/1061647758.db2.gz ZAJUDVIRMIXSMY-FYYLOGMGSA-N 1 0 484.645 2.720 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001289954223 1061649530 /nfs/dbraw/zinc/64/95/30/1061649530.db2.gz LATKUMJUQIKDOK-HXUWFJFHSA-N 1 0 489.690 2.535 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC[C@H](C)[NH+]2CCCCC2)n1 ZINC001289955419 1061651965 /nfs/dbraw/zinc/65/19/65/1061651965.db2.gz RYXJGNMQXUDYMZ-FQEVSTJZSA-N 1 0 489.690 2.679 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2CCC(C)(C)O)n1 ZINC001289955431 1061652819 /nfs/dbraw/zinc/65/28/19/1061652819.db2.gz SJFWCDPXCMDPBE-UHFFFAOYSA-N 1 0 455.651 2.804 20 0 JFADRO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H](C)[NH+]2CCCCC2)CCO1 ZINC001286948564 1061660766 /nfs/dbraw/zinc/66/07/66/1061660766.db2.gz SKBARUXTVAIDDR-XXBNENTESA-N 1 0 472.609 2.614 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(OCC[NH+]4CCCC4)CC3)n2CCCC(=O)N(C)C)n1 ZINC001289963125 1061669535 /nfs/dbraw/zinc/66/95/35/1061669535.db2.gz XSNQMYLAOSCQOU-UHFFFAOYSA-N 1 0 469.634 2.598 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC001289965830 1061671781 /nfs/dbraw/zinc/67/17/81/1061671781.db2.gz UFPABOSJFVLDQP-NQIIRXRSSA-N 1 0 451.550 2.792 20 0 JFADRO CC(=O)NCCCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001286949983 1061676656 /nfs/dbraw/zinc/67/66/56/1061676656.db2.gz UCDVWYHZJSDZSA-UHFFFAOYSA-N 1 0 479.629 2.875 20 0 JFADRO CC(=O)NCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001286950882 1061685138 /nfs/dbraw/zinc/68/51/38/1061685138.db2.gz ATGGSSMXWIKATR-TYPHKJRUSA-N 1 0 489.665 2.592 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC001289973455 1061685384 /nfs/dbraw/zinc/68/53/84/1061685384.db2.gz IKEHOJOLIGQCHN-FKBYEOEOSA-N 1 0 483.661 2.889 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001289975630 1061696053 /nfs/dbraw/zinc/69/60/53/1061696053.db2.gz WJRPHYCGNOHRSO-FQEVSTJZSA-N 1 0 469.634 2.500 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001294188765 1061698131 /nfs/dbraw/zinc/69/81/31/1061698131.db2.gz GGUGJMFLTZZIKB-OAQYLSRUSA-N 1 0 459.587 2.959 20 0 JFADRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)C1 ZINC001294189302 1061698256 /nfs/dbraw/zinc/69/82/56/1061698256.db2.gz KEHVSETUZFYXPF-SFHVURJKSA-N 1 0 458.356 2.907 20 0 JFADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1Cl ZINC001294189508 1061699615 /nfs/dbraw/zinc/69/96/15/1061699615.db2.gz MFNGRHVOPNQRNT-SFHVURJKSA-N 1 0 451.976 2.868 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001289979166 1061699651 /nfs/dbraw/zinc/69/96/51/1061699651.db2.gz IXGUACXVVLMCTI-OAQYLSRUSA-N 1 0 498.676 2.516 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCSC(F)(F)F)n1 ZINC001289980354 1061701675 /nfs/dbraw/zinc/70/16/75/1061701675.db2.gz WKQQDZHWIGNICX-KRWDZBQOSA-N 1 0 483.564 2.644 20 0 JFADRO CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001286953707 1061701778 /nfs/dbraw/zinc/70/17/78/1061701778.db2.gz UFWDMYPIGWHMHB-LJQANCHMSA-N 1 0 456.639 2.686 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(CS(C)(=O)=O)cc2)n1 ZINC001289980524 1061702043 /nfs/dbraw/zinc/70/20/43/1061702043.db2.gz FJSAUWRWYKTMKT-UHFFFAOYSA-N 1 0 468.627 2.772 20 0 JFADRO C[C@H]1C[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC[N@@H+]1C ZINC001294202033 1061708307 /nfs/dbraw/zinc/70/83/07/1061708307.db2.gz PQVTWTYKWPDQML-LPHOPBHVSA-N 1 0 459.568 2.861 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2CC[C@H]2COCCO2)n1 ZINC001289985072 1061708513 /nfs/dbraw/zinc/70/85/13/1061708513.db2.gz FYGOEZHNRFSHJC-IBGZPJMESA-N 1 0 498.550 2.545 20 0 JFADRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 ZINC001294204851 1061709339 /nfs/dbraw/zinc/70/93/39/1061709339.db2.gz MQYGPXSYXWLDHA-OAHLLOKOSA-N 1 0 457.356 2.542 20 0 JFADRO Cc1cccc(-c2nnc(N3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)n2CCCNC(=O)C(C)C)n1 ZINC001289986620 1061712251 /nfs/dbraw/zinc/71/22/51/1061712251.db2.gz YUYMPNBFRWEIKU-ZRZAMGCNSA-N 1 0 496.704 2.806 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 ZINC001294209051 1061712704 /nfs/dbraw/zinc/71/27/04/1061712704.db2.gz NFFVPIMMXRRXHR-GOSISDBHSA-N 1 0 495.719 2.591 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001294209639 1061712753 /nfs/dbraw/zinc/71/27/53/1061712753.db2.gz XKIXVNXOTGMBLM-UHFFFAOYSA-N 1 0 469.556 2.910 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001294209866 1061713865 /nfs/dbraw/zinc/71/38/65/1061713865.db2.gz CBQWGGOWEFUHJL-OAQYLSRUSA-N 1 0 458.582 2.963 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001294213995 1061721662 /nfs/dbraw/zinc/72/16/62/1061721662.db2.gz FJWNOUZBGWFDMP-MRXNPFEDSA-N 1 0 487.468 2.781 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCc2sccc2C1 ZINC001294214297 1061722696 /nfs/dbraw/zinc/72/26/96/1061722696.db2.gz GNAJBGMOPLDVAK-INIZCTEOSA-N 1 0 454.666 2.635 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001294215103 1061724912 /nfs/dbraw/zinc/72/49/12/1061724912.db2.gz QHGXLYMUYAAOAF-ZWKOTPCHSA-N 1 0 459.570 2.503 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCSC[C@@H]1C ZINC001294217034 1061727425 /nfs/dbraw/zinc/72/74/25/1061727425.db2.gz OPVAYFDWTAUFKU-SFHVURJKSA-N 1 0 480.704 2.869 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286959011 1061727841 /nfs/dbraw/zinc/72/78/41/1061727841.db2.gz RKSIJFZYOPMIKK-UEXGIBASSA-N 1 0 487.674 2.554 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001294217396 1061727855 /nfs/dbraw/zinc/72/78/55/1061727855.db2.gz GTCLOMCUVSQLOJ-ICSRJNTNSA-N 1 0 459.547 2.808 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(O)(Cc4cccc(C)c4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290003464 1061729597 /nfs/dbraw/zinc/72/95/97/1061729597.db2.gz QCSPPWSLNPQAQE-QFIPXVFZSA-N 1 0 465.646 2.972 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001294219590 1061730942 /nfs/dbraw/zinc/73/09/42/1061730942.db2.gz JWIIPFKCNDBUDN-GOSISDBHSA-N 1 0 453.595 2.647 20 0 JFADRO O=C(N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001290007547 1061731905 /nfs/dbraw/zinc/73/19/05/1061731905.db2.gz IJUKRNLDQDLJJD-QFIPXVFZSA-N 1 0 455.427 2.668 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC001294221950 1061732617 /nfs/dbraw/zinc/73/26/17/1061732617.db2.gz XXFBQSMIFILEAS-UHFFFAOYSA-N 1 0 480.592 2.959 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)[C@@H]1CCSC1 ZINC001294224194 1061734065 /nfs/dbraw/zinc/73/40/65/1061734065.db2.gz PVYJZHQSCWELPL-QGZVFWFLSA-N 1 0 455.632 2.866 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCC(NC(C)=O)CC1 ZINC001294223990 1061734110 /nfs/dbraw/zinc/73/41/10/1061734110.db2.gz NGSOGRUGDYGBBZ-UHFFFAOYSA-N 1 0 494.644 2.512 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC001294223696 1061734344 /nfs/dbraw/zinc/73/43/44/1061734344.db2.gz JAYJJTAAYUOQSU-QHCPKHFHSA-N 1 0 472.682 2.924 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224412 1061734770 /nfs/dbraw/zinc/73/47/70/1061734770.db2.gz SZJMKUDMTDFWLW-CTNGQTDRSA-N 1 0 472.638 2.649 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC001294225760 1061737247 /nfs/dbraw/zinc/73/72/47/1061737247.db2.gz HTICVKDMLBVMOO-OAQYLSRUSA-N 1 0 454.619 2.913 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001294225991 1061738049 /nfs/dbraw/zinc/73/80/49/1061738049.db2.gz KZGPNUSMOZKFJI-IBGZPJMESA-N 1 0 450.628 2.961 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001294227134 1061741138 /nfs/dbraw/zinc/74/11/38/1061741138.db2.gz ATHBPKYSESIIEI-WIYYLYMNSA-N 1 0 461.680 2.523 20 0 JFADRO Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C[NH+](C)C)nc3)CC2)c(C)c1C ZINC001290027438 1061745768 /nfs/dbraw/zinc/74/57/68/1061745768.db2.gz WMMFFFNTUBPEPR-UHFFFAOYSA-N 1 0 458.628 2.832 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001294229290 1061745765 /nfs/dbraw/zinc/74/57/65/1061745765.db2.gz XEFMHXONZLWDAX-UHFFFAOYSA-N 1 0 472.588 2.939 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C(=O)NC)CC1 ZINC001294229788 1061746370 /nfs/dbraw/zinc/74/63/70/1061746370.db2.gz RXCHEBOGQRPUCC-BGYRXZFFSA-N 1 0 491.681 2.743 20 0 JFADRO C[C@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001286971887 1061750532 /nfs/dbraw/zinc/75/05/32/1061750532.db2.gz LPONXYAPBPEFEK-LJQANCHMSA-N 1 0 459.683 2.629 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001286974383 1061768557 /nfs/dbraw/zinc/76/85/57/1061768557.db2.gz FAFJAWUMFVSCSS-UXHICEINSA-N 1 0 496.681 2.621 20 0 JFADRO CC(C)(C)OC(=O)NC1(CC(=O)N2CCC[C@H](C(N)=O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001290051442 1061769030 /nfs/dbraw/zinc/76/90/30/1061769030.db2.gz VHWARFLMEHBLLW-FQEVSTJZSA-N 1 0 458.603 2.660 20 0 JFADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001294287864 1061775500 /nfs/dbraw/zinc/77/55/00/1061775500.db2.gz RSCGFXVBBUKMSW-GMAHTHKFSA-N 1 0 456.635 2.683 20 0 JFADRO CCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001294287861 1061775543 /nfs/dbraw/zinc/77/55/43/1061775543.db2.gz RSCGFXVBBUKMSW-FYYLOGMGSA-N 1 0 456.635 2.683 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(=O)N4CCOCC4)CC3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290060047 1061780469 /nfs/dbraw/zinc/78/04/69/1061780469.db2.gz PSKDVDVLAVMXDL-UHFFFAOYSA-N 1 0 498.672 2.971 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001286976329 1061783390 /nfs/dbraw/zinc/78/33/90/1061783390.db2.gz DEIRSKQUWCELBO-HBFSDRIKSA-N 1 0 475.663 2.790 20 0 JFADRO CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)n1 ZINC001294296540 1061783781 /nfs/dbraw/zinc/78/37/81/1061783781.db2.gz QXZVRTQLLKXPKK-OAQYLSRUSA-N 1 0 456.639 2.834 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2C[C@H](CC(C)C)[NH+](C)C)c1 ZINC001290062688 1061785549 /nfs/dbraw/zinc/78/55/49/1061785549.db2.gz LVDZHBLPTHWWES-FQEVSTJZSA-N 1 0 497.644 2.662 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCC[NH+]2CCCCC2)c1 ZINC001290062748 1061785641 /nfs/dbraw/zinc/78/56/41/1061785641.db2.gz ODOPSYIPQYCGAK-NRFANRHFSA-N 1 0 461.632 2.665 20 0 JFADRO CCCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH+](CC)CC)CC2)c(C)n1 ZINC001294300072 1061788310 /nfs/dbraw/zinc/78/83/10/1061788310.db2.gz VFNOCNYVTMIQOI-FQEVSTJZSA-N 1 0 491.706 2.844 20 0 JFADRO CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH+](CC)CC)CC2)c(C)n1 ZINC001294300469 1061789227 /nfs/dbraw/zinc/78/92/27/1061789227.db2.gz XMHJZQUKRNTMDU-OAQYLSRUSA-N 1 0 456.639 2.893 20 0 JFADRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC001294300769 1061789451 /nfs/dbraw/zinc/78/94/51/1061789451.db2.gz YNQQVSZMCWNGLA-UHFFFAOYSA-N 1 0 456.631 2.847 20 0 JFADRO CC(C)CC[NH+]1CCC(CNC(=O)Cn2nc(Br)c(Br)n2)CC1 ZINC001294302042 1061789893 /nfs/dbraw/zinc/78/98/93/1061789893.db2.gz MVVQTUUVAUGQJV-UHFFFAOYSA-N 1 0 451.207 2.677 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC001290067346 1061792548 /nfs/dbraw/zinc/79/25/48/1061792548.db2.gz YDKAUVSHUZLSHR-YPAWHYETSA-N 1 0 484.645 2.757 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[NH+]1CCCC1)S(C)(=O)=O ZINC001286978146 1061795971 /nfs/dbraw/zinc/79/59/71/1061795971.db2.gz UYOHZEDAQKYJSA-DLBZAZTESA-N 1 0 469.602 2.891 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2CCC(C)(C)O)c1 ZINC001290070813 1061796322 /nfs/dbraw/zinc/79/63/22/1061796322.db2.gz GVUUQMHBTBJXLD-NRFANRHFSA-N 1 0 457.619 2.875 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001294309362 1061799016 /nfs/dbraw/zinc/79/90/16/1061799016.db2.gz VXIGVHDTWFSVFQ-PWRODBHTSA-N 1 0 496.722 2.674 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294309936 1061799912 /nfs/dbraw/zinc/79/99/12/1061799912.db2.gz CZRSTJZAMGYUFN-HKUYNNGSSA-N 1 0 496.582 2.838 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001294310744 1061801585 /nfs/dbraw/zinc/80/15/85/1061801585.db2.gz JAUOAZZRUOINSC-RTWAWAEBSA-N 1 0 491.706 2.704 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001294312041 1061803398 /nfs/dbraw/zinc/80/33/98/1061803398.db2.gz SBSKTEPKLVZLNS-QRVBRYPASA-N 1 0 485.599 2.957 20 0 JFADRO Cc1cc(CN2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@H](C)[NH+](C)C)CC2)on1 ZINC001290074818 1061803593 /nfs/dbraw/zinc/80/35/93/1061803593.db2.gz PJBITNPPKDTBTC-HXUWFJFHSA-N 1 0 453.591 2.734 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 ZINC001294315557 1061807598 /nfs/dbraw/zinc/80/75/98/1061807598.db2.gz KHOWUEXXWBTYAK-QFIPXVFZSA-N 1 0 459.683 2.630 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001286979566 1061807807 /nfs/dbraw/zinc/80/78/07/1061807807.db2.gz VQUWFABLLGWYSG-YVHKJVDXSA-N 1 0 499.678 2.691 20 0 JFADRO Cc1cnn(C[C@H]2CN(c3nnc(COc4cccc(C)c4)n3C[C@@H](C)[NH+](C)C)CCO2)c1 ZINC001290078110 1061808496 /nfs/dbraw/zinc/80/84/96/1061808496.db2.gz RSOSGGBAYYIWKT-IFMALSPDSA-N 1 0 453.591 2.526 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 ZINC001294316766 1061811312 /nfs/dbraw/zinc/81/13/12/1061811312.db2.gz RIDDPBSYGKKNJE-JOCHJYFZSA-N 1 0 453.635 2.977 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001294316598 1061811464 /nfs/dbraw/zinc/81/14/64/1061811464.db2.gz HOWLAPWMKXPALI-RTWAWAEBSA-N 1 0 457.623 2.794 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC[NH+]1CCCC1 ZINC001286980615 1061814560 /nfs/dbraw/zinc/81/45/60/1061814560.db2.gz KWTBTRHKVXIUHV-ROUUACIJSA-N 1 0 458.632 2.790 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001294318969 1061820535 /nfs/dbraw/zinc/82/05/35/1061820535.db2.gz XPELATLUQKFFJR-FGZHOGPDSA-N 1 0 487.693 2.796 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294319418 1061821924 /nfs/dbraw/zinc/82/19/24/1061821924.db2.gz ZIUZISXVZREZMK-DNRQZRRGSA-N 1 0 476.666 2.640 20 0 JFADRO Cc1cccc(OCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001290087882 1061822154 /nfs/dbraw/zinc/82/21/54/1061822154.db2.gz ZZQPYZHDUMCITG-LJQANCHMSA-N 1 0 461.632 2.534 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001294322687 1061826697 /nfs/dbraw/zinc/82/66/97/1061826697.db2.gz UEAJOQPTLXMEDW-RCZVLFRGSA-N 1 0 481.689 2.926 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294322032 1061826749 /nfs/dbraw/zinc/82/67/49/1061826749.db2.gz PKLOMPFNKVBPCP-RGZWJVDOSA-N 1 0 490.052 2.581 20 0 JFADRO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286983020 1061831632 /nfs/dbraw/zinc/83/16/32/1061831632.db2.gz VBDSWOWOQQOBIZ-UWVAXJGDSA-N 1 0 484.066 2.703 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294325095 1061832740 /nfs/dbraw/zinc/83/27/40/1061832740.db2.gz JDHINGUNHXVERT-VSKRKVRLSA-N 1 0 498.676 2.613 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001286983181 1061833099 /nfs/dbraw/zinc/83/30/99/1061833099.db2.gz RJGQPFGFZSDGJA-QRVBRYPASA-N 1 0 488.658 2.531 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CCn2cccn2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001290106737 1061834748 /nfs/dbraw/zinc/83/47/48/1061834748.db2.gz DFJAESYVEXMVPK-JOCHJYFZSA-N 1 0 464.618 2.529 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001294327553 1061842965 /nfs/dbraw/zinc/84/29/65/1061842965.db2.gz ARLAQONVDAZVML-AFXVXQJMSA-N 1 0 490.693 2.804 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001290114200 1061843713 /nfs/dbraw/zinc/84/37/13/1061843713.db2.gz WGVXHYZMRBMRTQ-UHFFFAOYSA-N 1 0 454.619 2.669 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(CC(N)=O)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290117514 1061844601 /nfs/dbraw/zinc/84/46/01/1061844601.db2.gz MLJMBMCAFPTRQG-UHFFFAOYSA-N 1 0 454.619 2.581 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294329295 1061849349 /nfs/dbraw/zinc/84/93/49/1061849349.db2.gz LGYTVBHJZCRAPT-YPAWHYETSA-N 1 0 490.693 2.539 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290120747 1061850986 /nfs/dbraw/zinc/85/09/86/1061850986.db2.gz QSVUCEPZEQKFOV-NRFANRHFSA-N 1 0 454.619 2.845 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(CC3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294331351 1061855060 /nfs/dbraw/zinc/85/50/60/1061855060.db2.gz FGZOWAMGEUBTAG-IFMALSPDSA-N 1 0 474.694 2.987 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290128214 1061859186 /nfs/dbraw/zinc/85/91/86/1061859186.db2.gz AOZVLTVZSCPOJF-HSZRJFAPSA-N 1 0 481.689 2.832 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(CCOc2ccccc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001286986652 1061864850 /nfs/dbraw/zinc/86/48/50/1061864850.db2.gz RXYTUVAXGVXVDP-UHFFFAOYSA-N 1 0 456.635 2.982 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001294335844 1061872959 /nfs/dbraw/zinc/87/29/59/1061872959.db2.gz RODVWAJABGLGMV-VXKWHMMOSA-N 1 0 487.693 2.911 20 0 JFADRO Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC(N)=O)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290144598 1061879843 /nfs/dbraw/zinc/87/98/43/1061879843.db2.gz BYNVVKPHMRCSBZ-SLFFLAALSA-N 1 0 456.635 2.765 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001294341774 1061890940 /nfs/dbraw/zinc/89/09/40/1061890940.db2.gz JZVAMEUGQYSRPE-PZJWPPBQSA-N 1 0 456.639 2.686 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)C1 ZINC001294343135 1061894799 /nfs/dbraw/zinc/89/47/99/1061894799.db2.gz VHNVVOWYUUFURZ-WZONZLPQSA-N 1 0 459.664 2.843 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(C[N@@H+](C)C(C)C)CC2)n1CCCn1cnnn1 ZINC001290163905 1061902773 /nfs/dbraw/zinc/90/27/73/1061902773.db2.gz BLQLMTKGNARDSW-UHFFFAOYSA-N 1 0 451.623 2.811 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(C[NH+]3CCCCCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001286997477 1061909959 /nfs/dbraw/zinc/90/99/59/1061909959.db2.gz FJMKUWFDXJXOBT-IBGZPJMESA-N 1 0 459.639 2.656 20 0 JFADRO CC(C)(C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCCn1cc(Br)cn1 ZINC001286998367 1061911187 /nfs/dbraw/zinc/91/11/87/1061911187.db2.gz QWDGZRKFRUSEPG-NRFANRHFSA-N 1 0 480.455 2.926 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H]1CCCCS1(=O)=O ZINC001287000722 1061915473 /nfs/dbraw/zinc/91/54/73/1061915473.db2.gz OMJIHAGQZAGQJH-HXUWFJFHSA-N 1 0 467.680 2.624 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001287004213 1061921957 /nfs/dbraw/zinc/92/19/57/1061921957.db2.gz GAGRCIFUSMDUDO-VXKWHMMOSA-N 1 0 489.686 2.594 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCNC(=O)C(C)C ZINC001290177105 1061925922 /nfs/dbraw/zinc/92/59/22/1061925922.db2.gz SJTJVSATUJLCDZ-UHFFFAOYSA-N 1 0 482.673 2.888 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C[NH+](C)C)c2)CC1 ZINC001294357638 1061927246 /nfs/dbraw/zinc/92/72/46/1061927246.db2.gz KOOUCAQAFQPPAS-UHFFFAOYSA-N 1 0 476.629 2.978 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001287006547 1061927354 /nfs/dbraw/zinc/92/73/54/1061927354.db2.gz GCOOQJLGYSYZGM-HXUWFJFHSA-N 1 0 466.696 2.844 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001287007121 1061929967 /nfs/dbraw/zinc/92/99/67/1061929967.db2.gz QOHDBZYHCMMSLR-OAQYLSRUSA-N 1 0 492.665 2.851 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001294359230 1061930478 /nfs/dbraw/zinc/93/04/78/1061930478.db2.gz WMVJTBUJHRJPIZ-XMMPIXPASA-N 1 0 473.691 2.854 20 0 JFADRO CCCCOc1ccc(-c2nnc(N3C[C@@H](C)[C@@H](F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294374332 1061947132 /nfs/dbraw/zinc/94/71/32/1061947132.db2.gz OGPUBWUAWZFUGM-YIGJPRQDSA-N 1 0 461.582 2.993 20 0 JFADRO CCCCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC001294374714 1061948385 /nfs/dbraw/zinc/94/83/85/1061948385.db2.gz SFEYZASHUDVROX-UHFFFAOYSA-N 1 0 470.618 2.567 20 0 JFADRO CCCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294377476 1061950840 /nfs/dbraw/zinc/95/08/40/1061950840.db2.gz RTZMNQZEQQAYNS-NRFANRHFSA-N 1 0 469.634 2.767 20 0 JFADRO CCCCOc1ncccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294377479 1061951059 /nfs/dbraw/zinc/95/10/59/1061951059.db2.gz RTZMNQZEQQAYNS-OAQYLSRUSA-N 1 0 469.634 2.767 20 0 JFADRO Cc1ccccc1OCCN(C)c1nnc(C(=O)NC(C)C)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001290210648 1061954284 /nfs/dbraw/zinc/95/42/84/1061954284.db2.gz BMNDNPDOSKPIOG-UHFFFAOYSA-N 1 0 484.645 2.885 20 0 JFADRO CCCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294382619 1061955714 /nfs/dbraw/zinc/95/57/14/1061955714.db2.gz PKSDOCYOPCEKMJ-IBGZPJMESA-N 1 0 455.607 2.772 20 0 JFADRO 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CC(C)(C)Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC001287022403 1061963124 /nfs/dbraw/zinc/96/31/24/1061963124.db2.gz WIWTVYDWVYCYTG-SANMLTNESA-N 1 0 468.646 2.573 20 0 JFADRO Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290217872 1061963908 /nfs/dbraw/zinc/96/39/08/1061963908.db2.gz NJRZVGVYZPOHFS-FQEVSTJZSA-N 1 0 474.656 2.770 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287023578 1061964957 /nfs/dbraw/zinc/96/49/57/1061964957.db2.gz CZKOLXMKSBWGMJ-UHFFFAOYSA-N 1 0 498.672 2.941 20 0 JFADRO C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC001294407891 1061974114 /nfs/dbraw/zinc/97/41/14/1061974114.db2.gz ZCJRKJWUHMAXRP-MRXNPFEDSA-N 1 0 452.393 2.761 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@H](C(N)=O)C2)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001287030065 1061979631 /nfs/dbraw/zinc/97/96/31/1061979631.db2.gz IPAMUMXJXPSDRF-FCHUYYIVSA-N 1 0 468.646 2.860 20 0 JFADRO C[C@@H]1C[N@@H+](CCCCNC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H](C)O1 ZINC001294414288 1061979886 /nfs/dbraw/zinc/97/98/86/1061979886.db2.gz JPVZEZIWQKRCTK-IXFSTUDKSA-N 1 0 452.596 2.538 20 0 JFADRO CC1=CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001290231829 1061980060 /nfs/dbraw/zinc/98/00/60/1061980060.db2.gz ZSXPGUAVEOTROG-CEXWTWQISA-N 1 0 452.669 2.801 20 0 JFADRO CN(C(=O)c1cccc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1)c1ccccc1 ZINC001294414699 1061980596 /nfs/dbraw/zinc/98/05/96/1061980596.db2.gz OCTBPSMTSOURFN-JOCHJYFZSA-N 1 0 457.596 2.544 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC001287031081 1061982989 /nfs/dbraw/zinc/98/29/89/1061982989.db2.gz WHBPRXJROUYYJF-NRFANRHFSA-N 1 0 489.686 2.867 20 0 JFADRO CCCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001294434575 1061988322 /nfs/dbraw/zinc/98/83/22/1061988322.db2.gz GRNJMOCNGYWJKV-GOSISDBHSA-N 1 0 463.652 2.585 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287033500 1061991562 /nfs/dbraw/zinc/99/15/62/1061991562.db2.gz QSKIXIFRZVIWLH-IBGZPJMESA-N 1 0 459.614 2.574 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(c3ncccc3F)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287033510 1061991629 /nfs/dbraw/zinc/99/16/29/1061991629.db2.gz QSKIXIFRZVIWLH-LJQANCHMSA-N 1 0 459.614 2.574 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001287033645 1061992116 /nfs/dbraw/zinc/99/21/16/1061992116.db2.gz ULQRJNSIZDRWLP-UHFFFAOYSA-N 1 0 482.677 2.952 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1CCCC[NH+]1CCOCC1 ZINC001287034115 1061994114 /nfs/dbraw/zinc/99/41/14/1061994114.db2.gz FTDXQOGUAYOSKH-UHFFFAOYSA-N 1 0 486.636 2.967 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3sccc3C2)C1 ZINC001294453549 1061997756 /nfs/dbraw/zinc/99/77/56/1061997756.db2.gz ABXAHWWVSIWHRX-IBGZPJMESA-N 1 0 473.691 2.704 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC(C)C)nc2)C1 ZINC001294453690 1061998432 /nfs/dbraw/zinc/99/84/32/1061998432.db2.gz DCZNBUQODSWFGX-NRFANRHFSA-N 1 0 469.634 2.913 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nnc(CC)s2)C1 ZINC001294453716 1061998664 /nfs/dbraw/zinc/99/86/64/1061998664.db2.gz DZPXLIGKMUADCE-MRXNPFEDSA-N 1 0 469.619 2.556 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cnc3c(Cl)cnn3c2)C1 ZINC001294454121 1062000087 /nfs/dbraw/zinc/00/00/87/1062000087.db2.gz OBYXPCZTTARYNQ-GOSISDBHSA-N 1 0 488.040 2.523 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)C1 ZINC001294454143 1062000235 /nfs/dbraw/zinc/00/02/35/1062000235.db2.gz OQBLWTXWUFHREG-LJQANCHMSA-N 1 0 455.607 2.910 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)c2ccccc2)C1 ZINC001294454112 1062000328 /nfs/dbraw/zinc/00/03/28/1062000328.db2.gz OARVWMHPXXRYRB-NRFANRHFSA-N 1 0 453.635 2.819 20 0 JFADRO Cc1cnn([C@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@@H+](C)C(C)C)C2)c1 ZINC001290270978 1062000289 /nfs/dbraw/zinc/00/02/89/1062000289.db2.gz CYMMQERNNUARHM-IBGZPJMESA-N 1 0 470.647 2.956 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)Nc2c(C)cccc2C)C1 ZINC001294454941 1062001119 /nfs/dbraw/zinc/00/11/19/1062001119.db2.gz UVXIKIHMRRWZKI-HXUWFJFHSA-N 1 0 469.634 2.840 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2=CCCOC2)C1 ZINC001294455076 1062001260 /nfs/dbraw/zinc/00/12/60/1062001260.db2.gz CCHJTBDLKLAZSC-LJQANCHMSA-N 1 0 473.643 2.863 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCN(C(C)=O)CC2)C1 ZINC001294455082 1062001394 /nfs/dbraw/zinc/00/13/94/1062001394.db2.gz CDCYYZHIVMTZFS-JYFHCDHNSA-N 1 0 490.693 2.745 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccnc(SC)c2)C1 ZINC001294455722 1062003091 /nfs/dbraw/zinc/00/30/91/1062003091.db2.gz ZLSIBYAMBMWCGO-LJQANCHMSA-N 1 0 457.648 2.847 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)C1 ZINC001294456832 1062004660 /nfs/dbraw/zinc/00/46/60/1062004660.db2.gz KBFFDQCACRUCRV-ZWKOTPCHSA-N 1 0 466.627 2.552 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CCOCC2)C1 ZINC001294458015 1062005436 /nfs/dbraw/zinc/00/54/36/1062005436.db2.gz PGMZVFUUTXHLKH-FQEVSTJZSA-N 1 0 475.659 2.943 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccco2)CC1 ZINC001287041187 1062008083 /nfs/dbraw/zinc/00/80/83/1062008083.db2.gz HDTPIKZIAQYBJR-UHFFFAOYSA-N 1 0 465.602 2.845 20 0 JFADRO CC(C)(C)CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)C2CC2)CC1 ZINC001287041121 1062008136 /nfs/dbraw/zinc/00/81/36/1062008136.db2.gz FJNJGKPVQBAIHN-XMMPIXPASA-N 1 0 474.675 2.989 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001294461109 1062009941 /nfs/dbraw/zinc/00/99/41/1062009941.db2.gz ROURTHCWPWVHRG-RTBURBONSA-N 1 0 461.632 2.557 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001294461272 1062010368 /nfs/dbraw/zinc/01/03/68/1062010368.db2.gz VXECKCANFGCLPV-GOSISDBHSA-N 1 0 481.066 2.986 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCCCO)CC1 ZINC001287042852 1062013346 /nfs/dbraw/zinc/01/33/46/1062013346.db2.gz WXOMZADPLILBRC-UHFFFAOYSA-N 1 0 477.679 2.711 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001294464160 1062014395 /nfs/dbraw/zinc/01/43/95/1062014395.db2.gz VBAWOOLGNQEMSG-HXUWFJFHSA-N 1 0 468.627 2.982 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccccn3)n2CCn2cc(Br)cn2)CC1 ZINC001287043283 1062014527 /nfs/dbraw/zinc/01/45/27/1062014527.db2.gz WTJZHXFFRMJWAL-UHFFFAOYSA-N 1 0 459.396 2.920 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(CS(C)(=O)=O)cc2)C1 ZINC001294465980 1062015008 /nfs/dbraw/zinc/01/50/08/1062015008.db2.gz AIOXZKZHQGWMQV-GOTSBHOMSA-N 1 0 489.686 2.933 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001287043464 1062015375 /nfs/dbraw/zinc/01/53/75/1062015375.db2.gz DQDOLJROFOXUAQ-FQEVSTJZSA-N 1 0 475.659 2.739 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)c2ccccc2)C1 ZINC001294467218 1062015801 /nfs/dbraw/zinc/01/58/01/1062015801.db2.gz FFUNKNVSSIPRPL-NNWRFLSQSA-N 1 0 475.659 2.736 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCOCC2(C)C)CC1 ZINC001287043795 1062016434 /nfs/dbraw/zinc/01/64/34/1062016434.db2.gz LVTUWKBAYAOPER-UHFFFAOYSA-N 1 0 470.662 2.931 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001287043576 1062016518 /nfs/dbraw/zinc/01/65/18/1062016518.db2.gz IEZXJRIPCOTLTP-OAQYLSRUSA-N 1 0 454.619 2.799 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2OC)C1 ZINC001294467553 1062016826 /nfs/dbraw/zinc/01/68/26/1062016826.db2.gz GWIKKUJZYRJLNO-FPOVZHCZSA-N 1 0 475.659 2.600 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001294468076 1062017533 /nfs/dbraw/zinc/01/75/33/1062017533.db2.gz KILTVIMFZGCXNQ-FCHUYYIVSA-N 1 0 454.619 2.609 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001287044130 1062018266 /nfs/dbraw/zinc/01/82/66/1062018266.db2.gz QRQXHQAVCFDMMK-UHFFFAOYSA-N 1 0 453.635 2.977 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2OC)C1 ZINC001294468244 1062018977 /nfs/dbraw/zinc/01/89/77/1062018977.db2.gz LIHRDKUIBQAHAD-PZJWPPBQSA-N 1 0 475.659 2.714 20 0 JFADRO O=C(N1CCN(CC[NH+]2CCCC2)CC1)C1(c2ccc(I)cc2)CC1 ZINC001290290364 1062019387 /nfs/dbraw/zinc/01/93/87/1062019387.db2.gz ZRRVKNMDXNYGGP-UHFFFAOYSA-N 1 0 453.368 2.563 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)Oc2cccc(F)c2)C1 ZINC001294468882 1062019539 /nfs/dbraw/zinc/01/95/39/1062019539.db2.gz RDDIQSWTFUXLFF-HSALFYBXSA-N 1 0 493.649 2.955 20 0 JFADRO 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CCCN(Cc1ccc(F)cc1F)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001294537046 1062070047 /nfs/dbraw/zinc/07/00/47/1062070047.db2.gz CUVQWYBKOOVIJI-XMMPIXPASA-N 1 0 473.572 2.901 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 ZINC001287055821 1062072522 /nfs/dbraw/zinc/07/25/22/1062072522.db2.gz YPTFZEVYXKXUKO-RTBURBONSA-N 1 0 489.665 2.592 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC(=O)N2)C1 ZINC001287055819 1062072658 /nfs/dbraw/zinc/07/26/58/1062072658.db2.gz YPTFZEVYXKXUKO-RBUKOAKNSA-N 1 0 489.665 2.592 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC001290367935 1062073268 /nfs/dbraw/zinc/07/32/68/1062073268.db2.gz FBVUSEASJCUXED-UHFFFAOYSA-N 1 0 458.588 2.803 20 0 JFADRO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001294555866 1062077783 /nfs/dbraw/zinc/07/77/83/1062077783.db2.gz YODDJUBSMWKHEO-PCCBWWKXSA-N 1 0 459.587 2.956 20 0 JFADRO 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Cc1nc(Cc2nnc(N(C)CC3COC(C)(C)OC3)n2C[C@]2([NH+](C)C)CCSC2)cs1 ZINC001290398728 1062099816 /nfs/dbraw/zinc/09/98/16/1062099816.db2.gz PFDMBWWZJZYEQO-JOCHJYFZSA-N 1 0 480.704 2.906 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287062984 1062111081 /nfs/dbraw/zinc/11/10/81/1062111081.db2.gz GGWFUMWSZBHJGV-NHCUHLMSSA-N 1 0 476.666 2.819 20 0 JFADRO Cc1nc(Cc2nnc(N(CCO)Cc3ccccc3)n2CC2([NH+](C)C)CCOCC2)cs1 ZINC001290403957 1062112442 /nfs/dbraw/zinc/11/24/42/1062112442.db2.gz DDGODPJNSLEAKR-UHFFFAOYSA-N 1 0 470.643 2.744 20 0 JFADRO Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2CCCC[N@@H+]2CCCC[C@H]2C)cs1 ZINC001290404339 1062114353 /nfs/dbraw/zinc/11/43/53/1062114353.db2.gz ICUBBQRPUIXROE-MSOLQXFVSA-N 1 0 459.664 2.955 20 0 JFADRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCNC(=O)N3CCc4ccccc4C3)nc2)CC1 ZINC001294611949 1062121957 /nfs/dbraw/zinc/12/19/57/1062121957.db2.gz ITVSYQBPPRNFMP-UHFFFAOYSA-N 1 0 450.587 2.709 20 0 JFADRO CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001294624141 1062131576 /nfs/dbraw/zinc/13/15/76/1062131576.db2.gz CXNZCKKTOHZTSX-UHFFFAOYSA-N 1 0 467.662 2.748 20 0 JFADRO CCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001294626361 1062133705 /nfs/dbraw/zinc/13/37/05/1062133705.db2.gz KPSLSKZYSHXDGB-UHFFFAOYSA-N 1 0 482.677 2.683 20 0 JFADRO COC(=O)[C@@H]1CO[C@H](CCC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001290416437 1062137811 /nfs/dbraw/zinc/13/78/11/1062137811.db2.gz VSLPJYLPXBHSNJ-FXAWDEMLSA-N 1 0 471.520 2.692 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CCCn2ccnn2)cs1 ZINC001290416466 1062137838 /nfs/dbraw/zinc/13/78/38/1062137838.db2.gz AFGJQEXFDNRARE-UHFFFAOYSA-N 1 0 457.652 2.872 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC001294631569 1062138047 /nfs/dbraw/zinc/13/80/47/1062138047.db2.gz BKAWJCDDYHHQIX-IBGZPJMESA-N 1 0 475.663 2.881 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cn(C)nc2C(F)(F)F)C1 ZINC001294631625 1062139050 /nfs/dbraw/zinc/13/90/50/1062139050.db2.gz CILFYCWYQXXMBQ-MRXNPFEDSA-N 1 0 482.555 2.635 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CCN2CCOC(C)(C)C2)cs1 ZINC001290417052 1062140727 /nfs/dbraw/zinc/14/07/27/1062140727.db2.gz GLFLFXQRYMYQDT-UHFFFAOYSA-N 1 0 461.680 2.711 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC001294633084 1062142180 /nfs/dbraw/zinc/14/21/80/1062142180.db2.gz LMJCDGICGFYMMO-UHFFFAOYSA-N 1 0 499.660 2.874 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(CC)CC)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001294633437 1062143325 /nfs/dbraw/zinc/14/33/25/1062143325.db2.gz OJNUFXDCZZEKKB-OAQYLSRUSA-N 1 0 496.722 2.722 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(F)c(OC)c3)CC2)C1 ZINC001294633539 1062143492 /nfs/dbraw/zinc/14/34/92/1062143492.db2.gz PKTDBXUFZNLWRD-IBGZPJMESA-N 1 0 487.624 2.623 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CCOCC(F)F)cs1 ZINC001290417820 1062147408 /nfs/dbraw/zinc/14/74/08/1062147408.db2.gz TXHJJBBVRHOOCI-LJQANCHMSA-N 1 0 483.633 2.520 20 0 JFADRO CCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001294635589 1062147580 /nfs/dbraw/zinc/14/75/80/1062147580.db2.gz BGTXRQNZUBOJED-RBUKOAKNSA-N 1 0 475.638 2.503 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)C1 ZINC001294637026 1062149857 /nfs/dbraw/zinc/14/98/57/1062149857.db2.gz AKACAQIJCYYCPJ-HXUWFJFHSA-N 1 0 496.660 2.741 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001287066751 1062150356 /nfs/dbraw/zinc/15/03/56/1062150356.db2.gz IHRCZAWFQBHJBC-UHFFFAOYSA-N 1 0 477.654 2.740 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001294639729 1062155483 /nfs/dbraw/zinc/15/54/83/1062155483.db2.gz VTKXBYANASISGF-FQEVSTJZSA-N 1 0 455.607 2.909 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC3(CCC3)C[C@@H]2CC)C1 ZINC001294639842 1062156570 /nfs/dbraw/zinc/15/65/70/1062156570.db2.gz XUWXAGXZOZGVKN-FHWLQOOXSA-N 1 0 452.669 2.779 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@H]2CCC[N@@H+]2CCCO)cs1 ZINC001290421861 1062159359 /nfs/dbraw/zinc/15/93/59/1062159359.db2.gz RXHPABUEJIQXAH-GOSISDBHSA-N 1 0 481.464 2.970 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC=C(Br)C3)n2C[C@@H]2CCC[N@@H+]2CCCO)cs1 ZINC001290421862 1062159419 /nfs/dbraw/zinc/15/94/19/1062159419.db2.gz RXHPABUEJIQXAH-SFHVURJKSA-N 1 0 481.464 2.970 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001294641295 1062160423 /nfs/dbraw/zinc/16/04/23/1062160423.db2.gz LSQBQXYYQHINAN-FHWLQOOXSA-N 1 0 458.582 2.956 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C(N)=O)C2)C1 ZINC001294641313 1062161962 /nfs/dbraw/zinc/16/19/62/1062161962.db2.gz LWXIBTRLWBARBC-GBESFXJTSA-N 1 0 458.582 2.991 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](F)[C@@H](c3ccccc3)C2)C1 ZINC001294641304 1062162080 /nfs/dbraw/zinc/16/20/80/1062162080.db2.gz LUCOUFWDKIYMCY-UYWIDEMCSA-N 1 0 478.638 2.562 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001294642291 1062165270 /nfs/dbraw/zinc/16/52/70/1062165270.db2.gz UCNMPDNUCRACQC-FUHWJXTLSA-N 1 0 463.545 2.892 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001290424183 1062166713 /nfs/dbraw/zinc/16/67/13/1062166713.db2.gz QYSAUBNXRDTAMB-QUCCMNQESA-N 1 0 459.664 2.846 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001287067995 1062167566 /nfs/dbraw/zinc/16/75/66/1062167566.db2.gz DZJHKICMTGGHGT-HXUWFJFHSA-N 1 0 489.665 2.628 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1 ZINC001294645284 1062171719 /nfs/dbraw/zinc/17/17/19/1062171719.db2.gz ATANGAPXMLEJAC-FPOVZHCZSA-N 1 0 471.650 2.615 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001287068617 1062173356 /nfs/dbraw/zinc/17/33/56/1062173356.db2.gz CLPWVWDJDBPNNX-IBGZPJMESA-N 1 0 470.622 2.962 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](CNC(C)=O)C2)C1 ZINC001294645712 1062174159 /nfs/dbraw/zinc/17/41/59/1062174159.db2.gz FLKXAHOLRMBPEZ-PKOBYXMFSA-N 1 0 479.000 2.811 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294646730 1062178544 /nfs/dbraw/zinc/17/85/44/1062178544.db2.gz NWUWDLMEUHRVOD-UYAOXDASSA-N 1 0 470.618 2.751 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294647007 1062179494 /nfs/dbraw/zinc/17/94/94/1062179494.db2.gz QSBZNCOAVSWHHG-SJLPKXTDSA-N 1 0 482.050 2.962 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCc2cccc(C(N)=O)c2)cs1 ZINC001290428102 1062179762 /nfs/dbraw/zinc/17/97/62/1062179762.db2.gz DKIXMJRGYHZUHP-UHFFFAOYSA-N 1 0 467.643 2.896 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(CC)cc3)nnc2N2CCC(NC(=O)COC)CC2)C1 ZINC001294647028 1062180764 /nfs/dbraw/zinc/18/07/64/1062180764.db2.gz RFTQZUKQNQXHSV-NRFANRHFSA-N 1 0 468.646 2.971 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2C[C@]2(O)CCSC2)cs1 ZINC001290428654 1062181556 /nfs/dbraw/zinc/18/15/56/1062181556.db2.gz NZXWBTIFAMWASF-OAQYLSRUSA-N 1 0 450.678 2.812 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001294647286 1062182725 /nfs/dbraw/zinc/18/27/25/1062182725.db2.gz SOAQKKAJOZIZCR-QUCCMNQESA-N 1 0 470.618 2.751 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001294647505 1062183765 /nfs/dbraw/zinc/18/37/65/1062183765.db2.gz DWFNBDMNIXWIDQ-UHFFFAOYSA-N 1 0 488.080 2.931 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001294647802 1062184693 /nfs/dbraw/zinc/18/46/93/1062184693.db2.gz GHMLZAVMXXNISF-UHFFFAOYSA-N 1 0 491.658 2.662 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C(=O)c4ccsc4)CC3)n2CC[N@@H+](C)C(C)C)cs1 ZINC001290432011 1062194064 /nfs/dbraw/zinc/19/40/64/1062194064.db2.gz MFIXOCHRFVWSFT-UHFFFAOYSA-N 1 0 473.672 2.998 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001294650020 1062194513 /nfs/dbraw/zinc/19/45/13/1062194513.db2.gz HHCZXZUHTLOPFT-UHFFFAOYSA-N 1 0 454.623 2.552 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)C[C@@H](C)C(=O)NC)C1 ZINC001294649967 1062194650 /nfs/dbraw/zinc/19/46/50/1062194650.db2.gz GALGWIPNJOCKFT-WOJBJXKFSA-N 1 0 464.618 2.681 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001294650610 1062195756 /nfs/dbraw/zinc/19/57/56/1062195756.db2.gz KSSMGQVRQMKYKR-UHFFFAOYSA-N 1 0 454.623 2.741 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCCOCC2)CC1 ZINC001294651686 1062198035 /nfs/dbraw/zinc/19/80/35/1062198035.db2.gz ZYDWCRPOQCPSBR-UHFFFAOYSA-N 1 0 490.674 2.544 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001294655644 1062200103 /nfs/dbraw/zinc/20/01/03/1062200103.db2.gz DBTXXSIUKDQIEA-UHFFFAOYSA-N 1 0 466.696 2.918 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC)c(OC)c2)C1 ZINC001294656837 1062201794 /nfs/dbraw/zinc/20/17/94/1062201794.db2.gz IJQIMPHSKGDSQH-OALUTQOASA-N 1 0 456.591 2.615 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001294658392 1062204629 /nfs/dbraw/zinc/20/46/29/1062204629.db2.gz PJQRACFFPSVGBF-JOCHJYFZSA-N 1 0 454.619 2.900 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294658487 1062205420 /nfs/dbraw/zinc/20/54/20/1062205420.db2.gz QXBSATXLRRINLH-PMACEKPBSA-N 1 0 467.618 2.653 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001287072181 1062206108 /nfs/dbraw/zinc/20/61/08/1062206108.db2.gz SUQHFWIRJCUZLP-HXUWFJFHSA-N 1 0 453.591 2.629 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(N(C)C(=O)OCC)CC2)C1 ZINC001294659026 1062206615 /nfs/dbraw/zinc/20/66/15/1062206615.db2.gz RXZKJNFIJJJICU-PMACEKPBSA-N 1 0 462.639 2.961 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)C[C@@H]2CCOC2)C1 ZINC001294659402 1062208005 /nfs/dbraw/zinc/20/80/05/1062208005.db2.gz UWTUEQBXGDKYPL-PCCBWWKXSA-N 1 0 492.665 2.791 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)C)nnc2N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC001294660854 1062210392 /nfs/dbraw/zinc/21/03/92/1062210392.db2.gz FVWHTMMXSZRPRR-OAQYLSRUSA-N 1 0 470.666 2.996 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@H]3C)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cs1 ZINC001290440874 1062211035 /nfs/dbraw/zinc/21/10/35/1062211035.db2.gz YMRCIEVLQUABKZ-VQIMIIECSA-N 1 0 477.704 2.518 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001290440870 1062211231 /nfs/dbraw/zinc/21/12/31/1062211231.db2.gz YMRCIEVLQUABKZ-LPHOPBHVSA-N 1 0 477.704 2.518 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001294661958 1062213670 /nfs/dbraw/zinc/21/36/70/1062213670.db2.gz XRSPGOKVCRUQOP-GOSISDBHSA-N 1 0 481.613 2.892 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)C1 ZINC001294661927 1062213694 /nfs/dbraw/zinc/21/36/94/1062213694.db2.gz CNNURWAIYXRRHD-XZOQPEGZSA-N 1 0 467.662 2.984 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001294662671 1062214965 /nfs/dbraw/zinc/21/49/65/1062214965.db2.gz PDYJKEODJADOMS-OAQYLSRUSA-N 1 0 475.659 2.623 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001294663118 1062215238 /nfs/dbraw/zinc/21/52/38/1062215238.db2.gz QSVLPFXYKMOCSM-QFIPXVFZSA-N 1 0 474.675 2.789 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccsc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001294665616 1062217304 /nfs/dbraw/zinc/21/73/04/1062217304.db2.gz ZPJVLTLSKJYKCM-IBGZPJMESA-N 1 0 480.704 2.523 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001294666160 1062218646 /nfs/dbraw/zinc/21/86/46/1062218646.db2.gz ANPGWCGMIIZORX-UHFFFAOYSA-N 1 0 456.639 2.670 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(F)cc3)nnc2N2CCC(CC(N)=O)CC2)C1 ZINC001294666158 1062218702 /nfs/dbraw/zinc/21/87/02/1062218702.db2.gz AMCPZYKBEAUXEP-LJQANCHMSA-N 1 0 458.582 2.820 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001294667360 1062221712 /nfs/dbraw/zinc/22/17/12/1062221712.db2.gz YTQPPXGQUUJSTG-HXUWFJFHSA-N 1 0 454.619 2.954 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001294667934 1062223021 /nfs/dbraw/zinc/22/30/21/1062223021.db2.gz CWLODQKQRRETAB-HXUWFJFHSA-N 1 0 466.696 2.603 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C(=O)NC)C2)C1 ZINC001294669843 1062225941 /nfs/dbraw/zinc/22/59/41/1062225941.db2.gz MHWSKPWIXQPPRA-DOIPELPJSA-N 1 0 460.667 2.891 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001294670351 1062227782 /nfs/dbraw/zinc/22/77/82/1062227782.db2.gz SMKLCANDIYSGOB-RTWAWAEBSA-N 1 0 475.659 2.829 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001294671373 1062229287 /nfs/dbraw/zinc/22/92/87/1062229287.db2.gz WDQLKUISCRYHFG-NRFANRHFSA-N 1 0 464.618 2.607 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 ZINC001294674049 1062232870 /nfs/dbraw/zinc/23/28/70/1062232870.db2.gz CLDWXURKWYHAQH-UHFFFAOYSA-N 1 0 481.645 2.623 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001294674670 1062234187 /nfs/dbraw/zinc/23/41/87/1062234187.db2.gz LZSWEORHYGYNER-OWSLCNJRSA-N 1 0 461.529 2.502 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C(F)(F)F)C2)C1 ZINC001294674672 1062234388 /nfs/dbraw/zinc/23/43/88/1062234388.db2.gz LZSWEORHYGYNER-XSLAGTTESA-N 1 0 461.529 2.502 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001294675051 1062235539 /nfs/dbraw/zinc/23/55/39/1062235539.db2.gz FEZPPIBBWDNCPU-INIZCTEOSA-N 1 0 481.667 2.533 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001294675054 1062235669 /nfs/dbraw/zinc/23/56/69/1062235669.db2.gz FGPMBAACZDXUMP-SANMLTNESA-N 1 0 492.709 2.740 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([S@](C)=O)CCC2)CC1 ZINC001294675014 1062235815 /nfs/dbraw/zinc/23/58/15/1062235815.db2.gz DJSGGMNGXZMRAG-RBBQXQBVSA-N 1 0 481.707 2.931 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001294675285 1062236269 /nfs/dbraw/zinc/23/62/69/1062236269.db2.gz HRPFOEFXIUQWFJ-RBUKOAKNSA-N 1 0 495.466 2.897 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cc(Br)cn3C)n2CCC(=O)N(C)C)CC1 ZINC001294675533 1062236331 /nfs/dbraw/zinc/23/63/31/1062236331.db2.gz JEJCVFPEABLSDZ-UHFFFAOYSA-N 1 0 480.455 2.835 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 ZINC001294675216 1062236390 /nfs/dbraw/zinc/23/63/90/1062236390.db2.gz GRQMBDNNSWUPQD-LQBOVUBWSA-N 1 0 470.684 2.547 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC(F)(F)c2ccccc2)CC1 ZINC001294675656 1062236879 /nfs/dbraw/zinc/23/68/79/1062236879.db2.gz MIHNFCWSAGGKTI-KRWDZBQOSA-N 1 0 484.617 2.991 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccn3C)n2Cc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC001294676793 1062238073 /nfs/dbraw/zinc/23/80/73/1062238073.db2.gz CECJMXPUQWCKCX-UHFFFAOYSA-N 1 0 499.685 2.893 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccccc3Br)n2CCS(=O)(=O)NC)CC1 ZINC001294677038 1062238205 /nfs/dbraw/zinc/23/82/05/1062238205.db2.gz FCZJIZMHKIBREW-UHFFFAOYSA-N 1 0 499.479 2.567 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)N(C)CC)CC1 ZINC001294677039 1062238322 /nfs/dbraw/zinc/23/83/22/1062238322.db2.gz FECLTDLRWYKYMD-UHFFFAOYSA-N 1 0 456.591 2.505 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)COC)CC1 ZINC001294679513 1062239517 /nfs/dbraw/zinc/23/95/17/1062239517.db2.gz ZKBCCBXXKCXAKJ-SFHVURJKSA-N 1 0 453.595 2.514 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)Oc2ccccc2)CC1 ZINC001294682585 1062240751 /nfs/dbraw/zinc/24/07/51/1062240751.db2.gz DIRKBAUBPBPVJA-VQTJNVASSA-N 1 0 475.659 2.958 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCC(=O)NC)CC1 ZINC001294682595 1062240910 /nfs/dbraw/zinc/24/09/10/1062240910.db2.gz DOMJQIJPAJICOZ-LJQANCHMSA-N 1 0 491.681 2.839 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3cnccn3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001294682879 1062241556 /nfs/dbraw/zinc/24/15/56/1062241556.db2.gz BCZFPMPXWKKLFU-UHFFFAOYSA-N 1 0 483.642 2.692 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001294683102 1062242015 /nfs/dbraw/zinc/24/20/15/1062242015.db2.gz LGWDNFMVTDTQSR-HXUWFJFHSA-N 1 0 475.659 2.739 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)cc2)CC1 ZINC001294683412 1062242390 /nfs/dbraw/zinc/24/23/90/1062242390.db2.gz NWOPQNOLYSOZFL-IBGZPJMESA-N 1 0 461.632 2.548 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3COc4ccccc4O3)n2CC[S@](=O)CC)CC1 ZINC001294684167 1062243884 /nfs/dbraw/zinc/24/38/84/1062243884.db2.gz SWQNNHOTLCGXCG-GFJKYASSSA-N 1 0 461.632 2.870 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)CC1 ZINC001294684537 1062244871 /nfs/dbraw/zinc/24/48/71/1062244871.db2.gz RIJXQLMRIZUISI-UHFFFAOYSA-N 1 0 454.522 2.946 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccccc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001294685163 1062245798 /nfs/dbraw/zinc/24/57/98/1062245798.db2.gz BQJHLXJOUKFKEU-HSZRJFAPSA-N 1 0 488.702 2.798 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3cc(C)ccc3C)n2Cc2ncn(C)n2)CC1 ZINC001294685483 1062246317 /nfs/dbraw/zinc/24/63/17/1062246317.db2.gz FMDNEINVVVFNKS-UHFFFAOYSA-N 1 0 452.607 2.961 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CNC(=O)c3cccs3)n2Cc2cnn(CC)c2)CC1 ZINC001294685851 1062246349 /nfs/dbraw/zinc/24/63/49/1062246349.db2.gz IRNDKSUMMBQKSM-UHFFFAOYSA-N 1 0 470.647 2.845 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C)cc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001294691808 1062250997 /nfs/dbraw/zinc/25/09/97/1062250997.db2.gz BXLFETXTNAUHNX-UHFFFAOYSA-N 1 0 484.645 2.725 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001294691959 1062251617 /nfs/dbraw/zinc/25/16/17/1062251617.db2.gz DXIYIHIUDJOMFD-HXUWFJFHSA-N 1 0 489.665 2.836 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCC(=O)NC ZINC001294693791 1062253371 /nfs/dbraw/zinc/25/33/71/1062253371.db2.gz IFHJOZFTKUDBGL-QGZVFWFLSA-N 1 0 480.455 2.883 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(C)n3Cc3ccccc3OCC[NH+](C)C)CC2)cs1 ZINC001290468067 1062254165 /nfs/dbraw/zinc/25/41/65/1062254165.db2.gz DAJKGCRXTYDBJI-UHFFFAOYSA-N 1 0 455.632 2.662 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 ZINC001294694233 1062254279 /nfs/dbraw/zinc/25/42/79/1062254279.db2.gz KDJAIMUATKGMCL-NRFANRHFSA-N 1 0 483.665 2.578 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 ZINC001294694686 1062255339 /nfs/dbraw/zinc/25/53/39/1062255339.db2.gz LJQIELDDIDHHIV-NRFANRHFSA-N 1 0 472.659 2.980 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001294695062 1062256020 /nfs/dbraw/zinc/25/60/20/1062256020.db2.gz XZBGQOHHKVIUOB-REWPJTCUSA-N 1 0 485.633 2.714 20 0 JFADRO Cc1nc(CN2CCCN(c3nnc([C@@H]4CCCCO4)n3CC(C)(C)C[NH+](C)C)CC2)no1 ZINC001290468688 1062256180 /nfs/dbraw/zinc/25/61/80/1062256180.db2.gz QSDJUZQWVYSGAZ-IBGZPJMESA-N 1 0 460.627 2.511 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(CC)CCS(C)(=O)=O ZINC001294695883 1062257106 /nfs/dbraw/zinc/25/71/06/1062257106.db2.gz ARCKCNGZMRBCBT-FQEVSTJZSA-N 1 0 491.658 2.852 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(C)n3Cc3cccc(OCC[NH+](C)C)c3)CC2)cs1 ZINC001290469140 1062257712 /nfs/dbraw/zinc/25/77/12/1062257712.db2.gz NGBVSVVEVLQUIG-UHFFFAOYSA-N 1 0 455.632 2.662 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294697990 1062260156 /nfs/dbraw/zinc/26/01/56/1062260156.db2.gz HQFYHJIGCDXEDU-FQEVSTJZSA-N 1 0 489.068 2.516 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294699318 1062262588 /nfs/dbraw/zinc/26/25/88/1062262588.db2.gz OREQPDUVAQPQKG-UXHICEINSA-N 1 0 458.611 2.658 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(=O)NC ZINC001294700230 1062265233 /nfs/dbraw/zinc/26/52/33/1062265233.db2.gz VOXFMHUCZPEJCW-JOCHJYFZSA-N 1 0 464.618 2.968 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001294705595 1062269021 /nfs/dbraw/zinc/26/90/21/1062269021.db2.gz BWNGYOSQGJGDNI-BHDDXSALSA-N 1 0 496.722 2.748 20 0 JFADRO CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCCCCO ZINC001287087941 1062269246 /nfs/dbraw/zinc/26/92/46/1062269246.db2.gz QLZABPXEFUYDIO-BHDDXSALSA-N 1 0 463.667 2.908 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294706328 1062269630 /nfs/dbraw/zinc/26/96/30/1062269630.db2.gz ASICCRCNEYRCAP-RTWAWAEBSA-N 1 0 457.623 2.794 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294705893 1062269703 /nfs/dbraw/zinc/26/97/03/1062269703.db2.gz FICFZRBVKHVORR-OALUTQOASA-N 1 0 454.685 2.601 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC001294706820 1062271013 /nfs/dbraw/zinc/27/10/13/1062271013.db2.gz LTCOGUFEJSBMMR-JOCHJYFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294707724 1062271774 /nfs/dbraw/zinc/27/17/74/1062271774.db2.gz AIOBDAOTUODWEQ-RBUKOAKNSA-N 1 0 458.582 2.962 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)CC1 ZINC001294708405 1062274612 /nfs/dbraw/zinc/27/46/12/1062274612.db2.gz ISZMWOJJMDSIAI-JOCHJYFZSA-N 1 0 454.619 2.833 20 0 JFADRO CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287089180 1062275104 /nfs/dbraw/zinc/27/51/04/1062275104.db2.gz RFQQYCBFPHCATH-IQVDJAOASA-N 1 0 481.066 2.699 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001294708576 1062275662 /nfs/dbraw/zinc/27/56/62/1062275662.db2.gz SEPWKUORRGGTND-VQTJNVASSA-N 1 0 496.703 2.573 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294710997 1062279584 /nfs/dbraw/zinc/27/95/84/1062279584.db2.gz OWBCTMYQGLVUAJ-MSOLQXFVSA-N 1 0 456.557 3.000 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C ZINC001294713126 1062283648 /nfs/dbraw/zinc/28/36/48/1062283648.db2.gz TYYZGJYNWYPDKH-MOPGFXCFSA-N 1 0 459.639 2.607 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001294712968 1062284261 /nfs/dbraw/zinc/28/42/61/1062284261.db2.gz WTHSIEVGNWGJNQ-LEWJYISDSA-N 1 0 494.731 2.961 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001294712947 1062284302 /nfs/dbraw/zinc/28/43/02/1062284302.db2.gz WLHODXFZPBKNKS-QFIPXVFZSA-N 1 0 453.635 2.833 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294713338 1062286397 /nfs/dbraw/zinc/28/63/97/1062286397.db2.gz YRISVMFDAFXHDE-FCHUYYIVSA-N 1 0 459.660 2.951 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294713614 1062287054 /nfs/dbraw/zinc/28/70/54/1062287054.db2.gz ZTGQBKDCJAIRGQ-PMACEKPBSA-N 1 0 463.623 2.896 20 0 JFADRO CCCN1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1=O ZINC001294718520 1062290024 /nfs/dbraw/zinc/29/00/24/1062290024.db2.gz AOEBAVPKDIURKY-BKMJKUGQSA-N 1 0 490.693 2.888 20 0 JFADRO CCCN1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2([NH+](C)C)CCCC2)CC1=O ZINC001294718558 1062290055 /nfs/dbraw/zinc/29/00/55/1062290055.db2.gz BBGPOYROPOTACG-VWLOTQADSA-N 1 0 476.666 2.642 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC001294718572 1062290565 /nfs/dbraw/zinc/29/05/65/1062290565.db2.gz BKBAQOLFKAZANG-IBGZPJMESA-N 1 0 492.466 2.835 20 0 JFADRO CC(C)(Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[C@H](C(N)=O)C1)C(F)(F)F ZINC001287093908 1062293412 /nfs/dbraw/zinc/29/34/12/1062293412.db2.gz PIOBTDPGSJEUFL-SFHVURJKSA-N 1 0 493.578 2.543 20 0 JFADRO Cc1nccc(N2CCN(c3nnc([C@@H]4CCCN4C(=O)OC(C)(C)C)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001290501787 1062295304 /nfs/dbraw/zinc/29/53/04/1062295304.db2.gz RWJVITACTIMBIH-QUCCMNQESA-N 1 0 499.664 2.725 20 0 JFADRO CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1)[NH+]1CCCCC1 ZINC001287095021 1062297509 /nfs/dbraw/zinc/29/75/09/1062297509.db2.gz QNJBKAICVFSTCR-UHFFFAOYSA-N 1 0 472.609 2.743 20 0 JFADRO Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001290503805 1062299967 /nfs/dbraw/zinc/29/99/67/1062299967.db2.gz LWYXUFRONDPEJI-UHFFFAOYSA-N 1 0 456.639 2.856 20 0 JFADRO CC(C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001287101582 1062311572 /nfs/dbraw/zinc/31/15/72/1062311572.db2.gz FRSQGPWJOPGHFJ-OTWHNJEPSA-N 1 0 462.639 2.884 20 0 JFADRO CCCN1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CC1=O ZINC001294733663 1062315411 /nfs/dbraw/zinc/31/54/11/1062315411.db2.gz MSODWNUOILOXSZ-DHIUTWEWSA-N 1 0 490.693 2.758 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC001294734310 1062317372 /nfs/dbraw/zinc/31/73/72/1062317372.db2.gz SQQFCBYTIXPHJT-HSZRJFAPSA-N 1 0 486.636 2.814 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1=O ZINC001294735219 1062319827 /nfs/dbraw/zinc/31/98/27/1062319827.db2.gz NFLLOVBDVVBMAI-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+](C)Cc2ccccc2)CC1 ZINC001287108739 1062320452 /nfs/dbraw/zinc/32/04/52/1062320452.db2.gz DKZIIENYHBVRTD-JOCHJYFZSA-N 1 0 454.619 2.609 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccsc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC001294735506 1062320922 /nfs/dbraw/zinc/32/09/22/1062320922.db2.gz UZKLUJGAQYDQCY-PMACEKPBSA-N 1 0 474.675 2.878 20 0 JFADRO CCCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCCC[C@@H]2CC)CC1=O ZINC001294739827 1062323014 /nfs/dbraw/zinc/32/30/14/1062323014.db2.gz JYCGCIZZOGCWKV-QFIPXVFZSA-N 1 0 470.666 2.853 20 0 JFADRO CCCN1CCCN(c2nnc(CCOc3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC1=O ZINC001294740192 1062323415 /nfs/dbraw/zinc/32/34/15/1062323415.db2.gz MLXZFOJKKSEVAM-RUZDIDTESA-N 1 0 486.686 2.786 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)C1(O)CN(C(=O)OCc2ccccc2)C1)c1cccc(OC)c1 ZINC001290522777 1062323470 /nfs/dbraw/zinc/32/34/70/1062323470.db2.gz DHLOQJYGWSTOFG-JOCHJYFZSA-N 1 0 455.555 2.578 20 0 JFADRO Cc1cc(NC(=O)CNC(=O)c2ccc(Br)s2)ccc1N1CC[NH+](C)CC1 ZINC001290527720 1062328215 /nfs/dbraw/zinc/32/82/15/1062328215.db2.gz RVOXEUIEWQPFBQ-UHFFFAOYSA-N 1 0 451.390 2.939 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287113755 1062333607 /nfs/dbraw/zinc/33/36/07/1062333607.db2.gz OBVGQMUWGAWWSJ-FQEVSTJZSA-N 1 0 464.618 2.504 20 0 JFADRO CCCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C[NH+]2CCCC2)CC1=O ZINC001294743908 1062334125 /nfs/dbraw/zinc/33/41/25/1062334125.db2.gz ZJZRTTXDMLTPIK-UNMCSNQZSA-N 1 0 476.666 2.573 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001294744207 1062335071 /nfs/dbraw/zinc/33/50/71/1062335071.db2.gz OOKZTRQZNKJHNQ-NRFANRHFSA-N 1 0 473.666 2.520 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)=O)CC1 ZINC001294744136 1062335187 /nfs/dbraw/zinc/33/51/87/1062335187.db2.gz MWOYEZAAIPDHJN-QFIPXVFZSA-N 1 0 467.618 2.690 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001287114023 1062335107 /nfs/dbraw/zinc/33/51/07/1062335107.db2.gz BJNXVTBPRHKNHX-UHFFFAOYSA-N 1 0 495.716 2.784 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@H](C)C1 ZINC001294744178 1062335234 /nfs/dbraw/zinc/33/52/34/1062335234.db2.gz ODMFLGDIUKZZQV-GGPKGHCWSA-N 1 0 476.647 2.550 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001287114096 1062335683 /nfs/dbraw/zinc/33/56/83/1062335683.db2.gz QIXJLLHWEUFEOH-GOSISDBHSA-N 1 0 478.439 2.681 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294744454 1062335765 /nfs/dbraw/zinc/33/57/65/1062335765.db2.gz USRRENYVENTGFK-HOTGVXAUSA-N 1 0 467.496 2.567 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294744709 1062336321 /nfs/dbraw/zinc/33/63/21/1062336321.db2.gz AWACUMBDCOZNMG-NRFANRHFSA-N 1 0 474.053 2.731 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C)C(=O)C1 ZINC001294745143 1062337257 /nfs/dbraw/zinc/33/72/57/1062337257.db2.gz JPUSHPDDMQDDKC-INIZCTEOSA-N 1 0 479.398 3.000 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(COc3ccc(Br)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001287114686 1062338030 /nfs/dbraw/zinc/33/80/30/1062338030.db2.gz NUQUXCIVFJJICR-QGZVFWFLSA-N 1 0 493.450 2.874 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001287114786 1062339083 /nfs/dbraw/zinc/33/90/83/1062339083.db2.gz PTSLDJMIJQUEMI-CEWLAPEOSA-N 1 0 460.667 2.984 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294749451 1062339943 /nfs/dbraw/zinc/33/99/43/1062339943.db2.gz KKINUKUVGSIQSE-OALUTQOASA-N 1 0 456.591 2.538 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001294751425 1062340678 /nfs/dbraw/zinc/34/06/78/1062340678.db2.gz VTXSANHVEUQNMO-QFBILLFUSA-N 1 0 464.973 2.563 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C[NH+](C)C ZINC001290542748 1062344338 /nfs/dbraw/zinc/34/43/38/1062344338.db2.gz WCNRODWCSKXKSV-UHFFFAOYSA-N 1 0 487.674 2.923 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001287116197 1062345770 /nfs/dbraw/zinc/34/57/70/1062345770.db2.gz KQGCXTHPEUWLEL-QGZVFWFLSA-N 1 0 460.573 2.934 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccc(O)c1 ZINC001294755788 1062346024 /nfs/dbraw/zinc/34/60/24/1062346024.db2.gz SMIGOYBLUKWWMD-IHPCNDPISA-N 1 0 461.632 2.958 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001294757101 1062346630 /nfs/dbraw/zinc/34/66/30/1062346630.db2.gz JENWXFHQYCQISV-ROUUACIJSA-N 1 0 472.556 2.823 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001294757423 1062347179 /nfs/dbraw/zinc/34/71/79/1062347179.db2.gz LHEUWENQLJKIDD-NBGIEHNGSA-N 1 0 454.619 2.648 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC001290547441 1062348269 /nfs/dbraw/zinc/34/82/69/1062348269.db2.gz MILKLINXUHRVLC-VGSWGCGISA-N 1 0 464.618 2.736 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001294758262 1062348679 /nfs/dbraw/zinc/34/86/79/1062348679.db2.gz UQKGHOPYJSPYRX-QFIPXVFZSA-N 1 0 454.619 2.833 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294759486 1062349199 /nfs/dbraw/zinc/34/91/99/1062349199.db2.gz DISAXJZHWGVIGG-BHIFYINESA-N 1 0 485.629 2.709 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294759780 1062350305 /nfs/dbraw/zinc/35/03/05/1062350305.db2.gz HCPJEDNGUZPTCC-YADARESESA-N 1 0 464.655 2.544 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC(C)(C)C[NH+]2CCCC2)C1 ZINC001287117474 1062351862 /nfs/dbraw/zinc/35/18/62/1062351862.db2.gz AFZTWKBWTMVQGZ-LJQANCHMSA-N 1 0 454.623 2.598 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001290549394 1062352006 /nfs/dbraw/zinc/35/20/06/1062352006.db2.gz JLHSPJIJBCJECN-SFHVURJKSA-N 1 0 470.666 2.898 20 0 JFADRO CCCn1nc(-c2nnc(N(C)CC)n2CCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2c1=O ZINC001294764492 1062353312 /nfs/dbraw/zinc/35/33/12/1062353312.db2.gz LCCOLTAUNGZDRD-UHFFFAOYSA-N 1 0 466.634 2.547 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)OCC)C1 ZINC001294764869 1062354274 /nfs/dbraw/zinc/35/42/74/1062354274.db2.gz OORFXVPMDDXQCX-WOZUAGRISA-N 1 0 478.638 2.591 20 0 JFADRO CCCn1nc(-c2nnc(N(C)Cc3cnn(CC)c3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001294764720 1062354465 /nfs/dbraw/zinc/35/44/65/1062354465.db2.gz DLFVIGJJEFHWOU-GOSISDBHSA-N 1 0 477.617 2.868 20 0 JFADRO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2cccc(OCC[NH+](C)C)c2)C1 ZINC001287118512 1062355564 /nfs/dbraw/zinc/35/55/64/1062355564.db2.gz HINOGSFJPCLMCN-OAQYLSRUSA-N 1 0 454.619 2.885 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001287119055 1062357393 /nfs/dbraw/zinc/35/73/93/1062357393.db2.gz GGJVWFFXBIWLIW-UHFFFAOYSA-N 1 0 482.633 2.541 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)C2CCCCC2)C1 ZINC001287120395 1062362562 /nfs/dbraw/zinc/36/25/62/1062362562.db2.gz QMIHHSDTQBENKA-FPOVZHCZSA-N 1 0 473.666 2.625 20 0 JFADRO CCCn1nc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC(=O)NC(C)C)c2ccccc2c1=O ZINC001294768367 1062362722 /nfs/dbraw/zinc/36/27/22/1062362722.db2.gz NPYZCRJTZAWZRN-MOPGFXCFSA-N 1 0 494.644 2.509 20 0 JFADRO Cc1nn(C)c(C)c1CN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCSCC2)CC1 ZINC001290563304 1062365746 /nfs/dbraw/zinc/36/57/46/1062365746.db2.gz MDKHWBJDBAFCTQ-UHFFFAOYSA-N 1 0 474.723 2.588 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)c1 ZINC001294780633 1062384179 /nfs/dbraw/zinc/38/41/79/1062384179.db2.gz NDSHDHDQCWKLNA-UHFFFAOYSA-N 1 0 495.672 2.508 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(C3CCCC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001287125141 1062385788 /nfs/dbraw/zinc/38/57/88/1062385788.db2.gz LNEFMDHZJCJKOH-HXUWFJFHSA-N 1 0 460.667 2.771 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001287126107 1062390732 /nfs/dbraw/zinc/39/07/32/1062390732.db2.gz SPERCFJPCIPCDI-IRLDBZIGSA-N 1 0 453.635 2.593 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290583440 1062391710 /nfs/dbraw/zinc/39/17/10/1062391710.db2.gz HREWZPWJHFNNEE-LEWJYISDSA-N 1 0 471.654 2.788 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)n1 ZINC001290586682 1062396912 /nfs/dbraw/zinc/39/69/12/1062396912.db2.gz OSDSAUWBCPMBTN-WOJBJXKFSA-N 1 0 479.695 2.662 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001294789619 1062397697 /nfs/dbraw/zinc/39/76/97/1062397697.db2.gz MNEQPVOLUKGOFD-IFMALSPDSA-N 1 0 485.677 2.863 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001294789621 1062397868 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ZINC001290618996 1062478144 /nfs/dbraw/zinc/47/81/44/1062478144.db2.gz YIDQVIZTFJKENK-FBBABVLZSA-N 1 0 486.665 2.973 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@H](CC(C)C)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC001290624605 1062490297 /nfs/dbraw/zinc/49/02/97/1062490297.db2.gz CVECDNFYLQFZOI-PKTZIBPZSA-N 1 0 484.693 2.955 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001290625159 1062493202 /nfs/dbraw/zinc/49/32/02/1062493202.db2.gz IFHANPIKAMYVFW-BVZFJXPGSA-N 1 0 470.666 2.742 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2C[C@H]2CCCS(=O)(=O)C2)n1 ZINC001290625874 1062497453 /nfs/dbraw/zinc/49/74/53/1062497453.db2.gz QPTSNVDZUSDOGT-JOCHJYFZSA-N 1 0 491.706 2.521 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001294818990 1062497500 /nfs/dbraw/zinc/49/75/00/1062497500.db2.gz BMRQKVHOGNDPDI-GOSISDBHSA-N 1 0 458.607 2.557 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@H+]2CCC[C@H]2C)n1 ZINC001290630028 1062503342 /nfs/dbraw/zinc/50/33/42/1062503342.db2.gz XPRPWHKVMBLCCW-UYAOXDASSA-N 1 0 472.638 2.727 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001294822500 1062506631 /nfs/dbraw/zinc/50/66/31/1062506631.db2.gz KIPLVJFJRYWPQV-UHFFFAOYSA-N 1 0 456.639 2.686 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(=O)NC4CC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001290632768 1062510342 /nfs/dbraw/zinc/51/03/42/1062510342.db2.gz KVSVESLJECUQHX-IRLDBZIGSA-N 1 0 470.666 2.611 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287146280 1062511776 /nfs/dbraw/zinc/51/17/76/1062511776.db2.gz PWOIOYVNNIDZNL-HRAATJIYSA-N 1 0 481.439 2.601 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCSCC2)CC1 ZINC001294827688 1062513447 /nfs/dbraw/zinc/51/34/47/1062513447.db2.gz DGMULJZVIMYPSM-UHFFFAOYSA-N 1 0 474.650 2.799 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001287148336 1062516226 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/nfs/dbraw/zinc/52/52/00/1062525200.db2.gz VUHBHZQTPCFKKR-UHFFFAOYSA-N 1 0 458.582 2.835 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001287152201 1062525346 /nfs/dbraw/zinc/52/53/46/1062525346.db2.gz CZSUZLARCWFVBP-VWLOTQADSA-N 1 0 485.608 2.849 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN([C@@H](C)C(F)(F)F)CC3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001290640950 1062528053 /nfs/dbraw/zinc/52/80/53/1062528053.db2.gz MRMXINDJGPDCSH-MSOLQXFVSA-N 1 0 468.572 2.695 20 0 JFADRO CCCNC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294838465 1062529541 /nfs/dbraw/zinc/52/95/41/1062529541.db2.gz NKRVJAAKFRETJK-LJQANCHMSA-N 1 0 455.607 2.594 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287153243 1062530924 /nfs/dbraw/zinc/53/09/24/1062530924.db2.gz MCAWMZSMPDWDRS-DVECYGJZSA-N 1 0 461.582 2.562 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001287153302 1062531316 /nfs/dbraw/zinc/53/13/16/1062531316.db2.gz NYZDMUHFVKHZQV-IBGZPJMESA-N 1 0 460.667 2.768 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@@H](C)C[NH+]2CCCCC2)n1 ZINC001290645675 1062535982 /nfs/dbraw/zinc/53/59/82/1062535982.db2.gz KVWSOPGFACYBIB-NZQKXSOJSA-N 1 0 484.693 2.955 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001287154467 1062536192 /nfs/dbraw/zinc/53/61/92/1062536192.db2.gz DCHTXYMNGZGUKV-HXUWFJFHSA-N 1 0 455.651 2.981 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCC[NH+]2CCC(C)CC2)n1 ZINC001290645912 1062536378 /nfs/dbraw/zinc/53/63/78/1062536378.db2.gz LMYAFMKLQMJBGO-UHFFFAOYSA-N 1 0 470.666 2.566 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(c4nccnc4C)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290646241 1062537045 /nfs/dbraw/zinc/53/70/45/1062537045.db2.gz OVFDDHCVBRYFDX-UHFFFAOYSA-N 1 0 480.665 2.684 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287155535 1062539632 /nfs/dbraw/zinc/53/96/32/1062539632.db2.gz HSIPVRHXVRXTTL-OAQYLSRUSA-N 1 0 485.633 2.754 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)C1)[NH+]1CCCC1 ZINC001287155606 1062539713 /nfs/dbraw/zinc/53/97/13/1062539713.db2.gz DCMPANWKGCZXPU-IBGZPJMESA-N 1 0 462.545 2.945 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001294846685 1062542970 /nfs/dbraw/zinc/54/29/70/1062542970.db2.gz UOGFLTMBMGVLLG-KRWDZBQOSA-N 1 0 479.000 2.812 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290648308 1062544331 /nfs/dbraw/zinc/54/43/31/1062544331.db2.gz JIOPLXJFSLKMJG-BDTNDASRSA-N 1 0 473.666 2.889 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCCOCC(F)(F)F)CC3)n2C[C@@H]2CCCOC2)n1 ZINC001290648322 1062544399 /nfs/dbraw/zinc/54/43/99/1062544399.db2.gz RZSIMUNFQVWNAD-FQEVSTJZSA-N 1 0 499.582 2.657 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CCOC(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290648383 1062544950 /nfs/dbraw/zinc/54/49/50/1062544950.db2.gz UCAGVUOPPYFSNH-XMMPIXPASA-N 1 0 486.709 2.807 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156908 1062545297 /nfs/dbraw/zinc/54/52/97/1062545297.db2.gz RLXYXGLIIIBQFO-IFMALSPDSA-N 1 0 489.690 2.568 20 0 JFADRO CCCNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001294847680 1062546947 /nfs/dbraw/zinc/54/69/47/1062546947.db2.gz WNAKTHZCTWQYPI-MSOLQXFVSA-N 1 0 456.591 2.552 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1)[NH+]1CCOCC1 ZINC001287157427 1062547340 /nfs/dbraw/zinc/54/73/40/1062547340.db2.gz NPYBBVVGYMQZHY-HKUYNNGSSA-N 1 0 481.439 2.628 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@H](COC(C)C)C3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001290649519 1062547334 /nfs/dbraw/zinc/54/73/34/1062547334.db2.gz RIRLYFWAUMVIHL-QFIPXVFZSA-N 1 0 459.639 2.644 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CC2([NH+](C)C)CCOCC2)n1 ZINC001290649825 1062548285 /nfs/dbraw/zinc/54/82/85/1062548285.db2.gz UMEZDWRNRMZZSM-HXUWFJFHSA-N 1 0 459.639 2.502 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)(C)C)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC001290650130 1062549227 /nfs/dbraw/zinc/54/92/27/1062549227.db2.gz XMSRIVPJCZAKQN-FGZHOGPDSA-N 1 0 473.666 2.628 20 0 JFADRO CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)N1CCOCC1 ZINC001287157989 1062549073 /nfs/dbraw/zinc/54/90/73/1062549073.db2.gz BHXGEHBEYPNDRR-QHCPKHFHSA-N 1 0 476.710 2.772 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)N1CCOCC1 ZINC001287159173 1062554896 /nfs/dbraw/zinc/55/48/96/1062554896.db2.gz BKAJPGMPMDVBSJ-JOCHJYFZSA-N 1 0 455.651 2.541 20 0 JFADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cnn(C)c4)n3CCC[N@@H+](C)C(C)C)C2)n1 ZINC001290656034 1062556910 /nfs/dbraw/zinc/55/69/10/1062556910.db2.gz DSTLRBTUPKHCHT-HXUWFJFHSA-N 1 0 454.627 2.534 20 0 JFADRO CC(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1)[NH+]1CCCC1 ZINC001287160038 1062557654 /nfs/dbraw/zinc/55/76/54/1062557654.db2.gz CDLNGADXHMRQMV-FCHUYYIVSA-N 1 0 453.635 2.922 20 0 JFADRO Cc1nc(C)n(C[C@H]2CCCN(c3nnc(-c4cnccn4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001290656892 1062558224 /nfs/dbraw/zinc/55/82/24/1062558224.db2.gz PEZQEBJHFRRYMI-LEWJYISDSA-N 1 0 466.638 2.836 20 0 JFADRO Cc1nc(C)n(C[C@@H]2CCCN(c3nnc(-c4cnccn4)n3C[C@H](CC(C)C)[NH+](C)C)C2)n1 ZINC001290656894 1062558834 /nfs/dbraw/zinc/55/88/34/1062558834.db2.gz PEZQEBJHFRRYMI-RTWAWAEBSA-N 1 0 466.638 2.836 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C)NC(=O)OC(C)(C)C ZINC001287160419 1062559859 /nfs/dbraw/zinc/55/98/59/1062559859.db2.gz DNBCFAJAOGOEJC-GGPKGHCWSA-N 1 0 470.622 2.957 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001287160421 1062560042 /nfs/dbraw/zinc/56/00/42/1062560042.db2.gz DNBCFAJAOGOEJC-NSHGMRRFSA-N 1 0 470.622 2.957 20 0 JFADRO CC(C)[C@@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001287162281 1062565291 /nfs/dbraw/zinc/56/52/91/1062565291.db2.gz HEGYDVYLZDXDFM-UYAOXDASSA-N 1 0 458.582 2.784 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001287163083 1062567085 /nfs/dbraw/zinc/56/70/85/1062567085.db2.gz UIKGVOJWFVRUSL-ZVDOUQERSA-N 1 0 462.664 2.642 20 0 JFADRO CC(C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287163149 1062567455 /nfs/dbraw/zinc/56/74/55/1062567455.db2.gz NPCSLXNAFBKCTL-RXVVDRJESA-N 1 0 458.582 2.818 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)N1CCOCC1 ZINC001287163489 1062569960 /nfs/dbraw/zinc/56/99/60/1062569960.db2.gz WGKAHDLHDTXKND-HSZRJFAPSA-N 1 0 469.678 2.931 20 0 JFADRO CC(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCCC1 ZINC001287163607 1062570612 /nfs/dbraw/zinc/57/06/12/1062570612.db2.gz RVFRCDBWFPXHEE-VAMGGRTRSA-N 1 0 489.665 2.795 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287163636 1062571117 /nfs/dbraw/zinc/57/11/17/1062571117.db2.gz XCPQCDLBZCKPFJ-VXKWHMMOSA-N 1 0 474.675 2.788 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001287166460 1062577451 /nfs/dbraw/zinc/57/74/51/1062577451.db2.gz IHLDACKUAFRBKD-HSALFYBXSA-N 1 0 490.674 2.764 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001287166485 1062577849 /nfs/dbraw/zinc/57/78/49/1062577849.db2.gz IVGWLGRFKWNLPV-UXHICEINSA-N 1 0 490.674 2.765 20 0 JFADRO CC(C)c1ccccc1OCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001287166461 1062578177 /nfs/dbraw/zinc/57/81/77/1062578177.db2.gz IHLDACKUAFRBKD-SLFFLAALSA-N 1 0 490.674 2.764 20 0 JFADRO CC(C)c1nc([C@H]2CN(c3nnc(C(C)C)n3CC3(O)CC[NH+](C(C)C)CC3)CCO2)no1 ZINC001287171087 1062588138 /nfs/dbraw/zinc/58/81/38/1062588138.db2.gz WOTHOVOJUXLWAK-GOSISDBHSA-N 1 0 461.611 2.721 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294886644 1062603307 /nfs/dbraw/zinc/60/33/07/1062603307.db2.gz FBUBGZGSMYNXPF-UHFFFAOYSA-N 1 0 464.973 2.565 20 0 JFADRO CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCCN1CCCCCC1=O ZINC001287179744 1062604582 /nfs/dbraw/zinc/60/45/82/1062604582.db2.gz RVDUSAGERRJLAS-UHFFFAOYSA-N 1 0 470.666 2.992 20 0 JFADRO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001287180123 1062605572 /nfs/dbraw/zinc/60/55/72/1062605572.db2.gz WQPSCVNYMBGZDP-UHFFFAOYSA-N 1 0 454.685 2.916 20 0 JFADRO CC(C)c1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287179812 1062605589 /nfs/dbraw/zinc/60/55/89/1062605589.db2.gz TZRVPWFXQGNUQG-IRLDBZIGSA-N 1 0 489.686 2.831 20 0 JFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001287184521 1062610237 /nfs/dbraw/zinc/61/02/37/1062610237.db2.gz RIHQXJOYQGIWKS-PSWAGMNNSA-N 1 0 483.705 2.765 20 0 JFADRO Cc1nnc(CCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CC[NH+](C(C)C)CC2)s1 ZINC001290691249 1062611265 /nfs/dbraw/zinc/61/12/65/1062611265.db2.gz CZMFXFHFCCOODK-HDICACEKSA-N 1 0 490.678 2.982 20 0 JFADRO Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC001290693243 1062618208 /nfs/dbraw/zinc/61/82/08/1062618208.db2.gz YAVHJTOWADEFAP-FUHWJXTLSA-N 1 0 460.652 2.715 20 0 JFADRO CC(C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001287193390 1062623742 /nfs/dbraw/zinc/62/37/42/1062623742.db2.gz PFUSBKSBUMKEMV-RBBKRZOGSA-N 1 0 474.675 2.784 20 0 JFADRO Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001290714093 1062646507 /nfs/dbraw/zinc/64/65/07/1062646507.db2.gz UJORZGVYBWTVAW-NHCUHLMSSA-N 1 0 462.664 2.515 20 0 JFADRO Cc1nnc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001290732751 1062655529 /nfs/dbraw/zinc/65/55/29/1062655529.db2.gz AGKKMVMCILVSFN-UHFFFAOYSA-N 1 0 461.632 2.770 20 0 JFADRO CC(C)c1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CC(C)(C)C[NH+](C)C ZINC001287209099 1062657469 /nfs/dbraw/zinc/65/74/69/1062657469.db2.gz JBKHOAMQJAGHPS-LJQANCHMSA-N 1 0 454.685 2.820 20 0 JFADRO CCCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001294911764 1062667106 /nfs/dbraw/zinc/66/71/06/1062667106.db2.gz GLCFAQRNXVKKLX-UHFFFAOYSA-N 1 0 497.688 2.687 20 0 JFADRO CCCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294912839 1062669285 /nfs/dbraw/zinc/66/92/85/1062669285.db2.gz NDCZMNMMKGPHJA-UHFFFAOYSA-N 1 0 497.688 2.687 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC001290760531 1062674158 /nfs/dbraw/zinc/67/41/58/1062674158.db2.gz WEKYNYHQRBPWFY-UHFFFAOYSA-N 1 0 468.646 2.675 20 0 JFADRO Cc1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001290762602 1062677594 /nfs/dbraw/zinc/67/75/94/1062677594.db2.gz KGHHTIJRJNWITI-FQEVSTJZSA-N 1 0 454.619 2.572 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001287215441 1062685124 /nfs/dbraw/zinc/68/51/24/1062685124.db2.gz DJFOQSJTBDUJQW-UHFFFAOYSA-N 1 0 461.655 2.677 20 0 JFADRO CN1CC[NH+](CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)CC1 ZINC001290770357 1062687430 /nfs/dbraw/zinc/68/74/30/1062687430.db2.gz ANDLDHWDIIZVCX-QFIPXVFZSA-N 1 0 457.619 2.748 20 0 JFADRO Cc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001290771546 1062689597 /nfs/dbraw/zinc/68/95/97/1062689597.db2.gz HJKYZVCJXCAKEP-UPCLLVRISA-N 1 0 453.591 2.530 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CCn2cncn2)cc1OC ZINC001294922609 1062689925 /nfs/dbraw/zinc/68/99/25/1062689925.db2.gz CVFASOBUKZZCTO-OALUTQOASA-N 1 0 468.606 2.953 20 0 JFADRO CCCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001294923416 1062691333 /nfs/dbraw/zinc/69/13/33/1062691333.db2.gz IWEUHOUHCSONAY-OAQYLSRUSA-N 1 0 486.661 2.994 20 0 JFADRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001290788945 1062694086 /nfs/dbraw/zinc/69/40/86/1062694086.db2.gz OHMBUZJKVDUUKN-UHFFFAOYSA-N 1 0 456.591 2.849 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC001294924648 1062694410 /nfs/dbraw/zinc/69/44/10/1062694410.db2.gz KBXPDIBVYUGQFQ-ZWKOTPCHSA-N 1 0 470.618 2.892 20 0 JFADRO Cc1nnc(N2CCC(CNC(=O)C(F)(F)F)CC2)n1C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC001290793428 1062699937 /nfs/dbraw/zinc/69/99/37/1062699937.db2.gz UXLBLOKQWIHSSU-INIZCTEOSA-N 1 0 464.536 2.928 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001287218779 1062700683 /nfs/dbraw/zinc/70/06/83/1062700683.db2.gz AYABRYFQRWIDDG-LJQANCHMSA-N 1 0 459.664 2.510 20 0 JFADRO CC(C)c1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287219491 1062702234 /nfs/dbraw/zinc/70/22/34/1062702234.db2.gz QBSJDQZEKPORNE-JOCHJYFZSA-N 1 0 470.662 2.838 20 0 JFADRO CC(C)c1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287219493 1062702362 /nfs/dbraw/zinc/70/23/62/1062702362.db2.gz QBSJDQZEKPORNE-QFIPXVFZSA-N 1 0 470.662 2.838 20 0 JFADRO Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ccc(I)cc1 ZINC001290798059 1062702905 /nfs/dbraw/zinc/70/29/05/1062702905.db2.gz QMLTXAOJESSOAU-FQEVSTJZSA-N 1 0 494.425 2.844 20 0 JFADRO Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001290799742 1062704002 /nfs/dbraw/zinc/70/40/02/1062704002.db2.gz DIWHCAWGTABDFJ-UHFFFAOYSA-N 1 0 452.525 2.692 20 0 JFADRO Cc1nnc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290801567 1062706030 /nfs/dbraw/zinc/70/60/30/1062706030.db2.gz NXSWUZGLGLLXSU-HDICACEKSA-N 1 0 458.582 2.624 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC001287220650 1062706076 /nfs/dbraw/zinc/70/60/76/1062706076.db2.gz YMMBOWQDWINNSE-ICSRJNTNSA-N 1 0 472.609 2.574 20 0 JFADRO Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)c1 ZINC001290806800 1062709362 /nfs/dbraw/zinc/70/93/62/1062709362.db2.gz YEIDRICYCDZZGU-AREMUKBSSA-N 1 0 450.627 2.914 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC1([S@@](C)=O)CCC1 ZINC001287224601 1062712387 /nfs/dbraw/zinc/71/23/87/1062712387.db2.gz UPZIKZUNSIKSDX-MGBGTMOVSA-N 1 0 472.703 2.957 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC(NC(C)=O)CC3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294935080 1062712891 /nfs/dbraw/zinc/71/28/91/1062712891.db2.gz WSVIVFAPJSXCHP-KRWDZBQOSA-N 1 0 458.607 2.798 20 0 JFADRO CC[C@H](CNC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC001290815865 1062713014 /nfs/dbraw/zinc/71/30/14/1062713014.db2.gz ZWEXUMCNVJUJQN-RTWAWAEBSA-N 1 0 458.628 2.933 20 0 JFADRO CCOC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001290820087 1062714311 /nfs/dbraw/zinc/71/43/11/1062714311.db2.gz KTSIDSFYKWMYKN-DNQXCXABSA-N 1 0 452.599 2.839 20 0 JFADRO CN1CC[N@H+](CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC001290819209 1062715132 /nfs/dbraw/zinc/71/51/32/1062715132.db2.gz CWUZEUNSESDFMM-AUSIDOKSSA-N 1 0 456.537 2.813 20 0 JFADRO CN1CC[N@H+](CCCNC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)[C@@H](c2ccccc2)C1 ZINC001290821176 1062716348 /nfs/dbraw/zinc/71/63/48/1062716348.db2.gz UGHCLZUESGFDCZ-XMMPIXPASA-N 1 0 455.624 2.979 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1OC ZINC001294938826 1062717514 /nfs/dbraw/zinc/71/75/14/1062717514.db2.gz IUZRAPBWACBIHF-UHFFFAOYSA-N 1 0 493.612 2.815 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC(=O)NC(C)C)cc1OC ZINC001294939282 1062718845 /nfs/dbraw/zinc/71/88/45/1062718845.db2.gz NYMYHHBIROSUOK-UHFFFAOYSA-N 1 0 458.607 2.798 20 0 JFADRO CC(C)c1nnc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001287231594 1062721024 /nfs/dbraw/zinc/72/10/24/1062721024.db2.gz NEBBOMAKEUQIQK-BGYRXZFFSA-N 1 0 462.639 2.817 20 0 JFADRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001290831373 1062723724 /nfs/dbraw/zinc/72/37/24/1062723724.db2.gz XSGHORUNNVGEBY-FQEVSTJZSA-N 1 0 451.976 2.604 20 0 JFADRO Cc1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001290832003 1062724198 /nfs/dbraw/zinc/72/41/98/1062724198.db2.gz JWAZXLXGMTVKSY-PKTZIBPZSA-N 1 0 468.646 2.723 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001294940994 1062727350 /nfs/dbraw/zinc/72/73/50/1062727350.db2.gz VXSKXKLXWYYBQR-PKOBYXMFSA-N 1 0 456.591 2.504 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[N@H+](CC)[C@@H](C)C3)n2Cc2ccc(C(N)=O)nc2)cc1OC ZINC001294941234 1062728132 /nfs/dbraw/zinc/72/81/32/1062728132.db2.gz YBKAONGQLWWLFZ-SFHVURJKSA-N 1 0 493.612 2.815 20 0 JFADRO Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CCC[NH+](C(C)C)C(C)C ZINC001290846442 1062732223 /nfs/dbraw/zinc/73/22/23/1062732223.db2.gz BCNMEAPKBLBICT-UHFFFAOYSA-N 1 0 462.664 2.996 20 0 JFADRO CCCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001294948644 1062734449 /nfs/dbraw/zinc/73/44/49/1062734449.db2.gz DNKQTKLOENRIEV-SFHVURJKSA-N 1 0 478.663 2.646 20 0 JFADRO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)CCO1 ZINC001287263979 1062738583 /nfs/dbraw/zinc/73/85/83/1062738583.db2.gz HWFHYHIZMSQKHP-MSOLQXFVSA-N 1 0 453.530 2.709 20 0 JFADRO CC[NH+]1CCN(Cc2ccc(NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)cc2)CC1 ZINC001290854819 1062738609 /nfs/dbraw/zinc/73/86/09/1062738609.db2.gz YFWUZYNNDMQERA-RUZDIDTESA-N 1 0 455.603 2.653 20 0 JFADRO CC(C)[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC001287265834 1062742702 /nfs/dbraw/zinc/74/27/02/1062742702.db2.gz WLVLSRLSHRMIDE-YADHBBJMSA-N 1 0 489.686 2.846 20 0 JFADRO CC(C)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287265911 1062743238 /nfs/dbraw/zinc/74/32/38/1062743238.db2.gz YLOUFDDSELXUCN-IRLDBZIGSA-N 1 0 496.722 2.748 20 0 JFADRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC001290860079 1062744268 /nfs/dbraw/zinc/74/42/68/1062744268.db2.gz RCKMZLHCEZINQD-UHFFFAOYSA-N 1 0 450.004 2.811 20 0 JFADRO Cc1nnc(N2CCN(c3nccc(C(C)C)n3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290863091 1062746993 /nfs/dbraw/zinc/74/69/93/1062746993.db2.gz LCYUTWSZGIUQGE-KDURUIRLSA-N 1 0 456.639 2.714 20 0 JFADRO Cc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290863197 1062747077 /nfs/dbraw/zinc/74/70/77/1062747077.db2.gz NBHWLSUEKPCLES-OAHLLOKOSA-N 1 0 454.406 2.583 20 0 JFADRO Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001290866953 1062748638 /nfs/dbraw/zinc/74/86/38/1062748638.db2.gz GHHPEYBRVUETBC-KRWDZBQOSA-N 1 0 458.573 2.940 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)[C@H](Cc2ccc3cc[nH]c3c2)NC(=O)OC(C)(C)C)CC1 ZINC001290867847 1062750672 /nfs/dbraw/zinc/75/06/72/1062750672.db2.gz DOENWFJECMDKQO-QFIPXVFZSA-N 1 0 457.619 2.748 20 0 JFADRO CC[NH+]1CCN(CCCNC(=O)[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001290870447 1062756327 /nfs/dbraw/zinc/75/63/27/1062756327.db2.gz SZGRPGYYRVUUQX-AVRDEDQJSA-N 1 0 453.002 2.921 20 0 JFADRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001294974124 1062758525 /nfs/dbraw/zinc/75/85/25/1062758525.db2.gz PROLINXOAGUUFF-SFHVURJKSA-N 1 0 459.612 2.883 20 0 JFADRO Cc1nnc(N2CCO[C@H](c3nnc(C(C)C)o3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290888363 1062767055 /nfs/dbraw/zinc/76/70/55/1062767055.db2.gz UBKDIDZVNGYPNA-FQEVSTJZSA-N 1 0 455.563 2.660 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(C)(C)O)CCO1 ZINC001287295647 1062767412 /nfs/dbraw/zinc/76/74/12/1062767412.db2.gz HSUHHWQCLIPAIL-QHCPKHFHSA-N 1 0 470.662 2.665 20 0 JFADRO Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001290888603 1062767466 /nfs/dbraw/zinc/76/74/66/1062767466.db2.gz WXSWAJQLXXNFFY-GHTZIAJQSA-N 1 0 458.607 2.837 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC001287296170 1062769127 /nfs/dbraw/zinc/76/91/27/1062769127.db2.gz RBCAGNLINVZSQH-LEWJYISDSA-N 1 0 458.582 2.704 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC001287296173 1062769173 /nfs/dbraw/zinc/76/91/73/1062769173.db2.gz RBCAGNLINVZSQH-SFTDATJTSA-N 1 0 458.582 2.704 20 0 JFADRO CCCOc1ncccc1Cn1c([C@H]2CCCOC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001294985768 1062772058 /nfs/dbraw/zinc/77/20/58/1062772058.db2.gz WKAZOBJTKBCZNY-CTNGQTDRSA-N 1 0 458.607 2.561 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001294997230 1062783788 /nfs/dbraw/zinc/78/37/88/1062783788.db2.gz GIISHKUZNXNKSD-BURNTYAHSA-N 1 0 462.639 2.514 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(c2ccccc2)CC1)[NH+](C)C ZINC001287318432 1062789152 /nfs/dbraw/zinc/78/91/52/1062789152.db2.gz APSVFWZNUPTIMZ-NRFANRHFSA-N 1 0 456.635 2.881 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)[NH+](C)C ZINC001287318494 1062789824 /nfs/dbraw/zinc/78/98/24/1062789824.db2.gz BWAJQOXFLNLYEV-FCHUYYIVSA-N 1 0 455.651 2.726 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295002689 1062790080 /nfs/dbraw/zinc/79/00/80/1062790080.db2.gz QYQKGBLTTHQXBP-NHCUHLMSSA-N 1 0 467.680 2.842 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1)[NH+](C)C ZINC001287319020 1062790777 /nfs/dbraw/zinc/79/07/77/1062790777.db2.gz GVESQAUZUTXERQ-QFIPXVFZSA-N 1 0 487.693 2.719 20 0 JFADRO CCn1c(SCC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)nnc1-c1ccco1 ZINC001290916371 1062791254 /nfs/dbraw/zinc/79/12/54/1062791254.db2.gz OAVRRFFAWIMDKW-UHFFFAOYSA-N 1 0 454.600 2.714 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1)[NH+](C)C ZINC001287319659 1062792957 /nfs/dbraw/zinc/79/29/57/1062792957.db2.gz MPPABVARZRLUGF-SQJMNOBHSA-N 1 0 472.609 2.727 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1)[NH+](C)C ZINC001287319657 1062792969 /nfs/dbraw/zinc/79/29/69/1062792969.db2.gz MPPABVARZRLUGF-OFVILXPXSA-N 1 0 472.609 2.727 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[NH+](C)C ZINC001287320852 1062795738 /nfs/dbraw/zinc/79/57/38/1062795738.db2.gz XZKXDDJVHPGDQJ-OALUTQOASA-N 1 0 479.670 2.838 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001287320941 1062796352 /nfs/dbraw/zinc/79/63/52/1062796352.db2.gz YSJHKLLINUULQZ-XUVXKRRUSA-N 1 0 491.681 2.840 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSC[C@@H]1C)[NH+](C)C ZINC001287321466 1062798533 /nfs/dbraw/zinc/79/85/33/1062798533.db2.gz HRCFRUBJKKMBKP-FXAWDEMLSA-N 1 0 455.636 2.839 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287322620 1062800911 /nfs/dbraw/zinc/80/09/11/1062800911.db2.gz QRYHPYHRJMKOIT-SVFBPWRDSA-N 1 0 492.690 2.785 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1)[NH+](C)C ZINC001287324142 1062801233 /nfs/dbraw/zinc/80/12/33/1062801233.db2.gz YZNSYCIZLSSFDZ-NLWGTHIKSA-N 1 0 478.663 2.652 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295014125 1062802183 /nfs/dbraw/zinc/80/21/83/1062802183.db2.gz IVDWDOVMZNFYDF-RBUKOAKNSA-N 1 0 454.685 2.822 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328399 1062802667 /nfs/dbraw/zinc/80/26/67/1062802667.db2.gz GYDKAELDEWZDDH-IQGLISFBSA-N 1 0 485.608 2.875 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[NH+](C)C ZINC001287328629 1062803202 /nfs/dbraw/zinc/80/32/02/1062803202.db2.gz JMBQWDIBEOKYLD-CPJSRVTESA-N 1 0 467.618 2.736 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001295014399 1062803266 /nfs/dbraw/zinc/80/32/66/1062803266.db2.gz CDTZGIILSXWMER-GOSISDBHSA-N 1 0 466.677 2.818 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+](C)C ZINC001287330936 1062807658 /nfs/dbraw/zinc/80/76/58/1062807658.db2.gz NGEVEYRNGIACAQ-FGTMMUONSA-N 1 0 474.572 2.653 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287331413 1062808788 /nfs/dbraw/zinc/80/87/88/1062808788.db2.gz GKZAFWIIYKGMAQ-FQEVSTJZSA-N 1 0 483.082 2.580 20 0 JFADRO CC(C)C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+](C)C ZINC001287331624 1062809259 /nfs/dbraw/zinc/80/92/59/1062809259.db2.gz GTRYAZWZGZPVLF-FQEVSTJZSA-N 1 0 470.666 2.664 20 0 JFADRO CC(C)C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001287332938 1062810350 /nfs/dbraw/zinc/81/03/50/1062810350.db2.gz LGCJZXAYIZTEDK-WOJBJXKFSA-N 1 0 470.728 2.951 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287334132 1062811374 /nfs/dbraw/zinc/81/13/74/1062811374.db2.gz PSIRTAINFKLIQT-NRFANRHFSA-N 1 0 497.109 2.970 20 0 JFADRO CC(C)C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)C1CCCCC1)[NH+](C)C ZINC001287335986 1062814719 /nfs/dbraw/zinc/81/47/19/1062814719.db2.gz YSSKFUMBBQBTOT-BVSLBCMMSA-N 1 0 498.738 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C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001291013915 1062921947 /nfs/dbraw/zinc/92/19/47/1062921947.db2.gz UUEQNGPPSZKNEJ-CALCHBBNSA-N 1 0 467.039 2.596 20 0 JFADRO CC(C)Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001287474980 1062924290 /nfs/dbraw/zinc/92/42/90/1062924290.db2.gz KVDUZUOBEZYGDQ-UHFFFAOYSA-N 1 0 494.619 2.568 20 0 JFADRO CN1CC[C@@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]1c1ccc(F)cc1 ZINC001295094941 1062927735 /nfs/dbraw/zinc/92/77/35/1062927735.db2.gz PRRMTXBJZUHOOC-OXQOHEQNSA-N 1 0 453.486 2.720 20 0 JFADRO CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001287485718 1062940986 /nfs/dbraw/zinc/94/09/86/1062940986.db2.gz ATZAHZYJAXBPKT-GMAHTHKFSA-N 1 0 488.702 2.859 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CC[C@@H]32)c1 ZINC001295126641 1062942611 /nfs/dbraw/zinc/94/26/11/1062942611.db2.gz HBWBBFOKKKJCLV-WMQCIHAUSA-N 1 0 460.648 2.767 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3cccn3C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)c1 ZINC001295126949 1062944346 /nfs/dbraw/zinc/94/43/46/1062944346.db2.gz KDLCXOCNEVYXMZ-JOCHJYFZSA-N 1 0 499.685 2.549 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC(C)(OC)C2)c1 ZINC001295127083 1062944518 /nfs/dbraw/zinc/94/45/18/1062944518.db2.gz LDWLQJJIQOSZKC-UHFFFAOYSA-N 1 0 468.627 2.995 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(C)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC001295127273 1062945900 /nfs/dbraw/zinc/94/59/00/1062945900.db2.gz NWJPHKMCKDTMKH-NRFANRHFSA-N 1 0 458.607 2.816 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nnc2C(C)(C)C)c1 ZINC001295127514 1062946654 /nfs/dbraw/zinc/94/66/54/1062946654.db2.gz RKBYCRHHUYOOKP-QFIPXVFZSA-N 1 0 468.646 2.903 20 0 JFADRO CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC001295137577 1062957113 /nfs/dbraw/zinc/95/71/13/1062957113.db2.gz QIBUGXGNLQOJAD-HSZRJFAPSA-N 1 0 461.010 2.697 20 0 JFADRO 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20 0 JFADRO CC(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001287554144 1062982773 /nfs/dbraw/zinc/98/27/73/1062982773.db2.gz XHBCJCKHVSPDGA-VXKWHMMOSA-N 1 0 459.683 2.945 20 0 JFADRO CC(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001287566764 1062988291 /nfs/dbraw/zinc/98/82/91/1062988291.db2.gz NKHWMMSCMSPWCM-OAQYLSRUSA-N 1 0 480.723 2.611 20 0 JFADRO CCN(c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](C1CC1)[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295166091 1062990254 /nfs/dbraw/zinc/99/02/54/1062990254.db2.gz DGUSHSKLFREICM-HKUYNNGSSA-N 1 0 482.050 2.961 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001291060749 1062995796 /nfs/dbraw/zinc/99/57/96/1062995796.db2.gz NZTPVRHZWCBNEO-OEXSPLCWSA-N 1 0 496.722 2.746 20 0 JFADRO CC(C)NC(=O)Cn1c(N2CC[NH+](C3CCC(C)CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291061199 1062996313 /nfs/dbraw/zinc/99/63/13/1062996313.db2.gz CLJLDKROXOEGKY-UXIGSVSMSA-N 1 0 476.666 2.544 20 0 JFADRO CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC001291061946 1062998737 /nfs/dbraw/zinc/99/87/37/1062998737.db2.gz FFAQJPCANSUIHI-OOMBGRCJSA-N 1 0 494.750 3.000 20 0 JFADRO CC(C)c1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001291062109 1062999224 /nfs/dbraw/zinc/99/92/24/1062999224.db2.gz KWYXMFLBMLEQFX-NYLDSWQDSA-N 1 0 459.683 2.701 20 0 JFADRO CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CC[NH+](C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001295175678 1062999609 /nfs/dbraw/zinc/99/96/09/1062999609.db2.gz MBAYEPOQHWKIBC-IBGZPJMESA-N 1 0 477.631 2.806 20 0 JFADRO CCN(c1nnc(-c2ccccc2Br)n1CC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295178832 1063000886 /nfs/dbraw/zinc/00/08/86/1063000886.db2.gz CPJAPVYIXXJABW-MRXNPFEDSA-N 1 0 482.448 2.817 20 0 JFADRO CCN(c1nnc(-c2ccccc2F)n1C[C@]1([NH+](C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001295179737 1063001768 /nfs/dbraw/zinc/00/17/68/1063001768.db2.gz PANFHUUWNHKSOM-IIBYNOLFSA-N 1 0 467.636 2.535 20 0 JFADRO 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C[C@@H]1CCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001291136249 1063192010 /nfs/dbraw/zinc/19/20/10/1063192010.db2.gz SZEOATIPCZRQTG-SJORKVTESA-N 1 0 458.529 2.546 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001291137366 1063195530 /nfs/dbraw/zinc/19/55/30/1063195530.db2.gz PGPLIRWNHXVDBE-ROUUACIJSA-N 1 0 458.611 2.609 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC(=O)NC(C)(C)C ZINC001291137699 1063198005 /nfs/dbraw/zinc/19/80/05/1063198005.db2.gz WCHWFXOZFGVXEP-QGZVFWFLSA-N 1 0 456.591 2.552 20 0 JFADRO CCN(CC)C(=O)CCCn1c(-c2ccccn2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001295318671 1063198718 /nfs/dbraw/zinc/19/87/18/1063198718.db2.gz MCNFATXTCDBQKJ-UHFFFAOYSA-N 1 0 469.634 2.537 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291137958 1063198745 /nfs/dbraw/zinc/19/87/45/1063198745.db2.gz AHSNTBPQTQPBAK-RBBKRZOGSA-N 1 0 459.660 2.951 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001291137956 1063198904 /nfs/dbraw/zinc/19/89/04/1063198904.db2.gz AHSNTBPQTQPBAK-IFMALSPDSA-N 1 0 459.660 2.951 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(CCc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001291137957 1063199014 /nfs/dbraw/zinc/19/90/14/1063199014.db2.gz AHSNTBPQTQPBAK-IRLDBZIGSA-N 1 0 459.660 2.951 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(Cc2c(F)cccc2F)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001291138657 1063200785 /nfs/dbraw/zinc/20/07/85/1063200785.db2.gz NQXICROTMFYNSW-MRXNPFEDSA-N 1 0 467.586 2.645 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001291139075 1063202015 /nfs/dbraw/zinc/20/20/15/1063202015.db2.gz VJPQJBUYWRRZKC-ICSRJNTNSA-N 1 0 455.607 2.852 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001291139215 1063202153 /nfs/dbraw/zinc/20/21/53/1063202153.db2.gz XYLKQVDAAACNAS-OAHLLOKOSA-N 1 0 477.038 2.777 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291139101 1063202219 /nfs/dbraw/zinc/20/22/19/1063202219.db2.gz VWLQDJZKKWBYMR-QZTJIDSGSA-N 1 0 477.654 2.577 20 0 JFADRO C[C@@H](CCc1ccc(O)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001291139230 1063202976 /nfs/dbraw/zinc/20/29/76/1063202976.db2.gz YGENQECMAPHXOG-QKNQBKEWSA-N 1 0 475.659 2.828 20 0 JFADRO C[C@@H]1CCC[N@@H+]1CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C ZINC001291140409 1063208891 /nfs/dbraw/zinc/20/88/91/1063208891.db2.gz XOKNALPBJDECOP-OAQYLSRUSA-N 1 0 459.683 2.585 20 0 JFADRO C[C@H]1CCC[N@@H+]1CCn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001291140478 1063208929 /nfs/dbraw/zinc/20/89/29/1063208929.db2.gz ZFURNDJGBDIEOO-ZWKOTPCHSA-N 1 0 450.628 2.790 20 0 JFADRO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1)[NH+]1CCC(C)CC1 ZINC001291140521 1063209295 /nfs/dbraw/zinc/20/92/95/1063209295.db2.gz ACRBIKJAXPAQGP-OALUTQOASA-N 1 0 460.648 2.571 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3ccccc3C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140522 1063209375 /nfs/dbraw/zinc/20/93/75/1063209375.db2.gz ACRBIKJAXPAQGP-RBUKOAKNSA-N 1 0 460.648 2.571 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)[NH+]1CCC(C)CC1 ZINC001291140599 1063210401 /nfs/dbraw/zinc/21/04/01/1063210401.db2.gz AVDWFIXAIDFIJB-UXHICEINSA-N 1 0 489.665 2.738 20 0 JFADRO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291140622 1063210476 /nfs/dbraw/zinc/21/04/76/1063210476.db2.gz BCOFRZBSZONLCX-HSALFYBXSA-N 1 0 490.674 2.796 20 0 JFADRO C[C@H](CC(N)=O)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141460 1063215128 /nfs/dbraw/zinc/21/51/28/1063215128.db2.gz NYYOILHTSGCGJX-CABCVRRESA-N 1 0 466.428 2.856 20 0 JFADRO CC(C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141906 1063217163 /nfs/dbraw/zinc/21/71/63/1063217163.db2.gz VDRMMVUHOJPEAR-VXKWHMMOSA-N 1 0 459.683 2.655 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291141922 1063217387 /nfs/dbraw/zinc/21/73/87/1063217387.db2.gz VNGSDHZKPWTKGQ-FQEVSTJZSA-N 1 0 453.635 2.993 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291141923 1063217485 /nfs/dbraw/zinc/21/74/85/1063217485.db2.gz VNGSDHZKPWTKGQ-HXUWFJFHSA-N 1 0 453.635 2.993 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001295326886 1063217986 /nfs/dbraw/zinc/21/79/86/1063217986.db2.gz FLCOAEXOCBYRRD-UHFFFAOYSA-N 1 0 496.704 2.985 20 0 JFADRO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1)[NH+]1CCC(C)CC1 ZINC001291142147 1063218874 /nfs/dbraw/zinc/21/88/74/1063218874.db2.gz YWDRLEASWLTBPT-RTBURBONSA-N 1 0 485.599 2.707 20 0 JFADRO C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291142287 1063219603 /nfs/dbraw/zinc/21/96/03/1063219603.db2.gz BFIRXWXGUVFVBB-SOLBZPMBSA-N 1 0 455.529 2.955 20 0 JFADRO C[C@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCC(C)CC1 ZINC001291142968 1063220628 /nfs/dbraw/zinc/22/06/28/1063220628.db2.gz ONCNNSNQPMIGNH-MSOLQXFVSA-N 1 0 481.567 2.909 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291143082 1063221071 /nfs/dbraw/zinc/22/10/71/1063221071.db2.gz QJHMBCPIWPNVQV-LTIDMASMSA-N 1 0 458.529 2.506 20 0 JFADRO C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC001291143210 1063221636 /nfs/dbraw/zinc/22/16/36/1063221636.db2.gz RZFKCZZNGJNQAJ-KRWDZBQOSA-N 1 0 496.081 2.632 20 0 JFADRO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291143531 1063222161 /nfs/dbraw/zinc/22/21/61/1063222161.db2.gz XXFZMNRBIHEMAN-AQNXPRMDSA-N 1 0 489.665 2.795 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295327538 1063224376 /nfs/dbraw/zinc/22/43/76/1063224376.db2.gz WPKZABPUHAHZSA-JOCHJYFZSA-N 1 0 467.662 2.810 20 0 JFADRO C[C@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144947 1063227592 /nfs/dbraw/zinc/22/75/92/1063227592.db2.gz XTBBBTNKRBITAS-IRLDBZIGSA-N 1 0 475.659 2.643 20 0 JFADRO C[C@@H](Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCC(C)CC1 ZINC001291144949 1063228079 /nfs/dbraw/zinc/22/80/79/1063228079.db2.gz XTBBBTNKRBITAS-UNMCSNQZSA-N 1 0 475.659 2.643 20 0 JFADRO C[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001291146525 1063231081 /nfs/dbraw/zinc/23/10/81/1063231081.db2.gz GMDWEWUZZPUMMH-FXAWDEMLSA-N 1 0 461.010 2.555 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001291147534 1063233633 /nfs/dbraw/zinc/23/36/33/1063233633.db2.gz AASHNASUSVGHRZ-ZACQAIPSSA-N 1 0 452.650 2.633 20 0 JFADRO C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291162078 1063247082 /nfs/dbraw/zinc/24/70/82/1063247082.db2.gz KTWNHSLDKKIKGM-PKOBYXMFSA-N 1 0 462.545 2.612 20 0 JFADRO C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001291162077 1063247176 /nfs/dbraw/zinc/24/71/76/1063247176.db2.gz KTWNHSLDKKIKGM-MJGOQNOKSA-N 1 0 462.545 2.612 20 0 JFADRO C[C@@H]1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001291165185 1063249607 /nfs/dbraw/zinc/24/96/07/1063249607.db2.gz HEDFXIPZFZBOLM-RRQZXNHTSA-N 1 0 476.666 2.942 20 0 JFADRO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001291171750 1063260363 /nfs/dbraw/zinc/26/03/63/1063260363.db2.gz QFUCIVYNLJJVTM-SJBKTWHCSA-N 1 0 453.635 2.689 20 0 JFADRO C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001291171875 1063260667 /nfs/dbraw/zinc/26/06/67/1063260667.db2.gz SHLPXFAFQCODAY-OAQYLSRUSA-N 1 0 461.614 2.843 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295337790 1063263748 /nfs/dbraw/zinc/26/37/48/1063263748.db2.gz ICUKKJBMUYVFBL-JOCHJYFZSA-N 1 0 459.683 2.656 20 0 JFADRO C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001291177287 1063264832 /nfs/dbraw/zinc/26/48/32/1063264832.db2.gz PYWLTCAYUKUPFZ-UYAOXDASSA-N 1 0 458.582 2.785 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295338405 1063266071 /nfs/dbraw/zinc/26/60/71/1063266071.db2.gz ODSLUOKUVQEDLT-YADHBBJMSA-N 1 0 475.726 2.978 20 0 JFADRO CC1CC[NH+](C[C@@H]2CCCN(c3nnc(-c4ccccc4F)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001291179850 1063269385 /nfs/dbraw/zinc/26/93/85/1063269385.db2.gz OJNKDLPPDSPGBD-FQEVSTJZSA-N 1 0 492.665 2.924 20 0 JFADRO CC(C)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC(C)CC2)C1 ZINC001291179830 1063269510 /nfs/dbraw/zinc/26/95/10/1063269510.db2.gz NWABDPHKYNVEOZ-UXHICEINSA-N 1 0 454.685 2.883 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(Cc4ccccn4)n3CC(=O)NCC(F)F)C2)CC1 ZINC001291179824 1063269533 /nfs/dbraw/zinc/26/95/33/1063269533.db2.gz NSOKORBESUHGNR-LJQANCHMSA-N 1 0 475.588 2.594 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1Cc1cccc(CO)c1 ZINC001291179942 1063270334 /nfs/dbraw/zinc/27/03/34/1063270334.db2.gz QHMMUSFCBVYPQG-HSZRJFAPSA-N 1 0 468.646 2.905 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001291180563 1063273003 /nfs/dbraw/zinc/27/30/03/1063273003.db2.gz GJMYTTYQPPLABX-OAQYLSRUSA-N 1 0 491.706 2.561 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001291180562 1063273126 /nfs/dbraw/zinc/27/31/26/1063273126.db2.gz GJMYTTYQPPLABX-NRFANRHFSA-N 1 0 491.706 2.561 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001291181156 1063274168 /nfs/dbraw/zinc/27/41/68/1063274168.db2.gz ZFYMRHGZEMFSEN-UXHICEINSA-N 1 0 467.680 2.696 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181406 1063274662 /nfs/dbraw/zinc/27/46/62/1063274662.db2.gz HIDUSCCYOAFMGG-IAGOWNOFSA-N 1 0 460.545 2.694 20 0 JFADRO CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](C(F)(F)F)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181408 1063274711 /nfs/dbraw/zinc/27/47/11/1063274711.db2.gz HIDUSCCYOAFMGG-SJORKVTESA-N 1 0 460.545 2.694 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181724 1063275831 /nfs/dbraw/zinc/27/58/31/1063275831.db2.gz QJUUNPSDKCSLFD-UHFFFAOYSA-N 1 0 482.555 2.774 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295344305 1063276907 /nfs/dbraw/zinc/27/69/07/1063276907.db2.gz KKGWOTZSTHMPLH-UHFFFAOYSA-N 1 0 496.704 2.519 20 0 JFADRO CC1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC001291182867 1063278606 /nfs/dbraw/zinc/27/86/06/1063278606.db2.gz ZKGBTJNATDIDSH-LJQANCHMSA-N 1 0 471.654 2.521 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCCN(C(=O)c3cccc(F)c3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183168 1063279690 /nfs/dbraw/zinc/27/96/90/1063279690.db2.gz IHGGIDHKHKLYLB-UHFFFAOYSA-N 1 0 499.635 2.640 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(Oc3ncccc3F)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183556 1063280299 /nfs/dbraw/zinc/28/02/99/1063280299.db2.gz WYPKRDIKMPPCQT-UHFFFAOYSA-N 1 0 473.597 2.730 20 0 JFADRO CC1CC[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001291183306 1063280485 /nfs/dbraw/zinc/28/04/85/1063280485.db2.gz NTSRCBXHRICXHW-UHFFFAOYSA-N 1 0 461.010 2.959 20 0 JFADRO CC1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001291183624 1063281038 /nfs/dbraw/zinc/28/10/38/1063281038.db2.gz ZIASIUMIXBEIJO-FQEVSTJZSA-N 1 0 493.578 2.891 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001291184425 1063282841 /nfs/dbraw/zinc/28/28/41/1063282841.db2.gz ZNAUZITVBWYVHQ-IBGZPJMESA-N 1 0 461.632 2.553 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001291184591 1063283478 /nfs/dbraw/zinc/28/34/78/1063283478.db2.gz FFPJSDOAMONVMQ-PMACEKPBSA-N 1 0 478.638 2.544 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCOC[C@H]2C)CC1 ZINC001291184594 1063283560 /nfs/dbraw/zinc/28/35/60/1063283560.db2.gz FFPJSDOAMONVMQ-WOJBJXKFSA-N 1 0 478.638 2.544 20 0 JFADRO CC1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(=O)Nc2cccc(Cl)c2)CC1 ZINC001291184504 1063283579 /nfs/dbraw/zinc/28/35/79/1063283579.db2.gz BUQFMTICMLHEPL-LJQANCHMSA-N 1 0 474.009 2.689 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc2N2CCOCC2)CC1 ZINC001291184715 1063284184 /nfs/dbraw/zinc/28/41/84/1063284184.db2.gz IEZRUBLGJNXUMZ-HXUWFJFHSA-N 1 0 462.639 2.961 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001295345778 1063285086 /nfs/dbraw/zinc/28/50/86/1063285086.db2.gz LKKASUJKSMRRFK-NHCUHLMSSA-N 1 0 485.681 2.630 20 0 JFADRO CC(C)OC[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCC(C)CC2)CCO1 ZINC001291185818 1063287038 /nfs/dbraw/zinc/28/70/38/1063287038.db2.gz QNECABSKOAQEPL-RDGATRHJSA-N 1 0 479.666 2.681 20 0 JFADRO CC(C)O[C@@]1(c2nnc(N(C)CC3COC(C)(C)OC3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185961 1063288119 /nfs/dbraw/zinc/28/81/19/1063288119.db2.gz VLFRQUCAHCWGAM-VWLOTQADSA-N 1 0 479.666 2.886 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3cccn3C)nnc2N(C)Cc2ncnn2CC(F)F)C[C@H](C)O1 ZINC001291186695 1063292670 /nfs/dbraw/zinc/29/26/70/1063292670.db2.gz IZLRQTJIOWWVFU-IRXDYDNUSA-N 1 0 491.591 2.664 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291187364 1063294884 /nfs/dbraw/zinc/29/48/84/1063294884.db2.gz SYWSXIZGNVCAMH-ROUUACIJSA-N 1 0 457.623 2.579 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCCCCC[C@@H]32)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187454 1063296809 /nfs/dbraw/zinc/29/68/09/1063296809.db2.gz USEHEPBJAOCVMT-SSTJLMRISA-N 1 0 496.722 2.935 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)CC2)C[C@H](C)O1 ZINC001291187687 1063297244 /nfs/dbraw/zinc/29/72/44/1063297244.db2.gz YCONZFCCFYJKLP-CALCHBBNSA-N 1 0 492.571 2.761 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@@H](C)O1 ZINC001291188102 1063300424 /nfs/dbraw/zinc/30/04/24/1063300424.db2.gz FNIJQIATYOFRKH-NHCUHLMSSA-N 1 0 476.710 2.913 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295352026 1063300560 /nfs/dbraw/zinc/30/05/60/1063300560.db2.gz XURUFTNFHLWGPZ-FCHUYYIVSA-N 1 0 475.682 2.876 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(N(C)Cc3ncnn3CC(F)F)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001291188182 1063301733 /nfs/dbraw/zinc/30/17/33/1063301733.db2.gz GLZBABSNCWRBFI-HZPDHXFCSA-N 1 0 468.597 2.956 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(N3CCC(C(=O)N4CCOCC4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291188327 1063302427 /nfs/dbraw/zinc/30/24/27/1063302427.db2.gz IJJVNVMWXINKKY-BGYRXZFFSA-N 1 0 490.693 2.539 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC001295353243 1063303053 /nfs/dbraw/zinc/30/30/53/1063303053.db2.gz QVHJKNBERAOXOU-SFTDATJTSA-N 1 0 456.591 2.542 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC001295353241 1063303304 /nfs/dbraw/zinc/30/33/04/1063303304.db2.gz QVHJKNBERAOXOU-NHCUHLMSSA-N 1 0 456.591 2.542 20 0 JFADRO C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccsc2)C[C@@H](C)O1 ZINC001291188859 1063306100 /nfs/dbraw/zinc/30/61/00/1063306100.db2.gz RTNNHGWQDACJQM-QZTJIDSGSA-N 1 0 460.648 2.986 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccsc2)C[C@H](C)O1 ZINC001291188860 1063306188 /nfs/dbraw/zinc/30/61/88/1063306188.db2.gz RTNNHGWQDACJQM-ROUUACIJSA-N 1 0 460.648 2.986 20 0 JFADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1F ZINC001291188977 1063306841 /nfs/dbraw/zinc/30/68/41/1063306841.db2.gz UBECKTFTKAAVEU-TVFCKZIOSA-N 1 0 478.638 2.952 20 0 JFADRO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1F ZINC001291188976 1063306882 /nfs/dbraw/zinc/30/68/82/1063306882.db2.gz UBECKTFTKAAVEU-OWSLCNJRSA-N 1 0 478.638 2.952 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291189249 1063308106 /nfs/dbraw/zinc/30/81/06/1063308106.db2.gz YCIRROMZBCUHTC-HSALFYBXSA-N 1 0 460.667 2.956 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)c[nH]2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001291189428 1063309774 /nfs/dbraw/zinc/30/97/74/1063309774.db2.gz BAAFOIPPDYJGMB-OAHLLOKOSA-N 1 0 478.439 2.825 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccsc3)n2CC[N@H+](CC)C2CC2)CC1 ZINC001295355690 1063310582 /nfs/dbraw/zinc/31/05/82/1063310582.db2.gz VNWXVYANEVBLPN-UHFFFAOYSA-N 1 0 459.664 2.999 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001295357617 1063313559 /nfs/dbraw/zinc/31/35/59/1063313559.db2.gz BIGFZMXRMLEYSW-ROUUACIJSA-N 1 0 484.630 2.999 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)[NH+]1CCCCC1 ZINC001291189993 1063313661 /nfs/dbraw/zinc/31/36/61/1063313661.db2.gz MXQPYFORCDWJJR-INIZCTEOSA-N 1 0 492.466 2.978 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001295358267 1063314288 /nfs/dbraw/zinc/31/42/88/1063314288.db2.gz IBEUTXXWJGKLLM-HOJAQTOUSA-N 1 0 470.574 2.992 20 0 JFADRO CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001295359033 1063317929 /nfs/dbraw/zinc/31/79/29/1063317929.db2.gz UCDJMYCLNIPGNM-FPOVZHCZSA-N 1 0 490.674 2.891 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001295359249 1063319057 /nfs/dbraw/zinc/31/90/57/1063319057.db2.gz WEHUESAIMNGTDO-SFHVURJKSA-N 1 0 477.617 2.679 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001295360444 1063320783 /nfs/dbraw/zinc/32/07/83/1063320783.db2.gz DJQJZPCMUCGPDT-OALUTQOASA-N 1 0 498.607 2.874 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC001295359805 1063320801 /nfs/dbraw/zinc/32/08/01/1063320801.db2.gz BFZWCKVHNAOAIB-LJQANCHMSA-N 1 0 460.598 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001295360446 1063321285 /nfs/dbraw/zinc/32/12/85/1063321285.db2.gz DJQJZPCMUCGPDT-RTBURBONSA-N 1 0 498.607 2.874 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1CCCCC[NH+]1CCCCC1 ZINC001291193373 1063322807 /nfs/dbraw/zinc/32/28/07/1063322807.db2.gz AESIQCCEXAFPFL-IBGZPJMESA-N 1 0 487.674 2.593 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001295362602 1063323156 /nfs/dbraw/zinc/32/31/56/1063323156.db2.gz QJAYMNANYKHYNM-GJZGRUSLSA-N 1 0 466.428 2.858 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1CC(C)(C)[NH+]1CCCCC1 ZINC001291193894 1063324091 /nfs/dbraw/zinc/32/40/91/1063324091.db2.gz LABYJOMSLQRANE-SFHVURJKSA-N 1 0 458.582 2.928 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295363615 1063325530 /nfs/dbraw/zinc/32/55/30/1063325530.db2.gz CXWRTKVJZJVGAI-KOSHJBKYSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCOCC1 ZINC001295365413 1063327870 /nfs/dbraw/zinc/32/78/70/1063327870.db2.gz HWWLBANCDRWYQU-SFHVURJKSA-N 1 0 463.648 2.942 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC2(CC2)C1 ZINC001295365664 1063328822 /nfs/dbraw/zinc/32/88/22/1063328822.db2.gz IRBZBKTXTKXJTN-SFHVURJKSA-N 1 0 461.632 2.696 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CCC(N)=O)CC1 ZINC001295366510 1063330337 /nfs/dbraw/zinc/33/03/37/1063330337.db2.gz ULLJYPNCGZNPRT-QGZVFWFLSA-N 1 0 456.591 2.886 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295369297 1063334226 /nfs/dbraw/zinc/33/42/26/1063334226.db2.gz CMABGKFYJBIAAH-MBSDFSHPSA-N 1 0 461.632 2.699 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CCN1CC(F)(F)F ZINC001291195918 1063335874 /nfs/dbraw/zinc/33/58/74/1063335874.db2.gz ANXYNNDLTMFEPC-ROUUACIJSA-N 1 0 485.599 2.707 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001295370294 1063335927 /nfs/dbraw/zinc/33/59/27/1063335927.db2.gz MMRDLLQPBPITSM-OAQYLSRUSA-N 1 0 478.645 2.775 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001295373072 1063340347 /nfs/dbraw/zinc/34/03/47/1063340347.db2.gz XSLSVDXCJSNKFM-RTWAWAEBSA-N 1 0 484.693 2.583 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001295373274 1063340928 /nfs/dbraw/zinc/34/09/28/1063340928.db2.gz LKRLSUQRYAXLLI-HXUWFJFHSA-N 1 0 464.618 2.680 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001295373290 1063340994 /nfs/dbraw/zinc/34/09/94/1063340994.db2.gz LSGDMCOGFSOWDS-ZWKOTPCHSA-N 1 0 487.649 2.867 20 0 JFADRO CC(C)[NH+](CCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1)C(C)C ZINC001291197128 1063341416 /nfs/dbraw/zinc/34/14/16/1063341416.db2.gz YGKXRRRNGWXYFY-NRFANRHFSA-N 1 0 476.666 2.797 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001295373538 1063341502 /nfs/dbraw/zinc/34/15/02/1063341502.db2.gz PFIGOACBRVQLJN-HOTGVXAUSA-N 1 0 485.555 2.809 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001295373994 1063342507 /nfs/dbraw/zinc/34/25/07/1063342507.db2.gz VAVREDIZXVWJLW-BHDDXSALSA-N 1 0 484.693 2.820 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001295374296 1063343047 /nfs/dbraw/zinc/34/30/47/1063343047.db2.gz WOMYXXJHLBKDFC-ZWKOTPCHSA-N 1 0 467.618 2.926 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)OC(C)(C)C1 ZINC001295374294 1063343165 /nfs/dbraw/zinc/34/31/65/1063343165.db2.gz WOMYXXJHLBKDFC-QZTJIDSGSA-N 1 0 467.618 2.926 20 0 JFADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001291197790 1063344892 /nfs/dbraw/zinc/34/48/92/1063344892.db2.gz JYRWLKAEEAAMLY-ROUUACIJSA-N 1 0 498.632 2.854 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001295376725 1063345757 /nfs/dbraw/zinc/34/57/57/1063345757.db2.gz PITFQXHXSVLSIW-QHAWAJNXSA-N 1 0 494.681 2.975 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001295377486 1063346870 /nfs/dbraw/zinc/34/68/70/1063346870.db2.gz UTRHURCPJOMCDM-XWSJACJDSA-N 1 0 477.654 2.699 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)[NH+](C)C)CCCO1 ZINC001291198068 1063347740 /nfs/dbraw/zinc/34/77/40/1063347740.db2.gz PFAUMZQVVWQIMI-SJORKVTESA-N 1 0 455.588 2.905 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001295378553 1063348010 /nfs/dbraw/zinc/34/80/10/1063348010.db2.gz GQPGCKDZEJIXQX-PXNSSMCTSA-N 1 0 458.607 2.872 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001295378588 1063348731 /nfs/dbraw/zinc/34/87/31/1063348731.db2.gz GXCGQPXSXHXFHE-IFMALSPDSA-N 1 0 486.636 2.933 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001295379195 1063349781 /nfs/dbraw/zinc/34/97/81/1063349781.db2.gz LEMAGFWOXIDDMO-IRLDBZIGSA-N 1 0 470.618 2.971 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 ZINC001295379197 1063349893 /nfs/dbraw/zinc/34/98/93/1063349893.db2.gz LEMAGFWOXIDDMO-UNMCSNQZSA-N 1 0 470.618 2.971 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379477 1063350956 /nfs/dbraw/zinc/35/09/56/1063350956.db2.gz LZWQTRPTBNEMLS-SFTDATJTSA-N 1 0 474.675 2.546 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)cc2)CC1 ZINC001295379476 1063351167 /nfs/dbraw/zinc/35/11/67/1063351167.db2.gz LZWQTRPTBNEMLS-RTWAWAEBSA-N 1 0 474.675 2.546 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)cc(F)c1 ZINC001295379895 1063352467 /nfs/dbraw/zinc/35/24/67/1063352467.db2.gz NJNNDBLBJRJRQX-WBVHZDCISA-N 1 0 455.575 2.825 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001295380439 1063353247 /nfs/dbraw/zinc/35/32/47/1063353247.db2.gz QDCBJDFKTFVRMA-UTKZUKDTSA-N 1 0 477.631 2.534 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001295382117 1063354959 /nfs/dbraw/zinc/35/49/59/1063354959.db2.gz YDEFFFQOFOWSBS-QGZVFWFLSA-N 1 0 488.036 2.773 20 0 JFADRO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C(F)(F)F)O1 ZINC001291201873 1063357811 /nfs/dbraw/zinc/35/78/11/1063357811.db2.gz CWVXGZIPNBKQRJ-IKGGRYGDSA-N 1 0 474.572 2.674 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Br)cc2)nnc1N1CCN(C)C(=O)C1 ZINC001295385108 1063360383 /nfs/dbraw/zinc/36/03/83/1063360383.db2.gz JVDQFAQYDWHEJU-INIZCTEOSA-N 1 0 479.423 2.628 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2ccccc2)CC1 ZINC001295385074 1063360445 /nfs/dbraw/zinc/36/04/45/1063360445.db2.gz JJAVAQQMBSIVNF-OAQYLSRUSA-N 1 0 453.635 2.848 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001295385592 1063361917 /nfs/dbraw/zinc/36/19/17/1063361917.db2.gz NPIBHOOQCPLNNA-QMMLZNLJSA-N 1 0 457.575 2.916 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001291205049 1063362424 /nfs/dbraw/zinc/36/24/24/1063362424.db2.gz DDCSXUBYZSJEAN-RTBURBONSA-N 1 0 492.715 2.864 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001295386728 1063363351 /nfs/dbraw/zinc/36/33/51/1063363351.db2.gz WFAHZVAOMPLONT-CJFMBICVSA-N 1 0 489.686 2.817 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC001295387186 1063363972 /nfs/dbraw/zinc/36/39/72/1063363972.db2.gz YMJKOTCJRLVBCV-JOCHJYFZSA-N 1 0 495.672 2.792 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001295387286 1063364022 /nfs/dbraw/zinc/36/40/22/1063364022.db2.gz ZSUMSQBSORCJFS-UXHICEINSA-N 1 0 456.591 2.845 20 0 JFADRO CC(C)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001291205447 1063364087 /nfs/dbraw/zinc/36/40/87/1063364087.db2.gz JANXAEGNXJAAAN-IBGZPJMESA-N 1 0 460.648 2.691 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291205545 1063364710 /nfs/dbraw/zinc/36/47/10/1063364710.db2.gz KKPNANAYKGAHOG-XUWVNRHRSA-N 1 0 472.706 2.583 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001295387572 1063364880 /nfs/dbraw/zinc/36/48/80/1063364880.db2.gz GGLSECCOHYPKBE-AZUAARDMSA-N 1 0 463.648 2.621 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001295388736 1063365985 /nfs/dbraw/zinc/36/59/85/1063365985.db2.gz KBVCGSSPAJWHGZ-IBGZPJMESA-N 1 0 474.675 2.736 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001295389083 1063366589 /nfs/dbraw/zinc/36/65/89/1063366589.db2.gz BFIPHFMDDDVSGA-HKUYNNGSSA-N 1 0 476.025 2.797 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001295389775 1063367836 /nfs/dbraw/zinc/36/78/36/1063367836.db2.gz MLBFEKHZJOVOHN-GOTSBHOMSA-N 1 0 496.704 2.517 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295389909 1063368157 /nfs/dbraw/zinc/36/81/57/1063368157.db2.gz ILMSEALSQJKIDY-LVCYWYKZSA-N 1 0 458.582 2.784 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295390224 1063369492 /nfs/dbraw/zinc/36/94/92/1063369492.db2.gz LUGMMOWIAVOFTK-SIKLNZKXSA-N 1 0 486.661 2.836 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295390919 1063371464 /nfs/dbraw/zinc/37/14/64/1063371464.db2.gz SRZSJIJHYGBCIX-MVOHMCPASA-N 1 0 492.665 2.775 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001291207350 1063374173 /nfs/dbraw/zinc/37/41/73/1063374173.db2.gz JSRDZOODCSXJHP-MSOLQXFVSA-N 1 0 470.684 2.547 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCC[N@H+](C)C1CCCCC1 ZINC001291207352 1063374356 /nfs/dbraw/zinc/37/43/56/1063374356.db2.gz JSRDZOODCSXJHP-ROUUACIJSA-N 1 0 470.684 2.547 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CCCC(F)(F)F ZINC001291207697 1063376151 /nfs/dbraw/zinc/37/61/51/1063376151.db2.gz NTWDYPZWYMUZRL-GJZGRUSLSA-N 1 0 466.574 2.541 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)c1ccsc1 ZINC001295392385 1063376242 /nfs/dbraw/zinc/37/62/42/1063376242.db2.gz KMZFCZNNYHPKJF-VAMGGRTRSA-N 1 0 487.674 2.808 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)c1ccsc1 ZINC001295392380 1063376389 /nfs/dbraw/zinc/37/63/89/1063376389.db2.gz KMZFCZNNYHPKJF-HSALFYBXSA-N 1 0 487.674 2.808 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001295392017 1063376474 /nfs/dbraw/zinc/37/64/74/1063376474.db2.gz XKXVMPJJKSAOKJ-IBGZPJMESA-N 1 0 452.582 2.855 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1)c1ccco1 ZINC001295392390 1063377086 /nfs/dbraw/zinc/37/70/86/1063377086.db2.gz KNNSWYZHAYCTNT-FQEVSTJZSA-N 1 0 473.622 2.540 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1)c1ccccc1 ZINC001295393032 1063378695 /nfs/dbraw/zinc/37/86/95/1063378695.db2.gz OIKURONMMJQHPB-FXAWDEMLSA-N 1 0 487.630 2.522 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1)c1ccsc1 ZINC001295393679 1063380033 /nfs/dbraw/zinc/38/00/33/1063380033.db2.gz UEDDPOUSLAENKW-WOJBJXKFSA-N 1 0 485.662 2.994 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C3CC3)C2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001291208598 1063381545 /nfs/dbraw/zinc/38/15/45/1063381545.db2.gz ZMWXKBAGOMXOQG-WERVVEIQSA-N 1 0 482.695 2.547 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001295394455 1063381439 /nfs/dbraw/zinc/38/14/39/1063381439.db2.gz ZQVGYAOCRLTLRH-ANULTFPQSA-N 1 0 478.682 2.864 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 ZINC001295397745 1063384773 /nfs/dbraw/zinc/38/47/73/1063384773.db2.gz QPGWKPKVXAOPOU-FQEVSTJZSA-N 1 0 452.559 2.956 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001295402457 1063387554 /nfs/dbraw/zinc/38/75/54/1063387554.db2.gz AVIXANWYSRTZGC-OAQYLSRUSA-N 1 0 456.635 2.954 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC001295402308 1063387576 /nfs/dbraw/zinc/38/75/76/1063387576.db2.gz AJECTOZPTSQMFN-XZOQPEGZSA-N 1 0 478.645 2.925 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403893 1063388950 /nfs/dbraw/zinc/38/89/50/1063388950.db2.gz GZJNHKSFDZJHKE-NTKDMRAZSA-N 1 0 487.674 2.508 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1)c1ccsc1 ZINC001295403884 1063389043 /nfs/dbraw/zinc/38/90/43/1063389043.db2.gz GZJNHKSFDZJHKE-CYFREDJKSA-N 1 0 487.674 2.508 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1)c1ccsc1 ZINC001295405038 1063392423 /nfs/dbraw/zinc/39/24/23/1063392423.db2.gz OJDPOGROIKHURC-RBUKOAKNSA-N 1 0 461.636 2.736 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 ZINC001295405746 1063394465 /nfs/dbraw/zinc/39/44/65/1063394465.db2.gz TYEZVJBMZJLHRJ-XPWALMASSA-N 1 0 470.618 2.554 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 ZINC001295406815 1063397158 /nfs/dbraw/zinc/39/71/58/1063397158.db2.gz MSGKNQZMPLZLJX-NHCUHLMSSA-N 1 0 456.591 2.754 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)c1ccccc1 ZINC001295407138 1063398608 /nfs/dbraw/zinc/39/86/08/1063398608.db2.gz PUDWXOWMJAICMQ-GSPCLOLRSA-N 1 0 485.629 2.615 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C)c1ccco1 ZINC001295407344 1063398980 /nfs/dbraw/zinc/39/89/80/1063398980.db2.gz SZZOCBKSXWOIKC-XCJLJZCSSA-N 1 0 494.662 2.522 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccsc1 ZINC001295407560 1063399209 /nfs/dbraw/zinc/39/92/09/1063399209.db2.gz WQKGMOPHDPUQMS-OALUTQOASA-N 1 0 462.664 2.963 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC001295408367 1063402005 /nfs/dbraw/zinc/40/20/05/1063402005.db2.gz ZJMMXZZPOZYJRR-PKTZIBPZSA-N 1 0 482.654 2.970 20 0 JFADRO C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(OC(F)F)c3)n1CCOCC[NH+](C)C)C[C@@H](C)O2 ZINC001291213546 1063407461 /nfs/dbraw/zinc/40/74/61/1063407461.db2.gz HHWZBROJHWITPV-QZTZHPFYSA-N 1 0 495.571 2.897 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H](C)S1 ZINC001291215128 1063421961 /nfs/dbraw/zinc/42/19/61/1063421961.db2.gz KBHCWSREVZMBBT-HDICACEKSA-N 1 0 493.699 2.790 20 0 JFADRO CC(C)[N@@H+]1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCO[C@H](C)C2)C1 ZINC001291215769 1063429257 /nfs/dbraw/zinc/42/92/57/1063429257.db2.gz VNKJIZCNAQXBSU-MOPGFXCFSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291219830 1063448293 /nfs/dbraw/zinc/44/82/93/1063448293.db2.gz SEENWAJGCWDQQP-MRXNPFEDSA-N 1 0 452.024 2.954 20 0 JFADRO CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001295449491 1063453462 /nfs/dbraw/zinc/45/34/62/1063453462.db2.gz VCNWBYXVJLASRT-PMACEKPBSA-N 1 0 456.639 2.798 20 0 JFADRO CCN(CC)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CCNC(=O)C(C)(C)C ZINC001295457057 1063459859 /nfs/dbraw/zinc/45/98/59/1063459859.db2.gz MAQXEWUSHFCUJN-UHFFFAOYSA-N 1 0 455.651 2.651 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2coc3ccccc23)CC1 ZINC001295463008 1063462769 /nfs/dbraw/zinc/46/27/69/1063462769.db2.gz HCXYUZSICUGKGO-QGZVFWFLSA-N 1 0 474.631 2.993 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)N2CCOCC2)CC1 ZINC001295463729 1063464730 /nfs/dbraw/zinc/46/47/30/1063464730.db2.gz QONNOKGKASUNRH-LJQANCHMSA-N 1 0 488.608 2.727 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H]2CCCO2)CC1 ZINC001295464986 1063468467 /nfs/dbraw/zinc/46/84/67/1063468467.db2.gz GZZOZRKYCOTMPE-OAQYLSRUSA-N 1 0 490.674 2.685 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC(=O)N1C ZINC001291228374 1063477461 /nfs/dbraw/zinc/47/74/61/1063477461.db2.gz QVASMMRCHZBFOJ-JXFKEZNVSA-N 1 0 453.978 2.963 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001295472215 1063477743 /nfs/dbraw/zinc/47/77/43/1063477743.db2.gz JHMZJDLXEASXFF-QFIPXVFZSA-N 1 0 490.674 2.720 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001295473401 1063478514 /nfs/dbraw/zinc/47/85/14/1063478514.db2.gz YMPHBYZWNKYAOC-FQEVSTJZSA-N 1 0 481.567 2.914 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(=O)OC)c2)CC1 ZINC001295474535 1063481306 /nfs/dbraw/zinc/48/13/06/1063481306.db2.gz BOUJNIFPNDQOCH-UHFFFAOYSA-N 1 0 483.617 2.938 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 ZINC001295474751 1063483019 /nfs/dbraw/zinc/48/30/19/1063483019.db2.gz GSXJOYBEUXGOMV-UHFFFAOYSA-N 1 0 461.582 2.848 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)CCN1CC(F)(F)F ZINC001291230109 1063483159 /nfs/dbraw/zinc/48/31/59/1063483159.db2.gz UYWOCJGKPYIFKS-MOPGFXCFSA-N 1 0 481.567 2.650 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncn(C)n2)CC1 ZINC001295475489 1063485762 /nfs/dbraw/zinc/48/57/62/1063485762.db2.gz WEJMFEROUGNXOC-UHFFFAOYSA-N 1 0 452.607 2.961 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2cccc(Cn3cccn3)c2)CC1 ZINC001295481762 1063493684 /nfs/dbraw/zinc/49/36/84/1063493684.db2.gz XVLCVIMCEDFTQU-UHFFFAOYSA-N 1 0 478.645 2.685 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[C@H]2CCOC2)CC1 ZINC001295482150 1063495686 /nfs/dbraw/zinc/49/56/86/1063495686.db2.gz DUPBLNMXQOGMNV-NRFANRHFSA-N 1 0 454.619 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2)CC1 ZINC001295482125 1063495760 /nfs/dbraw/zinc/49/57/60/1063495760.db2.gz DKNVSMTWFLERHV-HXUWFJFHSA-N 1 0 457.648 2.616 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)SC)CC1 ZINC001295482199 1063496774 /nfs/dbraw/zinc/49/67/74/1063496774.db2.gz GAJIPNZDNIUWCH-GOSISDBHSA-N 1 0 460.648 2.696 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1)C(C)C ZINC001291235232 1063499458 /nfs/dbraw/zinc/49/94/58/1063499458.db2.gz KQEJKFPLVRDFKN-YKSBVNFPSA-N 1 0 459.639 2.962 20 0 JFADRO CC(C)[NH+](CCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1)C(C)C ZINC001291235229 1063499498 /nfs/dbraw/zinc/49/94/98/1063499498.db2.gz KQEJKFPLVRDFKN-GBXCKJPGSA-N 1 0 459.639 2.962 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCCCO2)CC1 ZINC001295482315 1063499696 /nfs/dbraw/zinc/49/96/96/1063499696.db2.gz JTVZMXVRSDABKD-IBGZPJMESA-N 1 0 476.025 2.553 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295482405 1063501061 /nfs/dbraw/zinc/50/10/61/1063501061.db2.gz NBJFCOGRFZNINU-QPPBQGQZSA-N 1 0 483.661 2.782 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2CC2CC(F)(F)C2)CC1 ZINC001295482416 1063501287 /nfs/dbraw/zinc/50/12/87/1063501287.db2.gz NMQWVJDTWVYQME-UHFFFAOYSA-N 1 0 476.572 2.989 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CCN1C(=O)OC(C)(C)C ZINC001291237108 1063502070 /nfs/dbraw/zinc/50/20/70/1063502070.db2.gz RKSBWQUIECQUJG-KRWDZBQOSA-N 1 0 456.595 2.665 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1NC(=O)OC(C)(C)C ZINC001291237739 1063504210 /nfs/dbraw/zinc/50/42/10/1063504210.db2.gz CJQITTLOAWRVEK-ZIFCJYIRSA-N 1 0 456.595 2.569 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cc2)CC1 ZINC001295483384 1063507029 /nfs/dbraw/zinc/50/70/29/1063507029.db2.gz DAYLBZLKTHVICH-LJQANCHMSA-N 1 0 491.036 2.505 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291238574 1063507200 /nfs/dbraw/zinc/50/72/00/1063507200.db2.gz SKRMPHTZYKCBIE-QUCCMNQESA-N 1 0 470.622 2.961 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001295483575 1063508565 /nfs/dbraw/zinc/50/85/65/1063508565.db2.gz HINPUKNTQMTDSH-LJQANCHMSA-N 1 0 491.681 2.791 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)c2cccc(OC)c2)CC1 ZINC001295484322 1063509762 /nfs/dbraw/zinc/50/97/62/1063509762.db2.gz MDTMMYVXLWQTAQ-NRFANRHFSA-N 1 0 498.672 2.759 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCSCC(F)(F)F)CC1 ZINC001295484341 1063509942 /nfs/dbraw/zinc/50/99/42/1063509942.db2.gz MTIKWOBUKDMZMI-UHFFFAOYSA-N 1 0 499.607 2.934 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)c2c(C)noc2C)CC1 ZINC001295484394 1063510438 /nfs/dbraw/zinc/51/04/38/1063510438.db2.gz NCFIAOWIADGTMR-NQIIRXRSSA-N 1 0 487.649 2.919 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291240819 1063510430 /nfs/dbraw/zinc/51/04/30/1063510430.db2.gz GMKJIFGUVFEKDJ-OALUTQOASA-N 1 0 475.638 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2c(C)coc2C)CC1 ZINC001295484457 1063511271 /nfs/dbraw/zinc/51/12/71/1063511271.db2.gz NWXBHCOIAUFERV-NRFANRHFSA-N 1 0 458.607 2.768 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCCC2(C)C)CC1 ZINC001295484625 1063511942 /nfs/dbraw/zinc/51/19/42/1063511942.db2.gz PPUPLCWNHCVECS-AREMUKBSSA-N 1 0 483.661 2.580 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC001291241365 1063512405 /nfs/dbraw/zinc/51/24/05/1063512405.db2.gz MYCXPBXERXCZFB-RBUKOAKNSA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)cc2C)CC1 ZINC001295484731 1063512571 /nfs/dbraw/zinc/51/25/71/1063512571.db2.gz QVLZIJJFDOZYGU-HSZRJFAPSA-N 1 0 468.646 2.828 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001291241744 1063513230 /nfs/dbraw/zinc/51/32/30/1063513230.db2.gz SHCUVFALGMTVIY-QRVBRYPASA-N 1 0 477.654 2.558 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(NC(C)=O)cc2)CC1 ZINC001295484992 1063513688 /nfs/dbraw/zinc/51/36/88/1063513688.db2.gz SEHWLVAIUVVDFB-UHFFFAOYSA-N 1 0 481.645 2.933 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCC(F)(F)CC2)CC1 ZINC001295484981 1063513844 /nfs/dbraw/zinc/51/38/44/1063513844.db2.gz RZQWQQOZWHBYEF-HXUWFJFHSA-N 1 0 482.620 2.988 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2cccc(F)c2)CC1 ZINC001295485776 1063514383 /nfs/dbraw/zinc/51/43/83/1063514383.db2.gz YNKQKWMQWBFHDR-JOCHJYFZSA-N 1 0 488.608 2.728 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2cccc(F)c2)CC1 ZINC001295485779 1063515047 /nfs/dbraw/zinc/51/50/47/1063515047.db2.gz YNKQKWMQWBFHDR-QFIPXVFZSA-N 1 0 488.608 2.728 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(F)cc2Cl)CC1 ZINC001295485850 1063515104 /nfs/dbraw/zinc/51/51/04/1063515104.db2.gz ZCMILKSKSVZCLI-IBGZPJMESA-N 1 0 493.027 2.808 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001295487261 1063515615 /nfs/dbraw/zinc/51/56/15/1063515615.db2.gz IYWLEMDEIVEHCI-UHFFFAOYSA-N 1 0 499.660 2.868 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(OC)cc2)CC1 ZINC001295490912 1063519170 /nfs/dbraw/zinc/51/91/70/1063519170.db2.gz IYNWYSFQZONOEZ-UHFFFAOYSA-N 1 0 482.654 2.978 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cccnc2)CC1 ZINC001295490911 1063519225 /nfs/dbraw/zinc/51/92/25/1063519225.db2.gz IXQBYEAIHIWOFL-UHFFFAOYSA-N 1 0 497.594 2.775 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H]2CC=CCO2)CC1 ZINC001295491258 1063522531 /nfs/dbraw/zinc/52/25/31/1063522531.db2.gz RAALRSSADFJFNF-QHCPKHFHSA-N 1 0 496.656 2.809 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC2(O)CCCC2)CC1 ZINC001295491545 1063523143 /nfs/dbraw/zinc/52/31/43/1063523143.db2.gz UBLVYFHWZWNCSS-UHFFFAOYSA-N 1 0 498.672 2.769 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001295491618 1063524299 /nfs/dbraw/zinc/52/42/99/1063524299.db2.gz WGEQUPHPTSYXEM-LJQANCHMSA-N 1 0 496.685 2.823 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC001295491632 1063524440 /nfs/dbraw/zinc/52/44/40/1063524440.db2.gz WSUPXFVKZCAWKH-QZNHQXDQSA-N 1 0 490.693 2.756 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)c1 ZINC001295492409 1063525881 /nfs/dbraw/zinc/52/58/81/1063525881.db2.gz ASZAQNIMAODGOX-NRFANRHFSA-N 1 0 464.618 2.661 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](C)(C(=O)NC)C2)cc1 ZINC001295492651 1063526349 /nfs/dbraw/zinc/52/63/49/1063526349.db2.gz DHQZUQDFONVKKY-MHZLTWQESA-N 1 0 492.672 2.992 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001295492683 1063526443 /nfs/dbraw/zinc/52/64/43/1063526443.db2.gz FIGZELBDJIFERE-HXUWFJFHSA-N 1 0 456.616 2.787 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC001295493662 1063527783 /nfs/dbraw/zinc/52/77/83/1063527783.db2.gz VCTVQDWBEKKKHO-HSZRJFAPSA-N 1 0 482.654 2.777 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)cc1 ZINC001295494242 1063528819 /nfs/dbraw/zinc/52/88/19/1063528819.db2.gz MRMWEBNKEKICMG-UHFFFAOYSA-N 1 0 478.645 2.873 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(N)=O)CC2)cc1 ZINC001295494466 1063529295 /nfs/dbraw/zinc/52/92/95/1063529295.db2.gz POJZAGLMEXCRLR-QFIPXVFZSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)[C@@H]2C)cc1 ZINC001295494666 1063529909 /nfs/dbraw/zinc/52/99/09/1063529909.db2.gz RZFVOLIMRARGPB-REWPJTCUSA-N 1 0 495.672 2.812 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001295500851 1063534419 /nfs/dbraw/zinc/53/44/19/1063534419.db2.gz SJVLRSCHPMHVPD-WOIUINJBSA-N 1 0 475.659 2.684 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c1 ZINC001295500650 1063534443 /nfs/dbraw/zinc/53/44/43/1063534443.db2.gz QBIMPMASTKPIJX-KDYSTLNUSA-N 1 0 498.672 2.876 20 0 JFADRO CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2O[C@@H](C)C1 ZINC001291253145 1063535125 /nfs/dbraw/zinc/53/51/25/1063535125.db2.gz DSTMRLGBPMIMJN-ICSRJNTNSA-N 1 0 461.632 2.698 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)OC)CC2)c1 ZINC001295501314 1063535241 /nfs/dbraw/zinc/53/52/41/1063535241.db2.gz XMGSZRSGFAIETC-UHFFFAOYSA-N 1 0 464.574 2.514 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295502818 1063536976 /nfs/dbraw/zinc/53/69/76/1063536976.db2.gz HUWVGHYEXXYDTF-QHCPKHFHSA-N 1 0 499.685 2.653 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@](C)(O)c2ccccc2)C1 ZINC001295503019 1063537913 /nfs/dbraw/zinc/53/79/13/1063537913.db2.gz IZUGDZZYSYAKHU-QFQXNSOFSA-N 1 0 468.646 2.980 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N2CCOCC2)C1 ZINC001295503276 1063538424 /nfs/dbraw/zinc/53/84/24/1063538424.db2.gz KSQRQEKRMYALSS-VQTJNVASSA-N 1 0 488.608 2.584 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001295503657 1063539076 /nfs/dbraw/zinc/53/90/76/1063539076.db2.gz OKXAFZVOPCQRDW-QHCPKHFHSA-N 1 0 461.614 2.856 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001295504128 1063540021 /nfs/dbraw/zinc/54/00/21/1063540021.db2.gz RMCSYNBPUFBPOU-VWLOTQADSA-N 1 0 464.618 2.531 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC001295504733 1063540487 /nfs/dbraw/zinc/54/04/87/1063540487.db2.gz VVCDOGXGKDJMAG-IBGZPJMESA-N 1 0 473.666 2.998 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001295505811 1063542490 /nfs/dbraw/zinc/54/24/90/1063542490.db2.gz INTVOFDTNPLDPO-MRXNPFEDSA-N 1 0 467.039 2.739 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)n(C)c2=O)C1 ZINC001295509207 1063543653 /nfs/dbraw/zinc/54/36/53/1063543653.db2.gz TUDFLVMRLZLSAY-HFZDXXHNSA-N 1 0 486.661 2.542 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)C1 ZINC001295509349 1063544939 /nfs/dbraw/zinc/54/49/39/1063544939.db2.gz VFZBJBHJTLGSET-ROUUACIJSA-N 1 0 494.482 2.925 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC2)C1 ZINC001295510543 1063545310 /nfs/dbraw/zinc/54/53/10/1063545310.db2.gz ZQIHONJUQRGYGW-OAHLLOKOSA-N 1 0 451.413 2.739 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)c2ccccc2)C1 ZINC001295511308 1063545862 /nfs/dbraw/zinc/54/58/62/1063545862.db2.gz FNYUOYYTVCATMD-HXUWFJFHSA-N 1 0 468.627 2.982 20 0 JFADRO C[C@H](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001291256394 1063548074 /nfs/dbraw/zinc/54/80/74/1063548074.db2.gz UFILHPXREUFPDJ-PWRODBHTSA-N 1 0 496.722 2.748 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCCS2(=O)=O)C1 ZINC001295514541 1063548624 /nfs/dbraw/zinc/54/86/24/1063548624.db2.gz AEOZDEDCQKVKAI-VQTJNVASSA-N 1 0 460.648 2.784 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2OC)C1 ZINC001295515413 1063549067 /nfs/dbraw/zinc/54/90/67/1063549067.db2.gz ANXZKBLJMWYCIE-QZTJIDSGSA-N 1 0 479.622 2.544 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)C1 ZINC001295515710 1063550031 /nfs/dbraw/zinc/55/00/31/1063550031.db2.gz FJKAOKSONZHVAS-IRLDBZIGSA-N 1 0 454.619 2.700 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC001295516028 1063550331 /nfs/dbraw/zinc/55/03/31/1063550331.db2.gz DZNXBCARLSDMBQ-FNAHDJPLSA-N 1 0 481.707 2.944 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001295516077 1063550894 /nfs/dbraw/zinc/55/08/94/1063550894.db2.gz ILEUXFFZWLLHBX-XUVXKRRUSA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC001295516099 1063550912 /nfs/dbraw/zinc/55/09/12/1063550912.db2.gz IYGIBANLPQETJC-MSOLQXFVSA-N 1 0 495.550 2.782 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001295516076 1063550953 /nfs/dbraw/zinc/55/09/53/1063550953.db2.gz ILEUXFFZWLLHBX-UFYCRDLUSA-N 1 0 489.665 2.797 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001295516380 1063552524 /nfs/dbraw/zinc/55/25/24/1063552524.db2.gz HPHLHSFBFZWVKX-YADHBBJMSA-N 1 0 459.660 2.981 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCOCC2)C1 ZINC001295517661 1063553891 /nfs/dbraw/zinc/55/38/91/1063553891.db2.gz MJWUXALSUSWARO-NRFANRHFSA-N 1 0 489.064 2.939 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 ZINC001295517648 1063553926 /nfs/dbraw/zinc/55/39/26/1063553926.db2.gz MFMHDJRBBQAJEJ-MOPGFXCFSA-N 1 0 451.662 2.653 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)(C)C)C1 ZINC001295518611 1063555532 /nfs/dbraw/zinc/55/55/32/1063555532.db2.gz OWUBBBWFELJDJI-HXUWFJFHSA-N 1 0 480.661 2.990 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 ZINC001295520255 1063556189 /nfs/dbraw/zinc/55/61/89/1063556189.db2.gz UKUPFYNURVMEPW-IFMALSPDSA-N 1 0 490.674 2.644 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)C1 ZINC001295521480 1063558670 /nfs/dbraw/zinc/55/86/70/1063558670.db2.gz ZLAYJCQDRLLDHM-FGZHOGPDSA-N 1 0 454.619 2.609 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC2CCS(=O)(=O)CC2)C1 ZINC001295523481 1063560511 /nfs/dbraw/zinc/56/05/11/1063560511.db2.gz TVASFHVRPOXRMN-FQEVSTJZSA-N 1 0 493.649 2.989 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001295524741 1063562577 /nfs/dbraw/zinc/56/25/77/1063562577.db2.gz OJIFEFZTIKEAPX-HXUWFJFHSA-N 1 0 480.411 2.799 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295525109 1063563032 /nfs/dbraw/zinc/56/30/32/1063563032.db2.gz SXKWUKSIXPODNT-OAQYLSRUSA-N 1 0 481.439 2.774 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 ZINC001295527300 1063565390 /nfs/dbraw/zinc/56/53/90/1063565390.db2.gz GZIZKRITJRMKGR-LJQANCHMSA-N 1 0 463.026 2.860 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1c1nncn1C ZINC001295528072 1063565735 /nfs/dbraw/zinc/56/57/35/1063565735.db2.gz PAMICKCLFUTJRX-HXUWFJFHSA-N 1 0 486.646 2.551 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC001295529215 1063566819 /nfs/dbraw/zinc/56/68/19/1063566819.db2.gz CXFRLQAYZFDPEM-IBGZPJMESA-N 1 0 465.606 2.517 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001295531666 1063568790 /nfs/dbraw/zinc/56/87/90/1063568790.db2.gz YAJUHHAKKDAVST-OAQYLSRUSA-N 1 0 458.582 2.644 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC001295535043 1063572087 /nfs/dbraw/zinc/57/20/87/1063572087.db2.gz RYRRYFWEWQPAQU-JOCHJYFZSA-N 1 0 481.645 2.668 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295535726 1063572956 /nfs/dbraw/zinc/57/29/56/1063572956.db2.gz YTACZEGSFGCHOB-QGZVFWFLSA-N 1 0 489.621 2.841 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCSCC2)CCN1C(=O)OC(C)(C)C ZINC001291268501 1063573418 /nfs/dbraw/zinc/57/34/18/1063573418.db2.gz YDWUBACFOZHLTP-LJQANCHMSA-N 1 0 487.674 2.758 20 0 JFADRO CC[NH+](CC)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001295538431 1063573543 /nfs/dbraw/zinc/57/35/43/1063573543.db2.gz FNSSJKGJEQKPSR-VWLOTQADSA-N 1 0 454.619 2.922 20 0 JFADRO CC[NH+](CC)CCCn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001295538423 1063573676 /nfs/dbraw/zinc/57/36/76/1063573676.db2.gz FJOICJHDXKSGSY-NRFANRHFSA-N 1 0 451.662 2.677 20 0 JFADRO CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001295538747 1063574111 /nfs/dbraw/zinc/57/41/11/1063574111.db2.gz IFAJCNRPNQKHSX-NRFANRHFSA-N 1 0 476.572 2.989 20 0 JFADRO C[C@H]1CN(c2nnc(CC3CC3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291270579 1063576389 /nfs/dbraw/zinc/57/63/89/1063576389.db2.gz KOTGQFHKPNKBQJ-PKOBYXMFSA-N 1 0 458.573 2.540 20 0 JFADRO CC[NH+](CC)CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 ZINC001295541305 1063576683 /nfs/dbraw/zinc/57/66/83/1063576683.db2.gz JBVNFIYVLVSWLE-RTBURBONSA-N 1 0 466.627 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001295542666 1063577445 /nfs/dbraw/zinc/57/74/45/1063577445.db2.gz UMPAIVJUCOOTDH-OAQYLSRUSA-N 1 0 472.609 2.544 20 0 JFADRO CC[NH+](CC)CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001295543132 1063578049 /nfs/dbraw/zinc/57/80/49/1063578049.db2.gz XEKJTPWEZKAJFS-QFIPXVFZSA-N 1 0 470.618 2.827 20 0 JFADRO CC[NH+](CC)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCNC(=O)CC1 ZINC001295546049 1063581359 /nfs/dbraw/zinc/58/13/59/1063581359.db2.gz YEGMMLKLLUIQOK-UHFFFAOYSA-N 1 0 497.413 2.531 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1N1CCOCC1 ZINC001291275090 1063581751 /nfs/dbraw/zinc/58/17/51/1063581751.db2.gz MMXRFBJLXDWEPX-FYYLOGMGSA-N 1 0 470.662 2.644 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001295550131 1063582858 /nfs/dbraw/zinc/58/28/58/1063582858.db2.gz DOZCTCSAKVTAIT-SFHLNBCPSA-N 1 0 467.618 2.592 20 0 JFADRO C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCCCC2)CC(=O)N1C ZINC001291275533 1063583426 /nfs/dbraw/zinc/58/34/26/1063583426.db2.gz UATXCPUEPYSTES-HXUWFJFHSA-N 1 0 454.619 2.831 20 0 JFADRO CC[NH+](CC)CCOCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001295550586 1063583685 /nfs/dbraw/zinc/58/36/85/1063583685.db2.gz JDYISAVWZKJIHG-HXUWFJFHSA-N 1 0 451.656 2.999 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 ZINC001295550932 1063583703 /nfs/dbraw/zinc/58/37/03/1063583703.db2.gz OMZGQYWPURCLDR-JOCHJYFZSA-N 1 0 497.688 2.884 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001295551802 1063585139 /nfs/dbraw/zinc/58/51/39/1063585139.db2.gz VQTGCJWKEMVDHT-YSTOQKLRSA-N 1 0 479.622 2.669 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)S1 ZINC001291276208 1063585259 /nfs/dbraw/zinc/58/52/59/1063585259.db2.gz ICWUDTLMBXEXLN-RTBURBONSA-N 1 0 472.659 2.719 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001295552234 1063585544 /nfs/dbraw/zinc/58/55/44/1063585544.db2.gz ZMVMIYNPXOVTLQ-ICSRJNTNSA-N 1 0 493.649 2.801 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC001291276350 1063585656 /nfs/dbraw/zinc/58/56/56/1063585656.db2.gz KNQMMTZOKONLFA-PVAVHDDUSA-N 1 0 486.564 2.921 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001295553132 1063586063 /nfs/dbraw/zinc/58/60/63/1063586063.db2.gz FXQVZOWETPJBJV-MJGOQNOKSA-N 1 0 474.675 2.957 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001295553385 1063586488 /nfs/dbraw/zinc/58/64/88/1063586488.db2.gz FIMFKTRZDCMADX-HOYKHHGWSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCN1CCOCC1 ZINC001295553440 1063586507 /nfs/dbraw/zinc/58/65/07/1063586507.db2.gz HHHPSASAFZRLFI-HXUWFJFHSA-N 1 0 451.619 2.992 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC001291276802 1063588123 /nfs/dbraw/zinc/58/81/23/1063588123.db2.gz RZKCUZSMNSFVRD-AYOQOUSVSA-N 1 0 498.525 2.999 20 0 JFADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001291276921 1063588672 /nfs/dbraw/zinc/58/86/72/1063588672.db2.gz UWKNWQQTRLSXGK-BGYRXZFFSA-N 1 0 454.619 2.903 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001295555131 1063589387 /nfs/dbraw/zinc/58/93/87/1063589387.db2.gz RPQDZAWOUDZMFW-QZTJIDSGSA-N 1 0 461.586 2.749 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001295555147 1063589823 /nfs/dbraw/zinc/58/98/23/1063589823.db2.gz SPGFQHNNVVKXRA-MSOLQXFVSA-N 1 0 450.591 2.732 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001295559547 1063592552 /nfs/dbraw/zinc/59/25/52/1063592552.db2.gz DPZLDGVGFWXREA-LJQANCHMSA-N 1 0 456.639 2.638 20 0 JFADRO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C2CC2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291277820 1063593084 /nfs/dbraw/zinc/59/30/84/1063593084.db2.gz KMXXDDSCFIPSSD-RDJZCZTQSA-N 1 0 499.607 2.683 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001295560401 1063593411 /nfs/dbraw/zinc/59/34/11/1063593411.db2.gz UBPPXCPGLANUQA-CRAIPNDOSA-N 1 0 493.534 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2OC)CC1 ZINC001295561420 1063594915 /nfs/dbraw/zinc/59/49/15/1063594915.db2.gz UOSSIUCRDWXVRW-LJQANCHMSA-N 1 0 452.607 2.744 20 0 JFADRO CCN(C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)[NH+](CC)CC)CC1)S(C)(=O)=O ZINC001295562558 1063595532 /nfs/dbraw/zinc/59/55/32/1063595532.db2.gz CYNBYBLVWMIVQD-GOSISDBHSA-N 1 0 456.701 2.847 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001295562950 1063595855 /nfs/dbraw/zinc/59/58/55/1063595855.db2.gz IZVMVZINBGVJPO-DPLHUUCSSA-N 1 0 494.706 2.668 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC001295564939 1063598470 /nfs/dbraw/zinc/59/84/70/1063598470.db2.gz FKUXTRXFUOGIFS-QHAWAJNXSA-N 1 0 461.655 2.832 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC001295564938 1063598492 /nfs/dbraw/zinc/59/84/92/1063598492.db2.gz FKUXTRXFUOGIFS-NJYVYQBISA-N 1 0 461.655 2.832 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001295566340 1063599884 /nfs/dbraw/zinc/59/98/84/1063599884.db2.gz SOJSTXOONCNCCO-QWFCFKBJSA-N 1 0 473.618 2.973 20 0 JFADRO C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC[N@@H+]2CCCO)CCCO1 ZINC001291280298 1063602576 /nfs/dbraw/zinc/60/25/76/1063602576.db2.gz DCYHWJPPUJACEU-UYAOXDASSA-N 1 0 464.010 2.973 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001295567262 1063602482 /nfs/dbraw/zinc/60/24/82/1063602482.db2.gz YUGDSEBOUWKCIF-PMPSAXMXSA-N 1 0 451.559 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)c2ccccc2)CC1 ZINC001295568368 1063602567 /nfs/dbraw/zinc/60/25/67/1063602567.db2.gz MNRPGRMYTLAWDN-OAQYLSRUSA-N 1 0 461.614 2.957 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001295570961 1063607466 /nfs/dbraw/zinc/60/74/66/1063607466.db2.gz YXXTYRFIHGQCCF-GOSISDBHSA-N 1 0 499.081 2.713 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001295573111 1063610696 /nfs/dbraw/zinc/61/06/96/1063610696.db2.gz RWOHFUDEFGCYBV-FQBWVUSXSA-N 1 0 492.621 2.893 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001295573138 1063611422 /nfs/dbraw/zinc/61/14/22/1063611422.db2.gz SXHNDOQUIHDSHL-BXXSPATCSA-N 1 0 489.709 2.677 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC001295573149 1063611526 /nfs/dbraw/zinc/61/15/26/1063611526.db2.gz TZVUKVDGORBREL-GFOJFJKKSA-N 1 0 475.682 2.967 20 0 JFADRO COc1c(NC(=O)[C@H](C[N@H+](C)Cc2ccccc2)NC(=O)OC(C)(C)C)cccc1C(N)=O ZINC001295581197 1063624295 /nfs/dbraw/zinc/62/42/95/1063624295.db2.gz WUSSWHZITVDZES-IBGZPJMESA-N 1 0 456.543 2.758 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCC[N@@H+]2CCC[C@H]2CO)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291286307 1063630783 /nfs/dbraw/zinc/63/07/83/1063630783.db2.gz HDHKYTPQIQCMDP-IVAOSVALSA-N 1 0 492.665 2.716 20 0 JFADRO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(CC2CCCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001295585598 1063632290 /nfs/dbraw/zinc/63/22/90/1063632290.db2.gz WQOYLHGCCINTSL-AREMUKBSSA-N 1 0 468.646 2.806 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC[NH+]2CCC(O)CC2)CCS1 ZINC001291287296 1063637880 /nfs/dbraw/zinc/63/78/80/1063637880.db2.gz YSNAXWYFKFXOBE-QRVBRYPASA-N 1 0 494.706 2.837 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291287398 1063638914 /nfs/dbraw/zinc/63/89/14/1063638914.db2.gz AVDNALGDHLERBM-NRFANRHFSA-N 1 0 454.619 2.865 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCCOCC2)C[C@H](C)O1 ZINC001291287726 1063642258 /nfs/dbraw/zinc/64/22/58/1063642258.db2.gz GZUJXXQQFLZFBC-OALUTQOASA-N 1 0 491.036 2.588 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291287829 1063643022 /nfs/dbraw/zinc/64/30/22/1063643022.db2.gz IGWRCEANWGCHSH-NJDAHSKKSA-N 1 0 476.666 2.797 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CC(=O)N(C)C[C@H]2C)C[C@@H](C)O1 ZINC001291288414 1063648578 /nfs/dbraw/zinc/64/85/78/1063648578.db2.gz SCGKMEPMAHMJHQ-KZNAEPCWSA-N 1 0 461.010 2.765 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001291288751 1063652425 /nfs/dbraw/zinc/65/24/25/1063652425.db2.gz XYYAGBLOUDKJNA-KDURUIRLSA-N 1 0 458.582 2.789 20 0 JFADRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nnc(C2CCC2)n1CC(=O)NCC(F)(F)F ZINC001291288796 1063652463 /nfs/dbraw/zinc/65/24/63/1063652463.db2.gz YMAAHLDIYJLLHE-INIZCTEOSA-N 1 0 450.509 2.935 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001295606521 1063653454 /nfs/dbraw/zinc/65/34/54/1063653454.db2.gz BBZIUQZPDVFYII-UXHICEINSA-N 1 0 491.658 2.708 20 0 JFADRO CCN(Cc1ccc(OC)cc1OC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[N@@H+]1CC ZINC001295606523 1063653515 /nfs/dbraw/zinc/65/35/15/1063653515.db2.gz BBZIUQZPDVFYII-WOJBJXKFSA-N 1 0 491.658 2.708 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CCN1CC(F)(F)F ZINC001291289169 1063654861 /nfs/dbraw/zinc/65/48/61/1063654861.db2.gz FQIDZTGUBNZBOJ-RBUKOAKNSA-N 1 0 481.567 2.914 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3F)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291289203 1063655655 /nfs/dbraw/zinc/65/56/55/1063655655.db2.gz GEQSHJGCWYELQB-HDICACEKSA-N 1 0 458.582 2.675 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(-c3ccccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)C[C@H](C)O1 ZINC001291289435 1063656335 /nfs/dbraw/zinc/65/63/35/1063656335.db2.gz JRSMZKXZPUICNB-OALUTQOASA-N 1 0 463.586 2.575 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)CCCO1 ZINC001291289532 1063657392 /nfs/dbraw/zinc/65/73/92/1063657392.db2.gz LWEPEPLMGZTULM-MRXNPFEDSA-N 1 0 489.564 2.848 20 0 JFADRO C[C@@H]1C[N@H+](CCCn2c(-c3ccc(Br)cc3)nnc2N2CCS(=O)CC2)CCCO1 ZINC001291289549 1063657470 /nfs/dbraw/zinc/65/74/70/1063657470.db2.gz MDGXKMSTOUPWSY-QGZVFWFLSA-N 1 0 496.475 2.777 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3ccccc3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[C@H](C)O1 ZINC001291289716 1063658927 /nfs/dbraw/zinc/65/89/27/1063658927.db2.gz OSFCYCSCVKUFDR-NSHGMRRFSA-N 1 0 494.562 2.949 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccccn3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CCCO1 ZINC001291289924 1063660434 /nfs/dbraw/zinc/66/04/34/1063660434.db2.gz RYAKMHFNIKKJHR-FQEVSTJZSA-N 1 0 469.634 2.536 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC3(CCN(C)C3=O)CC2)C[C@H](C)O1 ZINC001291290445 1063665009 /nfs/dbraw/zinc/66/50/09/1063665009.db2.gz ABLCTQVGNWFILV-BGYRXZFFSA-N 1 0 460.667 2.815 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC001291291288 1063668324 /nfs/dbraw/zinc/66/83/24/1063668324.db2.gz MULDXGANHFDGOR-MHTWAQMVSA-N 1 0 492.665 2.775 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC001291292118 1063674124 /nfs/dbraw/zinc/67/41/24/1063674124.db2.gz ZBMFQTQLDCNBML-JZXOWHBKSA-N 1 0 455.529 2.957 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](O)C2)C[C@@H](C)O1 ZINC001291292589 1063676903 /nfs/dbraw/zinc/67/69/03/1063676903.db2.gz GOUWEQHAFDJVSY-IDVKNYFZSA-N 1 0 463.573 2.854 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291292741 1063678390 /nfs/dbraw/zinc/67/83/90/1063678390.db2.gz ISALJYWFJBFCLG-XJUOHMSHSA-N 1 0 483.661 2.504 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C(F)(F)F)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291293150 1063682665 /nfs/dbraw/zinc/68/26/65/1063682665.db2.gz PPXKDDBIWABCEK-FTEYMNFISA-N 1 0 482.551 2.919 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C(N)=O)CC2)C[C@@H](C)O1 ZINC001291293182 1063682675 /nfs/dbraw/zinc/68/26/75/1063682675.db2.gz QIWRICFXRSTGQB-QZTJIDSGSA-N 1 0 491.036 2.712 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccccc3F)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001291293418 1063684422 /nfs/dbraw/zinc/68/44/22/1063684422.db2.gz UQMVTRCMQWACKZ-KDURUIRLSA-N 1 0 474.625 2.858 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(CCCc2ccccc2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291293783 1063686252 /nfs/dbraw/zinc/68/62/52/1063686252.db2.gz ZLYVKSZXIFAXJX-FCHUYYIVSA-N 1 0 468.646 2.621 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)C[C@H](C)O1 ZINC001291293621 1063686307 /nfs/dbraw/zinc/68/63/07/1063686307.db2.gz XHTVFSGLUVTWJU-QHAWAJNXSA-N 1 0 460.667 2.957 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC(F)F ZINC001291293923 1063686906 /nfs/dbraw/zinc/68/69/06/1063686906.db2.gz 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OWHBYGHMFFMYTB-IBGZPJMESA-N 1 0 490.674 2.685 20 0 JFADRO CCN(CC1CCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+](C)C)CCCCC1 ZINC001295710707 1063730158 /nfs/dbraw/zinc/73/01/58/1063730158.db2.gz SZQLVTKMCLPJHJ-FQEVSTJZSA-N 1 0 482.695 2.502 20 0 JFADRO CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295722317 1063737774 /nfs/dbraw/zinc/73/77/74/1063737774.db2.gz KGFXMEJDNNMCHV-RXVVDRJESA-N 1 0 464.408 2.780 20 0 JFADRO C[C@@H]1CSCCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291310769 1063740986 /nfs/dbraw/zinc/74/09/86/1063740986.db2.gz HOZFQYRTSLFJIE-SJLPKXTDSA-N 1 0 478.066 2.878 20 0 JFADRO C[C@@H]1CSCCN1c1nnc(Cc2ccsc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291314326 1063746614 /nfs/dbraw/zinc/74/66/14/1063746614.db2.gz ZAYLSJPZSSATPE-IEBWSBKVSA-N 1 0 462.689 2.815 20 0 JFADRO C[C@@H]1N(c2nnc(-c3cc(Br)cn3C)n2CCOCC[NH+](C)C)CCOC1(C)C ZINC001291316115 1063749941 /nfs/dbraw/zinc/74/99/41/1063749941.db2.gz NEPORWWEIUMDOT-HNNXBMFYSA-N 1 0 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CC[C@](C)(O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291373959 1063902601 /nfs/dbraw/zinc/90/26/01/1063902601.db2.gz ANLHXTVCYCZDDU-BLFHIAQRSA-N 1 0 486.636 2.548 20 0 JFADRO CC[N@H+](CCn1c(N2C[C@@H](C)OC3(CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868026 1063903721 /nfs/dbraw/zinc/90/37/21/1063903721.db2.gz CYKPYPBVMZFSHB-PXDATVDWSA-N 1 0 479.666 2.823 20 0 JFADRO CC[N@H+](CCn1c(COc2ccccc2OC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)C(C)C ZINC001295868657 1063905204 /nfs/dbraw/zinc/90/52/04/1063905204.db2.gz TVKFSPGHWFLKML-MOPGFXCFSA-N 1 0 472.590 2.531 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1)C1CC1 ZINC001295870271 1063907860 /nfs/dbraw/zinc/90/78/60/1063907860.db2.gz XGWOVLYYIIUZNF-CEMLEFRQSA-N 1 0 460.667 2.986 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CC[N@@H+](C2CC2)C1 ZINC001295877947 1063919394 /nfs/dbraw/zinc/91/93/94/1063919394.db2.gz OYFBSRVBZOXSRQ-INIZCTEOSA-N 1 0 482.050 2.962 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([NH+](C)C)CCCCC1 ZINC001295879340 1063922634 /nfs/dbraw/zinc/92/26/34/1063922634.db2.gz YQCIISJEMWHTGY-UHFFFAOYSA-N 1 0 477.631 2.809 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001295879310 1063922650 /nfs/dbraw/zinc/92/26/50/1063922650.db2.gz YDOWNRVBUXCXCD-IBGZPJMESA-N 1 0 491.658 2.709 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc3cccnc32)n1CC1([NH+](C)C)CCC1 ZINC001295879206 1063922727 /nfs/dbraw/zinc/92/27/27/1063922727.db2.gz XQRBHPRMBLUBKG-UHFFFAOYSA-N 1 0 456.616 2.849 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001295880417 1063924709 /nfs/dbraw/zinc/92/47/09/1063924709.db2.gz BOLHYNIOYXSXCU-UXHICEINSA-N 1 0 455.669 2.759 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001295881800 1063927916 /nfs/dbraw/zinc/92/79/16/1063927916.db2.gz RROJWMVSSMTVHK-HXUWFJFHSA-N 1 0 499.747 2.795 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001295884625 1063931092 /nfs/dbraw/zinc/93/10/92/1063931092.db2.gz ABWIFEBHWBEGSJ-WMZHIEFXSA-N 1 0 462.664 2.645 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001295886413 1063933603 /nfs/dbraw/zinc/93/36/03/1063933603.db2.gz OSAOFFCSHHJMOO-FQEVSTJZSA-N 1 0 465.639 2.999 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccc2F)n1CC1([NH+]2CCCC2)CCOCC1 ZINC001295886942 1063934596 /nfs/dbraw/zinc/93/45/96/1063934596.db2.gz RXNLVLJNNLBMCO-UHFFFAOYSA-N 1 0 493.649 2.524 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001291387639 1063935817 /nfs/dbraw/zinc/93/58/17/1063935817.db2.gz NKILHXREVPWBPM-MHECFPHRSA-N 1 0 490.052 2.535 20 0 JFADRO CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(Cl)cc4Cl)n3C[C@H](C)[NH+](C)C)CCN2C1=O ZINC001295890093 1063940922 /nfs/dbraw/zinc/94/09/22/1063940922.db2.gz LEMRVBHUBUZNHP-GUYCJALGSA-N 1 0 480.400 2.675 20 0 JFADRO CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(Cl)cc4)n3CC[N@H+](CC)C(C)C)CCN2C1=O ZINC001295891066 1063942363 /nfs/dbraw/zinc/94/23/63/1063942363.db2.gz VNODZBMXHXAVJM-LJQANCHMSA-N 1 0 474.009 2.802 20 0 JFADRO CCn1cc(C2CCN(c3nnc(CN4CCCC4=O)n3C[C@H](CC(C)C)[NH+](C)C)CC2)cn1 ZINC001295897152 1063951409 /nfs/dbraw/zinc/95/14/09/1063951409.db2.gz WDEVWZHOBJBHHI-QFIPXVFZSA-N 1 0 470.666 2.977 20 0 JFADRO CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291397092 1063953356 /nfs/dbraw/zinc/95/33/56/1063953356.db2.gz GNQWSSUKOPMSSB-IYXIZZNPSA-N 1 0 495.734 2.926 20 0 JFADRO CCn1cc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)cn1 ZINC001295901151 1063954480 /nfs/dbraw/zinc/95/44/80/1063954480.db2.gz GLMVDUIWNFYNLX-IBGZPJMESA-N 1 0 465.606 2.899 20 0 JFADRO CCn1cc([C@H]2CN(c3nnc(-c4cccc(Cl)c4)n3CCOCC[NH+](C)C)CCO2)cn1 ZINC001295902391 1063956288 /nfs/dbraw/zinc/95/62/88/1063956288.db2.gz MHPIXRPDTTVOFY-OAQYLSRUSA-N 1 0 474.009 2.971 20 0 JFADRO 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/nfs/dbraw/zinc/02/89/16/1064028916.db2.gz DWECNLCZHBLACU-FKBYEOEOSA-N 1 0 490.693 2.804 20 0 JFADRO CCN(CCCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001295980398 1064030012 /nfs/dbraw/zinc/03/00/12/1064030012.db2.gz YTDWOUFQPHQFOR-OALUTQOASA-N 1 0 478.663 2.544 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001295980684 1064031125 /nfs/dbraw/zinc/03/11/25/1064031125.db2.gz RAEWKSUZZYNQTC-RTBURBONSA-N 1 0 477.654 2.690 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1(COC)CCC1 ZINC001291470381 1064031355 /nfs/dbraw/zinc/03/13/55/1064031355.db2.gz PGBPJOQPYUPHOM-TUNNFDKTSA-N 1 0 460.667 2.987 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(=O)Nc1ccc(F)cc1 ZINC001291470773 1064031942 /nfs/dbraw/zinc/03/19/42/1064031942.db2.gz VDTDPMWOSWCFPN-YDHSSHFGSA-N 1 0 499.635 2.948 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2c(C)cccc2C)C[C@@H]1C ZINC001295981817 1064033254 /nfs/dbraw/zinc/03/32/54/1064033254.db2.gz SAWTXMSGNFUEBT-SLFFLAALSA-N 1 0 478.663 2.503 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCCn2ccnn2)C[C@H]1C ZINC001295983908 1064040228 /nfs/dbraw/zinc/04/02/28/1064040228.db2.gz XQJKZKGGHNPXLG-HZPDHXFCSA-N 1 0 476.427 2.647 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001295984049 1064040783 /nfs/dbraw/zinc/04/07/83/1064040783.db2.gz KIVRTGVDJFGENU-BFYDXBDKSA-N 1 0 491.434 2.914 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC[C@H]2COCCO2)C[C@H]1C ZINC001295987341 1064043529 /nfs/dbraw/zinc/04/35/29/1064043529.db2.gz ZWIONJSETILBRB-HBFSDRIKSA-N 1 0 459.591 2.687 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccc(OC)c2)C[C@@H]1C ZINC001295989546 1064044472 /nfs/dbraw/zinc/04/44/72/1064044472.db2.gz BNQMJPDCIGJTSF-OALUTQOASA-N 1 0 463.586 2.698 20 0 JFADRO CN(C(=O)COc1cccc(N2CCCC2=O)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001295990985 1064045902 /nfs/dbraw/zinc/04/59/02/1064045902.db2.gz ONYNPHDASSBFLQ-ZEQRLZLVSA-N 1 0 456.631 2.988 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCOC2)C[C@H]1C ZINC001295993040 1064047843 /nfs/dbraw/zinc/04/78/43/1064047843.db2.gz BUEINEOCDPOXNW-WCIQWLHISA-N 1 0 478.638 2.542 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)C[C@H]1C ZINC001295993422 1064048733 /nfs/dbraw/zinc/04/87/33/1064048733.db2.gz SBEYGPXWTRTNJP-LVCYWYKZSA-N 1 0 465.577 2.742 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001295994747 1064050623 /nfs/dbraw/zinc/05/06/23/1064050623.db2.gz JKARCAZWKWBMAT-RYRKJORJSA-N 1 0 493.454 2.588 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(Cn3cccn3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291501736 1064052000 /nfs/dbraw/zinc/05/20/00/1064052000.db2.gz VCLLCWHIEZSONY-UNMCSNQZSA-N 1 0 470.666 2.847 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001295996819 1064053236 /nfs/dbraw/zinc/05/32/36/1064053236.db2.gz NSOGWSCBTBSAHP-ROUUACIJSA-N 1 0 481.601 2.923 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccc(COCCOC)cc2)C[C@@H]1C ZINC001295998205 1064055271 /nfs/dbraw/zinc/05/52/71/1064055271.db2.gz TYVOJAYHSXMIKY-PMACEKPBSA-N 1 0 465.602 2.865 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001291504197 1064055887 /nfs/dbraw/zinc/05/58/87/1064055887.db2.gz LZLQOKCFMISCBU-SJLPKXTDSA-N 1 0 468.693 2.922 20 0 JFADRO CCN(CCCn1c(Cc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC001296000356 1064057045 /nfs/dbraw/zinc/05/70/45/1064057045.db2.gz CJKQGEBRDYVRMH-OALUTQOASA-N 1 0 480.654 2.599 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291506577 1064057137 /nfs/dbraw/zinc/05/71/37/1064057137.db2.gz BZLNWRWLJZQPMI-KRWDZBQOSA-N 1 0 452.669 2.526 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001296001468 1064057475 /nfs/dbraw/zinc/05/74/75/1064057475.db2.gz IAFUIZRYGXCVGQ-FGZHOGPDSA-N 1 0 467.662 2.744 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001296001199 1064057502 /nfs/dbraw/zinc/05/75/02/1064057502.db2.gz GIDYNTAKJWDSMI-VQTJNVASSA-N 1 0 453.635 2.831 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001296003266 1064058533 /nfs/dbraw/zinc/05/85/33/1064058533.db2.gz SKSVJNXYVORHSC-BHIFYINESA-N 1 0 468.646 2.591 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@@H]1C ZINC001296003268 1064058564 /nfs/dbraw/zinc/05/85/64/1064058564.db2.gz SKSVJNXYVORHSC-FKBYEOEOSA-N 1 0 468.646 2.591 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2C[C@H]2CC(=O)N(CCOC)C2)C[C@H]1C ZINC001296003269 1064058596 /nfs/dbraw/zinc/05/85/96/1064058596.db2.gz SKSVJNXYVORHSC-FSSWDIPSSA-N 1 0 468.646 2.591 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N3CCCC3=O)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001291508766 1064060223 /nfs/dbraw/zinc/06/02/23/1064060223.db2.gz QXBIIORMCBRWKN-HXUWFJFHSA-N 1 0 459.683 2.656 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1Cc1ncccc1N(C)C ZINC001291510520 1064062343 /nfs/dbraw/zinc/06/23/43/1064062343.db2.gz XLQUUHJCAXIGBU-NHCUHLMSSA-N 1 0 454.667 2.906 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccc(OC)cc2)C[C@@H]1C ZINC001296009326 1064063917 /nfs/dbraw/zinc/06/39/17/1064063917.db2.gz JUGIKQZGTRTXSE-SLFFLAALSA-N 1 0 470.618 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC[C@H]2COCCO2)C[C@@H]1C ZINC001296009564 1064065375 /nfs/dbraw/zinc/06/53/75/1064065375.db2.gz LNYLBQVIKDUMRK-JTAQYXEDSA-N 1 0 457.619 2.796 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001296009808 1064066931 /nfs/dbraw/zinc/06/69/31/1064066931.db2.gz IHENTXCBQOWWQC-CABCVRRESA-N 1 0 474.660 2.591 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001291514400 1064067220 /nfs/dbraw/zinc/06/72/20/1064067220.db2.gz RUKCRCROVUNECF-SFHVURJKSA-N 1 0 454.685 2.964 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296009926 1064067560 /nfs/dbraw/zinc/06/75/60/1064067560.db2.gz NVBDUFSHGDYFGY-IPJJNNNSSA-N 1 0 475.707 2.910 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC001291514488 1064067583 /nfs/dbraw/zinc/06/75/83/1064067583.db2.gz UKGKDHFUHYRHHX-LJQANCHMSA-N 1 0 474.675 2.758 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001296010375 1064068629 /nfs/dbraw/zinc/06/86/29/1064068629.db2.gz PUHVGICAJYMMSB-OALUTQOASA-N 1 0 454.619 2.517 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CC3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001296011249 1064070565 /nfs/dbraw/zinc/07/05/65/1064070565.db2.gz UNQAELYSLMEFDD-ZIFCJYIRSA-N 1 0 458.573 2.803 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)C[C@@H]1C ZINC001296011434 1064071098 /nfs/dbraw/zinc/07/10/98/1064071098.db2.gz OYDDXNGXFQBKCK-ROUUACIJSA-N 1 0 453.616 2.826 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOC[C@@H]2CCOC2)C[C@@H]1C ZINC001296011683 1064071603 /nfs/dbraw/zinc/07/16/03/1064071603.db2.gz QEZKSDQBFJJOFF-FKBYEOEOSA-N 1 0 459.639 2.502 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC3(CCN(C)C3=O)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291522060 1064073926 /nfs/dbraw/zinc/07/39/26/1064073926.db2.gz YBUONBCNZWGPFE-NHCUHLMSSA-N 1 0 459.683 2.514 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296013596 1064074505 /nfs/dbraw/zinc/07/45/05/1064074505.db2.gz WNFFRVOAFFQEFQ-RTWAWAEBSA-N 1 0 482.633 2.527 20 0 JFADRO CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524097 1064074560 /nfs/dbraw/zinc/07/45/60/1064074560.db2.gz GBYKPACWKSLYOR-SIKLNZKXSA-N 1 0 482.677 2.758 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001296015259 1064077142 /nfs/dbraw/zinc/07/71/42/1064077142.db2.gz RKFIVACYSARHNS-ZCNNSNEGSA-N 1 0 492.665 2.811 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@H](CNC(C)=O)C2)n1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001291538046 1064078949 /nfs/dbraw/zinc/07/89/49/1064078949.db2.gz LDWGTCASBWRJFI-RCZVLFRGSA-N 1 0 481.689 2.962 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CCN2CCOCC2(C)C)C[C@@H]1C ZINC001296017305 1064079314 /nfs/dbraw/zinc/07/93/14/1064079314.db2.gz XWWIQENSQBOMPE-LEWJYISDSA-N 1 0 486.661 2.895 20 0 JFADRO CCN1C[C@@H](CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[NH+](C)C)Oc2ccccc21 ZINC001296019465 1064081371 /nfs/dbraw/zinc/08/13/71/1064081371.db2.gz YSGLGFULRVSASB-GJPOJAMWSA-N 1 0 472.634 2.676 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291539735 1064081667 /nfs/dbraw/zinc/08/16/67/1064081667.db2.gz IJQHJWBAQWPOAW-PWIZWCRZSA-N 1 0 483.596 2.766 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001291539734 1064081680 /nfs/dbraw/zinc/08/16/80/1064081680.db2.gz IJQHJWBAQWPOAW-FFZOFVMBSA-N 1 0 483.596 2.766 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001296021430 1064081947 /nfs/dbraw/zinc/08/19/47/1064081947.db2.gz HHEHXDXFCHHDQL-AZUAARDMSA-N 1 0 454.685 2.883 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(C)C)nnc2N2CCN([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC001296021722 1064082369 /nfs/dbraw/zinc/08/23/69/1064082369.db2.gz KEBNOYNVIABGLE-QHCPKHFHSA-N 1 0 467.662 2.872 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001296022399 1064083116 /nfs/dbraw/zinc/08/31/16/1064083116.db2.gz YPQMZJNTJDXXFM-GCJKJVERSA-N 1 0 475.659 2.678 20 0 JFADRO CCN(C1CCN(c2nnc(-c3cccn3C)n2CCC2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC001296022451 1064083125 /nfs/dbraw/zinc/08/31/25/1064083125.db2.gz ABRUDSFEQQTBNT-UHFFFAOYSA-N 1 0 491.706 2.656 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296022677 1064083524 /nfs/dbraw/zinc/08/35/24/1064083524.db2.gz CQFOGZMHGQLUST-UHFFFAOYSA-N 1 0 454.619 2.671 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001296023193 1064083734 /nfs/dbraw/zinc/08/37/34/1064083734.db2.gz IOOVGHHLQJKLPB-QGZVFWFLSA-N 1 0 467.540 2.900 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001296024414 1064084059 /nfs/dbraw/zinc/08/40/59/1064084059.db2.gz ZPBDXSBPOVPMTR-UHFFFAOYSA-N 1 0 467.662 2.714 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CS(=O)(=O)CC)CC1 ZINC001296024705 1064084719 /nfs/dbraw/zinc/08/47/19/1064084719.db2.gz GWHJWXDWIGCWNJ-QUCCMNQESA-N 1 0 455.669 2.554 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001296024794 1064085003 /nfs/dbraw/zinc/08/50/03/1064085003.db2.gz JMECAROJYBZCEG-MSOLQXFVSA-N 1 0 459.607 2.784 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001296025804 1064085638 /nfs/dbraw/zinc/08/56/38/1064085638.db2.gz VWPXQIAAZBSMTH-YADHBBJMSA-N 1 0 460.667 2.893 20 0 JFADRO CC[NH+]1CCC(CCn2c(CN3CCCC3=O)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296026302 1064086001 /nfs/dbraw/zinc/08/60/01/1064086001.db2.gz BHKZPSLIGNNFMG-UHFFFAOYSA-N 1 0 484.567 2.870 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001296026311 1064086017 /nfs/dbraw/zinc/08/60/17/1064086017.db2.gz BMEYICSWLLAZGD-NRFANRHFSA-N 1 0 457.623 2.651 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccsc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296026361 1064086243 /nfs/dbraw/zinc/08/62/43/1064086243.db2.gz CNOURGJIAIFJEM-IBGZPJMESA-N 1 0 451.662 2.676 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccsc3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001296027597 1064086972 /nfs/dbraw/zinc/08/69/72/1064086972.db2.gz QFQJPJQRTACZNC-UHFFFAOYSA-N 1 0 494.731 2.818 20 0 JFADRO CC[NH+]1CCC(CCn2c(CC(C)C)nnc2N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC001296028350 1064087627 /nfs/dbraw/zinc/08/76/27/1064087627.db2.gz YROWUNWMYVQKDK-OAQYLSRUSA-N 1 0 470.666 2.996 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296030640 1064087942 /nfs/dbraw/zinc/08/79/42/1064087942.db2.gz GQTJVBOHZWJHSO-PMACEKPBSA-N 1 0 489.665 2.784 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3ccccc3)C2)C1 ZINC001296031094 1064089052 /nfs/dbraw/zinc/08/90/52/1064089052.db2.gz PUEMMBIBGSCABA-RBBKRZOGSA-N 1 0 453.635 2.863 20 0 JFADRO CC[NH+]1CCC(CCn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001296031157 1064089102 /nfs/dbraw/zinc/08/91/02/1064089102.db2.gz ROQTUGOSJJUCCR-SANMLTNESA-N 1 0 490.693 2.745 20 0 JFADRO CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001296031580 1064089402 /nfs/dbraw/zinc/08/94/02/1064089402.db2.gz WKKLSRATGRRUPY-AREMUKBSSA-N 1 0 484.645 2.950 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296031621 1064089677 /nfs/dbraw/zinc/08/96/77/1064089677.db2.gz YHHQRTPQTYIDAR-GOTSBHOMSA-N 1 0 490.693 2.819 20 0 JFADRO CCN1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2CC[N@H+](CC)C2)CC1=O ZINC001296033121 1064091336 /nfs/dbraw/zinc/09/13/36/1064091336.db2.gz JYNHMBVDIFVUHT-MOPGFXCFSA-N 1 0 458.582 2.958 20 0 JFADRO CC[C@H](C)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001291560272 1064092155 /nfs/dbraw/zinc/09/21/55/1064092155.db2.gz QVNORTLBRZZSIJ-YADHBBJMSA-N 1 0 461.699 2.760 20 0 JFADRO CC[C@H](C)c1nnc(N2CCCN(C(=O)C3CC3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291561103 1064092310 /nfs/dbraw/zinc/09/23/10/1064092310.db2.gz QRGGKPPYNDZEJR-NRFANRHFSA-N 1 0 459.683 2.658 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296034145 1064092800 /nfs/dbraw/zinc/09/28/00/1064092800.db2.gz RFECPHTXBFICOV-CEXWTWQISA-N 1 0 498.632 2.617 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296034431 1064093007 /nfs/dbraw/zinc/09/30/07/1064093007.db2.gz VCPZPTKLYHIGRO-LEWJYISDSA-N 1 0 469.634 2.838 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001296035157 1064094260 /nfs/dbraw/zinc/09/42/60/1064094260.db2.gz APYNDJRVECMGTP-LJQANCHMSA-N 1 0 474.675 2.666 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001296036086 1064095445 /nfs/dbraw/zinc/09/54/45/1064095445.db2.gz HASUNPBRNKHMGF-JKSUJKDBSA-N 1 0 455.028 2.595 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCN(C(=O)OC)CC2)C1 ZINC001296036389 1064095766 /nfs/dbraw/zinc/09/57/66/1064095766.db2.gz JDODVVCTGBGAGT-IBGZPJMESA-N 1 0 486.617 2.971 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296037914 1064097852 /nfs/dbraw/zinc/09/78/52/1064097852.db2.gz MUZVXEHWWKAIDW-GOSISDBHSA-N 1 0 491.658 2.708 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCC(=O)N1CCCCC1 ZINC001291572166 1064098258 /nfs/dbraw/zinc/09/82/58/1064098258.db2.gz ZCBSUVUDWMHKKZ-HXUWFJFHSA-N 1 0 456.639 2.640 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(C(C)=O)C[C@H]2C)C1 ZINC001296037966 1064098239 /nfs/dbraw/zinc/09/82/39/1064098239.db2.gz NJVAGXVIHYRKMY-SJLPKXTDSA-N 1 0 462.545 2.945 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cc(OC)c(OC)c(OC)c3)nnc2N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001296038011 1064098620 /nfs/dbraw/zinc/09/86/20/1064098620.db2.gz NWCRVGNYQLDQGC-KSZLIROESA-N 1 0 459.591 2.926 20 0 JFADRO CCN(c1nnc(-c2ccccc2Cl)n1C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001296039269 1064099023 /nfs/dbraw/zinc/09/90/23/1064099023.db2.gz SALJFYGBLBJGQP-SJORKVTESA-N 1 0 452.024 2.954 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001296039742 1064099778 /nfs/dbraw/zinc/09/97/78/1064099778.db2.gz SUEVIDSRUWPKNZ-ICSRJNTNSA-N 1 0 491.658 2.706 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(Br)c3)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001296040386 1064100272 /nfs/dbraw/zinc/10/02/72/1064100272.db2.gz UVBGNNWUWMFPQG-INIZCTEOSA-N 1 0 476.423 2.511 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccccc3Br)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001296040949 1064100816 /nfs/dbraw/zinc/10/08/16/1064100816.db2.gz ZUNQHROCXXRFAY-BTYIYWSLSA-N 1 0 461.408 2.751 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC001296041376 1064101913 /nfs/dbraw/zinc/10/19/13/1064101913.db2.gz CBJMJHQWCNUVOJ-SJORKVTESA-N 1 0 478.544 2.817 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)(F)C(F)F)CC2)C1 ZINC001296042832 1064102342 /nfs/dbraw/zinc/10/23/42/1064102342.db2.gz OWMCLYKMCASDQO-MRXNPFEDSA-N 1 0 457.520 2.648 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296043460 1064102638 /nfs/dbraw/zinc/10/26/38/1064102638.db2.gz VJYFLVIFADTEAB-FUHWJXTLSA-N 1 0 461.408 2.970 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(Br)c2)C1 ZINC001296043461 1064102654 /nfs/dbraw/zinc/10/26/54/1064102654.db2.gz VJYFLVIFADTEAB-SJLPKXTDSA-N 1 0 461.408 2.970 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccn3C)nnc2N(CCNC(C)=O)Cc2ccsc2)C1 ZINC001296043717 1064102732 /nfs/dbraw/zinc/10/27/32/1064102732.db2.gz XLVKHXKQZQVTAL-IBGZPJMESA-N 1 0 455.632 2.830 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2Cl)C1 ZINC001296043796 1064103257 /nfs/dbraw/zinc/10/32/57/1064103257.db2.gz ADLXQRZDJPOONY-WMZOPIPTSA-N 1 0 452.024 2.812 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001296043878 1064103288 /nfs/dbraw/zinc/10/32/88/1064103288.db2.gz AXYZRVYUQMMBDV-XUVXKRRUSA-N 1 0 462.639 2.960 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001291578582 1064104142 /nfs/dbraw/zinc/10/41/42/1064104142.db2.gz FHJROYUTDQCGJS-YQVWRLOYSA-N 1 0 475.663 2.747 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)Cc2ccccn2)C1 ZINC001296044268 1064104148 /nfs/dbraw/zinc/10/41/48/1064104148.db2.gz BQLRJUGHMCDYLU-TZIWHRDSSA-N 1 0 485.633 2.960 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001296044952 1064105199 /nfs/dbraw/zinc/10/51/99/1064105199.db2.gz HCSMKPSNLWBIQZ-SFHVURJKSA-N 1 0 466.051 2.878 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)NC3CCCCC3)CC2)C1 ZINC001296047639 1064106978 /nfs/dbraw/zinc/10/69/78/1064106978.db2.gz UCLWBKJTKQSDMK-OAQYLSRUSA-N 1 0 473.710 2.779 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001291580444 1064108389 /nfs/dbraw/zinc/10/83/89/1064108389.db2.gz UNDBZEUPGPILPT-JOCHJYFZSA-N 1 0 487.693 2.719 20 0 JFADRO CCN(C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CC[N@H+](CC)C2)CC1)S(C)(=O)=O ZINC001296049021 1064109242 /nfs/dbraw/zinc/10/92/42/1064109242.db2.gz GBJXJXBIOPBBNR-FQEVSTJZSA-N 1 0 466.696 2.603 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291580757 1064109419 /nfs/dbraw/zinc/10/94/19/1064109419.db2.gz BGLHKNREQOQTNP-LNRXMEIDSA-N 1 0 460.667 2.987 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(CCOc3ccccc3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296050291 1064109478 /nfs/dbraw/zinc/10/94/78/1064109478.db2.gz PQOSRVRVLHUYBL-RBBKRZOGSA-N 1 0 475.659 2.645 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291580818 1064109950 /nfs/dbraw/zinc/10/99/50/1064109950.db2.gz UVBOINOIVKRZPI-MHECFPHRSA-N 1 0 472.659 2.897 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001296050405 1064110036 /nfs/dbraw/zinc/11/00/36/1064110036.db2.gz RALNDRQPBWQEBI-QFIPXVFZSA-N 1 0 488.702 2.655 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CCC(S(=O)(=O)CC)CC2)C1 ZINC001296050305 1064110081 /nfs/dbraw/zinc/11/00/81/1064110081.db2.gz PVTAKDZNODBFHB-GOSISDBHSA-N 1 0 463.623 2.753 20 0 JFADRO 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CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001296083144 1064150938 /nfs/dbraw/zinc/15/09/38/1064150938.db2.gz DGODWOCHWISVCX-LJQANCHMSA-N 1 0 470.528 2.963 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001291613500 1064150915 /nfs/dbraw/zinc/15/09/15/1064150915.db2.gz FXAOHKRWPHQXLK-UGKGYDQZSA-N 1 0 470.666 2.762 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291614262 1064151748 /nfs/dbraw/zinc/15/17/48/1064151748.db2.gz JOYIURRBCURQAG-NRSPTQNISA-N 1 0 486.665 2.725 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001296084705 1064152259 /nfs/dbraw/zinc/15/22/59/1064152259.db2.gz NYDLYVLBOQTYFU-SFTDATJTSA-N 1 0 474.675 2.894 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3nc(C)cc(C)n3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291616036 1064153187 /nfs/dbraw/zinc/15/31/87/1064153187.db2.gz WGZGZFKHACOWSJ-LJQANCHMSA-N 1 0 469.682 2.551 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1OC ZINC001296085210 1064153374 /nfs/dbraw/zinc/15/33/74/1064153374.db2.gz CYEFFLWUJYQEAY-MOPGFXCFSA-N 1 0 456.591 2.627 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001291617619 1064155032 /nfs/dbraw/zinc/15/50/32/1064155032.db2.gz BTGZLLRJSGCXMV-LJQANCHMSA-N 1 0 468.650 2.734 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291618652 1064155542 /nfs/dbraw/zinc/15/55/42/1064155542.db2.gz HSJQNZMSBZPFJX-HKUYNNGSSA-N 1 0 482.658 2.977 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291619337 1064157232 /nfs/dbraw/zinc/15/72/32/1064157232.db2.gz CIMJNQVQXLCJRY-NJYVYQBISA-N 1 0 461.699 2.758 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092042 1064163658 /nfs/dbraw/zinc/16/36/58/1064163658.db2.gz FMPGXYIYKRLFHL-FGZHOGPDSA-N 1 0 499.660 2.868 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001296092043 1064163676 /nfs/dbraw/zinc/16/36/76/1064163676.db2.gz FMPGXYIYKRLFHL-VXKWHMMOSA-N 1 0 499.660 2.868 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(C)c1C ZINC001296092656 1064165036 /nfs/dbraw/zinc/16/50/36/1064165036.db2.gz JFNXNQURJFTKKS-OAQYLSRUSA-N 1 0 481.645 2.967 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cccc(F)c3)C(=O)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291627058 1064168432 /nfs/dbraw/zinc/16/84/32/1064168432.db2.gz CKQZPDHKLANEFD-WOJBJXKFSA-N 1 0 472.609 2.748 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001296095393 1064168656 /nfs/dbraw/zinc/16/86/56/1064168656.db2.gz ITYDJXXUBMGUGN-WIYYLYMNSA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1C[C@@H](C)[NH+](CC)CC ZINC001291627765 1064169682 /nfs/dbraw/zinc/16/96/82/1064169682.db2.gz GAQGFDAEYSWLLV-RTBURBONSA-N 1 0 486.690 2.914 20 0 JFADRO CCN1CCCN(c2nnc(C(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC001296097410 1064170695 /nfs/dbraw/zinc/17/06/95/1064170695.db2.gz UJTMYLLYJYXHQL-OAQYLSRUSA-N 1 0 453.635 2.671 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001296098375 1064171799 /nfs/dbraw/zinc/17/17/99/1064171799.db2.gz XLGSAGGESTXRDY-UFYCRDLUSA-N 1 0 489.665 2.891 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291628832 1064172121 /nfs/dbraw/zinc/17/21/21/1064172121.db2.gz PMAKJFSEHBHAKR-BWKNWUBXSA-N 1 0 491.750 2.754 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](C1CC1)[NH+](C)C ZINC001291629018 1064172637 /nfs/dbraw/zinc/17/26/37/1064172637.db2.gz CKGNUDXLBZMXGR-DENIHFKCSA-N 1 0 459.683 2.703 20 0 JFADRO CCN1CCCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[N@@H+]2CCC[C@H]2C)CC1=O ZINC001296101994 1064177016 /nfs/dbraw/zinc/17/70/16/1064177016.db2.gz ACWUGJOMZHRFPY-GOSISDBHSA-N 1 0 486.617 2.514 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCCC[C@H]1CC ZINC001291631515 1064178734 /nfs/dbraw/zinc/17/87/34/1064178734.db2.gz WBUPZAXMFXNHDP-FGZHOGPDSA-N 1 0 459.683 2.801 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291633233 1064183106 /nfs/dbraw/zinc/18/31/06/1064183106.db2.gz SCCAUDKMKPQDPR-HSZRJFAPSA-N 1 0 481.689 2.962 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3cnc(C)s3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291638952 1064186535 /nfs/dbraw/zinc/18/65/35/1064186535.db2.gz OAVOVHUUABREOJ-GOSISDBHSA-N 1 0 461.680 2.726 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](OC)C(C)C ZINC001291639053 1064186833 /nfs/dbraw/zinc/18/68/33/1064186833.db2.gz LFXHMJMKPFFHBJ-FDFHNCONSA-N 1 0 450.672 2.694 20 0 JFADRO CCN1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CC1=O ZINC001296108720 1064187222 /nfs/dbraw/zinc/18/72/22/1064187222.db2.gz MIPJTTZSHSNYEG-QFIPXVFZSA-N 1 0 464.618 2.820 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1ccc(F)cn1 ZINC001291639558 1064187592 /nfs/dbraw/zinc/18/75/92/1064187592.db2.gz NLSJTUFCMBPNKG-DENIHFKCSA-N 1 0 459.614 2.605 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN(Cc3nc(COC)no3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291639732 1064187997 /nfs/dbraw/zinc/18/79/97/1064187997.db2.gz OLKBAWSRNMINQW-UXHICEINSA-N 1 0 474.654 2.764 20 0 JFADRO CC[C@H](C)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001291640230 1064188968 /nfs/dbraw/zinc/18/89/68/1064188968.db2.gz UIEHGMMYBCXCDG-TUNNFDKTSA-N 1 0 474.675 2.926 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001291641552 1064190904 /nfs/dbraw/zinc/19/09/04/1064190904.db2.gz CVUBNDXLAILVIX-QGZVFWFLSA-N 1 0 453.616 2.760 20 0 JFADRO CCN1CCCN(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)C(C)C)CC1=O ZINC001296111427 1064191324 /nfs/dbraw/zinc/19/13/24/1064191324.db2.gz MNZCYWVMGUNLHA-FQEVSTJZSA-N 1 0 491.681 2.791 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1CCCc1cnn(C)n1 ZINC001291641699 1064191400 /nfs/dbraw/zinc/19/14/00/1064191400.db2.gz DLLYULMSZMTXOP-ACRUOGEOSA-N 1 0 457.671 2.548 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCNC(=O)c1ccco1 ZINC001291641958 1064191746 /nfs/dbraw/zinc/19/17/46/1064191746.db2.gz GYYWALHHGGQKEJ-PCCBWWKXSA-N 1 0 471.650 2.809 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccncc3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001296111710 1064192245 /nfs/dbraw/zinc/19/22/45/1064192245.db2.gz DNUXZDULUDSFAY-FQEVSTJZSA-N 1 0 453.635 2.833 20 0 JFADRO CCN1CCCN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCCCCC2)CC1=O ZINC001296112736 1064194138 /nfs/dbraw/zinc/19/41/38/1064194138.db2.gz NJLDRUMEZUMOSR-UHFFFAOYSA-N 1 0 454.619 2.812 20 0 JFADRO CCN1CCCN(c2nnc(CCc3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001296116158 1064196339 /nfs/dbraw/zinc/19/63/39/1064196339.db2.gz BGHSCESLOSILHU-SZPZYZBQSA-N 1 0 468.646 2.621 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001291649653 1064202791 /nfs/dbraw/zinc/20/27/91/1064202791.db2.gz OBPMISPOALNLIU-HZPDHXFCSA-N 1 0 455.529 2.995 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291649900 1064203067 /nfs/dbraw/zinc/20/30/67/1064203067.db2.gz JRJXNWIGUWIMOG-BHDDXSALSA-N 1 0 475.682 2.875 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3C[C@H]3CCC[N@@H+]3CC)CC2)CC1 ZINC001296119487 1064204775 /nfs/dbraw/zinc/20/47/75/1064204775.db2.gz VLXXEHMRFQSLKO-JOCHJYFZSA-N 1 0 459.683 2.656 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001296119527 1064205159 /nfs/dbraw/zinc/20/51/59/1064205159.db2.gz VZKHWIVTBCSZQJ-SFHVURJKSA-N 1 0 459.664 2.546 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001296119553 1064205453 /nfs/dbraw/zinc/20/54/53/1064205453.db2.gz WIXRQZFUYJHVJP-YADHBBJMSA-N 1 0 497.688 2.616 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001296119551 1064205483 /nfs/dbraw/zinc/20/54/83/1064205483.db2.gz WIXRQZFUYJHVJP-FGZHOGPDSA-N 1 0 497.688 2.616 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001291652178 1064205499 /nfs/dbraw/zinc/20/54/99/1064205499.db2.gz RIQQOAZCKOQIMZ-TZIWHRDSSA-N 1 0 467.618 2.786 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296119850 1064206304 /nfs/dbraw/zinc/20/63/04/1064206304.db2.gz BQUJEYTZECZUPF-MSOLQXFVSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296119854 1064206625 /nfs/dbraw/zinc/20/66/25/1064206625.db2.gz BQUJEYTZECZUPF-ROUUACIJSA-N 1 0 477.451 2.959 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)Cc2ccon2)CC1 ZINC001296120101 1064207864 /nfs/dbraw/zinc/20/78/64/1064207864.db2.gz DRUFOSKHUNXFPW-INIZCTEOSA-N 1 0 491.438 2.697 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001296120119 1064208182 /nfs/dbraw/zinc/20/81/82/1064208182.db2.gz FDPFJNAHVSPNBC-VQTJNVASSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296120254 1064209023 /nfs/dbraw/zinc/20/90/23/1064209023.db2.gz GUPZWNSZTZVUTG-SFHVURJKSA-N 1 0 472.613 2.542 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001296120233 1064209080 /nfs/dbraw/zinc/20/90/80/1064209080.db2.gz GJRLNVDAUJTJAH-WOJBJXKFSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001296120377 1064209336 /nfs/dbraw/zinc/20/93/36/1064209336.db2.gz IHQDWRANOVPOTE-JOCHJYFZSA-N 1 0 467.662 2.780 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001296120522 1064210172 /nfs/dbraw/zinc/21/01/72/1064210172.db2.gz IZIHEAPIPNRVIM-ZWKOTPCHSA-N 1 0 477.604 2.918 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N(CCS(C)(=O)=O)C2CC2)CC1 ZINC001296120780 1064210935 /nfs/dbraw/zinc/21/09/35/1064210935.db2.gz KVPHESLOTCTGFN-SFHVURJKSA-N 1 0 495.093 2.638 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC001296120710 1064211064 /nfs/dbraw/zinc/21/10/64/1064211064.db2.gz KJAVTSPQGQTRSN-BWKNWUBXSA-N 1 0 457.667 2.769 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001296121257 1064212300 /nfs/dbraw/zinc/21/23/00/1064212300.db2.gz NJHDGHNBSWDBPY-SLFFLAALSA-N 1 0 454.623 2.576 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC001296121519 1064212624 /nfs/dbraw/zinc/21/26/24/1064212624.db2.gz PHRALWJEVPADTB-IBGZPJMESA-N 1 0 461.058 2.803 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001291672640 1064214496 /nfs/dbraw/zinc/21/44/96/1064214496.db2.gz RLSZFSYFFFPSQF-AJSBUHFISA-N 1 0 454.619 2.970 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001296122879 1064215412 /nfs/dbraw/zinc/21/54/12/1064215412.db2.gz ZODLHUPJDWMKQS-WOJBJXKFSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(C)nc4ccccc43)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001296122893 1064215797 /nfs/dbraw/zinc/21/57/97/1064215797.db2.gz ZVXRMMPBXQMZEZ-UXHICEINSA-N 1 0 478.645 2.528 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291679980 1064216252 /nfs/dbraw/zinc/21/62/52/1064216252.db2.gz BXPSYUPHPTVQPW-WOJBJXKFSA-N 1 0 478.707 2.837 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001296124803 1064217428 /nfs/dbraw/zinc/21/74/28/1064217428.db2.gz JDFYGJZAXQNPMJ-VQTJNVASSA-N 1 0 486.661 2.992 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCc2cnccn2)CC1 ZINC001296124564 1064217526 /nfs/dbraw/zinc/21/75/26/1064217526.db2.gz IHOJCYVXDGDTAH-LJQANCHMSA-N 1 0 452.582 2.579 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296125299 1064218650 /nfs/dbraw/zinc/21/86/50/1064218650.db2.gz LUCNMUNAFYDOBO-RTBURBONSA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296125566 1064219246 /nfs/dbraw/zinc/21/92/46/1064219246.db2.gz MTZRCSHKVUREES-SFHVURJKSA-N 1 0 453.591 2.913 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](COC)C2)CC1 ZINC001296126073 1064219966 /nfs/dbraw/zinc/21/99/66/1064219966.db2.gz PESCVULLQVOMRF-NHCUHLMSSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001296127618 1064221657 /nfs/dbraw/zinc/22/16/57/1064221657.db2.gz VODMVGSCBQAWCP-KRWDZBQOSA-N 1 0 494.015 2.652 20 0 JFADRO CC[C@H](C)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291704664 1064222312 /nfs/dbraw/zinc/22/23/12/1064222312.db2.gz OBVFUTSISIODEQ-IBGZPJMESA-N 1 0 476.691 2.857 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001296129598 1064222840 /nfs/dbraw/zinc/22/28/40/1064222840.db2.gz AWQIGCTWUGXVNN-QZTJIDSGSA-N 1 0 465.046 2.569 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[NH+]1CCSCC1 ZINC001291706074 1064223176 /nfs/dbraw/zinc/22/31/76/1064223176.db2.gz YSNMPKFMPCKVBD-GOSISDBHSA-N 1 0 480.704 2.727 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296129853 1064223173 /nfs/dbraw/zinc/22/31/73/1064223173.db2.gz BZNVUJPIVSYGSX-IFMALSPDSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N(C)CC(C)C)CC1 ZINC001296131440 1064225881 /nfs/dbraw/zinc/22/58/81/1064225881.db2.gz KQLOVDNSUQPFKG-SFTDATJTSA-N 1 0 493.697 2.705 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@@H]2CCCOC2)CC1 ZINC001296131799 1064227454 /nfs/dbraw/zinc/22/74/54/1064227454.db2.gz NKZGRKZVXNHHRN-QUCCMNQESA-N 1 0 461.680 2.523 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001296131913 1064227563 /nfs/dbraw/zinc/22/75/63/1064227563.db2.gz NAZGQJGAFHXTEQ-AQNXPRMDSA-N 1 0 488.599 2.746 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296132244 1064228818 /nfs/dbraw/zinc/22/88/18/1064228818.db2.gz AAQWDLWRWQZXBR-LVXARBLLSA-N 1 0 486.661 2.897 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(N(C)C[C@H](C)C(=O)NC)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001296132583 1064230699 /nfs/dbraw/zinc/23/06/99/1064230699.db2.gz BRRZUPZOBFSKFK-VXKWHMMOSA-N 1 0 481.689 2.592 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296132869 1064232316 /nfs/dbraw/zinc/23/23/16/1064232316.db2.gz XDFYJIYBJAKCGP-GBESFXJTSA-N 1 0 462.589 2.787 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296133007 1064232650 /nfs/dbraw/zinc/23/26/50/1064232650.db2.gz SGJJUQYUVBUJNV-IBGZPJMESA-N 1 0 453.635 2.568 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296133356 1064233467 /nfs/dbraw/zinc/23/34/67/1064233467.db2.gz TVOKQEGBWGJKPR-PMACEKPBSA-N 1 0 475.682 2.923 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCOC[C@H]2C)CC1 ZINC001296133582 1064233998 /nfs/dbraw/zinc/23/39/98/1064233998.db2.gz JBPJPTNZABPUDU-RTBURBONSA-N 1 0 463.026 2.762 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC001291751478 1064234827 /nfs/dbraw/zinc/23/48/27/1064234827.db2.gz DZKATAASRUTAKL-SFHVURJKSA-N 1 0 499.660 2.853 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001296133884 1064234852 /nfs/dbraw/zinc/23/48/52/1064234852.db2.gz LFUIVPHROTZRNH-XZOQPEGZSA-N 1 0 470.662 2.973 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001296134428 1064236166 /nfs/dbraw/zinc/23/61/66/1064236166.db2.gz OZZDUPWEXLIORH-VXKWHMMOSA-N 1 0 470.662 2.929 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001296134782 1064236623 /nfs/dbraw/zinc/23/66/23/1064236623.db2.gz QIUPWIZVEXXFRY-FCHUYYIVSA-N 1 0 456.635 2.807 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296134832 1064237057 /nfs/dbraw/zinc/23/70/57/1064237057.db2.gz RATWMNQJDPXHJE-NRFANRHFSA-N 1 0 473.710 2.732 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296134940 1064237968 /nfs/dbraw/zinc/23/79/68/1064237968.db2.gz TUHQUROUDRTMRG-RDGATRHJSA-N 1 0 472.682 2.561 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001291758612 1064238447 /nfs/dbraw/zinc/23/84/47/1064238447.db2.gz ASWNTNMETHHPDQ-QUCCMNQESA-N 1 0 469.590 2.518 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291758816 1064238894 /nfs/dbraw/zinc/23/88/94/1064238894.db2.gz BMORPKLOKFVOQT-KRWDZBQOSA-N 1 0 493.450 2.733 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(Br)c2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001291758817 1064238911 /nfs/dbraw/zinc/23/89/11/1064238911.db2.gz BMORPKLOKFVOQT-QGZVFWFLSA-N 1 0 493.450 2.733 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001291759039 1064239296 /nfs/dbraw/zinc/23/92/96/1064239296.db2.gz DIGNHWVVKJXQKM-AABGKKOBSA-N 1 0 491.681 2.982 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291759089 1064239317 /nfs/dbraw/zinc/23/93/17/1064239317.db2.gz CKJCLTBAIWCHSE-KRWDZBQOSA-N 1 0 472.590 2.771 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(N3CCC(OCCCOC)CC3)nnc2C(C)(C)C)CC1 ZINC001296135481 1064239704 /nfs/dbraw/zinc/23/97/04/1064239704.db2.gz ZGDNZQLOWZQENS-HXUWFJFHSA-N 1 0 450.672 2.624 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296135725 1064240128 /nfs/dbraw/zinc/24/01/28/1064240128.db2.gz ADMTXKCZSQGAFX-SSTJLMRISA-N 1 0 484.636 2.756 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001291759750 1064240523 /nfs/dbraw/zinc/24/05/23/1064240523.db2.gz JXGUBZUPLMHAQO-QYZOEREBSA-N 1 0 496.653 2.758 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001291760012 1064240853 /nfs/dbraw/zinc/24/08/53/1064240853.db2.gz MNOIKDPYEPMSPU-QUCCMNQESA-N 1 0 455.607 2.909 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4cccnc4)nnc3N(C)CC(F)(F)F)cn2)CC1 ZINC001296136802 1064242765 /nfs/dbraw/zinc/24/27/65/1064242765.db2.gz LKMIBBUBIJTMRX-UHFFFAOYSA-N 1 0 474.535 2.848 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCO[C@@H](C(F)(F)F)C3)cn2)CC1 ZINC001296137427 1064243147 /nfs/dbraw/zinc/24/31/47/1064243147.db2.gz OHYBBDWBZSILEL-GOSISDBHSA-N 1 0 467.540 2.754 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001296137445 1064243288 /nfs/dbraw/zinc/24/32/88/1064243288.db2.gz OQSLYMODFXXJAF-RBUKOAKNSA-N 1 0 489.665 2.736 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001291762228 1064243397 /nfs/dbraw/zinc/24/33/97/1064243397.db2.gz XGRFWDHYHGVARN-LJQANCHMSA-N 1 0 467.618 2.689 20 0 JFADRO CC[NH+]1CCN(c2ccc(Cn3c(-c4cnn(C)c4)nnc3N(C)CCOC(C)(C)C)cn2)CC1 ZINC001296137826 1064244335 /nfs/dbraw/zinc/24/43/35/1064244335.db2.gz QUKQLOMGEYNDGT-UHFFFAOYSA-N 1 0 481.649 2.515 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001296139033 1064246006 /nfs/dbraw/zinc/24/60/06/1064246006.db2.gz ZTTSGQTVQJXNTQ-CMOCDZPBSA-N 1 0 480.723 2.606 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001296140990 1064246537 /nfs/dbraw/zinc/24/65/37/1064246537.db2.gz AYPABOKSOKCSLH-WIYYLYMNSA-N 1 0 476.588 2.733 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2ccc(OC)cc2)C[C@H]1C ZINC001296141180 1064247093 /nfs/dbraw/zinc/24/70/93/1064247093.db2.gz BGSXTTXBSNMFLX-CJFMBICVSA-N 1 0 473.618 2.937 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001296142315 1064249057 /nfs/dbraw/zinc/24/90/57/1064249057.db2.gz DDADFWDIWIBTAI-SJLPKXTDSA-N 1 0 464.561 2.947 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001296142624 1064249967 /nfs/dbraw/zinc/24/99/67/1064249967.db2.gz DUVVTTJXXCYZLK-QZTJIDSGSA-N 1 0 489.024 2.776 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCCn2cc(CO)nn2)C[C@@H]1C ZINC001296142625 1064250092 /nfs/dbraw/zinc/25/00/92/1064250092.db2.gz DUVVTTJXXCYZLK-ROUUACIJSA-N 1 0 489.024 2.776 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001291767948 1064250340 /nfs/dbraw/zinc/25/03/40/1064250340.db2.gz PJWNQHURDOIBOG-JOCHJYFZSA-N 1 0 497.688 2.819 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2Br)nnc1N1CCS(=O)(=O)CC1 ZINC001291768512 1064250621 /nfs/dbraw/zinc/25/06/21/1064250621.db2.gz XAVCXDSLNVRJOP-HNNXBMFYSA-N 1 0 470.437 2.673 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCN2CCCCCC2=O)C[C@@H]1C ZINC001296142730 1064251047 /nfs/dbraw/zinc/25/10/47/1064251047.db2.gz MSSOYWCCVZAHSB-OFVILXPXSA-N 1 0 476.666 2.642 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2c[nH]c3ccccc32)nnc1N1CCC(OCC(N)=O)CC1 ZINC001291770987 1064252520 /nfs/dbraw/zinc/25/25/20/1064252520.db2.gz BMOOWRRBWPPRCH-KRWDZBQOSA-N 1 0 453.591 2.627 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@@](C)(O)CCOC)C[C@@H]1C ZINC001296143444 1064252993 /nfs/dbraw/zinc/25/29/93/1064252993.db2.gz QEZKRNBALHJVPF-UUOWRZLLSA-N 1 0 453.591 2.653 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291771400 1064253825 /nfs/dbraw/zinc/25/38/25/1064253825.db2.gz DOWWTBWVFJGBDF-OALUTQOASA-N 1 0 494.644 2.633 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001291771399 1064253940 /nfs/dbraw/zinc/25/39/40/1064253940.db2.gz DOWWTBWVFJGBDF-MOPGFXCFSA-N 1 0 494.644 2.633 20 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CC[C@H](C)NC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001291794645 1064296721 /nfs/dbraw/zinc/29/67/21/1064296721.db2.gz VATUACPRXUAXFI-VWNVYAMZSA-N 1 0 481.645 2.725 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291794871 1064297228 /nfs/dbraw/zinc/29/72/28/1064297228.db2.gz UTIJJVLZHQCXMO-GOSISDBHSA-N 1 0 490.052 2.697 20 0 JFADRO CCn1cccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)c1=O ZINC001296173711 1064297787 /nfs/dbraw/zinc/29/77/87/1064297787.db2.gz KOZPBHKOQSPRPK-GOSISDBHSA-N 1 0 454.550 2.757 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(Cl)s3)C2)CC1 ZINC001296173841 1064298980 /nfs/dbraw/zinc/29/89/80/1064298980.db2.gz LWLXKPUEHFVWNQ-KRWDZBQOSA-N 1 0 480.082 2.590 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296174205 1064300698 /nfs/dbraw/zinc/30/06/98/1064300698.db2.gz OJVLUBOLHPVXBZ-RBBKRZOGSA-N 1 0 474.625 2.883 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291796017 1064302288 /nfs/dbraw/zinc/30/22/88/1064302288.db2.gz IRIXMCWVNVZAKG-JTHBVZDNSA-N 1 0 497.688 2.863 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001296175289 1064304233 /nfs/dbraw/zinc/30/42/33/1064304233.db2.gz WLALWWWMCXQBLY-LJQANCHMSA-N 1 0 470.647 2.583 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2conc2COC)C[C@H]1C ZINC001296175582 1064304400 /nfs/dbraw/zinc/30/44/00/1064304400.db2.gz XJXUZCWGLONGDF-QGZVFWFLSA-N 1 0 456.547 2.579 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001296175540 1064304582 /nfs/dbraw/zinc/30/45/82/1064304582.db2.gz XCNBQIUEHLYLTM-NJYVYQBISA-N 1 0 491.681 2.601 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001291796651 1064305265 /nfs/dbraw/zinc/30/52/65/1064305265.db2.gz LJEDENJXUKPNCD-QUCCMNQESA-N 1 0 470.618 2.942 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291797560 1064307189 /nfs/dbraw/zinc/30/71/89/1064307189.db2.gz XUCQXXJQXIQYBX-IFMALSPDSA-N 1 0 481.645 2.530 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCCOC)C2)CC1 ZINC001296179493 1064308771 /nfs/dbraw/zinc/30/87/71/1064308771.db2.gz HKUZWQZEIKMIEA-LJQANCHMSA-N 1 0 481.016 2.617 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001291798097 1064308956 /nfs/dbraw/zinc/30/89/56/1064308956.db2.gz SOLGGUBYAXJZMC-HNNXBMFYSA-N 1 0 478.439 2.873 20 0 JFADRO CCN1CCN(C2CCN(c3nnc([C@@H]4CCCOC4)n3CCC[N@H+](C)C(C)C)CC2)C1=O ZINC001296180293 1064311407 /nfs/dbraw/zinc/31/14/07/1064311407.db2.gz MVCNVSPZKKHOQW-HXUWFJFHSA-N 1 0 461.655 2.629 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CCOC(C)(C)C)C2)CC1 ZINC001296180523 1064311542 /nfs/dbraw/zinc/31/15/42/1064311542.db2.gz NUOHPDIEBKCSQC-NRFANRHFSA-N 1 0 456.635 2.985 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001291802850 1064313404 /nfs/dbraw/zinc/31/34/04/1064313404.db2.gz GNHANKJLCKWLLQ-ICSRJNTNSA-N 1 0 489.068 2.515 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCNC(=O)c3cccs3)C2)CC1 ZINC001296181394 1064314732 /nfs/dbraw/zinc/31/47/32/1064314732.db2.gz WJHIYLPMFUEJBJ-LJQANCHMSA-N 1 0 473.691 2.574 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@](C)(O)CC)C2)CC1 ZINC001296181765 1064317772 /nfs/dbraw/zinc/31/77/72/1064317772.db2.gz CEYHXTLZTBEAPT-OFVILXPXSA-N 1 0 456.635 2.543 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CCNC(=O)C(C)(C)C)C2)CC1 ZINC001296182147 1064321856 /nfs/dbraw/zinc/32/18/56/1064321856.db2.gz NSQDOWUAMBADPB-XMMPIXPASA-N 1 0 495.716 2.832 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(CCc4ccccc4)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001296182362 1064323067 /nfs/dbraw/zinc/32/30/67/1064323067.db2.gz QSDAIWYBLOLOHC-ZEQKJWHPSA-N 1 0 454.663 2.687 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(F)(F)F)C2)CC1 ZINC001296182390 1064323350 /nfs/dbraw/zinc/32/33/50/1064323350.db2.gz RQYSYMMRSHFMJI-GOSISDBHSA-N 1 0 452.525 2.944 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001291806044 1064326362 /nfs/dbraw/zinc/32/63/62/1064326362.db2.gz YRFAFVDLSVZWDT-KSZLIROESA-N 1 0 456.591 2.898 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001296183807 1064329804 /nfs/dbraw/zinc/32/98/04/1064329804.db2.gz GHZRGAXCAGADIE-UXHICEINSA-N 1 0 477.698 2.990 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296183859 1064330225 /nfs/dbraw/zinc/33/02/25/1064330225.db2.gz HHKFMABKQMQDAC-LJQANCHMSA-N 1 0 476.069 2.833 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296184992 1064333003 /nfs/dbraw/zinc/33/30/03/1064333003.db2.gz NDANNLZCMZZUGZ-JOCHJYFZSA-N 1 0 497.688 2.532 20 0 JFADRO CCn1cc(CN(C)c2nnc(-c3ccc(C)o3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)cn1 ZINC001296185680 1064333460 /nfs/dbraw/zinc/33/34/60/1064333460.db2.gz QNQAZHLYKWEBMU-IBGZPJMESA-N 1 0 454.623 2.973 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001296190837 1064340515 /nfs/dbraw/zinc/34/05/15/1064340515.db2.gz GCDINCBXVIBEAZ-DHIUTWEWSA-N 1 0 454.663 2.952 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291812973 1064340922 /nfs/dbraw/zinc/34/09/22/1064340922.db2.gz SJQFQXKDBYXAMD-AWRGLXIESA-N 1 0 495.672 2.629 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC(C)(OC)C2)CC1 ZINC001296191181 1064341306 /nfs/dbraw/zinc/34/13/06/1064341306.db2.gz IBHWZMCBKKGPPB-GOSISDBHSA-N 1 0 462.589 2.646 20 0 JFADRO COc1ccccc1[C@@H](CNC(=O)c1[nH]ncc1I)[NH+]1CCCCC1 ZINC001291814301 1064342758 /nfs/dbraw/zinc/34/27/58/1064342758.db2.gz GHUSDHSSAMHTCR-OAHLLOKOSA-N 1 0 454.312 2.980 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296192187 1064344627 /nfs/dbraw/zinc/34/46/27/1064344627.db2.gz DLRUUYHKLDZNEE-PKOBYXMFSA-N 1 0 458.573 2.977 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)CC1 ZINC001296192362 1064344801 /nfs/dbraw/zinc/34/48/01/1064344801.db2.gz DKJUZFJDJJIFCV-FQEVSTJZSA-N 1 0 481.636 2.706 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193151 1064348663 /nfs/dbraw/zinc/34/86/63/1064348663.db2.gz HQCRARZZSUJHMY-CTNGQTDRSA-N 1 0 475.682 2.923 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001296193408 1064351137 /nfs/dbraw/zinc/35/11/37/1064351137.db2.gz PDROLAUYWKMQQB-HKUYNNGSSA-N 1 0 486.608 2.972 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC3CC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296193706 1064351199 /nfs/dbraw/zinc/35/11/99/1064351199.db2.gz PEGUDNNKFUMLNZ-IRLDBZIGSA-N 1 0 489.709 2.998 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(OC)c2)CC1 ZINC001296193647 1064351623 /nfs/dbraw/zinc/35/16/23/1064351623.db2.gz KCKRCITWOSFEIG-FQEVSTJZSA-N 1 0 464.618 2.654 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001296193766 1064353233 /nfs/dbraw/zinc/35/32/33/1064353233.db2.gz QCZHXQSVHGJWQN-OFVILXPXSA-N 1 0 455.651 2.543 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001296194082 1064354065 /nfs/dbraw/zinc/35/40/65/1064354065.db2.gz LIDSLLFRDKGZOM-JOCHJYFZSA-N 1 0 467.662 2.523 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296195332 1064360314 /nfs/dbraw/zinc/36/03/14/1064360314.db2.gz OTBBKGBCJFBJPI-QTZVNIFKSA-N 1 0 492.709 2.671 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195331 1064360357 /nfs/dbraw/zinc/36/03/57/1064360357.db2.gz OTBBKGBCJFBJPI-KSZLKVKMSA-N 1 0 492.709 2.671 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001296195735 1064363443 /nfs/dbraw/zinc/36/34/43/1064363443.db2.gz QXKMZDZMRPVQGG-ZWKOTPCHSA-N 1 0 466.556 2.787 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296196106 1064364733 /nfs/dbraw/zinc/36/47/33/1064364733.db2.gz XHAQSBNCWDBTHK-IFMALSPDSA-N 1 0 457.692 2.869 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001296196112 1064364865 /nfs/dbraw/zinc/36/48/65/1064364865.db2.gz XHAQSBNCWDBTHK-UNMCSNQZSA-N 1 0 457.692 2.869 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](C(F)(F)F)C2)CC1 ZINC001296196098 1064364907 /nfs/dbraw/zinc/36/49/07/1064364907.db2.gz XCZUZDUEXNWSDH-ZJOUEHCJSA-N 1 0 495.594 2.694 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001296196151 1064365563 /nfs/dbraw/zinc/36/55/63/1064365563.db2.gz XMEJNRLTNVWGFQ-FYYLOGMGSA-N 1 0 469.678 2.789 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001291822760 1064365957 /nfs/dbraw/zinc/36/59/57/1064365957.db2.gz NQFMOAYGQGTHPM-RBUKOAKNSA-N 1 0 487.674 2.639 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196369 1064366360 /nfs/dbraw/zinc/36/63/60/1064366360.db2.gz SBIYNAURZJDMHW-UGKGYDQZSA-N 1 0 471.698 2.899 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@H](n4nc(C)nc4C)C3)nnc2C(C)(C)C)CC1 ZINC001296196367 1064366570 /nfs/dbraw/zinc/36/65/70/1064366570.db2.gz SBIYNAURZJDMHW-KNQAVFIVSA-N 1 0 471.698 2.899 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001296196503 1064367199 /nfs/dbraw/zinc/36/71/99/1064367199.db2.gz UDVYINJFELCEPK-OALUTQOASA-N 1 0 474.053 2.539 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Nc3ccn(C)n3)nnc2-c2cc(Br)c[nH]2)CC1 ZINC001296196402 1064367500 /nfs/dbraw/zinc/36/75/00/1064367500.db2.gz SZPKSPWOZITTGZ-HNNXBMFYSA-N 1 0 476.427 2.786 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2cscn2)CC1 ZINC001296196692 1064369559 /nfs/dbraw/zinc/36/95/59/1064369559.db2.gz ZCOUNMMSCQXKSJ-LJQANCHMSA-N 1 0 454.648 2.630 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001296196740 1064369762 /nfs/dbraw/zinc/36/97/62/1064369762.db2.gz ZUQZWJSIMAXYLF-JOCHJYFZSA-N 1 0 482.673 2.726 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001296196939 1064370276 /nfs/dbraw/zinc/37/02/76/1064370276.db2.gz WDFBTOIVZZJXNJ-DHIUTWEWSA-N 1 0 498.672 2.829 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CC3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC001296196990 1064371131 /nfs/dbraw/zinc/37/11/31/1064371131.db2.gz XNKBHIKPUKNKEP-UXHICEINSA-N 1 0 475.682 2.875 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001296197454 1064374095 /nfs/dbraw/zinc/37/40/95/1064374095.db2.gz WBJGQAMKSGIFSL-HXUWFJFHSA-N 1 0 474.053 2.718 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296201739 1064375814 /nfs/dbraw/zinc/37/58/14/1064375814.db2.gz ABXBWFWQEHYJAS-UHFFFAOYSA-N 1 0 473.632 2.969 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001296202567 1064378642 /nfs/dbraw/zinc/37/86/42/1064378642.db2.gz FXVWPWMLLVNQJI-KDURUIRLSA-N 1 0 490.603 2.681 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)CC1 ZINC001296203028 1064379276 /nfs/dbraw/zinc/37/92/76/1064379276.db2.gz GZKZNHBGIXHNGJ-NRFANRHFSA-N 1 0 464.561 2.793 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001296203540 1064381191 /nfs/dbraw/zinc/38/11/91/1064381191.db2.gz AWHLSKHUWRJVFQ-FPOVZHCZSA-N 1 0 492.665 2.544 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C3CCC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001296203399 1064381313 /nfs/dbraw/zinc/38/13/13/1064381313.db2.gz MHEQZDXRJGHFCN-UHFFFAOYSA-N 1 0 459.683 2.658 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001296203760 1064382810 /nfs/dbraw/zinc/38/28/10/1064382810.db2.gz PAKJQLHVRVURME-HXUWFJFHSA-N 1 0 463.671 2.875 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C)nnc2N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001296203749 1064382949 /nfs/dbraw/zinc/38/29/49/1064382949.db2.gz OTCMEOLLMJGYLR-CBQGHPETSA-N 1 0 475.682 2.981 20 0 JFADRO CCN1CC[NH+](CCCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001296203784 1064383533 /nfs/dbraw/zinc/38/35/33/1064383533.db2.gz OEJXEUKQEYXSSI-UHFFFAOYSA-N 1 0 497.688 2.560 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCCOCC2)CC1 ZINC001296204048 1064384957 /nfs/dbraw/zinc/38/49/57/1064384957.db2.gz QEWWIJVCFCEUPI-HXUWFJFHSA-N 1 0 460.598 2.812 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001296204243 1064385731 /nfs/dbraw/zinc/38/57/31/1064385731.db2.gz IXMCRPZBFGEPOS-FGZHOGPDSA-N 1 0 462.683 2.984 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC=CCC2)CC1 ZINC001296204620 1064387104 /nfs/dbraw/zinc/38/71/04/1064387104.db2.gz XZPSDJSMBAHSNK-UHFFFAOYSA-N 1 0 472.037 2.655 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001296204772 1064387782 /nfs/dbraw/zinc/38/77/82/1064387782.db2.gz WNPJFLPUAGKXES-JOCHJYFZSA-N 1 0 461.699 2.637 20 0 JFADRO CCN1CC[NH+](CCCCn2c(Cc3ccncc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001296205215 1064389992 /nfs/dbraw/zinc/38/99/92/1064389992.db2.gz YRVXCWWDULNNDS-NRFANRHFSA-N 1 0 455.651 2.685 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(OC)c3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001296205877 1064392725 /nfs/dbraw/zinc/39/27/25/1064392725.db2.gz DTFRFBMFOQRWOG-QHCPKHFHSA-N 1 0 456.635 2.843 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3OC)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001296206205 1064393464 /nfs/dbraw/zinc/39/34/64/1064393464.db2.gz JPQRBAVJOSIZCV-UHFFFAOYSA-N 1 0 497.688 2.676 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001296206272 1064393915 /nfs/dbraw/zinc/39/39/15/1064393915.db2.gz LQPNCOXUUNOZNT-QFIPXVFZSA-N 1 0 474.053 2.731 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001296206331 1064394875 /nfs/dbraw/zinc/39/48/75/1064394875.db2.gz NLNFHIURNPVWLU-AREMUKBSSA-N 1 0 486.661 2.995 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CCc3ccccc3)nnc2N2CC[C@H](C)[C@H](OC)C2)CC1 ZINC001296211303 1064401976 /nfs/dbraw/zinc/40/19/76/1064401976.db2.gz MFMWQTVDVQTIGX-LADGPHEKSA-N 1 0 454.663 2.952 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001291833730 1064405013 /nfs/dbraw/zinc/40/50/13/1064405013.db2.gz OLYWBXDAZITNKF-PZJWPPBQSA-N 1 0 492.672 2.789 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001296213299 1064408124 /nfs/dbraw/zinc/40/81/24/1064408124.db2.gz GVBUEBILJOPMHI-UHFFFAOYSA-N 1 0 497.134 2.820 20 0 JFADRO CC[NH+]1CCN(CCCn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc([S@@](C)=O)cc2)CC1 ZINC001296216028 1064421577 /nfs/dbraw/zinc/42/15/77/1064421577.db2.gz YUYOTRDOGPWQIA-DHYKOVJISA-N 1 0 474.675 2.531 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@H](C)C3)n2CC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296216564 1064424428 /nfs/dbraw/zinc/42/44/28/1064424428.db2.gz PNIUPMJGVUROGZ-QZTJIDSGSA-N 1 0 485.658 2.583 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)CC[C@H]3C)n2CC[N@H+](C)CCOC)c2ccccc2c1=O ZINC001296216755 1064424927 /nfs/dbraw/zinc/42/49/27/1064424927.db2.gz SAMBWUBRILYZKK-RTBURBONSA-N 1 0 467.618 2.878 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001291838766 1064427255 /nfs/dbraw/zinc/42/72/55/1064427255.db2.gz FEHIOISVGBCCMN-QFIPXVFZSA-N 1 0 481.689 2.698 20 0 JFADRO CC[C@@H](c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC001291845844 1064452513 /nfs/dbraw/zinc/45/25/13/1064452513.db2.gz CHXNCIDIFDMIMB-WZONZLPQSA-N 1 0 458.010 2.910 20 0 JFADRO CC[C@@H](c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC001291845920 1064453595 /nfs/dbraw/zinc/45/35/95/1064453595.db2.gz UHBOFIVVVRKFQP-YMPZKCBVSA-N 1 0 489.686 2.944 20 0 JFADRO CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC001291851696 1064458213 /nfs/dbraw/zinc/45/82/13/1064458213.db2.gz UAPVMKOJHCAZNN-DHLKQENFSA-N 1 0 482.673 2.971 20 0 JFADRO CC[C@@H](c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001291856946 1064464453 /nfs/dbraw/zinc/46/44/53/1064464453.db2.gz JZKJDMKWQNQKJD-YYTDSSBASA-N 1 0 468.646 2.986 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCOCCS(C)(=O)=O)c1ccccc1 ZINC001291859015 1064468377 /nfs/dbraw/zinc/46/83/77/1064468377.db2.gz DUTJDKAYBCOUCH-KSEOMHKRSA-N 1 0 475.659 2.554 20 0 JFADRO CC[C@@H](c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCOCC[NH+](C)C)c1ccccc1 ZINC001291862161 1064471522 /nfs/dbraw/zinc/47/15/22/1064471522.db2.gz VXBVDYHZVMSCKE-NIRIFSCTSA-N 1 0 457.619 2.782 20 0 JFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233085 1064474423 /nfs/dbraw/zinc/47/44/23/1064474423.db2.gz ZNRTWMQHJJJZRQ-LHCZNTOESA-N 1 0 452.599 2.559 20 0 JFADRO CC[C@@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](C)N1CCOCC1)c1ccccc1 ZINC001291870415 1064482864 /nfs/dbraw/zinc/48/28/64/1064482864.db2.gz VFRZKFVNASPIGI-GBXCKJPGSA-N 1 0 468.646 2.893 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001296239436 1064485849 /nfs/dbraw/zinc/48/58/49/1064485849.db2.gz JDWKQSTZXBFYFI-NNWRFLSQSA-N 1 0 495.672 2.881 20 0 JFADRO CC[C@@H](c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCN1CCCS1(=O)=O)c1ccccc1 ZINC001291875916 1064494763 /nfs/dbraw/zinc/49/47/63/1064494763.db2.gz YBJZUXXWCOPCIW-JOCHJYFZSA-N 1 0 474.675 2.822 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291878077 1064499018 /nfs/dbraw/zinc/49/90/18/1064499018.db2.gz VUSXFGJBQVKNAX-LEWJYISDSA-N 1 0 454.619 2.633 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001296243012 1064504052 /nfs/dbraw/zinc/50/40/52/1064504052.db2.gz WGGQXQUVCLUUDI-UHFFFAOYSA-N 1 0 453.635 2.881 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)OC)CC2)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291887534 1064508992 /nfs/dbraw/zinc/50/89/92/1064508992.db2.gz LILRDKPTRNJXDD-JOCHJYFZSA-N 1 0 484.645 2.944 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001296250357 1064513267 /nfs/dbraw/zinc/51/32/67/1064513267.db2.gz XCSNOFXJTFJATF-UHFFFAOYSA-N 1 0 470.618 2.703 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(N2CC[NH+](C3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001296251764 1064515791 /nfs/dbraw/zinc/51/57/91/1064515791.db2.gz UCXVEDCNFXKYAN-VWLOTQADSA-N 1 0 476.666 2.546 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCC(=O)N(C)C)c1ccccc1 ZINC001291891083 1064516601 /nfs/dbraw/zinc/51/66/01/1064516601.db2.gz CVNWUZQEUCXKSA-OFNKIYASSA-N 1 0 468.646 2.988 20 0 JFADRO CC[C@@H](c1nnc(N2CCNC(=O)[C@H]2CC)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001291892732 1064519919 /nfs/dbraw/zinc/51/99/19/1064519919.db2.gz HJHPQEQYMDLVNR-DNQXCXABSA-N 1 0 481.689 2.808 20 0 JFADRO CC[C@H](c1nnc(N2CCNC(=O)[C@H]2CC)n1CC1CC[NH+](CCN(C)C)CC1)c1ccccc1 ZINC001291892731 1064520048 /nfs/dbraw/zinc/52/00/48/1064520048.db2.gz HJHPQEQYMDLVNR-BJKOFHAPSA-N 1 0 481.689 2.808 20 0 JFADRO CCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc3c2CC[N@H+](CC(C)(C)O)C3)CC1 ZINC001296256388 1064520282 /nfs/dbraw/zinc/52/02/82/1064520282.db2.gz BIZXHNVWNZNJAL-UHFFFAOYSA-N 1 0 451.633 2.596 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1 ZINC001291892798 1064520325 /nfs/dbraw/zinc/52/03/25/1064520325.db2.gz NCVQXDJBOPTWCJ-ACIOBRDBSA-N 1 0 468.646 2.724 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC001291892802 1064520513 /nfs/dbraw/zinc/52/05/13/1064520513.db2.gz NCVQXDJBOPTWCJ-MDNUFGMLSA-N 1 0 468.646 2.724 20 0 JFADRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC001296256936 1064521201 /nfs/dbraw/zinc/52/12/01/1064521201.db2.gz HEHDQAOVABTMTK-UHFFFAOYSA-N 1 0 452.523 2.993 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCCC1)c1ccccc1 ZINC001291893538 1064522673 /nfs/dbraw/zinc/52/26/73/1064522673.db2.gz SMBWNSIRLCKDAT-HSZRJFAPSA-N 1 0 467.662 2.516 20 0 JFADRO CC[C@@H](c1nnc(N2CC[N@H+](CCOC)[C@H](CC)C2)n1C[C@@]1(O)CCO[C@H]1C)c1ccccc1 ZINC001291895411 1064526217 /nfs/dbraw/zinc/52/62/17/1064526217.db2.gz VWNSDLJYUDDEPY-IOUIBGKWSA-N 1 0 471.646 2.907 20 0 JFADRO CC[C@H](c1nnc(N2CC[N@H+](CCOC)[C@@H](C)C2)n1CC(=O)NCC(F)(F)F)c1ccccc1 ZINC001291895906 1064527749 /nfs/dbraw/zinc/52/77/49/1064527749.db2.gz ZKNXOLDYYPRKOG-HKUYNNGSSA-N 1 0 482.551 2.655 20 0 JFADRO CCNC(=O)C1(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CCC1 ZINC001296267492 1064533746 /nfs/dbraw/zinc/53/37/46/1064533746.db2.gz ISTOVYRMKCPWTC-IBGZPJMESA-N 1 0 470.618 2.703 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC001296274444 1064544148 /nfs/dbraw/zinc/54/41/48/1064544148.db2.gz SZVCPIDSNOSKSD-FQEVSTJZSA-N 1 0 464.618 2.645 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(-c3ccc(C)o3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)c1 ZINC001296279595 1064549690 /nfs/dbraw/zinc/54/96/90/1064549690.db2.gz JLEVDUSMMJNTET-SFHVURJKSA-N 1 0 466.586 2.801 20 0 JFADRO CCn1c(SCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nnc1-c1ccco1 ZINC001296280021 1064550502 /nfs/dbraw/zinc/55/05/02/1064550502.db2.gz LKIUJWHSBWIUDI-IBGZPJMESA-N 1 0 455.584 2.923 20 0 JFADRO CCCn1c2ccccc2n(CCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1=O ZINC001296281975 1064553010 /nfs/dbraw/zinc/55/30/10/1064553010.db2.gz XOQFKADRPQQMMK-JOCHJYFZSA-N 1 0 450.583 2.876 20 0 JFADRO CCC(CC)(Cn1c([C@H]2CCCO2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001291940745 1064556316 /nfs/dbraw/zinc/55/63/16/1064556316.db2.gz ISFJGDQUFPALJU-ILWGZMRPSA-N 1 0 476.666 2.714 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001296286781 1064558467 /nfs/dbraw/zinc/55/84/67/1064558467.db2.gz OBRSAEBKZPHTML-BKMJKUGQSA-N 1 0 499.729 2.515 20 0 JFADRO CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291945577 1064560282 /nfs/dbraw/zinc/56/02/82/1064560282.db2.gz MIPQXQPCXAXSDN-CNNODRBYSA-N 1 0 459.612 2.643 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1)[NH+]1CCOCC1 ZINC001291950569 1064561323 /nfs/dbraw/zinc/56/13/23/1064561323.db2.gz ARMUFXUJDWJLBR-YADHBBJMSA-N 1 0 459.639 2.850 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1)[NH+](C)C ZINC001291950702 1064561754 /nfs/dbraw/zinc/56/17/54/1064561754.db2.gz CGLKEUBCCCVHAC-UYAOXDASSA-N 1 0 484.711 2.652 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1)[NH+](C)C ZINC001291950855 1064562125 /nfs/dbraw/zinc/56/21/25/1064562125.db2.gz CZRFBDBUYCEBOA-FCHUYYIVSA-N 1 0 486.665 2.675 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1)[NH+](C)C ZINC001291951863 1064564482 /nfs/dbraw/zinc/56/44/82/1064564482.db2.gz IQNIPYGXARYMTJ-YADHBBJMSA-N 1 0 497.692 2.776 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+](C)C ZINC001291952121 1064564496 /nfs/dbraw/zinc/56/44/96/1064564496.db2.gz IJYWCHJVQYYXGE-HKUYNNGSSA-N 1 0 486.621 2.569 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1)[NH+](C)C ZINC001291952123 1064564612 /nfs/dbraw/zinc/56/46/12/1064564612.db2.gz IJYWCHJVQYYXGE-PKOBYXMFSA-N 1 0 486.621 2.569 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001296289647 1064565147 /nfs/dbraw/zinc/56/51/47/1064565147.db2.gz VHECFYCNNOVOFP-OAQYLSRUSA-N 1 0 488.080 2.977 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291953108 1064566192 /nfs/dbraw/zinc/56/61/92/1064566192.db2.gz LXSRDLGGGOSMPX-OAQYLSRUSA-N 1 0 458.607 2.652 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291954389 1064567847 /nfs/dbraw/zinc/56/78/47/1064567847.db2.gz UDFCKOAMXDATFL-PGRDOPGGSA-N 1 0 488.608 2.630 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)[NH+]1CCOCC1 ZINC001291955410 1064569618 /nfs/dbraw/zinc/56/96/18/1064569618.db2.gz YWYPEWVCXVZDAW-JOCHJYFZSA-N 1 0 463.648 2.763 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1)[NH+](C)C ZINC001291955398 1064570048 /nfs/dbraw/zinc/57/00/48/1064570048.db2.gz UYKMONVZYHRZTK-WOJBJXKFSA-N 1 0 478.041 2.701 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291955681 1064570545 /nfs/dbraw/zinc/57/05/45/1064570545.db2.gz ZSNKDISJYVDZJS-IFMALSPDSA-N 1 0 461.699 2.901 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@@H]1CC)[NH+]1CCOCC1 ZINC001291956203 1064571157 /nfs/dbraw/zinc/57/11/57/1064571157.db2.gz ZMPJXWYTGLHIRR-XZOQPEGZSA-N 1 0 484.645 2.806 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)[NH+](C)C ZINC001291956085 1064571218 /nfs/dbraw/zinc/57/12/18/1064571218.db2.gz YDWJSYBIVBGYSW-SIKLNZKXSA-N 1 0 486.617 2.970 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CCNC(=O)[C@H]1CC)[NH+]1CCOCC1 ZINC001291956198 1064571249 /nfs/dbraw/zinc/57/12/49/1064571249.db2.gz ZMPJXWYTGLHIRR-DHIUTWEWSA-N 1 0 484.645 2.806 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001296296161 1064572923 /nfs/dbraw/zinc/57/29/23/1064572923.db2.gz UUIUHDUNFXCYCF-UHFFFAOYSA-N 1 0 485.652 2.531 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+](C)C ZINC001291961339 1064573904 /nfs/dbraw/zinc/57/39/04/1064573904.db2.gz HKUPJLVVKULYPR-LPHOPBHVSA-N 1 0 456.591 2.707 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](COC)C1)[NH+]1CCOCC1 ZINC001291961889 1064574746 /nfs/dbraw/zinc/57/47/46/1064574746.db2.gz CJEGWDAJBORHFK-UGKGYDQZSA-N 1 0 457.623 2.735 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC)C1)[NH+](C)C ZINC001291963109 1064576756 /nfs/dbraw/zinc/57/67/56/1064576756.db2.gz RJTDCSRCUROBPD-VQTJNVASSA-N 1 0 459.591 2.892 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291963999 1064577571 /nfs/dbraw/zinc/57/75/71/1064577571.db2.gz LRVMQPLKURACDA-DEOSSOPVSA-N 1 0 496.704 2.759 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291963907 1064577599 /nfs/dbraw/zinc/57/75/99/1064577599.db2.gz KYLHSTGYGOEBLG-WIYYLYMNSA-N 1 0 459.639 2.819 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCOCC1 ZINC001291964971 1064578615 /nfs/dbraw/zinc/57/86/15/1064578615.db2.gz NPZAQZWRYFCAEX-QHCPKHFHSA-N 1 0 483.661 2.844 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1)[NH+]1CCOCC1 ZINC001291966778 1064580891 /nfs/dbraw/zinc/58/08/91/1064580891.db2.gz YTKHTJQJBNFHCD-YSZBQJHXSA-N 1 0 456.635 2.993 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1)[NH+](C)C ZINC001291966822 1064581159 /nfs/dbraw/zinc/58/11/59/1064581159.db2.gz DGHPKTZYUYBZAW-GOTSBHOMSA-N 1 0 470.662 2.765 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS[C@H](C(C)C)C1)[NH+]1CCOCC1 ZINC001291967221 1064582041 /nfs/dbraw/zinc/58/20/41/1064582041.db2.gz OAKHLHXTMRONQF-HKBOAZHASA-N 1 0 478.707 2.944 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1)[NH+](C)C ZINC001291967354 1064582393 /nfs/dbraw/zinc/58/23/93/1064582393.db2.gz IMNNVJHJFONVDT-FPOVZHCZSA-N 1 0 457.598 2.588 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291967808 1064583372 /nfs/dbraw/zinc/58/33/72/1064583372.db2.gz MKRBQRIYCSWZEH-OAQYLSRUSA-N 1 0 489.709 2.504 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001291968233 1064584016 /nfs/dbraw/zinc/58/40/16/1064584016.db2.gz OZCPULMHNJZDLA-QPPBQGQZSA-N 1 0 482.673 2.981 20 0 JFADRO Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)Nc1ccc(-c2csnn2)cc1 ZINC001291968871 1064584721 /nfs/dbraw/zinc/58/47/21/1064584721.db2.gz AMLXBBCJKSKXNY-UHFFFAOYSA-N 1 0 459.597 2.996 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1)[NH+](C)C ZINC001291970142 1064585963 /nfs/dbraw/zinc/58/59/63/1064585963.db2.gz ZWEYDCMUZVBABI-FHWLQOOXSA-N 1 0 496.703 2.581 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001291972720 1064587002 /nfs/dbraw/zinc/58/70/02/1064587002.db2.gz CCZCSFATOXTZPJ-PKTZIBPZSA-N 1 0 484.645 2.790 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccn2)CC1)[NH+](C)C ZINC001291973059 1064588005 /nfs/dbraw/zinc/58/80/05/1064588005.db2.gz FEOHXRYSERKAPK-QFIPXVFZSA-N 1 0 453.635 2.954 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(F)(F)F)[NH+]1CCOCC1 ZINC001291973360 1064588292 /nfs/dbraw/zinc/58/82/92/1064588292.db2.gz HFRPIQCKOOJAMU-KRWDZBQOSA-N 1 0 460.545 2.536 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)[NH+](C)C ZINC001291974068 1064588571 /nfs/dbraw/zinc/58/85/71/1064588571.db2.gz KZLSMSCDCQHBJC-YTFSRNRJSA-N 1 0 473.666 2.890 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001296307927 1064588892 /nfs/dbraw/zinc/58/88/92/1064588892.db2.gz QJVJNHTYYYQFPL-FQEVSTJZSA-N 1 0 455.607 2.680 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+](C)C ZINC001291974326 1064588989 /nfs/dbraw/zinc/58/89/89/1064588989.db2.gz MLZICLSAGJZXDN-OAQYLSRUSA-N 1 0 470.666 2.613 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291974380 1064589177 /nfs/dbraw/zinc/58/91/77/1064589177.db2.gz NFGVCFGYJFNSRA-HSZRJFAPSA-N 1 0 465.650 2.690 20 0 JFADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001291974349 1064589197 /nfs/dbraw/zinc/58/91/97/1064589197.db2.gz MRQDFHZNIYMHRX-URXFXBBRSA-N 1 0 482.673 2.867 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001291974354 1064589310 /nfs/dbraw/zinc/58/93/10/1064589310.db2.gz MRQDFHZNIYMHRX-ZJSXRUAMSA-N 1 0 482.673 2.867 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1)[NH+](C)C ZINC001291975743 1064591435 /nfs/dbraw/zinc/59/14/35/1064591435.db2.gz YHKFQKCCVIRBHZ-JOCHJYFZSA-N 1 0 485.681 2.500 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)on1 ZINC001291976213 1064592034 /nfs/dbraw/zinc/59/20/34/1064592034.db2.gz DTPOAQMPIUTQAW-IEBWSBKVSA-N 1 0 493.678 2.893 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001296312729 1064593058 /nfs/dbraw/zinc/59/30/58/1064593058.db2.gz YAEGJDIVOGOPPL-BGYRXZFFSA-N 1 0 468.650 2.948 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001291977440 1064593195 /nfs/dbraw/zinc/59/31/95/1064593195.db2.gz JIDIFPZIMYSGJV-VWASARBBSA-N 1 0 463.667 2.966 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001291977442 1064593256 /nfs/dbraw/zinc/59/32/56/1064593256.db2.gz JIDIFPZIMYSGJV-YINJNCFMSA-N 1 0 463.667 2.966 20 0 JFADRO CCC(CC)[C@H](Cn1c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001291977898 1064593516 /nfs/dbraw/zinc/59/35/16/1064593516.db2.gz KNIXVAKNGWLUKY-PMVMPFDFSA-N 1 0 476.710 2.870 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)on1 ZINC001291979329 1064594385 /nfs/dbraw/zinc/59/43/85/1064594385.db2.gz ZRRBQJKRLJIEPP-KRWDZBQOSA-N 1 0 493.678 2.893 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001296315453 1064594450 /nfs/dbraw/zinc/59/44/50/1064594450.db2.gz BSPFTYWSTSMISV-FQEVSTJZSA-N 1 0 453.635 2.761 20 0 JFADRO CCC(CC)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291979626 1064594764 /nfs/dbraw/zinc/59/47/64/1064594764.db2.gz SXETUPIQJRIGPF-NRFANRHFSA-N 1 0 491.036 2.584 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001296315615 1064594798 /nfs/dbraw/zinc/59/47/98/1064594798.db2.gz DZRGMZKMSVXFRD-UHFFFAOYSA-N 1 0 457.598 2.736 20 0 JFADRO CCC(CC)[C@@H](Cn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1)[NH+](C)C ZINC001291980263 1064595117 /nfs/dbraw/zinc/59/51/17/1064595117.db2.gz ZZWMOMHBUDXRBC-ZGDJDIHISA-N 1 0 451.656 2.892 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296316386 1064597048 /nfs/dbraw/zinc/59/70/48/1064597048.db2.gz WTAGHZHWFDYTJF-IRLDBZIGSA-N 1 0 453.635 2.993 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC(NC(C)=O)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001291985583 1064597445 /nfs/dbraw/zinc/59/74/45/1064597445.db2.gz ALKUMYHHBXEDEQ-OSFYOIPJSA-N 1 0 475.682 2.812 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001296317414 1064599960 /nfs/dbraw/zinc/59/99/60/1064599960.db2.gz OEWHZWQHTCPLSE-NRFANRHFSA-N 1 0 476.629 2.636 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001296317436 1064600061 /nfs/dbraw/zinc/60/00/61/1064600061.db2.gz OTSCZXUHZRCQFX-UHFFFAOYSA-N 1 0 466.634 2.790 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291987540 1064600974 /nfs/dbraw/zinc/60/09/74/1064600974.db2.gz CMGZJCKJQZRQLQ-SFHVURJKSA-N 1 0 463.671 2.668 20 0 JFADRO C[C@@H]1CN(C(=O)c2ccc(NC(=O)[C@@]3(O)CCC[N@H+](Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001291988729 1064603249 /nfs/dbraw/zinc/60/32/49/1064603249.db2.gz AFBWZXUTGQCRAP-XMERXJNXSA-N 1 0 451.567 2.902 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)n1C[C@H]1COCCO1 ZINC001291989038 1064603839 /nfs/dbraw/zinc/60/38/39/1064603839.db2.gz LHJZXFIKKCTVPY-QHCPKHFHSA-N 1 0 484.645 2.713 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccccc3F)n2CCC[NH+]2CCCCC2)CC1 ZINC001296324210 1064607328 /nfs/dbraw/zinc/60/73/28/1064607328.db2.gz FXSRMTNPBOUEMA-UHFFFAOYSA-N 1 0 473.597 2.724 20 0 JFADRO C[C@H]1C[N@H+](CCCNC(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CCCO1 ZINC001296324305 1064608759 /nfs/dbraw/zinc/60/87/59/1064608759.db2.gz YUQMVJOVVIKEHJ-SFHVURJKSA-N 1 0 459.591 2.678 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291993361 1064608996 /nfs/dbraw/zinc/60/89/96/1064608996.db2.gz GWDLWEPNXASANP-ZWKOTPCHSA-N 1 0 458.655 2.995 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291993357 1064609053 /nfs/dbraw/zinc/60/90/53/1064609053.db2.gz GWDLWEPNXASANP-QZTJIDSGSA-N 1 0 458.655 2.995 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2C[C@H](C)[NH+](C)C)C1 ZINC001296324630 1064610817 /nfs/dbraw/zinc/61/08/17/1064610817.db2.gz AXZZCJNQULBLEG-WMZOPIPTSA-N 1 0 480.704 2.744 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H](C)CC)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC001296326146 1064620017 /nfs/dbraw/zinc/62/00/17/1064620017.db2.gz KOQDVUXCVHWUPO-FPOVZHCZSA-N 1 0 496.722 2.733 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC001296326148 1064620066 /nfs/dbraw/zinc/62/00/66/1064620066.db2.gz KOQDVUXCVHWUPO-PZJWPPBQSA-N 1 0 496.722 2.733 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)C)n2C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC001296327832 1064622182 /nfs/dbraw/zinc/62/21/82/1064622182.db2.gz ZHHUWLKDOKKVDE-NHCUHLMSSA-N 1 0 460.648 2.584 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001296328283 1064622685 /nfs/dbraw/zinc/62/26/85/1064622685.db2.gz ANSGENIPBLQJDA-MJGOQNOKSA-N 1 0 496.081 2.632 20 0 JFADRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1CCN(Cc2csc(C)n2)CC1 ZINC001292003860 1064623541 /nfs/dbraw/zinc/62/35/41/1064623541.db2.gz DTIIDFDUMNCAMA-NRFANRHFSA-N 1 0 450.649 2.930 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1CC[N@H+](C)Cc1ccccc1 ZINC001292013009 1064638001 /nfs/dbraw/zinc/63/80/01/1064638001.db2.gz GXICUFBIBFIBDE-YADHBBJMSA-N 1 0 481.645 2.576 20 0 JFADRO 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CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001292077176 1064759198 /nfs/dbraw/zinc/75/91/98/1064759198.db2.gz XQRIOULRKJYNBK-QFIPXVFZSA-N 1 0 464.680 2.641 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292077476 1064759664 /nfs/dbraw/zinc/75/96/64/1064759664.db2.gz YLLOODPHRQUYED-VXKWHMMOSA-N 1 0 466.721 2.967 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)nc3C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001292088986 1064772812 /nfs/dbraw/zinc/77/28/12/1064772812.db2.gz GXUWOMCPPSQRTR-XMSQKQJNSA-N 1 0 485.681 2.978 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292091364 1064778332 /nfs/dbraw/zinc/77/83/32/1064778332.db2.gz UPPVDNRYGKNXND-VXKWHMMOSA-N 1 0 487.624 2.743 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC[C@H](Cn3nc(C)nc3C)C2)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001292093045 1064781318 /nfs/dbraw/zinc/78/13/18/1064781318.db2.gz DDXQGLMSYHMSDN-LEWJYISDSA-N 1 0 485.681 2.663 20 0 JFADRO 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CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001292113923 1064825343 /nfs/dbraw/zinc/82/53/43/1064825343.db2.gz PZCCXMCKTCJEEY-MOPGFXCFSA-N 1 0 477.654 2.595 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1cccc(OC)c1OC ZINC001292114568 1064829415 /nfs/dbraw/zinc/82/94/15/1064829415.db2.gz CEMXZMASPVWOKP-UHFFFAOYSA-N 1 0 458.607 2.792 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(-n2cccn2)cc1 ZINC001292116016 1064835471 /nfs/dbraw/zinc/83/54/71/1064835471.db2.gz PAYAMAXMASVFBZ-UHFFFAOYSA-N 1 0 464.618 2.961 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001292121560 1064850367 /nfs/dbraw/zinc/85/03/67/1064850367.db2.gz ABTUCHIPRXXMAO-HXUWFJFHSA-N 1 0 497.692 2.886 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292122801 1064859230 /nfs/dbraw/zinc/85/92/30/1064859230.db2.gz XPUSDKLHXMEJQV-KDURUIRLSA-N 1 0 487.693 2.764 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCC(=O)NC1CCCCC1 ZINC001292123551 1064862272 /nfs/dbraw/zinc/86/22/72/1064862272.db2.gz GHBAQWOKYOSKEE-SFHVURJKSA-N 1 0 461.655 2.566 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CC[NH+]1CCCCCC1 ZINC001292124052 1064864026 /nfs/dbraw/zinc/86/40/26/1064864026.db2.gz JVWCSZTWIFCTSC-HXUWFJFHSA-N 1 0 475.682 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1CCc1n[nH]c(C)n1 ZINC001292125472 1064869780 /nfs/dbraw/zinc/86/97/80/1064869780.db2.gz UKVPUPDOENDCJA-GOSISDBHSA-N 1 0 479.633 2.576 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](CCc3cccs3)CC2)n1Cc1cnn(C)c1C ZINC001292125699 1064870534 /nfs/dbraw/zinc/87/05/34/1064870534.db2.gz DMVHFTZZNUHHIS-UHFFFAOYSA-N 1 0 484.674 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CC(F)(F)F ZINC001292125741 1064871136 /nfs/dbraw/zinc/87/11/36/1064871136.db2.gz FLXQKHJAXVDNCG-IAGOWNOFSA-N 1 0 473.588 2.754 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1ccsc1 ZINC001292126347 1064873082 /nfs/dbraw/zinc/87/30/82/1064873082.db2.gz NSKHFQSOKLUKGF-QGZVFWFLSA-N 1 0 460.648 2.996 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1Cc1csc(C)c1 ZINC001292126377 1064875118 /nfs/dbraw/zinc/87/51/18/1064875118.db2.gz OAVSPDUYCCQWLM-UHFFFAOYSA-N 1 0 460.648 2.916 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001292126429 1064875512 /nfs/dbraw/zinc/87/55/12/1064875512.db2.gz PWJUUMMGWVNGET-GOSISDBHSA-N 1 0 481.645 2.654 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(C(N)=O)cc1 ZINC001292126430 1064875630 /nfs/dbraw/zinc/87/56/30/1064875630.db2.gz PWJUUMMGWVNGET-SFHVURJKSA-N 1 0 481.645 2.654 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1Cc1cccn(CC)c1=O ZINC001292126689 1064876964 /nfs/dbraw/zinc/87/69/64/1064876964.db2.gz SDUWEOPXJQFUFF-LJQANCHMSA-N 1 0 483.661 2.737 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001292127009 1064879363 /nfs/dbraw/zinc/87/93/63/1064879363.db2.gz WVVYSGZNSJOXPA-UHFFFAOYSA-N 1 0 489.665 2.738 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001292133574 1064888834 /nfs/dbraw/zinc/88/88/34/1064888834.db2.gz IGQGGWUYRAPAAD-RTWAWAEBSA-N 1 0 469.634 2.523 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292135407 1064900252 /nfs/dbraw/zinc/90/02/52/1064900252.db2.gz KFLYBUDNVRCMOA-FHWLQOOXSA-N 1 0 464.655 2.700 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@@H](CC)[NH+]1CCCC1 ZINC001292135492 1064900701 /nfs/dbraw/zinc/90/07/01/1064900701.db2.gz LYUVBMOLPISNHH-BWKNWUBXSA-N 1 0 486.665 2.556 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292137739 1064905413 /nfs/dbraw/zinc/90/54/13/1064905413.db2.gz WRTDQRVUSJUHBG-RXFWQSSRSA-N 1 0 491.725 2.864 20 0 JFADRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(C(F)(F)F)cc1 ZINC001292142653 1064910217 /nfs/dbraw/zinc/91/02/17/1064910217.db2.gz ZCZHUMULWDQETA-CEXWTWQISA-N 1 0 451.493 2.634 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292145274 1064918997 /nfs/dbraw/zinc/91/89/97/1064918997.db2.gz SZDFLSSHMZBEIN-HJNYFJLDSA-N 1 0 476.666 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001292150438 1064927620 /nfs/dbraw/zinc/92/76/20/1064927620.db2.gz BOVQYBIBGOHFPW-GGPKGHCWSA-N 1 0 489.665 2.642 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292150938 1064928871 /nfs/dbraw/zinc/92/88/71/1064928871.db2.gz HMFVTRXIQHPWEB-PKOBYXMFSA-N 1 0 477.654 2.642 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[N@H+](C)C1CC1 ZINC001292151889 1064931101 /nfs/dbraw/zinc/93/11/01/1064931101.db2.gz VPTQMWBRLUMYKY-SJLPKXTDSA-N 1 0 477.654 2.783 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)[NH+](C)C ZINC001292153159 1064932430 /nfs/dbraw/zinc/93/24/30/1064932430.db2.gz CRLUNTCTDICDAE-LSTHTHJFSA-N 1 0 491.681 2.886 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001292154434 1064934639 /nfs/dbraw/zinc/93/46/39/1064934639.db2.gz ZUVGNJRZLLGNBN-YSZBQJHXSA-N 1 0 486.636 2.996 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@](C)(O)CC ZINC001292154527 1064934726 /nfs/dbraw/zinc/93/47/26/1064934726.db2.gz DRMGGMUGDGXZIA-YZIHRLCOSA-N 1 0 468.646 2.926 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnccn1)[N@@H+]1CCc2ccccc2C1 ZINC001292158657 1064939179 /nfs/dbraw/zinc/93/91/79/1064939179.db2.gz DJFFNKRGSVOGIB-JOCHJYFZSA-N 1 0 462.602 2.680 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC001292160456 1064942478 /nfs/dbraw/zinc/94/24/78/1064942478.db2.gz QHBKSFQXSXBHRO-ZACQAIPSSA-N 1 0 458.529 2.545 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)[NH+]1CCCC1 ZINC001292161873 1064946511 /nfs/dbraw/zinc/94/65/11/1064946511.db2.gz IGOLRJKQBGSLDH-LEWJYISDSA-N 1 0 456.639 2.946 20 0 JFADRO CC[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CC(=O)NC(C)C)[NH+]1CCCC1 ZINC001292162259 1064946945 /nfs/dbraw/zinc/94/69/45/1064946945.db2.gz JUYLXIGWBAZTAT-NRFANRHFSA-N 1 0 469.634 2.982 20 0 JFADRO CC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001292163860 1064950206 /nfs/dbraw/zinc/95/02/06/1064950206.db2.gz RAXRKXIDAYLANB-IBGZPJMESA-N 1 0 498.632 2.761 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1)[NH+]1CCCC1 ZINC001292165474 1064952294 /nfs/dbraw/zinc/95/22/94/1064952294.db2.gz VMYBWOOGWKDNEY-GMAHTHKFSA-N 1 0 495.672 2.937 20 0 JFADRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1(n2cnnn2)CCOCC1 ZINC001292166559 1064954331 /nfs/dbraw/zinc/95/43/31/1064954331.db2.gz PGZXHMZLXXEMJH-UHFFFAOYSA-N 1 0 455.390 2.856 20 0 JFADRO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[N@@H+](C(C)C)CC1)Oc1cccc(F)c1 ZINC001292170373 1064955929 /nfs/dbraw/zinc/95/59/29/1064955929.db2.gz CELKNNAWRJZEIJ-QUCCMNQESA-N 1 0 496.653 2.806 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)NC(=O)OC(C)(C)C ZINC001292172155 1064958357 /nfs/dbraw/zinc/95/83/57/1064958357.db2.gz JFHVYFAHLLYYCK-XUVXKRRUSA-N 1 0 491.681 2.838 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](C)(C(=O)NC)C1)[NH+]1CCCC1 ZINC001292173445 1064962282 /nfs/dbraw/zinc/96/22/82/1064962282.db2.gz HCQMAXRXZDLDKX-VGOFRKELSA-N 1 0 492.466 2.883 20 0 JFADRO CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C(=O)NC)[NH+]1CCCC1 ZINC001292180988 1064970859 /nfs/dbraw/zinc/97/08/59/1064970859.db2.gz RHEDDPDLRKPNGJ-GDBMZVCRSA-N 1 0 466.428 2.728 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccs1)[NH+]1CCCC1 ZINC001292223861 1065010712 /nfs/dbraw/zinc/01/07/12/1065010712.db2.gz LPTWMCIZXJGYPJ-QRVBRYPASA-N 1 0 496.703 2.744 20 0 JFADRO CC[C@@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001292226059 1065013636 /nfs/dbraw/zinc/01/36/36/1065013636.db2.gz QRZHAXDQPSKFMD-FQEVSTJZSA-N 1 0 494.706 2.836 20 0 JFADRO CC[C@H](Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC001292227232 1065015136 /nfs/dbraw/zinc/01/51/36/1065015136.db2.gz WFVIPOQRGNYHMF-UYAOXDASSA-N 1 0 491.681 2.967 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1)[NH+]1CCCC1 ZINC001292227571 1065015385 /nfs/dbraw/zinc/01/53/85/1065015385.db2.gz YKUNBMXHKFSOEX-UXHICEINSA-N 1 0 475.663 2.604 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1)[NH+]1CCCC1 ZINC001292227574 1065015530 /nfs/dbraw/zinc/01/55/30/1065015530.db2.gz YKUNBMXHKFSOEX-WOJBJXKFSA-N 1 0 475.663 2.604 20 0 JFADRO CC[C@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292229797 1065016921 /nfs/dbraw/zinc/01/69/21/1065016921.db2.gz HOJFOSVUIISZTQ-RPWUZVMVSA-N 1 0 468.646 2.655 20 0 JFADRO CC[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001292231824 1065018432 /nfs/dbraw/zinc/01/84/32/1065018432.db2.gz VHPZZPOMVGPDKT-OAQYLSRUSA-N 1 0 492.665 2.791 20 0 JFADRO CC[C@H](Cn1c(CCc2ccc(OC)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001292242404 1065024766 /nfs/dbraw/zinc/02/47/66/1065024766.db2.gz KFLMOWGSLHNYSQ-TZIWHRDSSA-N 1 0 454.619 2.613 20 0 JFADRO CC[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[NH+](C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001292243901 1065027157 /nfs/dbraw/zinc/02/71/57/1065027157.db2.gz PZXGQVCLKLLXHY-OAQYLSRUSA-N 1 0 499.660 2.868 20 0 JFADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)[NH+]1CCCC1 ZINC001292246234 1065029597 /nfs/dbraw/zinc/02/95/97/1065029597.db2.gz FLGDLJOLQOIUCK-FQEVSTJZSA-N 1 0 489.571 2.628 20 0 JFADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)[NH+]1CCCC1 ZINC001292249571 1065032858 /nfs/dbraw/zinc/03/28/58/1065032858.db2.gz WVBFQKTTXHVFFI-QGZVFWFLSA-N 1 0 482.555 2.664 20 0 JFADRO CC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OC ZINC001292249755 1065033235 /nfs/dbraw/zinc/03/32/35/1065033235.db2.gz YWFGGMQBPNGFRV-QHCPKHFHSA-N 1 0 472.682 2.560 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1)[NH+]1CCCC1 ZINC001292254048 1065036990 /nfs/dbraw/zinc/03/69/90/1065036990.db2.gz HXYABVBIQOSUOX-MRXNPFEDSA-N 1 0 467.401 2.975 20 0 JFADRO CC[C@@H](Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1)[NH+]1CCCC1 ZINC001292254759 1065037304 /nfs/dbraw/zinc/03/73/04/1065037304.db2.gz MFNQTWOIZBKNER-MOPGFXCFSA-N 1 0 457.575 2.739 20 0 JFADRO CC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292255405 1065037890 /nfs/dbraw/zinc/03/78/90/1065037890.db2.gz NEEHTZFQZXJCRX-VNTMZGSJSA-N 1 0 489.665 2.590 20 0 JFADRO CC[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1)[NH+]1CCCC1 ZINC001292262410 1065041265 /nfs/dbraw/zinc/04/12/65/1065041265.db2.gz OBKFJKHRXUSCSH-XUVXKRRUSA-N 1 0 461.655 2.533 20 0 JFADRO CCC(O)(CC)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001292267553 1065046966 /nfs/dbraw/zinc/04/69/66/1065046966.db2.gz LQMHOJISDPUEOC-UHFFFAOYSA-N 1 0 475.037 2.945 20 0 JFADRO CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001292267916 1065047440 /nfs/dbraw/zinc/04/74/40/1065047440.db2.gz NUPNXCFUDACGJD-UXHICEINSA-N 1 0 492.690 2.540 20 0 JFADRO CCC(O)(CC)Cn1c(Cc2ccsc2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001292288375 1065060619 /nfs/dbraw/zinc/06/06/19/1065060619.db2.gz AIZVVKHZHIWUCI-JOCHJYFZSA-N 1 0 490.718 2.713 20 0 JFADRO CC[C@]1(C)CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001292304936 1065075256 /nfs/dbraw/zinc/07/52/56/1065075256.db2.gz OGDBIVIOSNNDTQ-ZYLNGJIFSA-N 1 0 460.667 2.957 20 0 JFADRO CC[C@@]1(C)CN(c2nnc(-c3ccc(C)o3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001292353532 1065098039 /nfs/dbraw/zinc/09/80/39/1065098039.db2.gz KUSCOEAYVPSCEF-CYFREDJKSA-N 1 0 458.607 2.795 20 0 JFADRO CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001292378080 1065120818 /nfs/dbraw/zinc/12/08/18/1065120818.db2.gz UYWNYDSAHDVXPJ-HKUYNNGSSA-N 1 0 452.669 2.922 20 0 JFADRO COc1cc2nc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCCC3)c(=O)n(C)c2cc1OC ZINC001292379150 1065122565 /nfs/dbraw/zinc/12/25/65/1065122565.db2.gz ZLSGQTLGPROHEQ-FQEVSTJZSA-N 1 0 450.539 2.826 20 0 JFADRO C[C@H](CNC(=O)c1ccc(I)c(I)c1)[NH+](C)C ZINC001292391707 1065130472 /nfs/dbraw/zinc/13/04/72/1065130472.db2.gz JKQDZWYSQYCVFZ-MRVPVSSYSA-N 1 0 458.081 2.576 20 0 JFADRO CCC1(CC)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CCS1 ZINC001292393360 1065132159 /nfs/dbraw/zinc/13/21/59/1065132159.db2.gz AGRQEENGVBBEIW-JOCHJYFZSA-N 1 0 493.699 2.527 20 0 JFADRO CCC1(CC)CN(c2nnc(CN3CCCC3=O)n2C[C@]2([NH+](C)C)CCSC2)CCS1 ZINC001292402837 1065138482 /nfs/dbraw/zinc/13/84/82/1065138482.db2.gz DIHGQSFDQKBBBF-OAQYLSRUSA-N 1 0 466.721 2.950 20 0 JFADRO CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC001292415298 1065149111 /nfs/dbraw/zinc/14/91/11/1065149111.db2.gz XSOSPCMCXNGTNF-ZCNNSNEGSA-N 1 0 496.722 2.794 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC001292421054 1065152877 /nfs/dbraw/zinc/15/28/77/1065152877.db2.gz YSNAHQJQTXLMGQ-BFYDXBDKSA-N 1 0 450.536 2.660 20 0 JFADRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC001292421057 1065152930 /nfs/dbraw/zinc/15/29/30/1065152930.db2.gz YSNAHQJQTXLMGQ-INMHGKMJSA-N 1 0 450.536 2.660 20 0 JFADRO C[C@@H](NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001292454323 1065176171 /nfs/dbraw/zinc/17/61/71/1065176171.db2.gz MPLFQMIXMDVIEI-IBVKSMDESA-N 1 0 450.583 2.757 20 0 JFADRO COc1cc2c(cc1OC)CN(C(=O)CCC(=O)N(CC[NH+](C)C)Cc1ccccc1)CC2 ZINC001292456490 1065177870 /nfs/dbraw/zinc/17/78/70/1065177870.db2.gz QKUVIOWWDWYNBS-UHFFFAOYSA-N 1 0 453.583 2.959 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](COC(C)C)C2)[NH+](C)C)cc1 ZINC001292457272 1065179053 /nfs/dbraw/zinc/17/90/53/1065179053.db2.gz JMECXRLVEIAUOW-ZRBLBEILSA-N 1 0 484.645 2.725 20 0 JFADRO CCc1ccc([C@H](Cn2c(C)nnc2N2CCCN(Cc3noc(C)n3)CC2)[NH+](C)C)cc1 ZINC001292457925 1065180245 /nfs/dbraw/zinc/18/02/45/1065180245.db2.gz LQULRKPEQJFWNO-QFIPXVFZSA-N 1 0 452.607 2.856 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H]2CCCOC2)[NH+](C)C)cc1 ZINC001292458325 1065181539 /nfs/dbraw/zinc/18/15/39/1065181539.db2.gz ORTVHVCQHKEMCU-HJNYFJLDSA-N 1 0 454.619 2.957 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CC)Cc2cnn(C)c2)[NH+](C)C)cc1 ZINC001292458450 1065182355 /nfs/dbraw/zinc/18/23/55/1065182355.db2.gz OYSVKEHNWMLQAQ-FGZHOGPDSA-N 1 0 464.618 2.855 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292458862 1065183690 /nfs/dbraw/zinc/18/36/90/1065183690.db2.gz QPBMQBCOOVOJOP-ZEQRLZLVSA-N 1 0 477.613 2.547 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(NC(C)=O)CC2)[NH+](C)C)cc1 ZINC001292459642 1065185453 /nfs/dbraw/zinc/18/54/53/1065185453.db2.gz DHAHIAOITIEZSO-GGAORHGYSA-N 1 0 454.619 2.752 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)[NH+](C)C)cc1 ZINC001292460186 1065187115 /nfs/dbraw/zinc/18/71/15/1065187115.db2.gz HIDGOXAOVVCFRX-XZOQPEGZSA-N 1 0 484.645 2.856 20 0 JFADRO CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](C(N)=O)C2)[NH+](C)C)cc1 ZINC001292461528 1065190241 /nfs/dbraw/zinc/19/02/41/1065190241.db2.gz OOLDGPMBFLVCIW-PKTZIBPZSA-N 1 0 461.614 2.831 20 0 JFADRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)COCCNC(=O)OC(C)(C)C ZINC001292464657 1065193451 /nfs/dbraw/zinc/19/34/51/1065193451.db2.gz DZNLAXXJMYEYBB-UHFFFAOYSA-N 1 0 458.397 2.881 20 0 JFADRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001292469980 1065195967 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WYWYRQUZYONCGA-GOSISDBHSA-N 1 0 454.623 2.727 20 0 JFADRO CCc1nn(C)c(OC)c1Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001292780353 1065539505 /nfs/dbraw/zinc/53/95/05/1065539505.db2.gz BXRQUOGTLVXTNA-MSOLQXFVSA-N 1 0 452.607 2.536 20 0 JFADRO CCc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292803037 1065560772 /nfs/dbraw/zinc/56/07/72/1065560772.db2.gz SJEWMSOUZSSYOX-KZNAEPCWSA-N 1 0 478.663 2.573 20 0 JFADRO CCc1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001292813704 1065564211 /nfs/dbraw/zinc/56/42/11/1065564211.db2.gz OFFCYBBDGIMSTQ-RTWAWAEBSA-N 1 0 462.589 2.907 20 0 JFADRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 ZINC001292830260 1065568867 /nfs/dbraw/zinc/56/88/67/1065568867.db2.gz WAJAWDZBQMYCAM-UHFFFAOYSA-N 1 0 456.534 2.625 20 0 JFADRO CCc1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292876727 1065582688 /nfs/dbraw/zinc/58/26/88/1065582688.db2.gz VCSGZMJWWDKDSX-UHFFFAOYSA-N 1 0 452.607 2.542 20 0 JFADRO C[NH+](C)CCSc1nc(CC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cs1 ZINC001292888436 1065585794 /nfs/dbraw/zinc/58/57/94/1065585794.db2.gz LHRGPNZPZWACJD-UHFFFAOYSA-N 1 0 458.606 2.657 20 0 JFADRO O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC001292888224 1065585922 /nfs/dbraw/zinc/58/59/22/1065585922.db2.gz JJHUSTDZYBLNKF-QHCPKHFHSA-N 1 0 456.612 2.568 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)Oc1ccc(F)cc1 ZINC001292893219 1065593044 /nfs/dbraw/zinc/59/30/44/1065593044.db2.gz MKZGMOZFCNPVTQ-SFYKDHMMSA-N 1 0 472.609 2.826 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893428 1065594268 /nfs/dbraw/zinc/59/42/68/1065594268.db2.gz NVGYHGALKQHTGZ-JTHBVZDNSA-N 1 0 468.646 2.915 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccccc1OCC(F)(F)F ZINC001292893542 1065594855 /nfs/dbraw/zinc/59/48/55/1065594855.db2.gz PDQQFXBGXFRFIK-XLIONFOSSA-N 1 0 494.562 2.819 20 0 JFADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001292911541 1065601456 /nfs/dbraw/zinc/60/14/56/1065601456.db2.gz GCUQEUVMFSLHPC-KRWDZBQOSA-N 1 0 461.632 2.739 20 0 JFADRO CCc1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292911808 1065602083 /nfs/dbraw/zinc/60/20/83/1065602083.db2.gz MKKZYISGMWHTDC-SCTDSRPQSA-N 1 0 473.618 2.799 20 0 JFADRO Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001292922872 1065610755 /nfs/dbraw/zinc/61/07/55/1065610755.db2.gz MFUXWUDCGYEFPZ-JTHBVZDNSA-N 1 0 455.603 2.755 20 0 JFADRO CCc1nnc(N2CCC(C(=O)N3CCC(C)CC3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001292924618 1065616837 /nfs/dbraw/zinc/61/68/37/1065616837.db2.gz YZBFIOVLDMDKTH-JOCHJYFZSA-N 1 0 473.710 2.589 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292925343 1065618422 /nfs/dbraw/zinc/61/84/22/1065618422.db2.gz UVLUANPJXYVYSU-UHFFFAOYSA-N 1 0 499.679 2.847 20 0 JFADRO CCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292929704 1065619854 /nfs/dbraw/zinc/61/98/54/1065619854.db2.gz NOJJZAQKTCBBAQ-NRFANRHFSA-N 1 0 460.589 2.644 20 0 JFADRO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292932998 1065622693 /nfs/dbraw/zinc/62/26/93/1065622693.db2.gz NSXBZNQFAMODST-LJQANCHMSA-N 1 0 464.655 2.961 20 0 JFADRO CCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCOc1cccc(C(F)(F)F)n1 ZINC001292960662 1065639422 /nfs/dbraw/zinc/63/94/22/1065639422.db2.gz FWOLNHDKQMAIKH-UHFFFAOYSA-N 1 0 468.524 2.882 20 0 JFADRO CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001292961062 1065641148 /nfs/dbraw/zinc/64/11/48/1065641148.db2.gz RUIMDNXBDGXUHN-JOCHJYFZSA-N 1 0 470.666 2.513 20 0 JFADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001292961354 1065642104 /nfs/dbraw/zinc/64/21/04/1065642104.db2.gz YJDPPYXVGMCZSB-OYRHEFFESA-N 1 0 460.667 2.959 20 0 JFADRO CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292962767 1065645222 /nfs/dbraw/zinc/64/52/22/1065645222.db2.gz IZLTVUMUSJAWKW-RTBURBONSA-N 1 0 460.589 2.908 20 0 JFADRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CC1 ZINC001292966705 1065646610 /nfs/dbraw/zinc/64/66/10/1065646610.db2.gz OOQWKICXLASTER-UHFFFAOYSA-N 1 0 456.562 2.847 20 0 JFADRO CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292969961 1065649484 /nfs/dbraw/zinc/64/94/84/1065649484.db2.gz DDPQWAMEKZXKRW-FQEVSTJZSA-N 1 0 466.627 2.533 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001292977355 1065656811 /nfs/dbraw/zinc/65/68/11/1065656811.db2.gz DQFIGBMQHJQVIJ-UHFFFAOYSA-N 1 0 481.689 2.821 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001292978793 1065659890 /nfs/dbraw/zinc/65/98/90/1065659890.db2.gz XIMLXAVBIVBWDY-LJQANCHMSA-N 1 0 487.718 2.883 20 0 JFADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001292979121 1065660437 /nfs/dbraw/zinc/66/04/37/1065660437.db2.gz LSECOMHBMIDPDJ-UHFFFAOYSA-N 1 0 453.635 2.842 20 0 JFADRO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001292980743 1065664518 /nfs/dbraw/zinc/66/45/18/1065664518.db2.gz YXNICFCRISVWQR-RTWAWAEBSA-N 1 0 473.597 2.617 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292980775 1065665133 /nfs/dbraw/zinc/66/51/33/1065665133.db2.gz ZWEMCZUAFHGEIE-UHFFFAOYSA-N 1 0 460.648 2.536 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001292984852 1065667943 /nfs/dbraw/zinc/66/79/43/1065667943.db2.gz AYRBZJCVBFEUAC-OXJNMPFZSA-N 1 0 466.677 2.503 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001292984855 1065667990 /nfs/dbraw/zinc/66/79/90/1065667990.db2.gz AYRBZJCVBFEUAC-OXQOHEQNSA-N 1 0 466.677 2.503 20 0 JFADRO CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC001292985131 1065668826 /nfs/dbraw/zinc/66/88/26/1065668826.db2.gz CLKOTEUBTMJAFV-URXFXBBRSA-N 1 0 452.599 2.666 20 0 JFADRO CCc1nnc(N2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001292986598 1065671829 /nfs/dbraw/zinc/67/18/29/1065671829.db2.gz FAHIHIJFZRYIGW-OFVILXPXSA-N 1 0 489.064 2.621 20 0 JFADRO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001292991108 1065677720 /nfs/dbraw/zinc/67/77/20/1065677720.db2.gz HONPKQZLMACWCE-HSZRJFAPSA-N 1 0 493.612 2.694 20 0 JFADRO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001292991479 1065678503 /nfs/dbraw/zinc/67/85/03/1065678503.db2.gz MSFKYEVACUDUQF-GOSISDBHSA-N 1 0 464.014 2.689 20 0 JFADRO CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC001293026318 1065698411 /nfs/dbraw/zinc/69/84/11/1065698411.db2.gz AFYMRDYGIVCSEC-CTNGQTDRSA-N 1 0 462.664 2.560 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC001293027332 1065699728 /nfs/dbraw/zinc/69/97/28/1065699728.db2.gz KUAMWICWYKFPGO-FQEVSTJZSA-N 1 0 488.702 2.785 20 0 JFADRO CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001293044508 1065709426 /nfs/dbraw/zinc/70/94/26/1065709426.db2.gz KWPKSZNKTJZGGE-VXKWHMMOSA-N 1 0 453.635 2.864 20 0 JFADRO CCc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001293047235 1065710636 /nfs/dbraw/zinc/71/06/36/1065710636.db2.gz JDTCYCUMEWLUCE-GOSISDBHSA-N 1 0 455.694 2.606 20 0 JFADRO CCc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001293062946 1065716254 /nfs/dbraw/zinc/71/62/54/1065716254.db2.gz VLKCMSRPZFJVDL-NHCUHLMSSA-N 1 0 454.619 2.692 20 0 JFADRO COC(=O)COc1c(C)cc(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1C ZINC001293065851 1065717083 /nfs/dbraw/zinc/71/70/83/1065717083.db2.gz NGDREJQPRDUHSR-UHFFFAOYSA-N 1 0 453.583 2.745 20 0 JFADRO CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCc1ccc(OC)c(OC)c1 ZINC001293070172 1065723366 /nfs/dbraw/zinc/72/33/66/1065723366.db2.gz CMOQRBJLBODORS-UHFFFAOYSA-N 1 0 453.591 2.546 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 ZINC001293071031 1065724179 /nfs/dbraw/zinc/72/41/79/1065724179.db2.gz GIUSUTLWRIINBR-NJYVYQBISA-N 1 0 455.640 2.998 20 0 JFADRO C[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1)[C@H]1CCSC1 ZINC001293074761 1065726724 /nfs/dbraw/zinc/72/67/24/1065726724.db2.gz OTDMAUIDIXPOMS-GOTSBHOMSA-N 1 0 455.599 2.875 20 0 JFADRO CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001293076484 1065727451 /nfs/dbraw/zinc/72/74/51/1065727451.db2.gz KDVWJKKKXKLKGT-OAQYLSRUSA-N 1 0 498.676 2.919 20 0 JFADRO CCCCN(C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001293078723 1065728684 /nfs/dbraw/zinc/72/86/84/1065728684.db2.gz GZOXRYFRAFHSLB-UHFFFAOYSA-N 1 0 457.619 2.746 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001293081136 1065730116 /nfs/dbraw/zinc/73/01/16/1065730116.db2.gz FHZDNCLZUULHCY-GOSISDBHSA-N 1 0 492.043 2.621 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001293083205 1065733622 /nfs/dbraw/zinc/73/36/22/1065733622.db2.gz KEOAYUPOLZUQFP-RBBKRZOGSA-N 1 0 454.619 2.579 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293093734 1065742485 /nfs/dbraw/zinc/74/24/85/1065742485.db2.gz IXLNUMQSLRGZNJ-IRLDBZIGSA-N 1 0 456.635 2.579 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001293095496 1065745368 /nfs/dbraw/zinc/74/53/68/1065745368.db2.gz RIWSBSOJSPQTPM-QFIPXVFZSA-N 1 0 473.710 2.732 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001293097059 1065747521 /nfs/dbraw/zinc/74/75/21/1065747521.db2.gz YDMPYXZFGSXOMQ-SFHVURJKSA-N 1 0 462.589 2.849 20 0 JFADRO CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001293104796 1065752367 /nfs/dbraw/zinc/75/23/67/1065752367.db2.gz SSFIMQHPXPKNDR-IBGZPJMESA-N 1 0 456.620 2.572 20 0 JFADRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC001293107509 1065753908 /nfs/dbraw/zinc/75/39/08/1065753908.db2.gz MDHATDWDYBNHMD-XMMPIXPASA-N 1 0 453.583 2.932 20 0 JFADRO CCc1nnc(N2CCN(c3ncc(Cl)cc3Cl)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001293110917 1065755822 /nfs/dbraw/zinc/75/58/22/1065755822.db2.gz HWKPDBKIVGHDDE-KRWDZBQOSA-N 1 0 481.476 2.895 20 0 JFADRO CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293111221 1065757044 /nfs/dbraw/zinc/75/70/44/1065757044.db2.gz NAQNNLHQXIHDQE-SFHVURJKSA-N 1 0 456.620 2.639 20 0 JFADRO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@@H](c1ccccc1)[NH+](CC)CC ZINC001293111758 1065758413 /nfs/dbraw/zinc/75/84/13/1065758413.db2.gz YMPBCUCRATWWGE-QFIPXVFZSA-N 1 0 476.629 2.744 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293115958 1065762098 /nfs/dbraw/zinc/76/20/98/1065762098.db2.gz IHQBRHNNZNGNTA-ZLNRFVROSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001293117293 1065765120 /nfs/dbraw/zinc/76/51/20/1065765120.db2.gz ZYUKRCMESJBWGJ-ZRBLBEILSA-N 1 0 473.710 2.587 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[N@H+]1CCCC[C@@H]1CC ZINC001293118902 1065766428 /nfs/dbraw/zinc/76/64/28/1065766428.db2.gz FYKKGNZVMFEZBE-ZRBLBEILSA-N 1 0 473.710 2.732 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001293119542 1065767192 /nfs/dbraw/zinc/76/71/92/1065767192.db2.gz KNGUFWYQMXPUKU-UHFFFAOYSA-N 1 0 481.689 2.865 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1C[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC001293119532 1065767225 /nfs/dbraw/zinc/76/72/25/1065767225.db2.gz KJXDUHYDBZBBKP-RTWAWAEBSA-N 1 0 471.650 2.697 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001293119613 1065767660 /nfs/dbraw/zinc/76/76/60/1065767660.db2.gz LMICBISDVOIRTL-GMAHTHKFSA-N 1 0 467.662 2.666 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001293119962 1065768469 /nfs/dbraw/zinc/76/84/69/1065768469.db2.gz OTQIHIRMJAXXCX-SZPZYZBQSA-N 1 0 461.699 2.586 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001293120223 1065768881 /nfs/dbraw/zinc/76/88/81/1065768881.db2.gz FUFAEUFYHGBNQF-UHFFFAOYSA-N 1 0 473.710 2.922 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001293121055 1065771063 /nfs/dbraw/zinc/77/10/63/1065771063.db2.gz WCDGLOZBNBZIEH-HSZRJFAPSA-N 1 0 485.652 2.807 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293123106 1065775737 /nfs/dbraw/zinc/77/57/37/1065775737.db2.gz FGIYTCBPZYYKOK-JOCHJYFZSA-N 1 0 470.662 2.667 20 0 JFADRO CCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001293123668 1065776722 /nfs/dbraw/zinc/77/67/22/1065776722.db2.gz KXZAQKMCGCLFPP-FQEVSTJZSA-N 1 0 472.634 2.999 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1ccc(F)cc1C ZINC001293130591 1065781840 /nfs/dbraw/zinc/78/18/40/1065781840.db2.gz INFVBFCJPIUAEV-QHCPKHFHSA-N 1 0 458.626 2.762 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1Cc1ccc(OC)c(OC)c1OC ZINC001293130829 1065782228 /nfs/dbraw/zinc/78/22/28/1065782228.db2.gz KFMCBRYEJVGNAW-WOJBJXKFSA-N 1 0 486.661 2.909 20 0 JFADRO CCc1nnc(N2CCN(CCOc3ccccc3Cl)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001293135199 1065786020 /nfs/dbraw/zinc/78/60/20/1065786020.db2.gz AXKJWTOVSUQNED-HXUWFJFHSA-N 1 0 477.053 2.663 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)n1CCCC[N@@H+]1CCCC[C@H]1C ZINC001293139411 1065790099 /nfs/dbraw/zinc/79/00/99/1065790099.db2.gz RPZXKEPDZJRNQF-GOSISDBHSA-N 1 0 495.719 2.771 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001293173464 1065800986 /nfs/dbraw/zinc/80/09/86/1065800986.db2.gz LOJFPGVKKIPEKO-BZSNNMDCSA-N 1 0 450.628 2.832 20 0 JFADRO CCc1noc([C@H](C)N2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](C)C)CC2)n1 ZINC001293186446 1065810780 /nfs/dbraw/zinc/81/07/80/1065810780.db2.gz DQTJSKCLMFJNAG-ROUUACIJSA-N 1 0 470.597 2.787 20 0 JFADRO COCCN(CC[NH+](C)C)C(=O)c1cc(I)ccc1Br ZINC001293188648 1065813671 /nfs/dbraw/zinc/81/36/71/1065813671.db2.gz REDSYBHJIHIGEM-UHFFFAOYSA-N 1 0 455.134 2.704 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc([C@@H]4CCOC4)n3CC[N@@H+](CC)C(C)C)CC2)n1 ZINC001293207041 1065833748 /nfs/dbraw/zinc/83/37/48/1065833748.db2.gz FPNMUXBJMAKTPI-GOSISDBHSA-N 1 0 462.668 2.643 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(Cc4ccncc4)n3CC[N@@H+](C)[C@H](C)CC)CC2)n1 ZINC001293208514 1065839822 /nfs/dbraw/zinc/83/98/22/1065839822.db2.gz PLYKATOXRIZOQO-GOSISDBHSA-N 1 0 469.663 2.735 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC001293208578 1065839835 /nfs/dbraw/zinc/83/98/35/1065839835.db2.gz NGDDBWXWLSEJNX-GOSISDBHSA-N 1 0 476.695 2.673 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc(C)n3CC3(SC)CC[NH+](C)CC3)CC2)n1 ZINC001293209337 1065843939 /nfs/dbraw/zinc/84/39/39/1065843939.db2.gz ZBTTUUYDNYKRCS-UHFFFAOYSA-N 1 0 450.682 2.545 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC[NH+]1CCSCC1 ZINC001293214517 1065847692 /nfs/dbraw/zinc/84/76/92/1065847692.db2.gz BIZGVLJGUWQCKQ-WOJBJXKFSA-N 1 0 472.659 2.799 20 0 JFADRO Cc1c(Br)ccc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1N ZINC001293215724 1065852657 /nfs/dbraw/zinc/85/26/57/1065852657.db2.gz UPAVFJUIFWVUFW-QGZVFWFLSA-N 1 0 459.388 2.967 20 0 JFADRO Cc1c(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)sc2nc(C)nc(N)c12 ZINC001293215779 1065853169 /nfs/dbraw/zinc/85/31/69/1065853169.db2.gz WBGIYPKRJUHLOQ-KRWDZBQOSA-N 1 0 452.584 2.518 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)cn2C)n1CCC1CC[NH+](CC)CC1 ZINC001293217721 1065859714 /nfs/dbraw/zinc/85/97/14/1065859714.db2.gz HVNCSRUEBRHFKM-GOSISDBHSA-N 1 0 492.466 2.883 20 0 JFADRO CC1(C)C[N@@H+](C2(CNC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCO1 ZINC001293218300 1065861943 /nfs/dbraw/zinc/86/19/43/1065861943.db2.gz CMWNXWIGPDLGQF-UHFFFAOYSA-N 1 0 458.024 2.548 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001293219358 1065866019 /nfs/dbraw/zinc/86/60/19/1065866019.db2.gz RFRJEIAYPAPQAP-HLAWJBBLSA-N 1 0 462.639 2.514 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001293219355 1065866099 /nfs/dbraw/zinc/86/60/99/1065866099.db2.gz RFRJEIAYPAPQAP-CEWLAPEOSA-N 1 0 462.639 2.514 20 0 JFADRO CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC001293220039 1065868835 /nfs/dbraw/zinc/86/88/35/1065868835.db2.gz QSTOCENPYLQVLA-IBGZPJMESA-N 1 0 453.624 2.942 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(Cl)c2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001293220122 1065869286 /nfs/dbraw/zinc/86/92/86/1065869286.db2.gz QUQLHMFGJSUKJD-RXVVDRJESA-N 1 0 474.053 2.587 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(Br)c2)n1C[C@@H]1CCC[N@@H+]1CC ZINC001293220977 1065873645 /nfs/dbraw/zinc/87/36/45/1065873645.db2.gz VYOYWCSWQZONLS-ZWKOTPCHSA-N 1 0 461.408 2.907 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[NH+]1CCCCC1 ZINC001293221410 1065875756 /nfs/dbraw/zinc/87/57/56/1065875756.db2.gz YXIIPGDKDRWSEP-NRFANRHFSA-N 1 0 456.591 2.553 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1CC[NH+](CC)CC1 ZINC001293229803 1065885580 /nfs/dbraw/zinc/88/55/80/1065885580.db2.gz WXENVNTWUNKBBI-HXUWFJFHSA-N 1 0 470.618 2.799 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccn2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293238586 1065894442 /nfs/dbraw/zinc/89/44/42/1065894442.db2.gz GPCXKKLYHBWQLQ-ZVDOUQERSA-N 1 0 453.635 2.735 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001293240119 1065896912 /nfs/dbraw/zinc/89/69/12/1065896912.db2.gz WUDTUWDMOBUOOS-IRLDBZIGSA-N 1 0 468.646 2.960 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293240706 1065898928 /nfs/dbraw/zinc/89/89/28/1065898928.db2.gz FTHXARDGOQRFRJ-RTWAWAEBSA-N 1 0 466.586 2.683 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293241146 1065899869 /nfs/dbraw/zinc/89/98/69/1065899869.db2.gz JQTSMKCKEBPNPT-MSOLQXFVSA-N 1 0 459.645 2.713 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293241148 1065900009 /nfs/dbraw/zinc/90/00/09/1065900009.db2.gz JQTSMKCKEBPNPT-ROUUACIJSA-N 1 0 459.645 2.713 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001293243757 1065907141 /nfs/dbraw/zinc/90/71/41/1065907141.db2.gz BEHZHFDYCCXARM-AQNXPRMDSA-N 1 0 489.665 2.797 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)[NH+](CC)CC ZINC001293244174 1065907890 /nfs/dbraw/zinc/90/78/90/1065907890.db2.gz CFCZDXBZGXEDNG-QRVBRYPASA-N 1 0 477.654 2.795 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2F)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293247798 1065912531 /nfs/dbraw/zinc/91/25/31/1065912531.db2.gz QDRATPSGERHNMM-AZUAARDMSA-N 1 0 458.582 2.976 20 0 JFADRO CC[C@@H]1[C@@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293254545 1065918480 /nfs/dbraw/zinc/91/84/80/1065918480.db2.gz ZCGDQCUDSNIEND-RBUKOAKNSA-N 1 0 454.623 2.576 20 0 JFADRO COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC ZINC001293255472 1065919997 /nfs/dbraw/zinc/91/99/97/1065919997.db2.gz VYRJYCAGWUUTCC-YTQUADARSA-N 1 0 458.603 2.539 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293257611 1065921707 /nfs/dbraw/zinc/92/17/07/1065921707.db2.gz MSDFPRHCACYJTN-SYYKKAFVSA-N 1 0 475.659 2.820 20 0 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CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 ZINC001293360740 1065964568 /nfs/dbraw/zinc/96/45/68/1065964568.db2.gz SUAXIWOHWSNNLY-NRFANRHFSA-N 1 0 496.660 2.885 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001293362649 1065966264 /nfs/dbraw/zinc/96/62/64/1065966264.db2.gz FTEIIZIMYFXRTI-NVXWUHKLSA-N 1 0 478.439 2.967 20 0 JFADRO O=C(COc1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC001293362923 1065966734 /nfs/dbraw/zinc/96/67/34/1065966734.db2.gz PQFVIOHBZLLFBH-LJQANCHMSA-N 1 0 450.377 2.516 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293364271 1065968496 /nfs/dbraw/zinc/96/84/96/1065968496.db2.gz MZHFQYHQBDRERX-FUHWJXTLSA-N 1 0 492.466 2.978 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001293364644 1065969449 /nfs/dbraw/zinc/96/94/49/1065969449.db2.gz GQXNNRQMHXPTPT-MOPGFXCFSA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001293366266 1065971703 /nfs/dbraw/zinc/97/17/03/1065971703.db2.gz YQRSZMTVRSBTFE-FQEVSTJZSA-N 1 0 458.607 2.842 20 0 JFADRO C[C@@H]([NH2+]C1(CNC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CCOCC1)c1ccccc1 ZINC001293372073 1065975575 /nfs/dbraw/zinc/97/55/75/1065975575.db2.gz OTXKJKZSQVIKCU-QUCCMNQESA-N 1 0 458.580 2.628 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001293373096 1065976930 /nfs/dbraw/zinc/97/69/30/1065976930.db2.gz PCUDFOZYOHKRLY-PZJWPPBQSA-N 1 0 473.666 2.898 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001293373764 1065978725 /nfs/dbraw/zinc/97/87/25/1065978725.db2.gz ROMXRLFLFFNGST-QFIPXVFZSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001293373837 1065978839 /nfs/dbraw/zinc/97/88/39/1065978839.db2.gz RZDSIDBTYWITDO-VAMGGRTRSA-N 1 0 489.665 2.987 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCC(N)=O)CC1 ZINC001293373761 1065978887 /nfs/dbraw/zinc/97/88/87/1065978887.db2.gz RNHFUOVZHGPYPP-JOCHJYFZSA-N 1 0 470.666 2.886 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293374259 1065980261 /nfs/dbraw/zinc/98/02/61/1065980261.db2.gz VLZSQFZDCRBDIC-DHIUTWEWSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001293374895 1065980693 /nfs/dbraw/zinc/98/06/93/1065980693.db2.gz YNUFCDPAXOEUFF-NJYVYQBISA-N 1 0 482.695 2.550 20 0 JFADRO CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001293378574 1065982648 /nfs/dbraw/zinc/98/26/48/1065982648.db2.gz TYGGRCIIDFNEBG-UXHICEINSA-N 1 0 455.607 2.789 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001293379859 1065984612 /nfs/dbraw/zinc/98/46/12/1065984612.db2.gz VBFLACCMIASPMA-ATIYNZHBSA-N 1 0 490.693 2.936 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 ZINC001293380521 1065984918 /nfs/dbraw/zinc/98/49/18/1065984918.db2.gz ZMZXFFQLGGLMSN-PWRODBHTSA-N 1 0 475.682 2.923 20 0 JFADRO C[C@H](C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)n1ccnc1 ZINC001293382890 1065985313 /nfs/dbraw/zinc/98/53/13/1065985313.db2.gz JHKMZEORTSVCSB-MRXNPFEDSA-N 1 0 452.372 2.622 20 0 JFADRO CC[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC001293432596 1066004895 /nfs/dbraw/zinc/00/48/95/1066004895.db2.gz WOIQHISTLUGSBU-YPAWHYETSA-N 1 0 490.674 2.601 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC001293456998 1066013825 /nfs/dbraw/zinc/01/38/25/1066013825.db2.gz ZZEJVOODJUPHAB-QRVBRYPASA-N 1 0 464.636 2.945 20 0 JFADRO CC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC001293457086 1066013868 /nfs/dbraw/zinc/01/38/68/1066013868.db2.gz SHRCZJWQDJOXJV-RQTOMXEWSA-N 1 0 462.683 2.829 20 0 JFADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001293461293 1066015194 /nfs/dbraw/zinc/01/51/94/1066015194.db2.gz CZDUMNQXKNCZMP-VQTJNVASSA-N 1 0 474.675 2.611 20 0 JFADRO CC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2CC[NH+](CCN(C)C)CC2)C1 ZINC001293462352 1066015419 /nfs/dbraw/zinc/01/54/19/1066015419.db2.gz JVVKJERGVNATJH-HXUWFJFHSA-N 1 0 488.702 2.859 20 0 JFADRO CC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293464983 1066016809 /nfs/dbraw/zinc/01/68/09/1066016809.db2.gz UXYYGISOFSDHEN-IBGZPJMESA-N 1 0 475.659 2.820 20 0 JFADRO CCC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001293485629 1066022998 /nfs/dbraw/zinc/02/29/98/1066022998.db2.gz SKCUZTVYDLSJJC-UNMCSNQZSA-N 1 0 496.722 2.750 20 0 JFADRO CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC001293491041 1066025094 /nfs/dbraw/zinc/02/50/94/1066025094.db2.gz IBPURGQOKTZVAZ-INIZCTEOSA-N 1 0 457.604 2.784 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nc(C)cs2)CC[N@@H+]1CCOC ZINC001293505557 1066029071 /nfs/dbraw/zinc/02/90/71/1066029071.db2.gz HCSCKEYXQOXZIR-IEBWSBKVSA-N 1 0 475.663 2.630 20 0 JFADRO CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3ncccc3c2)CC[N@@H+]1CCOC ZINC001293507151 1066031374 /nfs/dbraw/zinc/03/13/74/1066031374.db2.gz IARFPSBEVRMLOI-OAQYLSRUSA-N 1 0 465.602 2.560 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CC[N@@H+]1CCOC ZINC001293510531 1066035763 /nfs/dbraw/zinc/03/57/63/1066035763.db2.gz SGPRYQYLDFEJAU-IBGZPJMESA-N 1 0 476.572 2.582 20 0 JFADRO CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CC[NH+](CC)CC2)CCO1 ZINC001293511508 1066037855 /nfs/dbraw/zinc/03/78/55/1066037855.db2.gz WRSJLMVENCOANL-QHCPKHFHSA-N 1 0 483.661 2.790 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2Cc2nncn2C)CC[N@@H+]1CCOC ZINC001293523003 1066044489 /nfs/dbraw/zinc/04/44/89/1066044489.db2.gz HJNRVRJTSRXAKQ-PKOBYXMFSA-N 1 0 489.024 2.795 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)O)CC[N@@H+]1CCOC ZINC001293537718 1066055102 /nfs/dbraw/zinc/05/51/02/1066055102.db2.gz RJDRUGGQARFJPD-LJQANCHMSA-N 1 0 453.591 2.653 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)C[NH+]2CCCC2)CCO1 ZINC001293538915 1066056505 /nfs/dbraw/zinc/05/65/05/1066056505.db2.gz GXQNREXKAJTAGP-PZJWPPBQSA-N 1 0 490.674 2.543 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](CC)CC)C[C@H](C)O1 ZINC001293539726 1066058559 /nfs/dbraw/zinc/05/85/59/1066058559.db2.gz LLPTYTZWULPMEU-SVFBPWRDSA-N 1 0 492.690 2.929 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC[NH+]2CCSCC2)CCO1 ZINC001293542142 1066061908 /nfs/dbraw/zinc/06/19/08/1066061908.db2.gz RXZYZWRFHIEBDV-SFHVURJKSA-N 1 0 477.631 2.635 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293551047 1066066930 /nfs/dbraw/zinc/06/69/30/1066066930.db2.gz DPNAVIYMHAKLAY-RTWAWAEBSA-N 1 0 464.010 2.951 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CCOCC2)CC[N@@H+]1CCOC ZINC001293552148 1066067221 /nfs/dbraw/zinc/06/72/21/1066067221.db2.gz KQRYNWWTRYDWMP-IBGZPJMESA-N 1 0 494.036 2.696 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293552402 1066067459 /nfs/dbraw/zinc/06/74/59/1066067459.db2.gz NTPXMJBHLDDZMZ-MSOLQXFVSA-N 1 0 467.973 2.700 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)CC[N@@H+]1CCOC ZINC001293552404 1066067577 /nfs/dbraw/zinc/06/75/77/1066067577.db2.gz NTPXMJBHLDDZMZ-ROUUACIJSA-N 1 0 467.973 2.700 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccc4cccnc43)n2CCNC(=O)C(C)C)CC[N@@H+]1CCOC ZINC001293559916 1066074739 /nfs/dbraw/zinc/07/47/39/1066074739.db2.gz GNPQIKIJNOVXCS-NRFANRHFSA-N 1 0 479.629 2.813 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001293572218 1066083741 /nfs/dbraw/zinc/08/37/41/1066083741.db2.gz RIECKVOHQHWDOB-DHLKQENFSA-N 1 0 468.577 2.934 20 0 JFADRO CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+](CC)CC)C[C@H]1N1CCOCC1 ZINC001293577556 1066087799 /nfs/dbraw/zinc/08/77/99/1066087799.db2.gz FLKMZKLCBMJQEB-QZNHQXDQSA-N 1 0 455.651 2.926 20 0 JFADRO CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2c(C)noc2C)CC[N@@H+]1CCOC ZINC001293577786 1066088319 /nfs/dbraw/zinc/08/83/19/1066088319.db2.gz XZBDJECOQJDQOE-LPHOPBHVSA-N 1 0 454.579 2.691 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)ccc2OC(F)F)CC[N@@H+]1CCOC ZINC001293583203 1066092745 /nfs/dbraw/zinc/09/27/45/1066092745.db2.gz NFZCUYLPEGQLTQ-RTBURBONSA-N 1 0 492.571 2.734 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC[N@@H+]1CCOC ZINC001293584056 1066093473 /nfs/dbraw/zinc/09/34/73/1066093473.db2.gz KYGBIKWXECYBFB-RTWAWAEBSA-N 1 0 472.609 2.893 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2cccc(F)c2)CC[N@@H+]1CCOC ZINC001293584055 1066093510 /nfs/dbraw/zinc/09/35/10/1066093510.db2.gz KYGBIKWXECYBFB-NHCUHLMSSA-N 1 0 472.609 2.893 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CC[N@H+](C)C2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001293587999 1066096177 /nfs/dbraw/zinc/09/61/77/1066096177.db2.gz SLSJXCAKJPLBLW-LWIATZKVSA-N 1 0 492.665 2.716 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CC[N@H+](C)CCCOC)CCO1 ZINC001293593987 1066100018 /nfs/dbraw/zinc/10/00/18/1066100018.db2.gz GMZGOQCJJWPCAF-NHCUHLMSSA-N 1 0 494.681 2.976 20 0 JFADRO CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC[N@@H+]1CCOC ZINC001293595465 1066104231 /nfs/dbraw/zinc/10/42/31/1066104231.db2.gz SCIPZVWURIZNLI-YADHBBJMSA-N 1 0 456.635 2.638 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cccs2)CC[N@@H+]1CCOC ZINC001293596123 1066106562 /nfs/dbraw/zinc/10/65/62/1066106562.db2.gz QCQOPQIKYZGTGW-RTBURBONSA-N 1 0 476.647 2.558 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC001293597432 1066109435 /nfs/dbraw/zinc/10/94/35/1066109435.db2.gz SXBPGNKOQYMGMP-PKTZIBPZSA-N 1 0 484.645 2.805 20 0 JFADRO CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001293597451 1066110135 /nfs/dbraw/zinc/11/01/35/1066110135.db2.gz SZQHBVFGTRZLFT-QFZWGZQFSA-N 1 0 457.619 2.627 20 0 JFADRO CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC001293609631 1066124795 /nfs/dbraw/zinc/12/47/95/1066124795.db2.gz RLCCTOTUKVDSLW-DNVJHFABSA-N 1 0 462.683 2.525 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC(C)(C)C(=O)NC)CC[N@@H+]1CCOC ZINC001293610846 1066126620 /nfs/dbraw/zinc/12/66/20/1066126620.db2.gz VZHVRDIJDNDMQV-HXUWFJFHSA-N 1 0 477.053 2.842 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCc2nccnc2C)CC[N@@H+]1CCOC ZINC001293619361 1066135537 /nfs/dbraw/zinc/13/55/37/1066135537.db2.gz BFTVVRQIGNEYJQ-HXUWFJFHSA-N 1 0 455.632 2.819 20 0 JFADRO CC[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2c(C)nn(C)c2C)CC[N@@H+]1CCOC ZINC001293619939 1066136952 /nfs/dbraw/zinc/13/69/52/1066136952.db2.gz DUHSXTKKYGYUQI-FQEVSTJZSA-N 1 0 457.648 2.876 20 0 JFADRO C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)c2cc3c([nH]c2=O)CCOC3)CC1 ZINC001293621879 1066138179 /nfs/dbraw/zinc/13/81/79/1066138179.db2.gz NXAVUJHLUDKHPX-UHFFFAOYSA-N 1 0 450.461 2.561 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CC)C1)[NH+]1CCOCC1 ZINC001293632249 1066146155 /nfs/dbraw/zinc/14/61/55/1066146155.db2.gz SMSFTBOYNCBDCB-GOTSBHOMSA-N 1 0 473.666 2.892 20 0 JFADRO CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2cc(C)oc2C)CC[N@@H+]1CCOC ZINC001293632886 1066147632 /nfs/dbraw/zinc/14/76/32/1066147632.db2.gz XMHHHQMYQTXYLV-ATIYNZHBSA-N 1 0 499.660 2.804 20 0 JFADRO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](Oc2ccc(Cl)cc2)c2ccccc2)cn1 ZINC001293633625 1066148737 /nfs/dbraw/zinc/14/87/37/1066148737.db2.gz QXCIUAZQALJQBN-QFIPXVFZSA-N 1 0 455.946 2.973 20 0 JFADRO CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2ccccc2)CC[N@@H+]1CCOC ZINC001293653786 1066166405 /nfs/dbraw/zinc/16/64/05/1066166405.db2.gz QKCQXSRITYAZHP-LEWJYISDSA-N 1 0 456.591 2.705 20 0 JFADRO CC/C=C\Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001293664842 1066169466 /nfs/dbraw/zinc/16/94/66/1066169466.db2.gz IKFRLYFSYJKQOY-YVMONPNESA-N 1 0 466.634 2.886 20 0 JFADRO CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cnn2c1 ZINC001293670296 1066171303 /nfs/dbraw/zinc/17/13/03/1066171303.db2.gz CDIRUYWDIQTNPJ-IBGZPJMESA-N 1 0 456.591 2.887 20 0 JFADRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)CC1 ZINC001293688643 1066174568 /nfs/dbraw/zinc/17/45/68/1066174568.db2.gz GNROUDWKCOIRDN-UHFFFAOYSA-N 1 0 453.587 2.876 20 0 JFADRO CC/C=C/Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001293712435 1066180216 /nfs/dbraw/zinc/18/02/16/1066180216.db2.gz RBPLQUWBAWRZNE-FERLCFGISA-N 1 0 452.603 2.587 20 0 JFADRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC001293715639 1066180649 /nfs/dbraw/zinc/18/06/49/1066180649.db2.gz GWCKZYUDSUDOJY-KRWDZBQOSA-N 1 0 459.344 2.601 20 0 JFADRO CC/C=C/Cn1c(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001293726205 1066185172 /nfs/dbraw/zinc/18/51/72/1066185172.db2.gz PPYZIWZLOWRAGN-PVDAQWQPSA-N 1 0 460.667 2.891 20 0 JFADRO C[C@@H](NC(=O)c1cc(I)c(Cl)cc1Cl)[C@@H]1C[N@H+](C)CCN1C ZINC001293745382 1066215046 /nfs/dbraw/zinc/21/50/46/1066215046.db2.gz PGHOOIDWYSTOOM-OTYXRUKQSA-N 1 0 456.155 2.962 20 0 JFADRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)[NH+](C)C)C1 ZINC001293746174 1066216634 /nfs/dbraw/zinc/21/66/34/1066216634.db2.gz YSGWMXBQLNNHCY-PKOBYXMFSA-N 1 0 458.607 2.798 20 0 JFADRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C1 ZINC001293748473 1066219416 /nfs/dbraw/zinc/21/94/16/1066219416.db2.gz JIOGNGJBZZVNOV-MBSDFSHPSA-N 1 0 457.648 2.663 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001293761032 1066244513 /nfs/dbraw/zinc/24/45/13/1066244513.db2.gz FJUHODIFZDXQTB-UHFFFAOYSA-N 1 0 461.655 2.566 20 0 JFADRO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC001293770107 1066259719 /nfs/dbraw/zinc/25/97/19/1066259719.db2.gz HFLYNNRMIBRRDC-UHFFFAOYSA-N 1 0 457.596 2.759 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001293774067 1066264737 /nfs/dbraw/zinc/26/47/37/1066264737.db2.gz HSTRHSYFGZLVDW-HSZRJFAPSA-N 1 0 483.661 2.890 20 0 JFADRO CCCC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001293779209 1066272645 /nfs/dbraw/zinc/27/26/45/1066272645.db2.gz BLYGQFKHYUAERR-LJQANCHMSA-N 1 0 470.666 2.757 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001293786054 1066286769 /nfs/dbraw/zinc/28/67/69/1066286769.db2.gz DJSVVYXCHFUAHS-GMAHTHKFSA-N 1 0 483.661 2.830 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C1 ZINC001293786969 1066290500 /nfs/dbraw/zinc/29/05/00/1066290500.db2.gz OOGPOMCQNAWQFN-JOCHJYFZSA-N 1 0 478.645 2.921 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001293789167 1066297104 /nfs/dbraw/zinc/29/71/04/1066297104.db2.gz NOAHFIHPHBSJHZ-NNWRFLSQSA-N 1 0 487.693 2.872 20 0 JFADRO CCCC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001293790018 1066298967 /nfs/dbraw/zinc/29/89/67/1066298967.db2.gz VMGSVFIUHZSZEF-SLFFLAALSA-N 1 0 458.607 2.811 20 0 JFADRO CCCC(=O)NC[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001293790319 1066299423 /nfs/dbraw/zinc/29/94/23/1066299423.db2.gz XANLTTHWVWRXAL-NHCUHLMSSA-N 1 0 462.683 2.968 20 0 JFADRO CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001293798256 1066309106 /nfs/dbraw/zinc/30/91/06/1066309106.db2.gz QLHAORSXFRKGTR-SANMLTNESA-N 1 0 484.645 2.999 20 0 JFADRO CCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293798546 1066309569 /nfs/dbraw/zinc/30/95/69/1066309569.db2.gz SRWFPLAUHXRAPL-HOFKKMOUSA-N 1 0 497.688 2.915 20 0 JFADRO CCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293804349 1066313480 /nfs/dbraw/zinc/31/34/80/1066313480.db2.gz BIOIRQNHERGLEL-CVDCTZTESA-N 1 0 462.042 2.761 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001293804348 1066313669 /nfs/dbraw/zinc/31/36/69/1066313669.db2.gz BIOIRQNHERGLEL-AUSIDOKSSA-N 1 0 462.042 2.761 20 0 JFADRO CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293817571 1066324940 /nfs/dbraw/zinc/32/49/40/1066324940.db2.gz ISCIPWINULAEFB-SQJMNOBHSA-N 1 0 455.651 2.804 20 0 JFADRO CCC[C@@](C)(O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001293833689 1066338037 /nfs/dbraw/zinc/33/80/37/1066338037.db2.gz GBTJCNPCTIKDIC-NBGIEHNGSA-N 1 0 474.625 2.764 20 0 JFADRO CCC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001293835507 1066339745 /nfs/dbraw/zinc/33/97/45/1066339745.db2.gz KXAOJVILEAJDPY-WXVAWEFUSA-N 1 0 498.672 2.768 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001293848186 1066350458 /nfs/dbraw/zinc/35/04/58/1066350458.db2.gz ONVDPJBNHPOMBX-PMACEKPBSA-N 1 0 482.633 2.542 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001293866128 1066376513 /nfs/dbraw/zinc/37/65/13/1066376513.db2.gz XBEIRFCXDUVNJS-JAXLGGSGSA-N 1 0 476.666 2.762 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001293882874 1066388328 /nfs/dbraw/zinc/38/83/28/1066388328.db2.gz KLEVCPOMYHFHJH-AVRWGWEMSA-N 1 0 467.618 2.614 20 0 JFADRO CCC[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001293890218 1066391656 /nfs/dbraw/zinc/39/16/56/1066391656.db2.gz XSFAEIDJYBOSDR-BQJUDKOJSA-N 1 0 484.711 2.604 20 0 JFADRO CCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001293908361 1066396708 /nfs/dbraw/zinc/39/67/08/1066396708.db2.gz JBXCCCFDZNLEJA-VGSWGCGISA-N 1 0 455.636 2.983 20 0 JFADRO CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC001293912889 1066398305 /nfs/dbraw/zinc/39/83/05/1066398305.db2.gz WGLZSTYGFJYWFJ-FQEVSTJZSA-N 1 0 451.995 2.573 20 0 JFADRO CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001293949227 1066448286 /nfs/dbraw/zinc/44/82/86/1066448286.db2.gz ZIVUPRHERHCIQC-BHDDXSALSA-N 1 0 490.693 2.539 20 0 JFADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001293981497 1066485162 /nfs/dbraw/zinc/48/51/62/1066485162.db2.gz DBEKLZFDNXJTKL-DEOSSOPVSA-N 1 0 451.596 2.686 20 0 JFADRO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001293990939 1066493767 /nfs/dbraw/zinc/49/37/67/1066493767.db2.gz BDDSZXUTANHOMI-MOPGFXCFSA-N 1 0 455.607 2.930 20 0 JFADRO CCCC(O)(CCC)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001293990942 1066494499 /nfs/dbraw/zinc/49/44/99/1066494499.db2.gz BDDSZXUTANHOMI-RTBURBONSA-N 1 0 455.607 2.930 20 0 JFADRO CCCC(O)(CCC)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001294004278 1066503677 /nfs/dbraw/zinc/50/36/77/1066503677.db2.gz URPPLDDMORUIHZ-LJQANCHMSA-N 1 0 459.639 2.699 20 0 JFADRO CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC([NH2+]C(C)C)CC2)CCC1 ZINC001294028500 1066513728 /nfs/dbraw/zinc/51/37/28/1066513728.db2.gz DWZOYCAIMJXGAS-FQEVSTJZSA-N 1 0 482.695 2.548 20 0 JFADRO CCCc1nc(C)c(Cn2c(-c3cnn(C)c3)nnc2N2CC[N@H+](CCOC)[C@@H](CC)C2)o1 ZINC001294043795 1066520606 /nfs/dbraw/zinc/52/06/06/1066520606.db2.gz WJIQVDDLYMCGLT-IBGZPJMESA-N 1 0 456.595 2.523 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)cs2)CC[N@@H+]1CCOC ZINC001294054487 1066526318 /nfs/dbraw/zinc/52/63/18/1066526318.db2.gz HRVFAQHZEVYFAH-SFHVURJKSA-N 1 0 484.630 2.676 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC001294054614 1066526803 /nfs/dbraw/zinc/52/68/03/1066526803.db2.gz KLCFWJCOHRAOTA-FYYLOGMGSA-N 1 0 483.661 2.632 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC(F)(F)F)CC[N@@H+]1CCOC ZINC001294054821 1066527624 /nfs/dbraw/zinc/52/76/24/1066527624.db2.gz OJXZADOEPFJIAT-QGZVFWFLSA-N 1 0 460.545 2.794 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC[N@@H+]1CCOC ZINC001294054989 1066528441 /nfs/dbraw/zinc/52/84/41/1066528441.db2.gz REMXWHQGHIMXCQ-TYBLODHISA-N 1 0 476.666 2.799 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC)CC[N@@H+]1CCOC ZINC001294056182 1066530097 /nfs/dbraw/zinc/53/00/97/1066530097.db2.gz ZWNITBLQMCVYSS-NRFANRHFSA-N 1 0 470.618 2.508 20 0 JFADRO Cc1cnn(-c2cc(C(=O)Nc3ccc(OCCN4CC[NH+](C)CC4)cc3)c(N)cc2F)c1 ZINC001294063746 1066534603 /nfs/dbraw/zinc/53/46/03/1066534603.db2.gz BKTFIOUFQWUUSI-UHFFFAOYSA-N 1 0 452.534 2.781 20 0 JFADRO COc1ccc([C@H](CC(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)NC(C)=O)cc1 ZINC001294064579 1066534940 /nfs/dbraw/zinc/53/49/40/1066534940.db2.gz MUHPYUQHUOINTG-DEOSSOPVSA-N 1 0 454.571 2.527 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC[N@@H+]1CCOC ZINC001294066799 1066536715 /nfs/dbraw/zinc/53/67/15/1066536715.db2.gz JSFDLQZVJKWLLH-OAQYLSRUSA-N 1 0 467.618 2.981 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC001294066947 1066537236 /nfs/dbraw/zinc/53/72/36/1066537236.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 1 0 474.650 2.894 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CC[N@@H+]1CCOC ZINC001294067281 1066537733 /nfs/dbraw/zinc/53/77/33/1066537733.db2.gz HJLQMVNLGKUJCX-QFIPXVFZSA-N 1 0 467.618 2.981 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001294067412 1066538009 /nfs/dbraw/zinc/53/80/09/1066538009.db2.gz IROAOMMWDNHWGH-PKTZIBPZSA-N 1 0 484.645 2.902 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCc2n[nH]c(C)n2)CC[N@@H+]1CCOC ZINC001294072245 1066541101 /nfs/dbraw/zinc/54/11/01/1066541101.db2.gz FBYPYBXTMZQLOF-FQEVSTJZSA-N 1 0 452.607 2.860 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CC[N@@H+]1CCOC ZINC001294076109 1066545054 /nfs/dbraw/zinc/54/50/54/1066545054.db2.gz FPSGDPSQLHOYBY-GOSISDBHSA-N 1 0 463.652 2.585 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001294077860 1066546904 /nfs/dbraw/zinc/54/69/04/1066546904.db2.gz STZJCDTUURTQON-RZUBCFFCSA-N 1 0 459.639 2.821 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294077788 1066546934 /nfs/dbraw/zinc/54/69/34/1066546934.db2.gz MHYCGOYCROWOGG-ZDUSSCGKSA-N 1 0 455.930 2.827 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCCC2(C)C)CC[N@@H+]1CCOC ZINC001294077884 1066547350 /nfs/dbraw/zinc/54/73/50/1066547350.db2.gz TYQRNSJPIILTTC-CYFREDJKSA-N 1 0 457.623 2.613 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001294077861 1066547492 /nfs/dbraw/zinc/54/74/92/1066547492.db2.gz STZJCDTUURTQON-TUNNFDKTSA-N 1 0 459.639 2.821 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CC[N@@H+]1CCOC ZINC001294078067 1066547852 /nfs/dbraw/zinc/54/78/52/1066547852.db2.gz VKJPLQFAAIMWPR-SQJMNOBHSA-N 1 0 465.602 2.580 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(O)cc2)CC[N@@H+]1CCOC ZINC001294078317 1066547961 /nfs/dbraw/zinc/54/79/61/1066547961.db2.gz YJKDNYUXVBXIHB-OAQYLSRUSA-N 1 0 453.591 2.564 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CCc2ccn(C)n2)CC[N@@H+]1CCOC ZINC001294080903 1066549267 /nfs/dbraw/zinc/54/92/67/1066549267.db2.gz GRWKEYSSGSESRS-OAQYLSRUSA-N 1 0 452.607 2.562 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294084147 1066553617 /nfs/dbraw/zinc/55/36/17/1066553617.db2.gz ZACUMUHIYILXBP-FCHUYYIVSA-N 1 0 472.634 2.687 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CC[N@@H+]1CCOC ZINC001294085532 1066555953 /nfs/dbraw/zinc/55/59/53/1066555953.db2.gz UAKBWGWVGNCKLH-MJGOQNOKSA-N 1 0 494.562 2.826 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC001294086055 1066556807 /nfs/dbraw/zinc/55/68/07/1066556807.db2.gz WEIXIRNHFSNATO-QZTJIDSGSA-N 1 0 495.550 2.628 20 0 JFADRO CCC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(Cl)cccc2OC)CC[N@@H+]1CCOC ZINC001294086829 1066558302 /nfs/dbraw/zinc/55/83/02/1066558302.db2.gz YYNFMZIFZZSVBY-PXNSSMCTSA-N 1 0 491.036 2.877 20 0 JFADRO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCC[N@H+](CCNC(=O)c3ccc(F)cc3)C1)CC2 ZINC000033972467 569639438 /nfs/dbraw/zinc/63/94/38/569639438.db2.gz MWLKUSHZNSYRKK-HXUWFJFHSA-N 1 0 469.557 2.870 20 0 in-vitro JFADRO c1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[NH2+]CCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164391432 718824443 /nfs/dbraw/zinc/82/44/43/718824443.db2.gz VUNPXUHOBIBKQM-PMACEKPBSA-N 1 0 451.596 2.758 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCO[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001164406142 718861433 /nfs/dbraw/zinc/86/14/33/718861433.db2.gz SZRWHNRETHMUGG-WBVHZDCISA-N 1 0 452.889 2.847 20 0 JFADRO CCOC(=O)c1cc2n(n1)CCCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)C2 ZINC001164409638 718866469 /nfs/dbraw/zinc/86/64/69/718866469.db2.gz RYUUQJGRWVRAPF-SFHVURJKSA-N 1 0 498.628 2.664 20 0 JFADRO O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001164419468 718912593 /nfs/dbraw/zinc/91/25/93/718912593.db2.gz ARRNJBZTYZFZRC-NRFANRHFSA-N 1 0 482.915 2.617 20 0 JFADRO C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424083 718915967 /nfs/dbraw/zinc/91/59/67/718915967.db2.gz KUYFKKZRCPBSLR-BVZFJXPGSA-N 1 0 471.671 2.997 20 0 JFADRO COc1ccccc1-c1cc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c(Cl)nn1 ZINC001164425308 718918972 /nfs/dbraw/zinc/91/89/72/718918972.db2.gz RLPXDHTVFFHMHB-FQEVSTJZSA-N 1 0 454.905 2.936 20 0 JFADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001164430042 718956649 /nfs/dbraw/zinc/95/66/49/718956649.db2.gz UDOCOQWAPRACHB-CJFMBICVSA-N 1 0 485.032 2.838 20 0 JFADRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)C2 ZINC001164617153 719011256 /nfs/dbraw/zinc/01/12/56/719011256.db2.gz MNZZLNUEHJJTGS-VBKZILBWSA-N 1 0 457.953 2.890 20 0 JFADRO Cc1noc([C@@H]2C[C@@H]3CCN(c4nccc(NC(=O)C(C)(C)C)c4C[N@@H+]4CC[C@H](CO)C4)C[C@H]3O2)n1 ZINC001164648147 719300078 /nfs/dbraw/zinc/30/00/78/719300078.db2.gz FTNYLNMEDAGGLY-YHDSQAASSA-N 1 0 498.628 2.928 20 0 JFADRO C[NH+]1CCN(c2ccc(N3CC[C@]4(C3)c3ccccc3S(=O)(=O)N4Cc3ccccc3)nn2)CC1 ZINC001164651374 719322761 /nfs/dbraw/zinc/32/27/61/719322761.db2.gz HAWMJIUENYWKLY-SANMLTNESA-N 1 0 490.633 2.539 20 0 JFADRO CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164662867 719341927 /nfs/dbraw/zinc/34/19/27/719341927.db2.gz UWXZZPMEXTXZAK-UHFFFAOYSA-N 1 0 481.931 2.812 20 0 JFADRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(S(=O)(=O)N(Cc4ccccc4)Cc4ccccc4)cn3)C[C@H]21 ZINC001164667853 719438574 /nfs/dbraw/zinc/43/85/74/719438574.db2.gz HWNVXOOPPLUORQ-JWQCQUIFSA-N 1 0 478.618 2.992 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(Cl)cc3C(N)=O)CC2)c2ccccc21 ZINC001164680351 719659691 /nfs/dbraw/zinc/65/96/91/719659691.db2.gz FWYCGGPLBAZZHN-KRWDZBQOSA-N 1 0 470.017 2.927 20 0 JFADRO CCOC(=O)c1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)cn1 ZINC001164681483 719666934 /nfs/dbraw/zinc/66/69/34/719666934.db2.gz LPPQSJJOCZQGDT-LJQANCHMSA-N 1 0 465.598 2.747 20 0 JFADRO COC(=O)Cc1cccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680064 719667179 /nfs/dbraw/zinc/66/71/79/719667179.db2.gz BFARHVIGKUNPHL-HXUWFJFHSA-N 1 0 464.610 2.891 20 0 JFADRO CCOC(=O)c1nccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164684472 719668183 /nfs/dbraw/zinc/66/81/83/719668183.db2.gz UGWFLECRVBNMQL-IBGZPJMESA-N 1 0 465.598 2.747 20 0 JFADRO CCOC(=O)Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680889 719671248 /nfs/dbraw/zinc/67/12/48/719671248.db2.gz INIKGCOXTBPFDR-NRFANRHFSA-N 1 0 479.625 2.676 20 0 JFADRO COC(OC)c1c(CO)ccnc1N1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001164681468 719674070 /nfs/dbraw/zinc/67/40/70/719674070.db2.gz LCGFHDVCIOVJSN-NRFANRHFSA-N 1 0 496.652 2.959 20 0 JFADRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cn4cncn4)cn3)CC2)c2ccccc21 ZINC001164680384 719677198 /nfs/dbraw/zinc/67/71/98/719677198.db2.gz DKALJXLHCARAID-QFIPXVFZSA-N 1 0 473.625 2.815 20 0 JFADRO CCNC(=O)c1ccc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc1 ZINC001164680850 719677837 /nfs/dbraw/zinc/67/78/37/719677837.db2.gz HZKGJMHVGAKYLC-OAQYLSRUSA-N 1 0 463.626 2.925 20 0 JFADRO CON(C)C(=O)c1ccnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c1 ZINC001164686987 719679420 /nfs/dbraw/zinc/67/94/20/719679420.db2.gz ZIGMCFRNUNSQNO-NRFANRHFSA-N 1 0 479.625 2.808 20 0 JFADRO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4c(ncn4C)c(N4CCOCC4)n2)CC3)cs1 ZINC001164692741 719806799 /nfs/dbraw/zinc/80/67/99/719806799.db2.gz MADJSOBZSOJETO-UHFFFAOYSA-N 1 0 468.631 2.600 20 0 JFADRO Cn1cnc2c1cc(C1CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC1)nc2-c1cccnc1 ZINC001164704942 719881173 /nfs/dbraw/zinc/88/11/73/719881173.db2.gz XSLWXYAVSQHZSK-UHFFFAOYSA-N 1 0 469.597 2.956 20 0 JFADRO CCOC(=O)N1CCc2nnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)cc2C1 ZINC001164707934 719898674 /nfs/dbraw/zinc/89/86/74/719898674.db2.gz ZTPSYJJNTBSYSN-UHFFFAOYSA-N 1 0 457.600 2.924 20 0 JFADRO O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)C[C@@H]21)N1CCCCO1 ZINC001164704227 719927984 /nfs/dbraw/zinc/92/79/84/719927984.db2.gz QEZFUBGTSBGLMC-LSTHTHJFSA-N 1 0 482.959 2.909 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C(=O)OC)c(C(=O)OC)n1)CC2 ZINC001164711635 720099081 /nfs/dbraw/zinc/09/90/81/720099081.db2.gz RVKRGOZKGYQJNJ-IBGZPJMESA-N 1 0 468.554 2.557 20 0 JFADRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C(=O)N(C)OC)CC2 ZINC001164713096 720132597 /nfs/dbraw/zinc/13/25/97/720132597.db2.gz QPIKOZNRJLZPDQ-OAQYLSRUSA-N 1 0 453.587 2.926 20 0 JFADRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC(C)=O)c(OC(C)=O)cc31)C2 ZINC001164808200 720148147 /nfs/dbraw/zinc/14/81/47/720148147.db2.gz DWLOOHNHXUYTLE-KBMIEXCESA-N 1 0 468.554 2.665 20 0 JFADRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)CC2 ZINC001164713550 720150617 /nfs/dbraw/zinc/15/06/17/720150617.db2.gz RVEKRMODCZEQKV-QFIPXVFZSA-N 1 0 485.654 2.769 20 0 JFADRO Cn1nnc2c1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712897 720170472 /nfs/dbraw/zinc/17/04/72/720170472.db2.gz HTSPSMWKXSLALX-ZDUSSCGKSA-N 1 0 462.332 2.673 20 0 JFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COC)nc1 ZINC001164817520 720173798 /nfs/dbraw/zinc/17/37/98/720173798.db2.gz PRTPPTNFWJYIIS-GREBRCKQSA-N 1 0 450.649 2.733 20 0 JFADRO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COC)nc1 ZINC001164817526 720174301 /nfs/dbraw/zinc/17/43/01/720174301.db2.gz PRTPPTNFWJYIIS-NOXFTYBFSA-N 1 0 450.649 2.733 20 0 JFADRO CCOC(=O)c1c(C)nc(Cl)cc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718827 720175410 /nfs/dbraw/zinc/17/54/10/720175410.db2.gz SCHJWNCOZLUJMY-SFHVURJKSA-N 1 0 462.982 2.565 20 0 JFADRO COc1ccc2nc(Cl)cc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2n1 ZINC001164719882 720184470 /nfs/dbraw/zinc/18/44/70/720184470.db2.gz YAYTUIQBYRGXLI-GOSISDBHSA-N 1 0 457.966 2.637 20 0 JFADRO COc1cccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c21 ZINC001164717739 720186055 /nfs/dbraw/zinc/18/60/55/720186055.db2.gz MAGQVRANCHVGLE-QGZVFWFLSA-N 1 0 457.966 2.637 20 0 JFADRO COc1cccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c21 ZINC001164717737 720186079 /nfs/dbraw/zinc/18/60/79/720186079.db2.gz MAGQVRANCHVGLE-KRWDZBQOSA-N 1 0 457.966 2.637 20 0 JFADRO Cn1nnc2c1CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)[C@@H]2COCC[NH+]1CCCC1 ZINC001164713419 720197852 /nfs/dbraw/zinc/19/78/52/720197852.db2.gz BZUSHTWSPOAXNX-OAQYLSRUSA-N 1 0 488.036 2.706 20 0 JFADRO COc1ccc(-c2ccc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)nn2)c(OC)c1 ZINC001164714616 720200665 /nfs/dbraw/zinc/20/06/65/720200665.db2.gz HBXQPSYLXULYEV-QFIPXVFZSA-N 1 0 479.585 2.506 20 0 JFADRO Cn1nnc2c1CCN(c1ncnc3[nH]c4cc(F)ccc4c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164720354 720206865 /nfs/dbraw/zinc/20/68/65/720206865.db2.gz ZAXOCFLOHVNILA-IBGZPJMESA-N 1 0 450.522 2.595 20 0 JFADRO COC(=O)c1cc(C(F)(F)N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cnc1Cl ZINC001164814087 720217402 /nfs/dbraw/zinc/21/74/02/720217402.db2.gz SPIPVMZJJIUCFS-UHFFFAOYSA-N 1 0 469.920 2.874 20 0 JFADRO CCOC(=O)c1cc2cccnc2nc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164811908 720221437 /nfs/dbraw/zinc/22/14/37/720221437.db2.gz ADYPDHTYRINOOH-UHFFFAOYSA-N 1 0 450.543 2.614 20 0 JFADRO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164820955 720291861 /nfs/dbraw/zinc/29/18/61/720291861.db2.gz IHWOADOQGWFYTA-IAGOWNOFSA-N 1 0 485.963 2.763 20 0 JFADRO CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820923 720296896 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CCOC(=O)c1ccc2nc(Cl)nc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2c1 ZINC001165010765 721743437 /nfs/dbraw/zinc/74/34/37/721743437.db2.gz PADWMBGJGZCEQU-UHFFFAOYSA-N 1 0 459.978 2.983 20 0 JFADRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)CC1 ZINC001165010559 721744875 /nfs/dbraw/zinc/74/48/75/721744875.db2.gz ONMGNJFURUIOFF-UHFFFAOYSA-N 1 0 498.697 2.535 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)nc1 ZINC001165015564 721766228 /nfs/dbraw/zinc/76/62/28/721766228.db2.gz RAOUVATZEPFIEA-QFIPXVFZSA-N 1 0 476.629 2.941 20 0 JFADRO O=C([C@@H]1C[C@@]2(CO1)CCCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)C2)N1CCOCC1 ZINC001165018676 721778712 /nfs/dbraw/zinc/77/87/12/721778712.db2.gz JQLRIFLBGRRCNL-REWPJTCUSA-N 1 0 496.986 2.891 20 0 JFADRO CCOC(=O)c1c[nH]c2cc(N3CCO[C@@]4(C3)COCCN(Cc3csc(C)n3)C4)[nH+]cc21 ZINC001164920454 721831510 /nfs/dbraw/zinc/83/15/10/721831510.db2.gz DTCZPJWYLKTYMP-QHCPKHFHSA-N 1 0 471.583 2.612 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C(=O)N3CCOCC3)cn2)CC1 ZINC001165021386 721838143 /nfs/dbraw/zinc/83/81/43/721838143.db2.gz MCLVVPUMSKZMQH-UHFFFAOYSA-N 1 0 454.571 2.672 20 0 JFADRO CCOC(=O)c1cnc(N2CCOCC2)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165023001 721842732 /nfs/dbraw/zinc/84/27/32/721842732.db2.gz VWAQJUFVTQNLLJ-UHFFFAOYSA-N 1 0 499.612 2.608 20 0 JFADRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 ZINC001165030987 721844336 /nfs/dbraw/zinc/84/43/36/721844336.db2.gz NRTHPUIWIDLQCY-UHFFFAOYSA-N 1 0 474.627 2.984 20 0 JFADRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(S(=O)(=O)NC(C)C)cn4)CC3)C2)cc1 ZINC001164938987 721931445 /nfs/dbraw/zinc/93/14/45/721931445.db2.gz FZIQOWUYSHFTSX-UHFFFAOYSA-N 1 0 458.628 2.948 20 0 JFADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCCC[C@H]2CC[NH+]2CCCC2)CN1 ZINC001165046118 721970819 /nfs/dbraw/zinc/97/08/19/721970819.db2.gz BPELHTPOQRHLIC-LEDOBFOHSA-N 1 0 483.613 2.766 20 0 JFADRO COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CCCC[C@@H]2CC[NH+]2CCCC2)CN1 ZINC001165046120 721970833 /nfs/dbraw/zinc/97/08/33/721970833.db2.gz BPELHTPOQRHLIC-RFWXGWTQSA-N 1 0 483.613 2.766 20 0 JFADRO COC(=O)C1CCN(c2ccnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164956088 722019761 /nfs/dbraw/zinc/01/97/61/722019761.db2.gz WHIVUGPIKMFRLE-UHFFFAOYSA-N 1 0 450.587 2.754 20 0 JFADRO Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4ccc5c(n4)CC[N@@H+](Cc4ccccc4)C5)CC[C@@H]32)cn1 ZINC001164956694 722031047 /nfs/dbraw/zinc/03/10/47/722031047.db2.gz IDISEGMPSSPDPE-USZFVNFHSA-N 1 0 486.620 2.645 20 0 JFADRO Cn1cccc1C(=O)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@H]2COC[C@@H]21 ZINC001164960102 722038299 /nfs/dbraw/zinc/03/82/99/722038299.db2.gz JJIKWVVEDPVWGY-GGPKGHCWSA-N 1 0 477.943 2.629 20 0 JFADRO O=S(=O)(c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)N1CCCCC1 ZINC001164959972 722060970 /nfs/dbraw/zinc/06/09/70/722060970.db2.gz BBYPUKDPKYKAHU-UHFFFAOYSA-N 1 0 485.654 2.770 20 0 JFADRO O=C1[C@@H]2CCN(c3cccc(OCC[NH+]4CCCC4)n3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969158 722082306 /nfs/dbraw/zinc/08/23/06/722082306.db2.gz KMOWMEVBDXEJGA-PKTZIBPZSA-N 1 0 468.573 2.949 20 0 JFADRO FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001164971836 722089337 /nfs/dbraw/zinc/08/93/37/722089337.db2.gz FHKFWGUQGYZVPW-UHFFFAOYSA-N 1 0 460.920 2.903 20 0 JFADRO c1cc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164980696 722105121 /nfs/dbraw/zinc/10/51/21/722105121.db2.gz JYDSZVHWVMTBDF-FPOVZHCZSA-N 1 0 466.611 2.650 20 0 JFADRO c1ccc2nc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164982506 722115880 /nfs/dbraw/zinc/11/58/80/722115880.db2.gz WUFFTLFVMBLEJR-URXFXBBRSA-N 1 0 460.582 2.589 20 0 JFADRO Clc1nc(N2CCOCC2)nc(Cl)c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982704 722125072 /nfs/dbraw/zinc/12/50/72/722125072.db2.gz XSOPVADRLWCLLK-ZWKOTPCHSA-N 1 0 479.412 2.742 20 0 JFADRO COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH]1 ZINC001164981891 722127002 /nfs/dbraw/zinc/12/70/02/722127002.db2.gz VKDMSFJGAZIKDA-MAUKXSAKSA-N 1 0 456.934 2.520 20 0 JFADRO CC(C)CCNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164974190 722144073 /nfs/dbraw/zinc/14/40/73/722144073.db2.gz CMNUEPWHSCHMKL-FYYLOGMGSA-N 1 0 473.643 2.528 20 0 JFADRO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C(=O)OCC ZINC001164977121 722157872 /nfs/dbraw/zinc/15/78/72/722157872.db2.gz XDTFCBMIPWXQFI-PZJWPPBQSA-N 1 0 468.554 2.557 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002751 722241631 /nfs/dbraw/zinc/24/16/31/722241631.db2.gz FVEJXHRINLQEFW-KNQAVFIVSA-N 1 0 460.586 2.681 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1 ZINC001165002755 722241727 /nfs/dbraw/zinc/24/17/27/722241727.db2.gz FVEJXHRINLQEFW-UGKGYDQZSA-N 1 0 460.586 2.681 20 0 JFADRO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001164999600 722252816 /nfs/dbraw/zinc/25/28/16/722252816.db2.gz DKNZHYQNTKLXAZ-UHFFFAOYSA-N 1 0 457.909 2.752 20 0 JFADRO COc1ccc(Cn2cc3[nH]c(N4CCCn5cnc(COCC[NH+](C)C)c5C4)ccc-3c2=O)cc1 ZINC001165002866 722256106 /nfs/dbraw/zinc/25/61/06/722256106.db2.gz VFTUSKRTMWGPRI-UHFFFAOYSA-N 1 0 490.608 2.931 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)CCC2 ZINC001165004317 722256816 /nfs/dbraw/zinc/25/68/16/722256816.db2.gz QELUACOJBDTTKL-UHFFFAOYSA-N 1 0 494.619 2.627 20 0 JFADRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(C(=O)Nc3nncs3)cc1Cl)CCC2 ZINC001165003841 722257167 /nfs/dbraw/zinc/25/71/67/722257167.db2.gz JEAJGSZZJSUKIY-UHFFFAOYSA-N 1 0 476.994 2.524 20 0 JFADRO CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001165005337 722266710 /nfs/dbraw/zinc/26/67/10/722266710.db2.gz BAPMLGRJXMJOTI-RUZDIDTESA-N 1 0 453.562 2.623 20 0 JFADRO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381055288 1059490528 /nfs/dbraw/zinc/49/05/28/1059490528.db2.gz SRHSSCSVDGJHEW-QZTJIDSGSA-N 1 0 454.612 2.691 20 0 JFADRO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000381055289 1059491370 /nfs/dbraw/zinc/49/13/70/1059491370.db2.gz SRHSSCSVDGJHEW-ROUUACIJSA-N 1 0 454.612 2.691 20 0 JFADRO C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001264017296 1059505683 /nfs/dbraw/zinc/50/56/83/1059505683.db2.gz JEQBPUWQKSVTCM-ZBLYBZFDSA-N 1 0 473.577 2.909 20 0 JFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCOC2 ZINC001264112356 1059521641 /nfs/dbraw/zinc/52/16/41/1059521641.db2.gz OPCFKACZVAISQD-UQBPGWFLSA-N 1 0 458.603 2.959 20 0 JFADRO CN1CCN(C(=O)Cc2ccc(NC(=O)/C=C/c3ccc(OCC[NH+](C)C)cc3)cc2)CC1 ZINC001264765165 1059667975 /nfs/dbraw/zinc/66/79/75/1059667975.db2.gz MUWCLZAXGICUOS-MDWZMJQESA-N 1 0 450.583 2.595 20 0 JFADRO CO[C@@H]1C[C@H](C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)N(C(=O)OCc2ccccc2)C1 ZINC001264874037 1059712960 /nfs/dbraw/zinc/71/29/60/1059712960.db2.gz LGEVBTXIMVVJSK-CTUHWIOQSA-N 1 0 451.567 2.976 20 0 JFADRO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CN(C(=O)c2ccccc2)c2ccccc2)c1 ZINC001264936304 1059732701 /nfs/dbraw/zinc/73/27/01/1059732701.db2.gz KKWKFGGVSRHHKI-UHFFFAOYSA-N 1 0 458.562 2.941 20 0 JFADRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)[C@H](c2cnn(C)c2)C1 ZINC001265053754 1059757809 /nfs/dbraw/zinc/75/78/09/1059757809.db2.gz FVWGZHXEOGNGLS-YADHBBJMSA-N 1 0 459.616 2.656 20 0 JFADRO Cc1nccnc1C(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F ZINC001265133514 1059776002 /nfs/dbraw/zinc/77/60/02/1059776002.db2.gz OZXGEQGYBMERND-UHFFFAOYSA-N 1 0 450.356 2.576 20 0 JFADRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC001265212312 1059795879 /nfs/dbraw/zinc/79/58/79/1059795879.db2.gz VKPOSMQMTQUFGT-SSOJOUAXSA-N 1 0 452.530 2.935 20 0 JFADRO CN(C(=O)c1ccc(NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC001265246724 1059804957 /nfs/dbraw/zinc/80/49/57/1059804957.db2.gz DECHTXLXYZGQEH-SFHVURJKSA-N 1 0 453.543 2.850 20 0 JFADRO Cc1ccc2ncc(C(=O)NCc3cc(C(F)(F)F)ccc3N3CC[NH+](C)CC3)c(=O)n2c1 ZINC001265255493 1059808645 /nfs/dbraw/zinc/80/86/45/1059808645.db2.gz RRACRDLKSUMEJU-UHFFFAOYSA-N 1 0 459.472 2.704 20 0 JFADRO O=C(C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001265284179 1059816443 /nfs/dbraw/zinc/81/64/43/1059816443.db2.gz MOFCMYXBRJILHD-IBGZPJMESA-N 1 0 455.571 2.842 20 0 JFADRO CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001299744538 1059835110 /nfs/dbraw/zinc/83/51/10/1059835110.db2.gz PUFJVHGMPBILGS-WIYYLYMNSA-N 1 0 470.684 2.548 20 0 JFADRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC001265525323 1059879718 /nfs/dbraw/zinc/87/97/18/1059879718.db2.gz WOVUZMWYAOQWSX-KRWDZBQOSA-N 1 0 458.481 2.939 20 0 JFADRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC001265849933 1059936014 /nfs/dbraw/zinc/93/60/14/1059936014.db2.gz LLFQBTZHGIDRON-VQDLLJBESA-N 1 0 451.546 2.519 20 0 JFADRO CO[C@@]1(C)CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC[NH+]2CCCC2)C1 ZINC001299748514 1059974347 /nfs/dbraw/zinc/97/43/47/1059974347.db2.gz DJIJLAPAUIIONB-QHCPKHFHSA-N 1 0 461.632 2.840 20 0 JFADRO COc1cc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)cc(OC)c1OCC(N)=O ZINC000619772547 1059977748 /nfs/dbraw/zinc/97/77/48/1059977748.db2.gz NSARJUFFXWTADV-HNNXBMFYSA-N 1 0 451.317 2.944 20 0 JFADRO COCCOCC(=O)NC1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)CC1 ZINC001279365168 1059983225 /nfs/dbraw/zinc/98/32/25/1059983225.db2.gz RIDWZNZSAHNEIS-VHYCJAOWSA-N 1 0 459.631 2.693 20 0 JFADRO C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC001280503639 1060008903 /nfs/dbraw/zinc/00/89/03/1060008903.db2.gz KBLYBSADAVGTSA-INIZCTEOSA-N 1 0 456.340 2.955 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001286837543 1061092485 /nfs/dbraw/zinc/09/24/85/1061092485.db2.gz DRUAWWDKFMDFTD-IBGZPJMESA-N 1 0 496.660 2.883 20 0 JFADRO C/C(=C/c1ccccc1)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[N@@H+]1CCC[C@@H]1C ZINC001286839672 1061098004 /nfs/dbraw/zinc/09/80/04/1061098004.db2.gz VKOULBMXMIKSDB-YCOULBNXSA-N 1 0 460.648 2.912 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001286841706 1061109358 /nfs/dbraw/zinc/10/93/58/1061109358.db2.gz IMHZBHWDEQDHKY-XMMPIXPASA-N 1 0 484.645 2.956 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC001286843448 1061122217 /nfs/dbraw/zinc/12/22/17/1061122217.db2.gz SEGSDBPQBLCHAF-JOCHJYFZSA-N 1 0 484.674 2.951 20 0 JFADRO CC(=O)N(C)C1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001286843695 1061123712 /nfs/dbraw/zinc/12/37/12/1061123712.db2.gz CONLTKMJWIHZNJ-HHHXNRCGSA-N 1 0 498.672 2.803 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C[C@H](C)[NH+](C)C)C1 ZINC001286844267 1061130805 /nfs/dbraw/zinc/13/08/05/1061130805.db2.gz DTZBFNVVTXZHAA-HKUYNNGSSA-N 1 0 450.591 2.590 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC001286847089 1061154537 /nfs/dbraw/zinc/15/45/37/1061154537.db2.gz VXELXPDWFRQURD-VQTJNVASSA-N 1 0 487.674 2.620 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001286847370 1061157095 /nfs/dbraw/zinc/15/70/95/1061157095.db2.gz XKLMUWAWYYMPLJ-IRLDBZIGSA-N 1 0 496.660 2.742 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001286847880 1061161318 /nfs/dbraw/zinc/16/13/18/1061161318.db2.gz CJGUPXJBDVHGRU-BJKOFHAPSA-N 1 0 484.693 2.812 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001286847920 1061162087 /nfs/dbraw/zinc/16/20/87/1061162087.db2.gz DNNICVWUDPOMLK-UEVCKROQSA-N 1 0 454.619 2.607 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001286848598 1061165778 /nfs/dbraw/zinc/16/57/78/1061165778.db2.gz IAZOKFUABPVHKV-NRSPTQNISA-N 1 0 491.681 2.647 20 0 JFADRO CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccccc3F)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001286849055 1061167421 /nfs/dbraw/zinc/16/74/21/1061167421.db2.gz SZYLLRCEKRNQOG-SFTDATJTSA-N 1 0 472.609 2.626 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cc(-c4ccccc4)on3)n2C[C@H](C)[NH+](C)C)C1 ZINC001286851944 1061186250 /nfs/dbraw/zinc/18/62/50/1061186250.db2.gz VDRWOPLAAWNVCO-PKOBYXMFSA-N 1 0 451.575 2.855 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC[N@@H+](C)C(C)C)C1 ZINC001286854325 1061202842 /nfs/dbraw/zinc/20/28/42/1061202842.db2.gz JARODZJOJXFPPT-NJYVYQBISA-N 1 0 491.681 2.694 20 0 JFADRO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001286854651 1061204611 /nfs/dbraw/zinc/20/46/11/1061204611.db2.gz 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BXVPSWSMSZAZGQ-FPOVZHCZSA-N 1 0 488.608 2.583 20 0 JFADRO Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC001289635009 1061268732 /nfs/dbraw/zinc/26/87/32/1061268732.db2.gz MJKGRYHOHNSZFD-HSZRJFAPSA-N 1 0 489.045 2.934 20 0 JFADRO Cc1ccc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)s1 ZINC001289635010 1061269137 /nfs/dbraw/zinc/26/91/37/1061269137.db2.gz MJKGRYHOHNSZFD-QHCPKHFHSA-N 1 0 489.045 2.934 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccn4C)n3C[C@](C)(O)CCC(C)C)C[C@@H]2C)CC1 ZINC001286871194 1061270862 /nfs/dbraw/zinc/27/08/62/1061270862.db2.gz MREQZFMAEKBXCG-YEEURNOCSA-N 1 0 499.704 2.850 20 0 JFADRO Cc1ccc(CN(C)c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2CCCO[C@@H](C)C2)s1 ZINC001289651694 1061275556 /nfs/dbraw/zinc/27/55/56/1061275556.db2.gz QVFLAOFLOALUBA-SFHVURJKSA-N 1 0 460.648 2.908 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)C)n3CCCOCC3CCOCC3)C[C@H]2C)CC1 ZINC001286872201 1061277497 /nfs/dbraw/zinc/27/74/97/1061277497.db2.gz TXBPHQFIAZWGPN-ZJSXRUAMSA-N 1 0 490.693 2.614 20 0 JFADRO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1 ZINC001289662715 1061283560 /nfs/dbraw/zinc/28/35/60/1061283560.db2.gz OPMPUTUTIYLVTD-SFTDATJTSA-N 1 0 474.675 2.866 20 0 JFADRO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CCSC(C)C)C[C@@H]2C)CC1 ZINC001286872970 1061283963 /nfs/dbraw/zinc/28/39/63/1061283963.db2.gz ZLBVUXLEZNYKJX-SIKLNZKXSA-N 1 0 471.675 2.861 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286873727 1061287624 /nfs/dbraw/zinc/28/76/24/1061287624.db2.gz FJUSNASUMUTBFE-QZTJIDSGSA-N 1 0 458.582 2.641 20 0 JFADRO Cc1ccc(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCC([NH2+]C(C)C)CC2)cn1 ZINC001289665779 1061288333 /nfs/dbraw/zinc/28/83/33/1061288333.db2.gz RXGZZBHBYSNEDQ-UHFFFAOYSA-N 1 0 497.669 2.914 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001286874112 1061288552 /nfs/dbraw/zinc/28/85/52/1061288552.db2.gz LJDNDMFINKTQSG-WOJBJXKFSA-N 1 0 454.619 2.810 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001286874430 1061288975 /nfs/dbraw/zinc/28/89/75/1061288975.db2.gz QKHFUTLYFKRXQC-INIZCTEOSA-N 1 0 478.439 2.969 20 0 JFADRO CC(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001286874443 1061289009 /nfs/dbraw/zinc/28/90/09/1061289009.db2.gz QVQVKEMIOOCUDK-HOTGVXAUSA-N 1 0 478.439 2.825 20 0 JFADRO CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001286881825 1061307399 /nfs/dbraw/zinc/30/73/99/1061307399.db2.gz COGKDHAGWGVDKE-IBGZPJMESA-N 1 0 491.036 2.680 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286882186 1061309234 /nfs/dbraw/zinc/30/92/34/1061309234.db2.gz BEOKEBKFMMZANE-QZTJIDSGSA-N 1 0 459.664 2.670 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001286883053 1061312823 /nfs/dbraw/zinc/31/28/23/1061312823.db2.gz HTSCJDQCOIQYBQ-UZUQRXQVSA-N 1 0 459.664 2.813 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC001286883446 1061313850 /nfs/dbraw/zinc/31/38/50/1061313850.db2.gz KKYOHTIXSOLHQP-SFHVURJKSA-N 1 0 497.669 2.680 20 0 JFADRO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286884026 1061316699 /nfs/dbraw/zinc/31/66/99/1061316699.db2.gz BIAUZMHOBDFZGS-FGZHOGPDSA-N 1 0 468.646 2.936 20 0 JFADRO CC(=O)N1CCN(c2nnc(CCOc3ccccc3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001286884029 1061316837 /nfs/dbraw/zinc/31/68/37/1061316837.db2.gz BIAUZMHOBDFZGS-VXKWHMMOSA-N 1 0 468.646 2.936 20 0 JFADRO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001286884154 1061317316 /nfs/dbraw/zinc/31/73/16/1061317316.db2.gz CGURGUKHOOMMFR-RTBURBONSA-N 1 0 470.666 2.565 20 0 JFADRO Cc1ccc(F)c(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@]2([NH+](C)C)CCSC2)c1 ZINC001289708452 1061318777 /nfs/dbraw/zinc/31/87/77/1061318777.db2.gz 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YGTDTVOHLDDXBG-UTKZUKDTSA-N 1 0 459.664 2.811 20 0 JFADRO CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC001286885644 1061324319 /nfs/dbraw/zinc/32/43/19/1061324319.db2.gz MDEMBNAWIQVJSF-VQTJNVASSA-N 1 0 481.645 2.587 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)cc1C ZINC001289720912 1061327236 /nfs/dbraw/zinc/32/72/36/1061327236.db2.gz GSSMBABFDALZLC-UHFFFAOYSA-N 1 0 499.660 2.609 20 0 JFADRO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886147 1061327542 /nfs/dbraw/zinc/32/75/42/1061327542.db2.gz AXONABBZLCUCNO-QZNHQXDQSA-N 1 0 473.710 2.686 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)[C@H]3CCSC3)n2CCC[NH+]2CCC(O)CC2)cc1C ZINC001289721750 1061329533 /nfs/dbraw/zinc/32/95/33/1061329533.db2.gz QKBOUAAKZHRYLR-FQEVSTJZSA-N 1 0 472.659 2.936 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289722108 1061330279 /nfs/dbraw/zinc/33/02/79/1061330279.db2.gz XHIPBMZRMWZIBI-NRFANRHFSA-N 1 0 485.677 2.892 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N(C)CC(C)(C)CN3CCOCC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289722109 1061330355 /nfs/dbraw/zinc/33/03/55/1061330355.db2.gz XHIPBMZRMWZIBI-OAQYLSRUSA-N 1 0 485.677 2.892 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1C ZINC001289728898 1061338649 /nfs/dbraw/zinc/33/86/49/1061338649.db2.gz JUZURIJJILMMMJ-PMACEKPBSA-N 1 0 467.618 2.579 20 0 JFADRO CC(=O)N1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCCC2)[C@H](C)C1 ZINC001286888108 1061339829 /nfs/dbraw/zinc/33/98/29/1061339829.db2.gz JTYRLTLCSSANFI-QUCCMNQESA-N 1 0 475.638 2.503 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C(=O)NCC(F)(F)F)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289730570 1061340444 /nfs/dbraw/zinc/34/04/44/1061340444.db2.gz VQPTXZPZMQDFBM-DLBZAZTESA-N 1 0 495.550 2.602 20 0 JFADRO Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)O[C@@]4(CCCOC4)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289730984 1061340792 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/nfs/dbraw/zinc/44/08/70/1061440870.db2.gz BFFLFVNVSWWGRY-UHFFFAOYSA-N 1 0 470.662 2.709 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001286908940 1061448256 /nfs/dbraw/zinc/44/82/56/1061448256.db2.gz KVXDZYZLWUUOQY-SIKLNZKXSA-N 1 0 458.582 2.546 20 0 JFADRO Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)C[NH+](C)C)cc1C ZINC001289808601 1061451622 /nfs/dbraw/zinc/45/16/22/1061451622.db2.gz KADXOZGYXMZROL-FQEVSTJZSA-N 1 0 463.648 2.685 20 0 JFADRO Cc1ccc(OCc2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)cc1C ZINC001289809233 1061453565 /nfs/dbraw/zinc/45/35/65/1061453565.db2.gz PAXLUYNOBWQXFB-CPJSRVTESA-N 1 0 457.619 2.981 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001286910202 1061455237 /nfs/dbraw/zinc/45/52/37/1061455237.db2.gz DGSCFAAKZRUWJN-UPVQGACJSA-N 1 0 484.645 2.627 20 0 JFADRO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccs2)[NH+](C)C)C1 ZINC001286910999 1061460226 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/nfs/dbraw/zinc/66/27/48/1061662748.db2.gz ZYPLIZPXZTXWSQ-WRALFONMSA-N 1 0 498.672 2.875 20 0 JFADRO Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC001289961482 1061668741 /nfs/dbraw/zinc/66/87/41/1061668741.db2.gz SKVWUQKJXACJHN-BVZFJXPGSA-N 1 0 469.634 2.630 20 0 JFADRO CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001294173344 1061679563 /nfs/dbraw/zinc/67/95/63/1061679563.db2.gz ITJHOJXAIZZJRZ-QHCPKHFHSA-N 1 0 490.693 2.841 20 0 JFADRO CC(=O)NCCCn1c(-c2ccc(Br)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001286950423 1061680964 /nfs/dbraw/zinc/68/09/64/1061680964.db2.gz ZXKQJLNZXFQAFX-UHFFFAOYSA-N 1 0 491.434 2.535 20 0 JFADRO CC(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001286951542 1061690423 /nfs/dbraw/zinc/69/04/23/1061690423.db2.gz YIWORHVZPPOPKX-UHFFFAOYSA-N 1 0 497.047 2.778 20 0 JFADRO CC(=O)NCCCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001286952088 1061694544 /nfs/dbraw/zinc/69/45/44/1061694544.db2.gz JZTRGPLIJILNOZ-SQJMNOBHSA-N 1 0 496.635 2.787 20 0 JFADRO CON(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1Cl ZINC001294189507 1061699655 /nfs/dbraw/zinc/69/96/55/1061699655.db2.gz MFNGRHVOPNQRNT-GOSISDBHSA-N 1 0 451.976 2.868 20 0 JFADRO CC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001286954008 1061702667 /nfs/dbraw/zinc/70/26/67/1061702667.db2.gz FKCNEEZHERGTQB-UHFFFAOYSA-N 1 0 454.619 2.881 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001294196994 1061705051 /nfs/dbraw/zinc/70/50/51/1061705051.db2.gz SWMFUJUMQCHDMO-AQNXPRMDSA-N 1 0 484.711 2.604 20 0 JFADRO CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001294197000 1061705316 /nfs/dbraw/zinc/70/53/16/1061705316.db2.gz SWMFUJUMQCHDMO-ZCNNSNEGSA-N 1 0 484.711 2.604 20 0 JFADRO Cc1cccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(S(C)(=O)=O)cc2)n1 ZINC001289983272 1061705488 /nfs/dbraw/zinc/70/54/88/1061705488.db2.gz MEAGALAGEAMOSH-UHFFFAOYSA-N 1 0 468.627 2.878 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001294208859 1061711672 /nfs/dbraw/zinc/71/16/72/1061711672.db2.gz KACASIPKCZYSGD-FQEVSTJZSA-N 1 0 462.664 2.667 20 0 JFADRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001294208858 1061711930 /nfs/dbraw/zinc/71/19/30/1061711930.db2.gz KABQYVGLBLMXNM-VWLOTQADSA-N 1 0 489.686 2.751 20 0 JFADRO Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)n1 ZINC001289987994 1061713526 /nfs/dbraw/zinc/71/35/26/1061713526.db2.gz FVVBRDKWJPVRAV-PKOBYXMFSA-N 1 0 468.524 2.653 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294210592 1061714822 /nfs/dbraw/zinc/71/48/22/1061714822.db2.gz MTAZQJJKBAWPQC-VWLOTQADSA-N 1 0 469.634 2.842 20 0 JFADRO Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC001289991692 1061717014 /nfs/dbraw/zinc/71/70/14/1061717014.db2.gz GXFAIDSVBKFGFM-UHFFFAOYSA-N 1 0 468.627 2.596 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001294211997 1061717122 /nfs/dbraw/zinc/71/71/22/1061717122.db2.gz XFIGHSWJQRRKLW-UHFFFAOYSA-N 1 0 499.635 2.784 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001294212040 1061717788 /nfs/dbraw/zinc/71/77/88/1061717788.db2.gz YFZUWHSXEGCBDV-UHFFFAOYSA-N 1 0 482.633 2.639 20 0 JFADRO CCCC[N@H+](C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc3ccccc3o2)CC1 ZINC001294212171 1061718024 /nfs/dbraw/zinc/71/80/24/1061718024.db2.gz ZOYSEATXNVZIKL-UHFFFAOYSA-N 1 0 468.606 2.616 20 0 JFADRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 ZINC001294212933 1061718469 /nfs/dbraw/zinc/71/84/69/1061718469.db2.gz HFNPKNKDQVVZOZ-LJQANCHMSA-N 1 0 459.568 2.815 20 0 JFADRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 ZINC001294212932 1061718559 /nfs/dbraw/zinc/71/85/59/1061718559.db2.gz HFNPKNKDQVVZOZ-IBGZPJMESA-N 1 0 459.568 2.815 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2ncccn2)CC1 ZINC001294214612 1061723092 /nfs/dbraw/zinc/72/30/92/1061723092.db2.gz JPOPQIXFTBJXPB-UHFFFAOYSA-N 1 0 488.438 2.884 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001294214652 1061724013 /nfs/dbraw/zinc/72/40/13/1061724013.db2.gz KGLPJPOUKWLCKK-SFHVURJKSA-N 1 0 483.592 2.946 20 0 JFADRO Cc1cccc([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)C2)c1 ZINC001290000637 1061724114 /nfs/dbraw/zinc/72/41/14/1061724114.db2.gz GDCCJYRKEHUVHK-GOTSBHOMSA-N 1 0 495.672 2.661 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001294215853 1061724534 /nfs/dbraw/zinc/72/45/34/1061724534.db2.gz VZTBHRHMWLUMRT-INIZCTEOSA-N 1 0 480.455 2.835 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cccnn2)CC1 ZINC001294215871 1061724819 /nfs/dbraw/zinc/72/48/19/1061724819.db2.gz WELNDXNUWXWVES-UHFFFAOYSA-N 1 0 450.591 2.802 20 0 JFADRO CC(=O)NCCN(Cc1ccsc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001286959013 1061727699 /nfs/dbraw/zinc/72/76/99/1061727699.db2.gz RKSIJFZYOPMIKK-WFXMLNOXSA-N 1 0 487.674 2.554 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001294217700 1061728554 /nfs/dbraw/zinc/72/85/54/1061728554.db2.gz JZOGOFCLXVFWMV-XMMPIXPASA-N 1 0 491.658 2.709 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001294218877 1061729746 /nfs/dbraw/zinc/72/97/46/1061729746.db2.gz GBOOAPPPKOEVAO-SFHVURJKSA-N 1 0 460.627 2.762 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001294219372 1061730147 /nfs/dbraw/zinc/73/01/47/1061730147.db2.gz YIARDXLPQSPWMH-UHFFFAOYSA-N 1 0 485.658 2.743 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001294219379 1061730415 /nfs/dbraw/zinc/73/04/15/1061730415.db2.gz YJVGXQHEHWUPLY-AZUAARDMSA-N 1 0 459.547 2.808 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001294219458 1061730833 /nfs/dbraw/zinc/73/08/33/1061730833.db2.gz ZCDLXEYZPVVPCZ-HXUWFJFHSA-N 1 0 470.618 2.943 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001294224414 1061734964 /nfs/dbraw/zinc/73/49/64/1061734964.db2.gz SZJMKUDMTDFWLW-PZJWPPBQSA-N 1 0 472.638 2.649 20 0 JFADRO CCCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC(NC(C)=O)CC1 ZINC001294224538 1061735236 /nfs/dbraw/zinc/73/52/36/1061735236.db2.gz UHPRXIRPODYQNP-UHFFFAOYSA-N 1 0 473.622 2.621 20 0 JFADRO CCCC[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294228073 1061742489 /nfs/dbraw/zinc/74/24/89/1061742489.db2.gz AJJOZHGDHFFIKD-HSZRJFAPSA-N 1 0 460.554 2.759 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001294229364 1061745665 /nfs/dbraw/zinc/74/56/65/1061745665.db2.gz XRCZRLKREZJMGF-UHFFFAOYSA-N 1 0 466.634 2.553 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001294229246 1061745714 /nfs/dbraw/zinc/74/57/14/1061745714.db2.gz WVKJRJKCCYAUNW-DEOSSOPVSA-N 1 0 456.591 2.640 20 0 JFADRO CCCC[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001294230069 1061747167 /nfs/dbraw/zinc/74/71/67/1061747167.db2.gz UVOLJEWZEGMMQT-IBGZPJMESA-N 1 0 470.588 2.944 20 0 JFADRO CC(C)[NH+](CCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001286971307 1061749002 /nfs/dbraw/zinc/74/90/02/1061749002.db2.gz HUEPJGIRKIKWKU-QHCPKHFHSA-N 1 0 496.704 2.516 20 0 JFADRO CCCC[N@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC001294233842 1061749234 /nfs/dbraw/zinc/74/92/34/1061749234.db2.gz ZNUUEJLLRKUYKV-IUVFILBMSA-N 1 0 465.639 2.507 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3nccn3C(F)F)CC2)c1 ZINC001290033556 1061749857 /nfs/dbraw/zinc/74/98/57/1061749857.db2.gz KMBITADPTQEQGQ-UHFFFAOYSA-N 1 0 472.544 2.687 20 0 JFADRO C[C@@H](C(=O)NC1CC1)N1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001286971886 1061750460 /nfs/dbraw/zinc/75/04/60/1061750460.db2.gz LPONXYAPBPEFEK-IBGZPJMESA-N 1 0 459.683 2.629 20 0 JFADRO CCCCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001294242128 1061751909 /nfs/dbraw/zinc/75/19/09/1061751909.db2.gz CSOXFOMAVLXDMT-RUZDIDTESA-N 1 0 467.618 2.758 20 0 JFADRO Cc1cccc(C[NH+]2CCN(c3nnc(CN4CCCC4=O)n3CCCOC(F)(F)F)CC2)c1 ZINC001290037071 1061752458 /nfs/dbraw/zinc/75/24/58/1061752458.db2.gz BQTKSGORIYVSAZ-UHFFFAOYSA-N 1 0 480.535 2.958 20 0 JFADRO CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001294270504 1061766462 /nfs/dbraw/zinc/76/64/62/1061766462.db2.gz QTBURKRTIWJHMQ-UHFFFAOYSA-N 1 0 463.652 2.585 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1([NH+](C)C)CCOCC1)S(C)(=O)=O ZINC001286974258 1061767513 /nfs/dbraw/zinc/76/75/13/1061767513.db2.gz CNBPTQDKTZSQGN-DLBZAZTESA-N 1 0 499.628 2.516 20 0 JFADRO Cc1cccc(OCc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290053093 1061770154 /nfs/dbraw/zinc/77/01/54/1061770154.db2.gz VRAWHPJINPFCRA-FYYLOGMGSA-N 1 0 457.619 2.995 20 0 JFADRO CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001294280626 1061771749 /nfs/dbraw/zinc/77/17/49/1061771749.db2.gz ILCQVPPLWPKIRH-HSZRJFAPSA-N 1 0 470.662 2.909 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001290058150 1061777760 /nfs/dbraw/zinc/77/77/60/1061777760.db2.gz BZSQMNRZZIZXOX-WOJBJXKFSA-N 1 0 454.619 2.988 20 0 JFADRO CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001294297057 1061785091 /nfs/dbraw/zinc/78/50/91/1061785091.db2.gz QISLSZKJADAOCY-PMACEKPBSA-N 1 0 489.665 2.893 20 0 JFADRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC001294297785 1061786077 /nfs/dbraw/zinc/78/60/77/1061786077.db2.gz CVNDXLRNHLVWKQ-NRFANRHFSA-N 1 0 451.633 2.632 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001290062958 1061786663 /nfs/dbraw/zinc/78/66/63/1061786663.db2.gz RRUBRKZWTVHETQ-CTNGQTDRSA-N 1 0 461.632 2.521 20 0 JFADRO CCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH+](CC)CC)CC2)c(C)n1 ZINC001294300468 1061789271 /nfs/dbraw/zinc/78/92/71/1061789271.db2.gz XMHJZQUKRNTMDU-NRFANRHFSA-N 1 0 456.639 2.893 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001290066648 1061790823 /nfs/dbraw/zinc/79/08/23/1061790823.db2.gz OHRHPXSVJBHDCB-SIKLNZKXSA-N 1 0 483.535 2.780 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCC[N@@H+](C)C(C)C)c1 ZINC001290066953 1061791525 /nfs/dbraw/zinc/79/15/25/1061791525.db2.gz RGNDFXMZTQIIIK-OAQYLSRUSA-N 1 0 463.648 2.909 20 0 JFADRO Cc1cccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC001290067345 1061792478 /nfs/dbraw/zinc/79/24/78/1061792478.db2.gz YDKAUVSHUZLSHR-FDFHNCONSA-N 1 0 484.645 2.757 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 ZINC001294306743 1061794038 /nfs/dbraw/zinc/79/40/38/1061794038.db2.gz COZGMCXFYLETMX-ZVDOUQERSA-N 1 0 494.662 2.714 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001294307822 1061794874 /nfs/dbraw/zinc/79/48/74/1061794874.db2.gz FOFWTJVKVQLYCU-NRFANRHFSA-N 1 0 471.650 2.711 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001294309168 1061798560 /nfs/dbraw/zinc/79/85/60/1061798560.db2.gz ZXXMNDOADQDIEV-AZUAARDMSA-N 1 0 461.655 2.518 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294309200 1061798596 /nfs/dbraw/zinc/79/85/96/1061798596.db2.gz SLPPSFMIBZEHIJ-VAMGGRTRSA-N 1 0 459.591 2.861 20 0 JFADRO C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC001286978441 1061798506 /nfs/dbraw/zinc/79/85/06/1061798506.db2.gz GZIWANXXJBSYHZ-RBUKOAKNSA-N 1 0 485.658 2.581 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001294309360 1061799061 /nfs/dbraw/zinc/79/90/61/1061799061.db2.gz VXIGVHDTWFSVFQ-NJDAHSKKSA-N 1 0 496.722 2.674 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294309940 1061799836 /nfs/dbraw/zinc/79/98/36/1061799836.db2.gz CZRSTJZAMGYUFN-MJGOQNOKSA-N 1 0 496.582 2.838 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2CCS(=O)(=O)CC2)c1 ZINC001290072540 1061800794 /nfs/dbraw/zinc/80/07/94/1061800794.db2.gz BNCHFTHKYNVSOD-UHFFFAOYSA-N 1 0 475.659 2.768 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294309941 1061800899 /nfs/dbraw/zinc/80/08/99/1061800899.db2.gz CZRSTJZAMGYUFN-PKOBYXMFSA-N 1 0 496.582 2.838 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 ZINC001294311700 1061802487 /nfs/dbraw/zinc/80/24/87/1061802487.db2.gz NUGNNXMUMCOTIB-PWRODBHTSA-N 1 0 473.666 2.769 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001294312095 1061803316 /nfs/dbraw/zinc/80/33/16/1061803316.db2.gz UBYLFGZRDUJPEZ-HXUWFJFHSA-N 1 0 477.679 2.693 20 0 JFADRO Cc1cccc(OCc2nnc(N3CC[NH+](CC(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001290075239 1061804012 /nfs/dbraw/zinc/80/40/12/1061804012.db2.gz UKXYUBGZIXNKDB-UHFFFAOYSA-N 1 0 464.614 2.999 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001294314652 1061805747 /nfs/dbraw/zinc/80/57/47/1061805747.db2.gz HTURPLDINZAJJN-HMXCVIKNSA-N 1 0 490.674 2.649 20 0 JFADRO C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001286979563 1061807874 /nfs/dbraw/zinc/80/78/74/1061807874.db2.gz VQUWFABLLGWYSG-DRSNIGMVSA-N 1 0 499.678 2.691 20 0 JFADRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001294315661 1061808032 /nfs/dbraw/zinc/80/80/32/1061808032.db2.gz CKWOWZNAHCNKKY-GMAHTHKFSA-N 1 0 484.645 2.771 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001294316068 1061809532 /nfs/dbraw/zinc/80/95/32/1061809532.db2.gz DIQQVZNGAYEDPY-AZUAARDMSA-N 1 0 458.582 2.962 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001294316594 1061810815 /nfs/dbraw/zinc/81/08/15/1061810815.db2.gz HOWLAPWMKXPALI-LEWJYISDSA-N 1 0 457.623 2.794 20 0 JFADRO CC(C)(C)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001286980562 1061813803 /nfs/dbraw/zinc/81/38/03/1061813803.db2.gz DLDGMWVPVCLLJF-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001294317951 1061816613 /nfs/dbraw/zinc/81/66/13/1061816613.db2.gz ZDDYTJUVYKQQJC-KSZLIROESA-N 1 0 493.596 2.602 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC2)C1 ZINC001294318751 1061819357 /nfs/dbraw/zinc/81/93/57/1061819357.db2.gz WOLVERNVMQHRCW-WOJBJXKFSA-N 1 0 482.633 2.542 20 0 JFADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001290087441 1061821092 /nfs/dbraw/zinc/82/10/92/1061821092.db2.gz SOOFZCJEJIUAGB-FQEVSTJZSA-N 1 0 461.614 2.921 20 0 JFADRO Cc1ccccc1C(=O)NC1CCN(c2nnc(C(=O)NC(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001290087403 1061821162 /nfs/dbraw/zinc/82/11/62/1061821162.db2.gz RGAJIPSBGZBVCD-UHFFFAOYSA-N 1 0 495.672 2.998 20 0 JFADRO Cc1cccc(OCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001290087881 1061822017 /nfs/dbraw/zinc/82/20/17/1061822017.db2.gz ZZQPYZHDUMCITG-IBGZPJMESA-N 1 0 461.632 2.534 20 0 JFADRO Cc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C ZINC001290092969 1061824198 /nfs/dbraw/zinc/82/41/98/1061824198.db2.gz CKICYKLXVSITQB-PZJWPPBQSA-N 1 0 492.690 2.705 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294322034 1061826624 /nfs/dbraw/zinc/82/66/24/1061826624.db2.gz PKLOMPFNKVBPCP-YJLYGGOZSA-N 1 0 490.052 2.581 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC001294325093 1061832697 /nfs/dbraw/zinc/83/26/97/1061832697.db2.gz JDHINGUNHXVERT-BDTNDASRSA-N 1 0 498.676 2.613 20 0 JFADRO Cc1ccccc1-c1nnc(N(C)CC(=O)N2CCOCC2)n1CCC[NH+]1CCC(C)CC1 ZINC001290103809 1061833042 /nfs/dbraw/zinc/83/30/42/1061833042.db2.gz PEWMNTIQVZPFNI-UHFFFAOYSA-N 1 0 454.619 2.671 20 0 JFADRO Cc1ccccc1-c1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001290112749 1061841133 /nfs/dbraw/zinc/84/11/33/1061841133.db2.gz KWYDQVJXOSVNFR-IEBWSBKVSA-N 1 0 494.562 2.727 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294327488 1061842883 /nfs/dbraw/zinc/84/28/83/1061842883.db2.gz VNQYRFUFOOKAOO-XPNTWCBSSA-N 1 0 498.676 2.613 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1 ZINC001294328611 1061845934 /nfs/dbraw/zinc/84/59/34/1061845934.db2.gz DUJUDTHHZNMAPV-PWRODBHTSA-N 1 0 473.666 2.626 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)C[NH+]2CCCCC2)C1 ZINC001294328716 1061846868 /nfs/dbraw/zinc/84/68/68/1061846868.db2.gz GKIYEDYPPAVPQL-CIAFKFPVSA-N 1 0 487.693 2.872 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294330686 1061849861 /nfs/dbraw/zinc/84/98/61/1061849861.db2.gz PQCUGNKBSGTVOP-DOIPELPJSA-N 1 0 487.693 2.871 20 0 JFADRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001294330685 1061850166 /nfs/dbraw/zinc/85/01/66/1061850166.db2.gz PQCUGNKBSGTVOP-BQJUDKOJSA-N 1 0 487.693 2.871 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1CCOCC[NH+](C)C ZINC001290127095 1061857174 /nfs/dbraw/zinc/85/71/74/1061857174.db2.gz YJVNQUOPBVJYCS-FQEVSTJZSA-N 1 0 456.635 2.963 20 0 JFADRO Cc1ccccc1-c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CCC[N@@H+](C)C(C)C ZINC001290130661 1061865291 /nfs/dbraw/zinc/86/52/91/1061865291.db2.gz YKJAOSIMAGDRHN-UHFFFAOYSA-N 1 0 476.629 2.804 20 0 JFADRO CC(C)(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001286986978 1061867074 /nfs/dbraw/zinc/86/70/74/1061867074.db2.gz ZGVSMRCXUHLYHL-UHFFFAOYSA-N 1 0 486.636 2.719 20 0 JFADRO CCN1C(=O)C[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H]1c1cccc(C)c1 ZINC001294335470 1061870047 /nfs/dbraw/zinc/87/00/47/1061870047.db2.gz ZSPMRRSIGSWNMO-XUZZJYLKSA-N 1 0 456.631 2.647 20 0 JFADRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)CC1 ZINC001294335403 1061870203 /nfs/dbraw/zinc/87/02/03/1061870203.db2.gz XRAPGDBPPLAVIG-UHFFFAOYSA-N 1 0 455.578 2.857 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294336039 1061873811 /nfs/dbraw/zinc/87/38/11/1061873811.db2.gz HBSPONGTNYWEHG-QUCCMNQESA-N 1 0 470.618 2.799 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294336042 1061873856 /nfs/dbraw/zinc/87/38/56/1061873856.db2.gz HBSPONGTNYWEHG-UYAOXDASSA-N 1 0 470.618 2.799 20 0 JFADRO CC(C)(C)c1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCC[NH+]2CCOCC2)cc1 ZINC001286988466 1061876386 /nfs/dbraw/zinc/87/63/86/1061876386.db2.gz BZSSCXNIAICLQH-NRFANRHFSA-N 1 0 498.672 2.969 20 0 JFADRO Cc1ccccc1CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001290145044 1061881599 /nfs/dbraw/zinc/88/15/99/1061881599.db2.gz GOVCIBNCGNIWSJ-JOCHJYFZSA-N 1 0 468.646 2.917 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCCCC2)C1 ZINC001294340901 1061885114 /nfs/dbraw/zinc/88/51/14/1061885114.db2.gz AAXYYQJJTKYYMZ-SFTDATJTSA-N 1 0 470.666 2.933 20 0 JFADRO COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)c(OC)c1OC ZINC001294346428 1061901953 /nfs/dbraw/zinc/90/19/53/1061901953.db2.gz DWMJXAGFOGXWCO-SFHVURJKSA-N 1 0 459.587 2.651 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001290164501 1061904816 /nfs/dbraw/zinc/90/48/16/1061904816.db2.gz QZZWKIFTACYWMM-FQEVSTJZSA-N 1 0 488.702 2.675 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC(CC(N)=O)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001290164697 1061905299 /nfs/dbraw/zinc/90/52/99/1061905299.db2.gz VBAKWYVWJRXPPK-UHFFFAOYSA-N 1 0 481.689 2.543 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCC2)C1 ZINC001294347644 1061906077 /nfs/dbraw/zinc/90/60/77/1061906077.db2.gz GGDKJCPXZIYZCM-OAQYLSRUSA-N 1 0 453.635 2.881 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294347922 1061906586 /nfs/dbraw/zinc/90/65/86/1061906586.db2.gz VNHOBCZNTIPNRP-IRLDBZIGSA-N 1 0 497.692 2.535 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCC[N@@H+](C)C(C)C ZINC001290166206 1061909076 /nfs/dbraw/zinc/90/90/76/1061909076.db2.gz ZFYRHMBLWIUVOW-QFIPXVFZSA-N 1 0 453.635 2.948 20 0 JFADRO CC(C)(C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCNS(=O)(=O)c1ccccc1 ZINC001286998156 1061910535 /nfs/dbraw/zinc/91/05/35/1061910535.db2.gz LXMPBTXOHGQVAX-FQEVSTJZSA-N 1 0 474.675 2.866 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1CC1([NH+](C)C)CCC1 ZINC001290167364 1061910922 /nfs/dbraw/zinc/91/09/22/1061910922.db2.gz PXGBHQGBBIGRQN-OAQYLSRUSA-N 1 0 488.702 2.769 20 0 JFADRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC[N@H+](CC)C2)C1 ZINC001294349147 1061913229 /nfs/dbraw/zinc/91/32/29/1061913229.db2.gz NBTMUBAQSYBLSJ-FCHUYYIVSA-N 1 0 453.635 2.738 20 0 JFADRO CCCCNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC[N@H+](CC)C2)C1 ZINC001294349150 1061913415 /nfs/dbraw/zinc/91/34/15/1061913415.db2.gz NBTMUBAQSYBLSJ-YADHBBJMSA-N 1 0 453.635 2.738 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001290172849 1061916455 /nfs/dbraw/zinc/91/64/55/1061916455.db2.gz DEJQROXFQZJBIK-JOCHJYFZSA-N 1 0 488.702 2.914 20 0 JFADRO CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287001860 1061918718 /nfs/dbraw/zinc/91/87/18/1061918718.db2.gz ZLYFMHUTPZBWDT-UHFFFAOYSA-N 1 0 454.685 2.750 20 0 JFADRO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](C3CCC(C(C)C)CC3)CC2)cc1 ZINC001294354326 1061920900 /nfs/dbraw/zinc/92/09/00/1061920900.db2.gz JWMXOCZWBWXMQS-HDYDNRTBSA-N 1 0 451.633 2.721 20 0 JFADRO CC(C)(C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001287004214 1061921987 /nfs/dbraw/zinc/92/19/87/1061921987.db2.gz GAGRCIFUSMDUDO-YADHBBJMSA-N 1 0 489.686 2.594 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@H]1COCCO1 ZINC001290176131 1061923624 /nfs/dbraw/zinc/92/36/24/1061923624.db2.gz FTLJIVSMFJGVBH-OAQYLSRUSA-N 1 0 497.562 2.684 20 0 JFADRO Cc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001290176047 1061923674 /nfs/dbraw/zinc/92/36/74/1061923674.db2.gz DKXHKVYZPLZSTL-JOCHJYFZSA-N 1 0 488.702 2.627 20 0 JFADRO CC(C)(C)c1nnc(N2CCCN(c3nccs3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287006686 1061927895 /nfs/dbraw/zinc/92/78/95/1061927895.db2.gz YGNOTGSNBAAGAV-IBGZPJMESA-N 1 0 461.680 2.986 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001294359229 1061930453 /nfs/dbraw/zinc/93/04/53/1061930453.db2.gz WMVJTBUJHRJPIZ-DEOSSOPVSA-N 1 0 473.691 2.854 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001294359696 1061931477 /nfs/dbraw/zinc/93/14/77/1061931477.db2.gz RRENVUHZVGMSPR-PGRDOPGGSA-N 1 0 470.618 2.873 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001294359698 1061931699 /nfs/dbraw/zinc/93/16/99/1061931699.db2.gz RRENVUHZVGMSPR-XMSQKQJNSA-N 1 0 470.618 2.873 20 0 JFADRO CCCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294359820 1061932148 /nfs/dbraw/zinc/93/21/48/1061932148.db2.gz TVYCDJWVSZXQEM-VWPQPMDRSA-N 1 0 490.693 2.803 20 0 JFADRO CC(C)(C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O ZINC001287007870 1061932942 /nfs/dbraw/zinc/93/29/42/1061932942.db2.gz KBGSHVBMWNLLCY-MOPGFXCFSA-N 1 0 466.696 2.700 20 0 JFADRO 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C[C@@H]1C[NH+](CCCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001294413980 1061979163 /nfs/dbraw/zinc/97/91/63/1061979163.db2.gz GIYGWWJBKKEDEX-KNKQGSTJSA-N 1 0 458.603 2.969 20 0 JFADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001294418616 1061983783 /nfs/dbraw/zinc/98/37/83/1061983783.db2.gz IRMPRSXRZCLAAF-GOSISDBHSA-N 1 0 477.679 2.894 20 0 JFADRO CCCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1([NH+](C)C)CCOCC1 ZINC001294418470 1061983959 /nfs/dbraw/zinc/98/39/59/1061983959.db2.gz GWGCSQSXBCDPMQ-UHFFFAOYSA-N 1 0 463.652 2.504 20 0 JFADRO CC(C)(C)Cc1nnc(N2CCN(C(=O)Cc3ccccc3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001287032607 1061988020 /nfs/dbraw/zinc/98/80/20/1061988020.db2.gz RPPGTDIIHZULPK-HSZRJFAPSA-N 1 0 482.673 2.605 20 0 JFADRO CCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001294434497 1061988080 /nfs/dbraw/zinc/98/80/80/1061988080.db2.gz CUUCGZYNMYMBDP-UHFFFAOYSA-N 1 0 467.618 2.928 20 0 JFADRO CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001294442987 1061993504 /nfs/dbraw/zinc/99/35/04/1061993504.db2.gz SHUCMOYBARSWSM-VXKWHMMOSA-N 1 0 490.674 2.603 20 0 JFADRO CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC001294442986 1061993594 /nfs/dbraw/zinc/99/35/94/1061993594.db2.gz SHUCMOYBARSWSM-FGZHOGPDSA-N 1 0 490.674 2.603 20 0 JFADRO O=C(NCCC[NH+]1CCCC1)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001290265564 1061996138 /nfs/dbraw/zinc/99/61/38/1061996138.db2.gz NKPADJHFYGUADC-MJGOQNOKSA-N 1 0 457.434 2.645 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001294453778 1061998604 /nfs/dbraw/zinc/99/86/04/1061998604.db2.gz GKUMLGOLCQFRKB-ROUUACIJSA-N 1 0 475.663 2.894 20 0 JFADRO Cc1cnn([C@@H]2CCCN(c3nnc(CNC(=O)c4cccs4)n3CC[N@@H+](C)C(C)C)C2)c1 ZINC001290270979 1062000168 /nfs/dbraw/zinc/00/01/68/1062000168.db2.gz CYMMQERNNUARHM-LJQANCHMSA-N 1 0 470.647 2.956 20 0 JFADRO 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CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(S(C)(=O)=O)CC2)C1 ZINC001294456119 1062004036 /nfs/dbraw/zinc/00/40/36/1062004036.db2.gz IBPYIYLEZVZVFT-HNNXBMFYSA-N 1 0 499.479 2.781 20 0 JFADRO Cc1cnn(C[C@@H]2CN(c3nnc([C@H](C)Oc4ccccc4F)n3C[C@H](C)[NH+](C)C)CCO2)c1 ZINC001290279257 1062008804 /nfs/dbraw/zinc/00/88/04/1062008804.db2.gz JIPJHEZKZHUVNM-UFYCRDLUSA-N 1 0 471.581 2.918 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294460723 1062008917 /nfs/dbraw/zinc/00/89/17/1062008917.db2.gz JHMQOULQFRBVKO-TZIWHRDSSA-N 1 0 490.674 2.546 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001294461770 1062011158 /nfs/dbraw/zinc/01/11/58/1062011158.db2.gz DOFOUDJJEMQSMC-VQTJNVASSA-N 1 0 490.674 2.546 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287042560 1062012729 /nfs/dbraw/zinc/01/27/29/1062012729.db2.gz QKTCFTIAHBMADJ-LJQANCHMSA-N 1 0 481.567 2.914 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 ZINC001294462892 1062012949 /nfs/dbraw/zinc/01/29/49/1062012949.db2.gz NHVWJLHTVHTLGJ-FQEVSTJZSA-N 1 0 454.623 2.696 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001287042538 1062012948 /nfs/dbraw/zinc/01/29/48/1062012948.db2.gz CDTLDPQXVDQGAI-UHFFFAOYSA-N 1 0 459.904 2.593 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)CC1 ZINC001287042738 1062013398 /nfs/dbraw/zinc/01/33/98/1062013398.db2.gz FOFWZOHJPUYIHA-UHFFFAOYSA-N 1 0 454.575 2.920 20 0 JFADRO CC(C)(C)[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCC2)CC1 ZINC001287043217 1062014709 /nfs/dbraw/zinc/01/47/09/1062014709.db2.gz UHPGQOLAKKMXCK-UHFFFAOYSA-N 1 0 461.010 2.697 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCC)C1 ZINC001294466688 1062015523 /nfs/dbraw/zinc/01/55/23/1062015523.db2.gz CPURUORAXJHOSE-PMACEKPBSA-N 1 0 480.654 2.791 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC001294467349 1062016000 /nfs/dbraw/zinc/01/60/00/1062016000.db2.gz FMSYTYDXXPRYTN-ZWKOTPCHSA-N 1 0 477.654 2.701 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)c2c(C)noc2C)C1 ZINC001294468800 1062019306 /nfs/dbraw/zinc/01/93/06/1062019306.db2.gz QDUHYEVAFDTLCX-LSTHTHJFSA-N 1 0 478.663 2.757 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2ccccc2)C1 ZINC001294469034 1062020788 /nfs/dbraw/zinc/02/07/88/1062020788.db2.gz TWMPALKYUWROAB-YADHBBJMSA-N 1 0 459.660 2.981 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001287045108 1062022308 /nfs/dbraw/zinc/02/23/08/1062022308.db2.gz JCUOJHBVFPLALA-MOPGFXCFSA-N 1 0 488.599 2.746 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCC[C@H]2C)C1 ZINC001294469672 1062023056 /nfs/dbraw/zinc/02/30/56/1062023056.db2.gz DWPINEDLKZETFZ-YDIMBITNSA-N 1 0 474.675 2.989 20 0 JFADRO CC(C)(C)[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001287045664 1062025080 /nfs/dbraw/zinc/02/50/80/1062025080.db2.gz LTLUELTYCRTJMS-HXUWFJFHSA-N 1 0 460.648 2.542 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC2CCCCC2)C1 ZINC001294470812 1062025014 /nfs/dbraw/zinc/02/50/14/1062025014.db2.gz NEVYZVOAOMMXPB-OAQYLSRUSA-N 1 0 470.666 2.757 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(=O)OC)CC2)C1 ZINC001294470916 1062025710 /nfs/dbraw/zinc/02/57/10/1062025710.db2.gz FQDOZJAQPJJCKW-OAQYLSRUSA-N 1 0 469.634 2.910 20 0 JFADRO CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)c1 ZINC001290298580 1062028007 /nfs/dbraw/zinc/02/80/07/1062028007.db2.gz NMQQENQUAPKGMK-UHFFFAOYSA-N 1 0 459.572 2.634 20 0 JFADRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)C1 ZINC001294475965 1062028231 /nfs/dbraw/zinc/02/82/31/1062028231.db2.gz YATWBZCJTJHVCH-IRFCIJBXSA-N 1 0 462.664 2.853 20 0 JFADRO CCCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCSCC2)CCCCC1 ZINC001294482944 1062031830 /nfs/dbraw/zinc/03/18/30/1062031830.db2.gz RTYRTMACOFKIDZ-SFHVURJKSA-N 1 0 472.725 2.876 20 0 JFADRO Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC001290306158 1062033388 /nfs/dbraw/zinc/03/33/88/1062033388.db2.gz KFQRHJBEJSIGIZ-INIZCTEOSA-N 1 0 458.353 2.577 20 0 JFADRO Cc1coc(C)c1Cn1c(CC(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001290307632 1062034892 /nfs/dbraw/zinc/03/48/92/1062034892.db2.gz QVDXXPLYJDVDAV-JOCHJYFZSA-N 1 0 458.651 2.966 20 0 JFADRO NS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC001290310174 1062035878 /nfs/dbraw/zinc/03/58/78/1062035878.db2.gz DFYPFXWZVQSENH-UHFFFAOYSA-N 1 0 452.802 2.746 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294505142 1062040379 /nfs/dbraw/zinc/04/03/79/1062040379.db2.gz GPJMCFYWDTUION-LJQANCHMSA-N 1 0 455.607 2.546 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001294505473 1062040891 /nfs/dbraw/zinc/04/08/91/1062040891.db2.gz JWZSKNXXWMMMDP-MSOLQXFVSA-N 1 0 460.554 2.930 20 0 JFADRO Cc1csc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3C[N@H+](CC(C)C)CCO3)C2)n1 ZINC001290317209 1062040883 /nfs/dbraw/zinc/04/08/83/1062040883.db2.gz DDGHVWHIQKVVFY-WOJBJXKFSA-N 1 0 489.690 2.922 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnccn2)CC1 ZINC001294505619 1062041379 /nfs/dbraw/zinc/04/13/79/1062041379.db2.gz CJZPFTOIPZGKPV-UHFFFAOYSA-N 1 0 450.591 2.802 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 ZINC001294505485 1062041637 /nfs/dbraw/zinc/04/16/37/1062041637.db2.gz KEGORWVOHUMUDC-VWLOTQADSA-N 1 0 454.619 2.998 20 0 JFADRO CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(OC)c2)CC1 ZINC001294505523 1062041828 /nfs/dbraw/zinc/04/18/28/1062041828.db2.gz LEEJAIYLQCQFCP-UHFFFAOYSA-N 1 0 469.634 2.581 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294514757 1062049883 /nfs/dbraw/zinc/04/98/83/1062049883.db2.gz CANNNQUVYAHDHQ-VWLOTQADSA-N 1 0 464.618 2.825 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001294515400 1062051744 /nfs/dbraw/zinc/05/17/44/1062051744.db2.gz GGRXDDVUBCMILF-QGZVFWFLSA-N 1 0 467.574 2.715 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001294516205 1062052698 /nfs/dbraw/zinc/05/26/98/1062052698.db2.gz OFLZMIOEALAAHJ-IBGZPJMESA-N 1 0 477.654 2.702 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001294516475 1062053303 /nfs/dbraw/zinc/05/33/03/1062053303.db2.gz SVSHHTXEAHHEOC-UHFFFAOYSA-N 1 0 458.014 2.786 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2F)C[C@H]1C ZINC001294516265 1062053740 /nfs/dbraw/zinc/05/37/40/1062053740.db2.gz QHUOEPMSDINASJ-UYAOXDASSA-N 1 0 457.598 2.815 20 0 JFADRO CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCC(CC(N)=O)CC2)n1CC[N@H+]1CC=CCC1 ZINC001287051905 1062053746 /nfs/dbraw/zinc/05/37/46/1062053746.db2.gz RGVJKSQVPIJSLT-FQEVSTJZSA-N 1 0 487.649 2.704 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294518867 1062054125 /nfs/dbraw/zinc/05/41/25/1062054125.db2.gz AYLVTWZIIHIXNK-UXHICEINSA-N 1 0 491.681 2.791 20 0 JFADRO CCC[N@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001294516534 1062054223 /nfs/dbraw/zinc/05/42/23/1062054223.db2.gz VHKAMAODPVVPND-HDICACEKSA-N 1 0 463.652 2.584 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001294518943 1062054845 /nfs/dbraw/zinc/05/48/45/1062054845.db2.gz CNAIPZZOCPPQCB-QFIPXVFZSA-N 1 0 491.658 2.926 20 0 JFADRO C[NH+](C)CCN1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)CC1 ZINC001290337263 1062056702 /nfs/dbraw/zinc/05/67/02/1062056702.db2.gz KQNUDOUJEQACBV-UHFFFAOYSA-N 1 0 457.415 2.888 20 0 JFADRO Cc1csc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC001290341100 1062057090 /nfs/dbraw/zinc/05/70/90/1062057090.db2.gz YJPFPUFTYVDPDY-IBGZPJMESA-N 1 0 460.648 2.764 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(=O)NC)CC1 ZINC001294527882 1062063738 /nfs/dbraw/zinc/06/37/38/1062063738.db2.gz QMEKWLGNCXEYRW-UHFFFAOYSA-N 1 0 451.619 2.975 20 0 JFADRO CCC[N@H+](CC)CCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001294527847 1062063839 /nfs/dbraw/zinc/06/38/39/1062063839.db2.gz QBKUJRYDMVXQAA-FQEVSTJZSA-N 1 0 458.632 2.636 20 0 JFADRO CCC[N@H+](CC)CCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001294527525 1062063955 /nfs/dbraw/zinc/06/39/55/1062063955.db2.gz OHDOQAAIFFROPM-XMMPIXPASA-N 1 0 456.591 2.928 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001294528583 1062064643 /nfs/dbraw/zinc/06/46/43/1062064643.db2.gz DRLNNOLERHRUAP-RTWAWAEBSA-N 1 0 491.681 2.603 20 0 JFADRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001294529955 1062066686 /nfs/dbraw/zinc/06/66/86/1062066686.db2.gz SQMULXBAKNBKTF-UQBPGWFLSA-N 1 0 489.665 2.798 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001294544274 1062073141 /nfs/dbraw/zinc/07/31/41/1062073141.db2.gz VEASWNJIMIMWPZ-YADHBBJMSA-N 1 0 461.603 2.856 20 0 JFADRO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC001287056259 1062075447 /nfs/dbraw/zinc/07/54/47/1062075447.db2.gz APYJIPRYJBVMAM-NHCUHLMSSA-N 1 0 485.633 2.680 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C1 ZINC001287056230 1062075659 /nfs/dbraw/zinc/07/56/59/1062075659.db2.gz ACSXLOHGAVQKBP-IBGZPJMESA-N 1 0 496.616 2.681 20 0 JFADRO CCCN(CC1CC1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001294551349 1062076046 /nfs/dbraw/zinc/07/60/46/1062076046.db2.gz RYRLOBQNAVWGIA-GLDPYIMESA-N 1 0 462.639 2.742 20 0 JFADRO CCOC(Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1N)OCC ZINC001294554964 1062077434 /nfs/dbraw/zinc/07/74/34/1062077434.db2.gz SSFWCSSKRJBZFM-RBBKRZOGSA-N 1 0 455.603 2.991 20 0 JFADRO CCCN(CCC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001294563514 1062080503 /nfs/dbraw/zinc/08/05/03/1062080503.db2.gz HPMPOEMWDMYXJP-ACRUOGEOSA-N 1 0 498.738 2.994 20 0 JFADRO CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001287057437 1062081315 /nfs/dbraw/zinc/08/13/15/1062081315.db2.gz OKPAHCZIOKJCFX-PMACEKPBSA-N 1 0 462.639 2.886 20 0 JFADRO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC001294565199 1062082272 /nfs/dbraw/zinc/08/22/72/1062082272.db2.gz YFUYRVZPTUBONB-VQIMIIECSA-N 1 0 451.409 2.652 20 0 JFADRO CCC[NH+](CCC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294570787 1062083443 /nfs/dbraw/zinc/08/34/43/1062083443.db2.gz MHCSPDSNHHGVTH-SFHVURJKSA-N 1 0 480.617 2.773 20 0 JFADRO Cc1nc([C@@H]2CN(c3nnc(COc4ccc(C)c(C)c4)n3C[C@H](C)[NH+](C)C)CCO2)no1 ZINC001290382113 1062083837 /nfs/dbraw/zinc/08/38/37/1062083837.db2.gz RLFRLPJSRKSKFV-PXNSSMCTSA-N 1 0 455.563 2.693 20 0 JFADRO CCC[NH+](CCC)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001294572393 1062085412 /nfs/dbraw/zinc/08/54/12/1062085412.db2.gz SYIQGARECRSXHG-UHFFFAOYSA-N 1 0 487.693 2.719 20 0 JFADRO CCC[NH+](CCC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 ZINC001294574516 1062088490 /nfs/dbraw/zinc/08/84/90/1062088490.db2.gz WUEVMJMWNYYWPZ-FQEVSTJZSA-N 1 0 499.747 2.795 20 0 JFADRO Cc1nc(Cc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCCCC2)cs1 ZINC001290385838 1062089883 /nfs/dbraw/zinc/08/98/83/1062089883.db2.gz MIHUEQHOTIZMJE-GOSISDBHSA-N 1 0 466.677 2.522 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001287060672 1062094177 /nfs/dbraw/zinc/09/41/77/1062094177.db2.gz DOCWBQXCARTBHC-PMACEKPBSA-N 1 0 489.665 2.846 20 0 JFADRO CC(C)(C)OC(=O)NC[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001287060676 1062094733 /nfs/dbraw/zinc/09/47/33/1062094733.db2.gz DOCWBQXCARTBHC-WOJBJXKFSA-N 1 0 489.665 2.846 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCC[NH+]2CCCC2)C1 ZINC001287060675 1062094757 /nfs/dbraw/zinc/09/47/57/1062094757.db2.gz DOCWBQXCARTBHC-VQTJNVASSA-N 1 0 489.665 2.846 20 0 JFADRO CCCN(CCn1c(-c2cnccn2)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001294585558 1062096905 /nfs/dbraw/zinc/09/69/05/1062096905.db2.gz QUVGPOUQNDNKNB-SFHVURJKSA-N 1 0 458.611 2.913 20 0 JFADRO Cc1nc(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2CC[NH+]2CCSCC2)cs1 ZINC001290397046 1062097611 /nfs/dbraw/zinc/09/76/11/1062097611.db2.gz CPGVVLCOMQTGHN-UHFFFAOYSA-N 1 0 467.068 2.706 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC001287061661 1062098438 /nfs/dbraw/zinc/09/84/38/1062098438.db2.gz MMAZBDJFOQYZFQ-UNMCSNQZSA-N 1 0 499.660 2.928 20 0 JFADRO Cc1nc(Cc2nnc(N(C)CCN3CCOCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)cs1 ZINC001290402496 1062107766 /nfs/dbraw/zinc/10/77/66/1062107766.db2.gz YQCSQENYAHBUAP-JOCHJYFZSA-N 1 0 487.649 2.844 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCC2)C1 ZINC001287062668 1062109397 /nfs/dbraw/zinc/10/93/97/1062109397.db2.gz DDPMXAPNXANRES-SFHVURJKSA-N 1 0 456.595 2.572 20 0 JFADRO CCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001294603275 1062113307 /nfs/dbraw/zinc/11/33/07/1062113307.db2.gz VYWVIICBUOTKPT-XMSQKQJNSA-N 1 0 470.618 2.751 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2CCC(O)CC2)CCO1 ZINC001287065243 1062134156 /nfs/dbraw/zinc/13/41/56/1062134156.db2.gz BMGPHIDXMLRPMD-OAQYLSRUSA-N 1 0 492.665 2.512 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290416162 1062137693 /nfs/dbraw/zinc/13/76/93/1062137693.db2.gz ZHAKZKRIVPGLRO-HSZRJFAPSA-N 1 0 471.606 2.607 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[N@@H+](C)Cc2ccc(F)cc2)cs1 ZINC001290416163 1062137748 /nfs/dbraw/zinc/13/77/48/1062137748.db2.gz ZHAKZKRIVPGLRO-QHCPKHFHSA-N 1 0 471.606 2.607 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC001294631571 1062138057 /nfs/dbraw/zinc/13/80/57/1062138057.db2.gz BKAWJCDDYHHQIX-LJQANCHMSA-N 1 0 475.663 2.881 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1 ZINC001294632457 1062140198 /nfs/dbraw/zinc/14/01/98/1062140198.db2.gz IUUQGHYCVPQDIN-FGZHOGPDSA-N 1 0 495.672 2.795 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCCN(C(=O)c3cccc(C)c3)CC2)C1 ZINC001294634355 1062144419 /nfs/dbraw/zinc/14/44/19/1062144419.db2.gz SUFODTJGLWSZOJ-JOCHJYFZSA-N 1 0 495.672 2.809 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)C1 ZINC001294633974 1062144455 /nfs/dbraw/zinc/14/44/55/1062144455.db2.gz QQWLPMOHLLLKFT-NRFANRHFSA-N 1 0 481.645 2.938 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](Oc3ncccc3F)C2)C1 ZINC001294634929 1062146628 /nfs/dbraw/zinc/14/66/28/1062146628.db2.gz VQYAMZHEYJXSGP-RBUKOAKNSA-N 1 0 473.597 2.730 20 0 JFADRO CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnc(CC3CC3)n2CCC[NH+]2CCCCC2)CCO1 ZINC001287066413 1062148535 /nfs/dbraw/zinc/14/85/35/1062148535.db2.gz MZMGTFASMVUGGR-HXUWFJFHSA-N 1 0 462.639 2.837 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@H](CN4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417849 1062148531 /nfs/dbraw/zinc/14/85/31/1062148531.db2.gz PULMSYNOMWFXTK-IRLDBZIGSA-N 1 0 475.707 2.769 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC(CCCO)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cs1 ZINC001290418160 1062149815 /nfs/dbraw/zinc/14/98/15/1062149815.db2.gz QQNOLZOAPFALHS-JOCHJYFZSA-N 1 0 476.691 2.980 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(c3nc(C)cc(OC)n3)CC2)CC1 ZINC001294637253 1062150510 /nfs/dbraw/zinc/15/05/10/1062150510.db2.gz CXTWYZCQMNLQSF-UHFFFAOYSA-N 1 0 456.639 2.957 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001294638967 1062152930 /nfs/dbraw/zinc/15/29/30/1062152930.db2.gz RNXLRTOOPCIGNB-DPLHUUCSSA-N 1 0 473.710 2.902 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCO[C@@H](c3ccccc3)C2)C1 ZINC001294640817 1062158520 /nfs/dbraw/zinc/15/85/20/1062158520.db2.gz GFEWZNPWQBKFTA-JAXLGGSGSA-N 1 0 490.674 2.588 20 0 JFADRO CC(C)(C)OC(=O)NCCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001287067576 1062162046 /nfs/dbraw/zinc/16/20/46/1062162046.db2.gz UUZCZQXOEXWBCO-JOCHJYFZSA-N 1 0 499.660 2.727 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC(=O)NC(C)C)C1 ZINC001294642877 1062166205 /nfs/dbraw/zinc/16/62/05/1062166205.db2.gz WENJOSGTAGBSCR-OAHLLOKOSA-N 1 0 466.428 2.728 20 0 JFADRO Cc1nc(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cs1 ZINC001290424182 1062166727 /nfs/dbraw/zinc/16/67/27/1062166727.db2.gz QYSAUBNXRDTAMB-ICSRJNTNSA-N 1 0 459.664 2.846 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001294643308 1062167499 /nfs/dbraw/zinc/16/74/99/1062167499.db2.gz ZQVSSCAOOCCCHV-YSIASYRMSA-N 1 0 452.669 2.779 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001294643276 1062167725 /nfs/dbraw/zinc/16/77/25/1062167725.db2.gz YVAFVGIEBCHZMH-QYZOEREBSA-N 1 0 458.582 2.956 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N[C@H](C)CC)CC2)C1 ZINC001294645286 1062171560 /nfs/dbraw/zinc/17/15/60/1062171560.db2.gz ATANGAPXMLEJAC-TZIWHRDSSA-N 1 0 471.650 2.615 20 0 JFADRO CC(C)(C)OC(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001287068619 1062173308 /nfs/dbraw/zinc/17/33/08/1062173308.db2.gz CLPWVWDJDBPNNX-LJQANCHMSA-N 1 0 470.622 2.962 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294646510 1062176309 /nfs/dbraw/zinc/17/63/09/1062176309.db2.gz LJMLIXSQEIGLCV-WIYYLYMNSA-N 1 0 461.632 2.699 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001294647006 1062179613 /nfs/dbraw/zinc/17/96/13/1062179613.db2.gz QSBZNCOAVSWHHG-FUHWJXTLSA-N 1 0 482.050 2.962 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCOC(C)(C)C2)C1 ZINC001294647090 1062180749 /nfs/dbraw/zinc/18/07/49/1062180749.db2.gz BHTMPZJKXGBCEJ-GOSISDBHSA-N 1 0 461.632 2.696 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C(=O)NC)CC2)C1 ZINC001294647242 1062181659 /nfs/dbraw/zinc/18/16/59/1062181659.db2.gz RQMOCRKFBLQIOJ-MRXNPFEDSA-N 1 0 463.989 2.931 20 0 JFADRO CCC[NH+]1CCC(Cn2c(-c3ccccc3F)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)CC1 ZINC001294647851 1062184799 /nfs/dbraw/zinc/18/47/99/1062184799.db2.gz LHIZPSTVTAUANQ-IBGZPJMESA-N 1 0 478.638 2.724 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001294648032 1062185731 /nfs/dbraw/zinc/18/57/31/1062185731.db2.gz YCRJJUGGHZJVRT-LJQANCHMSA-N 1 0 470.618 2.799 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)cs1 ZINC001290430952 1062188715 /nfs/dbraw/zinc/18/87/15/1062188715.db2.gz FGXBZUHTSZXFAI-NRFANRHFSA-N 1 0 461.680 2.521 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cnn(-c4ccccc4)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 ZINC001294649626 1062192049 /nfs/dbraw/zinc/19/20/49/1062192049.db2.gz FFUXVWNDVDBHJX-MOPGFXCFSA-N 1 0 450.591 2.563 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cs1 ZINC001290431740 1062193046 /nfs/dbraw/zinc/19/30/46/1062193046.db2.gz JKYDDKAICBMNSV-IEBWSBKVSA-N 1 0 459.664 2.669 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCNC(=O)C2)C1 ZINC001294650872 1062195604 /nfs/dbraw/zinc/19/56/04/1062195604.db2.gz WHVHTXZWHJJOFD-INIZCTEOSA-N 1 0 461.408 2.684 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655714 1062200372 /nfs/dbraw/zinc/20/03/72/1062200372.db2.gz BZCSKJPMMLXXJV-LEWJYISDSA-N 1 0 475.659 2.947 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)c2nccs2)C1 ZINC001294655886 1062200819 /nfs/dbraw/zinc/20/08/19/1062200819.db2.gz DDXDKLJRJYEYNK-SQNIBIBYSA-N 1 0 466.677 2.609 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CC)Cc2ccc(OC)cc2)C1 ZINC001294655722 1062201258 /nfs/dbraw/zinc/20/12/58/1062201258.db2.gz BZCSKJPMMLXXJV-SFTDATJTSA-N 1 0 475.659 2.947 20 0 JFADRO Cc1nc(Cc2nnc(N3CCN4C(=O)N(C)C[C@H]4C3)n2CCC[NH+](C(C)C)C(C)C)cs1 ZINC001290435097 1062202503 /nfs/dbraw/zinc/20/25/03/1062202503.db2.gz GZIIORHLSHFIEI-FQEVSTJZSA-N 1 0 474.679 2.699 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@H](OC)C2)C1 ZINC001294658018 1062203050 /nfs/dbraw/zinc/20/30/50/1062203050.db2.gz NOHKCOVHJHMEAA-AABGKKOBSA-N 1 0 478.638 2.544 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001294658404 1062204587 /nfs/dbraw/zinc/20/45/87/1062204587.db2.gz PNLYHGDZDBGVFY-JENIJYKNSA-N 1 0 455.694 2.632 20 0 JFADRO CCC[NH+]1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001294658408 1062204694 /nfs/dbraw/zinc/20/46/94/1062204694.db2.gz PNLYHGDZDBGVFY-ZHALLVOQSA-N 1 0 455.694 2.632 20 0 JFADRO CCC[NH+]1CCC(Cn2c(C3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001294658720 1062205974 /nfs/dbraw/zinc/20/59/74/1062205974.db2.gz SJAIEGOTXUPEJB-HXUWFJFHSA-N 1 0 466.696 2.823 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001294658974 1062206734 /nfs/dbraw/zinc/20/67/34/1062206734.db2.gz SWIYESCORGQANO-SFHVURJKSA-N 1 0 452.669 2.576 20 0 JFADRO Cc1nc(Cc2nnc(N3CCSC[C@@H]3C)n2CCCC[N@@H+]2CCC[C@@H]2CO)cs1 ZINC001290439555 1062207350 /nfs/dbraw/zinc/20/73/50/1062207350.db2.gz GDKRLKKYUKRPIJ-QFBILLFUSA-N 1 0 450.678 2.812 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001294659751 1062208428 /nfs/dbraw/zinc/20/84/28/1062208428.db2.gz XSWQYWGAZBLPEE-QPPBQGQZSA-N 1 0 487.737 2.978 20 0 JFADRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)CC1 ZINC001294659756 1062208523 /nfs/dbraw/zinc/20/85/23/1062208523.db2.gz XSWQYWGAZBLPEE-XUZZJYLKSA-N 1 0 487.737 2.978 20 0 JFADRO Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)cs1 ZINC001290440800 1062210231 /nfs/dbraw/zinc/21/02/31/1062210231.db2.gz XINNZKZXVCHWFP-VGSWGCGISA-N 1 0 470.643 2.830 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccc(F)cc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294661007 1062211638 /nfs/dbraw/zinc/21/16/38/1062211638.db2.gz HYNDZBPVBGOQNG-TZIWHRDSSA-N 1 0 463.623 2.753 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3c(F)cccc3F)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001294661959 1062213489 /nfs/dbraw/zinc/21/34/89/1062213489.db2.gz XRSPGOKVCRUQOP-SFHVURJKSA-N 1 0 481.613 2.892 20 0 JFADRO CCC[NH+]1CCC(Cn2c(Cc3ccccc3OC)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001294663085 1062215255 /nfs/dbraw/zinc/21/52/55/1062215255.db2.gz QBXRMSJEUUZJJI-LJQANCHMSA-N 1 0 454.619 2.666 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(Cc3cccnc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001294663135 1062216201 /nfs/dbraw/zinc/21/62/01/1062216201.db2.gz RFVBMDHBZDFIGH-NRFANRHFSA-N 1 0 468.650 2.626 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COc3ccc(C)cc3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001294666231 1062218776 /nfs/dbraw/zinc/21/87/76/1062218776.db2.gz BLESBERMEDUHOA-UHFFFAOYSA-N 1 0 469.634 2.749 20 0 JFADRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCC(N(C)C(=O)OCC)CC2)CC1 ZINC001294666421 1062219217 /nfs/dbraw/zinc/21/92/17/1062219217.db2.gz FDUBLTOBWMSSDT-UHFFFAOYSA-N 1 0 450.628 2.994 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(NC(C)=O)CC2)C1 ZINC001294666644 1062219788 /nfs/dbraw/zinc/21/97/88/1062219788.db2.gz IHQDOKJBXBVPBC-HXUWFJFHSA-N 1 0 470.618 2.703 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CCCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001294667539 1062222150 /nfs/dbraw/zinc/22/21/50/1062222150.db2.gz APCIEFTWTNFPNS-VXKWHMMOSA-N 1 0 459.660 2.809 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCN(CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)CC1 ZINC001294669004 1062225168 /nfs/dbraw/zinc/22/51/68/1062225168.db2.gz FCPCKKQHCJPSHD-UHFFFAOYSA-N 1 0 461.699 2.688 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cc(C)ccc3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001294670349 1062227993 /nfs/dbraw/zinc/22/79/93/1062227993.db2.gz SMKLCANDIYSGOB-LEWJYISDSA-N 1 0 475.659 2.829 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(=O)C(C)C)CC2)C1 ZINC001294670698 1062228775 /nfs/dbraw/zinc/22/87/75/1062228775.db2.gz UWUBGYKSQXYNCQ-JOCHJYFZSA-N 1 0 470.666 2.566 20 0 JFADRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@H](NC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001294671404 1062229379 /nfs/dbraw/zinc/22/93/79/1062229379.db2.gz WWRQEJKNVHZSNY-RCZVLFRGSA-N 1 0 476.666 2.546 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001294672107 1062230995 /nfs/dbraw/zinc/23/09/95/1062230995.db2.gz YJLJFYLCASGMGE-UNMCSNQZSA-N 1 0 475.659 2.911 20 0 JFADRO CCC[N@@H+]1CC[C@H](Cn2c(CC3CC3)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001294672070 1062231222 /nfs/dbraw/zinc/23/12/22/1062231222.db2.gz XMSOJVHQXVLIKN-VQTJNVASSA-N 1 0 462.639 2.692 20 0 JFADRO CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)Cc2ncc(Cl)n2C)C1 ZINC001294674933 1062234343 /nfs/dbraw/zinc/23/43/43/1062234343.db2.gz OUEKCPRFVUYFBB-UWVAXJGDSA-N 1 0 466.030 2.757 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCOC(C)(C)C2)CC1 ZINC001294675053 1062235563 /nfs/dbraw/zinc/23/55/63/1062235563.db2.gz FGPMBAACZDXUMP-AREMUKBSSA-N 1 0 492.709 2.740 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC001294675145 1062235872 /nfs/dbraw/zinc/23/58/72/1062235872.db2.gz RWGLKBUWMZXMOY-SFHVURJKSA-N 1 0 479.670 2.982 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(F)c2)CC1 ZINC001294675890 1062237467 /nfs/dbraw/zinc/23/74/67/1062237467.db2.gz SEEOKTGDROQEAD-HNNXBMFYSA-N 1 0 470.590 2.525 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001294682907 1062241330 /nfs/dbraw/zinc/24/13/30/1062241330.db2.gz KNCZEUOGQWAPMY-FQEVSTJZSA-N 1 0 470.618 2.618 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001294682933 1062241437 /nfs/dbraw/zinc/24/14/37/1062241437.db2.gz BVPRHXDOBPGMKN-IBGZPJMESA-N 1 0 477.654 2.797 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CC[S@@](=O)CC)CC1 ZINC001294684178 1062244070 /nfs/dbraw/zinc/24/40/70/1062244070.db2.gz SWQNNHOTLCGXCG-KTBRYMIGSA-N 1 0 461.632 2.870 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(Cl)cn2)CC1 ZINC001294684574 1062244699 /nfs/dbraw/zinc/24/46/99/1062244699.db2.gz RVIKEPWCMVEAFJ-SFHVURJKSA-N 1 0 461.998 2.667 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)C(=O)NC)CC1 ZINC001294684664 1062245384 /nfs/dbraw/zinc/24/53/84/1062245384.db2.gz WMDCTIVAGIMZJM-OAQYLSRUSA-N 1 0 470.618 2.873 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2CCOc2ccc(Cl)cn2)CC1 ZINC001294685465 1062246332 /nfs/dbraw/zinc/24/63/32/1062246332.db2.gz FGVRNTHEJPVYPJ-UHFFFAOYSA-N 1 0 476.025 2.839 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3csc(C)n3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001294686916 1062247280 /nfs/dbraw/zinc/24/72/80/1062247280.db2.gz QMWKPKSTDMQBPO-SFHVURJKSA-N 1 0 461.680 2.665 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC1 ZINC001294687282 1062247501 /nfs/dbraw/zinc/24/75/01/1062247501.db2.gz MFMLOWZFHZZWIW-UHFFFAOYSA-N 1 0 462.664 2.788 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2Cc2csc([C@H](C)OC)n2)CC1 ZINC001294687226 1062248093 /nfs/dbraw/zinc/24/80/93/1062248093.db2.gz XCHQBNKQRKDLIU-KRWDZBQOSA-N 1 0 475.663 2.923 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccc3OC)n2CC(=O)NCC(F)(F)F)CC1 ZINC001294687872 1062248239 /nfs/dbraw/zinc/24/82/39/1062248239.db2.gz RWXDSNMFOOYPAD-UHFFFAOYSA-N 1 0 482.551 2.867 20 0 JFADRO CCC[NH+]1CCC(N(C)c2nnc(Cc3ccncc3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001294688243 1062248569 /nfs/dbraw/zinc/24/85/69/1062248569.db2.gz UUAOVKUVLMWHKX-OAQYLSRUSA-N 1 0 495.594 2.838 20 0 JFADRO Cc1nc(CN2CCN(c3nnc(CN4CCCC4=O)n3CC[NH+](C(C)C)C(C)C)CC2)cs1 ZINC001290467974 1062254085 /nfs/dbraw/zinc/25/40/85/1062254085.db2.gz BLJOJQWIEINGSZ-UHFFFAOYSA-N 1 0 488.706 2.606 20 0 JFADRO Cc1nc(CN2CCCN(c3nnc(C(C)C)n3Cc3cccc(C[NH+](C)C)c3)CC2)no1 ZINC001290468294 1062254977 /nfs/dbraw/zinc/25/49/77/1062254977.db2.gz ORSZSTDZKIERHU-UHFFFAOYSA-N 1 0 452.607 2.915 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001294697613 1062260021 /nfs/dbraw/zinc/26/00/21/1062260021.db2.gz VCGZRQWBYBWNAX-WCXIOVBPSA-N 1 0 480.601 2.787 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001294697991 1062260067 /nfs/dbraw/zinc/26/00/67/1062260067.db2.gz HQFYHJIGCDXEDU-HXUWFJFHSA-N 1 0 489.068 2.516 20 0 JFADRO Cc1nc(CN2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C[NH+](C)C)CC2)cs1 ZINC001290470104 1062261045 /nfs/dbraw/zinc/26/10/45/1062261045.db2.gz XMKANJKMUIGUDC-LJQANCHMSA-N 1 0 461.680 2.847 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001294698952 1062262449 /nfs/dbraw/zinc/26/24/49/1062262449.db2.gz LUYWWMNHYYLQKM-FQEVSTJZSA-N 1 0 478.663 2.971 20 0 JFADRO C[NH+](C)Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)c1 ZINC001290472951 1062262723 /nfs/dbraw/zinc/26/27/23/1062262723.db2.gz JHLFBPFLEYQAFE-NRFANRHFSA-N 1 0 459.344 2.916 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 ZINC001294699319 1062263548 /nfs/dbraw/zinc/26/35/48/1062263548.db2.gz OREQPDUVAQPQKG-VQTJNVASSA-N 1 0 458.611 2.658 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001294699551 1062264258 /nfs/dbraw/zinc/26/42/58/1062264258.db2.gz QGGIBXZBRMUGMZ-QFIPXVFZSA-N 1 0 464.618 2.939 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C(=O)NC ZINC001294700396 1062265754 /nfs/dbraw/zinc/26/57/54/1062265754.db2.gz SEPKCLCLVATTBE-ICSRJNTNSA-N 1 0 470.618 2.799 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001294700400 1062266005 /nfs/dbraw/zinc/26/60/05/1062266005.db2.gz SEPKCLCLVATTBE-UYAOXDASSA-N 1 0 470.618 2.799 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001294701132 1062266821 /nfs/dbraw/zinc/26/68/21/1062266821.db2.gz WVCBTNKVODCGOZ-MOPGFXCFSA-N 1 0 470.618 2.894 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccccc2Cl)nnc1N(C)CCNS(C)(=O)=O ZINC001294701393 1062267233 /nfs/dbraw/zinc/26/72/33/1062267233.db2.gz ZDKMOSXWXVHTIG-KRWDZBQOSA-N 1 0 469.055 2.848 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001294705894 1062269667 /nfs/dbraw/zinc/26/96/67/1062269667.db2.gz FICFZRBVKHVORR-RBUKOAKNSA-N 1 0 454.685 2.601 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C ZINC001294706402 1062270164 /nfs/dbraw/zinc/27/01/64/1062270164.db2.gz JXZSAOWTVPDKGM-JOCHJYFZSA-N 1 0 497.692 2.677 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001294706714 1062270344 /nfs/dbraw/zinc/27/03/44/1062270344.db2.gz CSKSMGBSPHEBQW-LEWJYISDSA-N 1 0 460.648 2.536 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001294707197 1062271125 /nfs/dbraw/zinc/27/11/25/1062271125.db2.gz FEVDWRLQGIEFSU-FPOVZHCZSA-N 1 0 454.619 2.809 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001294707195 1062271209 /nfs/dbraw/zinc/27/12/09/1062271209.db2.gz FEVDWRLQGIEFSU-CTNGQTDRSA-N 1 0 454.619 2.809 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001294707877 1062272832 /nfs/dbraw/zinc/27/28/32/1062272832.db2.gz BTAWIJKFIBSYRC-JQYIIUTOSA-N 1 0 490.693 2.936 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)CC1 ZINC001294708407 1062274211 /nfs/dbraw/zinc/27/42/11/1062274211.db2.gz ISZMWOJJMDSIAI-QFIPXVFZSA-N 1 0 454.619 2.833 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001294708349 1062274536 /nfs/dbraw/zinc/27/45/36/1062274536.db2.gz IKMQLWXKBHHRJD-NRFANRHFSA-N 1 0 475.659 2.571 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC001294708523 1062275468 /nfs/dbraw/zinc/27/54/68/1062275468.db2.gz RHBNUNPJBJETBO-YTFSRNRJSA-N 1 0 489.709 2.821 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 ZINC001294709376 1062277010 /nfs/dbraw/zinc/27/70/10/1062277010.db2.gz VGCFGCOAYBURDM-SFTDATJTSA-N 1 0 462.639 2.961 20 0 JFADRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C ZINC001294709451 1062277531 /nfs/dbraw/zinc/27/75/31/1062277531.db2.gz MARGQOWKIJOIMN-KRWDZBQOSA-N 1 0 463.030 2.688 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001294710103 1062278132 /nfs/dbraw/zinc/27/81/32/1062278132.db2.gz OAXHFYFGVKFDLO-QKNQBKEWSA-N 1 0 462.664 2.786 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC001294711000 1062279362 /nfs/dbraw/zinc/27/93/62/1062279362.db2.gz OWBCTMYQGLVUAJ-ZWKOTPCHSA-N 1 0 456.557 3.000 20 0 JFADRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001294710998 1062279474 /nfs/dbraw/zinc/27/94/74/1062279474.db2.gz OWBCTMYQGLVUAJ-QZTJIDSGSA-N 1 0 456.557 3.000 20 0 JFADRO CC(C)(Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C[NH+]1CCCC1 ZINC001287094061 1062293987 /nfs/dbraw/zinc/29/39/87/1062293987.db2.gz HGLVBIKCSCCASS-FQEVSTJZSA-N 1 0 463.623 2.753 20 0 JFADRO Cc1nccc(N2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOCC[NH+](C)C)CC2)n1 ZINC001290501560 1062294256 /nfs/dbraw/zinc/29/42/56/1062294256.db2.gz OSVIBYZTGSILST-UHFFFAOYSA-N 1 0 488.999 2.741 20 0 JFADRO CC(C)(Cn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001287094502 1062295705 /nfs/dbraw/zinc/29/57/05/1062295705.db2.gz MZBPOVDSCGNZHM-QGZVFWFLSA-N 1 0 456.557 2.857 20 0 JFADRO CC(C)(Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C[NH+]1CCCC1 ZINC001287095705 1062299070 /nfs/dbraw/zinc/29/90/70/1062299070.db2.gz ZJOFKCYRMKGHMC-GOSISDBHSA-N 1 0 493.578 2.891 20 0 JFADRO CC(C)(Cn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1)C[NH+]1CCCC1 ZINC001287095657 1062299107 /nfs/dbraw/zinc/29/91/07/1062299107.db2.gz YCKZILFMCANWIA-UHFFFAOYSA-N 1 0 460.648 2.539 20 0 JFADRO Nc1cn(Cc2ccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCC4)C3)cc2)nc1C(F)(F)F ZINC001294723970 1062303176 /nfs/dbraw/zinc/30/31/76/1062303176.db2.gz XYLNVAHNTNCQIZ-GOSISDBHSA-N 1 0 451.493 2.859 20 0 JFADRO CC(C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287098204 1062304854 /nfs/dbraw/zinc/30/48/54/1062304854.db2.gz FBMZSCLGVWUTJR-IBGZPJMESA-N 1 0 489.418 2.662 20 0 JFADRO CCCN1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(C)cc2)[NH+](C)C)CC1=O ZINC001294731478 1062311874 /nfs/dbraw/zinc/31/18/74/1062311874.db2.gz SEGLHXWQLDOUJL-JOCHJYFZSA-N 1 0 462.602 2.795 20 0 JFADRO CC(C)(O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001287102470 1062313907 /nfs/dbraw/zinc/31/39/07/1062313907.db2.gz KJGQXMJMPJDSMW-VQTJNVASSA-N 1 0 492.665 2.670 20 0 JFADRO CCCN1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)CC1=O ZINC001294733629 1062315250 /nfs/dbraw/zinc/31/52/50/1062315250.db2.gz GTCYJABKZMKYCJ-UHFFFAOYSA-N 1 0 499.679 2.730 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(-c3ccccc3Cl)n2CCOCC[NH+](C)C)CC1 ZINC001287110437 1062325086 /nfs/dbraw/zinc/32/50/86/1062325086.db2.gz USCHNTCMQVSXTP-UHFFFAOYSA-N 1 0 463.026 2.871 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001287112067 1062327883 /nfs/dbraw/zinc/32/78/83/1062327883.db2.gz FNLFQUGKTICLAI-UHFFFAOYSA-N 1 0 453.635 2.833 20 0 JFADRO CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCCCC2)CC1 ZINC001287112607 1062330725 /nfs/dbraw/zinc/33/07/25/1062330725.db2.gz RSZJLCBBOQGZCS-UHFFFAOYSA-N 1 0 453.635 2.835 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 ZINC001294743756 1062333000 /nfs/dbraw/zinc/33/30/00/1062333000.db2.gz HEOANYKWCDTRGS-QFIPXVFZSA-N 1 0 487.693 2.956 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001287113756 1062333786 /nfs/dbraw/zinc/33/37/86/1062333786.db2.gz OBVGQMUWGAWWSJ-HXUWFJFHSA-N 1 0 464.618 2.504 20 0 JFADRO CCCN1CCCN(c2nnc(COc3ccccc3OC)n2CC[NH+]2CCCCC2)CC1=O ZINC001294743915 1062333841 /nfs/dbraw/zinc/33/38/41/1062333841.db2.gz ZOBJFMARWMKQPF-UHFFFAOYSA-N 1 0 470.618 2.800 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001287114097 1062335629 /nfs/dbraw/zinc/33/56/29/1062335629.db2.gz QIXJLLHWEUFEOH-SFHVURJKSA-N 1 0 478.439 2.681 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001294744311 1062336052 /nfs/dbraw/zinc/33/60/52/1062336052.db2.gz QWAMQGJNTUHIKL-RTWAWAEBSA-N 1 0 487.693 2.767 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](CC)c2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001294745760 1062338400 /nfs/dbraw/zinc/33/84/00/1062338400.db2.gz WLBDONCTGQNUDQ-GOTSBHOMSA-N 1 0 468.646 2.989 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001294746022 1062339030 /nfs/dbraw/zinc/33/90/30/1062339030.db2.gz YMGRMCIIQJSTIS-HKUYNNGSSA-N 1 0 486.617 2.547 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001287114827 1062339060 /nfs/dbraw/zinc/33/90/60/1062339060.db2.gz RQRFKUOKQXKQIJ-OAQYLSRUSA-N 1 0 495.672 2.835 20 0 JFADRO CC(C)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001287114861 1062339463 /nfs/dbraw/zinc/33/94/63/1062339463.db2.gz TZFJKPOUWFDLQA-QHCPKHFHSA-N 1 0 461.614 2.871 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001294748192 1062339627 /nfs/dbraw/zinc/33/96/27/1062339627.db2.gz AVCAPAJSEZHYHA-NRFANRHFSA-N 1 0 490.674 2.688 20 0 JFADRO Cc1nccnc1N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001290538933 1062339699 /nfs/dbraw/zinc/33/96/99/1062339699.db2.gz XLUSNRAGXQTJIX-QGZVFWFLSA-N 1 0 471.009 2.886 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001294751795 1062340879 /nfs/dbraw/zinc/34/08/79/1062340879.db2.gz YKGDHDNGZZFLDC-DFBJGRDBSA-N 1 0 470.618 2.799 20 0 JFADRO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC001287115425 1062341798 /nfs/dbraw/zinc/34/17/98/1062341798.db2.gz IPSUNBVWECLYGH-GOTSBHOMSA-N 1 0 468.646 2.757 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001294754053 1062342731 /nfs/dbraw/zinc/34/27/31/1062342731.db2.gz VGIGNTRKPYVUCY-OALUTQOASA-N 1 0 489.665 2.987 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 ZINC001294754219 1062343228 /nfs/dbraw/zinc/34/32/28/1062343228.db2.gz CMHWUWLAYLROSN-FQEVSTJZSA-N 1 0 489.665 2.593 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C[C@H]1[C@H]1CCCO1 ZINC001294754189 1062343279 /nfs/dbraw/zinc/34/32/79/1062343279.db2.gz OHOWXXHTFZMWBN-JSXRDJHFSA-N 1 0 453.624 2.534 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294754291 1062343325 /nfs/dbraw/zinc/34/33/25/1062343325.db2.gz WXJCXEYKRPMVDT-KRWDZBQOSA-N 1 0 480.539 2.504 20 0 JFADRO CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)C[C@@H]1[C@@H]1CCCO1 ZINC001294754186 1062343370 /nfs/dbraw/zinc/34/33/70/1062343370.db2.gz OHOWXXHTFZMWBN-BQJUDKOJSA-N 1 0 453.624 2.534 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001290542677 1062343984 /nfs/dbraw/zinc/34/39/84/1062343984.db2.gz SYWUCLBWDJGQCY-BXKMTCNYSA-N 1 0 459.639 2.788 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001294755269 1062345374 /nfs/dbraw/zinc/34/53/74/1062345374.db2.gz OMLOTCFAPFIGCQ-MOPGFXCFSA-N 1 0 486.583 2.941 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001294756707 1062346801 /nfs/dbraw/zinc/34/68/01/1062346801.db2.gz FBAYUNNWSHHMLN-FQEVSTJZSA-N 1 0 458.632 2.636 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001294757166 1062347400 /nfs/dbraw/zinc/34/74/00/1062347400.db2.gz JSQOCZWTOHFLJL-FPOVZHCZSA-N 1 0 459.664 2.861 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001294757155 1062347452 /nfs/dbraw/zinc/34/74/52/1062347452.db2.gz JOQJVVVXDJAKJP-UXHICEINSA-N 1 0 489.665 2.721 20 0 JFADRO Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC001290547439 1062348141 /nfs/dbraw/zinc/34/81/41/1062348141.db2.gz MILKLINXUHRVLC-JTSKRJEESA-N 1 0 464.618 2.736 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001294758078 1062348513 /nfs/dbraw/zinc/34/85/13/1062348513.db2.gz SVCFFYUPTNMWBE-NRFANRHFSA-N 1 0 459.664 2.955 20 0 JFADRO Cc1cc(I)cc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC001290547984 1062349546 /nfs/dbraw/zinc/34/95/46/1062349546.db2.gz FORYFCYKEIWJNM-UHFFFAOYSA-N 1 0 450.324 2.676 20 0 JFADRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001294763121 1062351190 /nfs/dbraw/zinc/35/11/90/1062351190.db2.gz AUWVYJHFXKSWIH-MTQWCTHYSA-N 1 0 467.680 2.694 20 0 JFADRO CCCn1nc(-c2nnc(N(CC)CC)n2CCC[NH+]2CCC(O)CC2)c2ccccc2c1=O ZINC001294765003 1062355381 /nfs/dbraw/zinc/35/53/81/1062355381.db2.gz GOTKAKQWTCDZHB-UHFFFAOYSA-N 1 0 467.618 2.758 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287120466 1062363736 /nfs/dbraw/zinc/36/37/36/1062363736.db2.gz MCDSVPPOVZJFBH-LJQANCHMSA-N 1 0 456.639 2.684 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(CC3CCCC3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287121646 1062368400 /nfs/dbraw/zinc/36/84/00/1062368400.db2.gz AOVGAGVLCHAAAI-UHFFFAOYSA-N 1 0 460.667 2.864 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001287121806 1062369024 /nfs/dbraw/zinc/36/90/24/1062369024.db2.gz GNGXUGKPRFGYMT-NRFANRHFSA-N 1 0 487.693 2.796 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH+](CC)CC)CC2)c1 ZINC001294775564 1062374405 /nfs/dbraw/zinc/37/44/05/1062374405.db2.gz BKHCRWXBQPNRLD-QFIPXVFZSA-N 1 0 481.645 2.728 20 0 JFADRO CCCNC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001294775907 1062374574 /nfs/dbraw/zinc/37/45/74/1062374574.db2.gz DAWKGHGMRCNNTD-UHFFFAOYSA-N 1 0 462.602 2.890 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)[NH+](C)C)C1 ZINC001287122886 1062375140 /nfs/dbraw/zinc/37/51/40/1062375140.db2.gz HXCLEKUFIJCHQJ-QZTJIDSGSA-N 1 0 456.591 2.613 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H](C)[NH+]2CCCCC2)C1 ZINC001294780475 1062383654 /nfs/dbraw/zinc/38/36/54/1062383654.db2.gz LZNVIMVNLXRMFS-NHCUHLMSSA-N 1 0 496.660 2.933 20 0 JFADRO CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)Cc2ccccc2)C1 ZINC001287124798 1062383814 /nfs/dbraw/zinc/38/38/14/1062383814.db2.gz KFCQDXXHTQTEDZ-JOCHJYFZSA-N 1 0 476.629 2.856 20 0 JFADRO Cc1nc(C)n([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCC[N@@H+](CC(C)C)C3)C2)n1 ZINC001290578160 1062384269 /nfs/dbraw/zinc/38/42/69/1062384269.db2.gz NRPFFDZOYVMEPD-VXKWHMMOSA-N 1 0 485.681 2.834 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001287124857 1062384407 /nfs/dbraw/zinc/38/44/07/1062384407.db2.gz WDNUZLATQPEOEZ-HKUYNNGSSA-N 1 0 460.648 2.887 20 0 JFADRO CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001287124904 1062384820 /nfs/dbraw/zinc/38/48/20/1062384820.db2.gz XNQCTVMYLJRXSQ-HSZRJFAPSA-N 1 0 489.709 2.534 20 0 JFADRO Cc1nc(C)n([C@@H]2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[NH+](C(C)C)C(C)C)C2)n1 ZINC001290583447 1062391455 /nfs/dbraw/zinc/39/14/55/1062391455.db2.gz HREWZPWJHFNNEE-NHCUHLMSSA-N 1 0 471.654 2.788 20 0 JFADRO CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001287126941 1062394315 /nfs/dbraw/zinc/39/43/15/1062394315.db2.gz GDDCBQGZWDTTTG-IFMALSPDSA-N 1 0 487.693 2.872 20 0 JFADRO CC(C)C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001287127623 1062396292 /nfs/dbraw/zinc/39/62/92/1062396292.db2.gz KYEBSRBJPNNICU-QHCPKHFHSA-N 1 0 478.645 2.942 20 0 JFADRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC001294789767 1062398340 /nfs/dbraw/zinc/39/83/40/1062398340.db2.gz RZABMOYOCZNHDF-URXFXBBRSA-N 1 0 451.567 2.790 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001294789903 1062399219 /nfs/dbraw/zinc/39/92/19/1062399219.db2.gz GGFADYZMZJTXTA-IFMALSPDSA-N 1 0 454.619 2.656 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)C1 ZINC001294791629 1062409380 /nfs/dbraw/zinc/40/93/80/1062409380.db2.gz NNDVPWQDFRWXMA-UYAOXDASSA-N 1 0 451.575 2.979 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)C3CC[NH+](Cc4ccccc4)CC3)n2CCC(=O)N(C)C)n1 ZINC001290591810 1062410055 /nfs/dbraw/zinc/41/00/55/1062410055.db2.gz WCFFNXSJDGQFRB-UHFFFAOYSA-N 1 0 478.645 2.719 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(OC)cc3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001294791709 1062410103 /nfs/dbraw/zinc/41/01/03/1062410103.db2.gz PNKKNAJUARNNSM-OAQYLSRUSA-N 1 0 484.645 2.543 20 0 JFADRO CC(C)C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001287129697 1062411250 /nfs/dbraw/zinc/41/12/50/1062411250.db2.gz BASJFBDXUHMHCQ-NRFANRHFSA-N 1 0 474.675 2.641 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2C[C@@H](C)[N@H+](C)C2CC2)n1 ZINC001290597297 1062418031 /nfs/dbraw/zinc/41/80/31/1062418031.db2.gz CTBLWIZVDMUVRQ-LJQANCHMSA-N 1 0 485.658 2.662 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC001294794379 1062421459 /nfs/dbraw/zinc/42/14/59/1062421459.db2.gz HOJAHKLFBWWDIX-RBBKRZOGSA-N 1 0 476.629 2.998 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCc3cnccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290604991 1062437989 /nfs/dbraw/zinc/43/79/89/1062437989.db2.gz ADWZRYGZRGCYSB-NRFANRHFSA-N 1 0 451.623 2.729 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccco2)[NH+](C)C)C1 ZINC001294801469 1062444154 /nfs/dbraw/zinc/44/41/54/1062444154.db2.gz BTXCINTVICOPOI-RTWAWAEBSA-N 1 0 465.602 2.902 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287134149 1062448627 /nfs/dbraw/zinc/44/86/27/1062448627.db2.gz ZJEAYGGSZKDLRV-UHFFFAOYSA-N 1 0 481.645 2.756 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001287134438 1062451627 /nfs/dbraw/zinc/45/16/27/1062451627.db2.gz BGMKHWHGMFPRKU-UHFFFAOYSA-N 1 0 462.545 2.993 20 0 JFADRO CC(C)C(=O)NCCN(C)c1nnc(-c2ccccc2F)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287134750 1062453704 /nfs/dbraw/zinc/45/37/04/1062453704.db2.gz QDGMQVKAVHFSGE-NRFANRHFSA-N 1 0 460.598 2.649 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N(C)CCOC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001290612607 1062457919 /nfs/dbraw/zinc/45/79/19/1062457919.db2.gz PEMCLIPRNLZRAR-OYRHEFFESA-N 1 0 461.655 2.890 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001294806765 1062460718 /nfs/dbraw/zinc/46/07/18/1062460718.db2.gz YCLFCATXBVWBHP-OAQYLSRUSA-N 1 0 453.635 2.881 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001294810053 1062465934 /nfs/dbraw/zinc/46/59/34/1062465934.db2.gz AYJKPHOLWKSXOL-UHFFFAOYSA-N 1 0 487.693 2.911 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3C[C@H]4CCC[N@H+]4C[C@H]3C)n2CCN(C)C(=O)OC(C)(C)C)n1 ZINC001290617586 1062471550 /nfs/dbraw/zinc/47/15/50/1062471550.db2.gz KPKDHMHVGJSZBQ-WOJBJXKFSA-N 1 0 472.638 2.680 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001287136964 1062474675 /nfs/dbraw/zinc/47/46/75/1062474675.db2.gz OUQUODXIWASEAQ-NRFANRHFSA-N 1 0 498.031 2.621 20 0 JFADRO CC(C)C(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001287137116 1062475985 /nfs/dbraw/zinc/47/59/85/1062475985.db2.gz UDTKEMQKINIQBQ-QGZVFWFLSA-N 1 0 479.000 2.668 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001294811802 1062480202 /nfs/dbraw/zinc/48/02/02/1062480202.db2.gz PSYFMLJEHDGRCK-FQEVSTJZSA-N 1 0 496.660 2.788 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)n2CC(C)C)n1 ZINC001290620721 1062483176 /nfs/dbraw/zinc/48/31/76/1062483176.db2.gz PDGSRBBVKFAOQM-UHFFFAOYSA-N 1 0 470.666 2.614 20 0 JFADRO CC(C)C(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001287138580 1062485117 /nfs/dbraw/zinc/48/51/17/1062485117.db2.gz IPEIWEWHGNIHOM-FGZHOGPDSA-N 1 0 473.710 2.778 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(c4nc(C)no4)CC3)n2CCC[N@@H+](C)C(C)C)n1 ZINC001290624060 1062487980 /nfs/dbraw/zinc/48/79/80/1062487980.db2.gz HSXXVNVMZNEJMD-UHFFFAOYSA-N 1 0 455.611 2.945 20 0 JFADRO CCCNC(=O)[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001294814541 1062492323 /nfs/dbraw/zinc/49/23/23/1062492323.db2.gz YEFNYHQKHFVUCF-UGKGYDQZSA-N 1 0 470.666 2.614 20 0 JFADRO CCCNC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)C[NH+]2CCCC2)C1 ZINC001294814530 1062492401 /nfs/dbraw/zinc/49/24/01/1062492401.db2.gz YEFNYHQKHFVUCF-DENIHFKCSA-N 1 0 470.666 2.614 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2Cc2cnn(C)c2C)n1 ZINC001290625841 1062496459 /nfs/dbraw/zinc/49/64/59/1062496459.db2.gz PMQPJYLHLWAZBR-UHFFFAOYSA-N 1 0 453.639 2.787 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC(CC(=O)N(C)C)CC3)n2CC[N@H+](C)Cc2ccccc2)n1 ZINC001290626077 1062498285 /nfs/dbraw/zinc/49/82/85/1062498285.db2.gz UGYYWKKBWOWUIW-UHFFFAOYSA-N 1 0 492.672 2.966 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001294822107 1062505456 /nfs/dbraw/zinc/50/54/56/1062505456.db2.gz JQIFNNXPBSXNHC-QFIPXVFZSA-N 1 0 468.646 2.843 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001294822106 1062505518 /nfs/dbraw/zinc/50/55/18/1062505518.db2.gz JQIFNNXPBSXNHC-JOCHJYFZSA-N 1 0 468.646 2.843 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](OCC(C)C)C3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001290632128 1062509046 /nfs/dbraw/zinc/50/90/46/1062509046.db2.gz VZJUDSZAKHESCS-OFNKIYASSA-N 1 0 461.680 2.828 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001294822828 1062509302 /nfs/dbraw/zinc/50/93/02/1062509302.db2.gz RKKBBGAVJWUNPK-UHFFFAOYSA-N 1 0 469.634 2.504 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCCC2)CC1 ZINC001294823377 1062511397 /nfs/dbraw/zinc/51/13/97/1062511397.db2.gz YYYSUVXIEZTBEV-UHFFFAOYSA-N 1 0 470.618 2.801 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001287146507 1062512551 /nfs/dbraw/zinc/51/25/51/1062512551.db2.gz ATHNJAZEGISYPO-OAQYLSRUSA-N 1 0 470.540 2.838 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294827764 1062513929 /nfs/dbraw/zinc/51/39/29/1062513929.db2.gz GSBMRRRDOZYXJS-RZUBCFFCSA-N 1 0 487.693 2.730 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)[NH+]2CCCC2)CC1 ZINC001294829713 1062517054 /nfs/dbraw/zinc/51/70/54/1062517054.db2.gz XRFDQCVTFFCYGL-QFIPXVFZSA-N 1 0 453.635 2.881 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC001294829711 1062517330 /nfs/dbraw/zinc/51/73/30/1062517330.db2.gz XRFDQCVTFFCYGL-JOCHJYFZSA-N 1 0 453.635 2.881 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2cccs2)[NH+](C)C)n1 ZINC001290636172 1062518157 /nfs/dbraw/zinc/51/81/57/1062518157.db2.gz UKZWWWPYKOSVTH-RTBURBONSA-N 1 0 470.647 2.596 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC001294833340 1062522292 /nfs/dbraw/zinc/52/22/92/1062522292.db2.gz YYXJNKWNVBDSIJ-QHCPKHFHSA-N 1 0 495.672 2.754 20 0 JFADRO CC(C)[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001287151124 1062522352 /nfs/dbraw/zinc/52/23/52/1062522352.db2.gz RFZLUWQODARQQT-UZINWLIJSA-N 1 0 470.662 2.997 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001287151365 1062523036 /nfs/dbraw/zinc/52/30/36/1062523036.db2.gz ABSCFXTWXWZOPD-ILWGZMRPSA-N 1 0 487.693 2.727 20 0 JFADRO CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCSCC2)CC1 ZINC001287151744 1062523461 /nfs/dbraw/zinc/52/34/61/1062523461.db2.gz DLNXWZRXCVGGLI-IBGZPJMESA-N 1 0 473.691 2.710 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)c4ccco4)CC3)n2CC[NH+](C(C)C)C(C)C)n1 ZINC001290639349 1062523600 /nfs/dbraw/zinc/52/36/00/1062523600.db2.gz BIFGSTDFCHCUKE-UHFFFAOYSA-N 1 0 482.633 2.814 20 0 JFADRO CCCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001294834410 1062524587 /nfs/dbraw/zinc/52/45/87/1062524587.db2.gz QVAISQNQKPZMFJ-PMVMPFDFSA-N 1 0 490.693 2.865 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3c3csc(C)n3)n2CCOCC[NH+](C)C)n1 ZINC001290640263 1062526325 /nfs/dbraw/zinc/52/63/25/1062526325.db2.gz PAWGFRIWOIWLRI-HXUWFJFHSA-N 1 0 458.636 2.824 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(C3CC3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001287152753 1062527430 /nfs/dbraw/zinc/52/74/30/1062527430.db2.gz JOPQFYYFYKPARW-HXUWFJFHSA-N 1 0 473.710 2.806 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](C(C)(C)C)CC3)n2CCCCCS(C)(=O)=O)n1 ZINC001290640832 1062527886 /nfs/dbraw/zinc/52/78/86/1062527886.db2.gz RZVUXZQXURLZDW-UHFFFAOYSA-N 1 0 479.695 2.665 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCCO[C@@H](C)C3)n2CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC001290641182 1062529197 /nfs/dbraw/zinc/52/91/97/1062529197.db2.gz WLZWVUOIZVJWFV-QFIPXVFZSA-N 1 0 481.645 2.938 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001287153086 1062529705 /nfs/dbraw/zinc/52/97/05/1062529705.db2.gz MBSWJROGYCZVAU-CJAUYULYSA-N 1 0 472.609 2.528 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCCOC(F)(F)F)n1 ZINC001290641589 1062530447 /nfs/dbraw/zinc/53/04/47/1062530447.db2.gz YAJJVJPLJPPXEQ-UHFFFAOYSA-N 1 0 495.554 2.512 20 0 JFADRO CC(C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001287153245 1062530729 /nfs/dbraw/zinc/53/07/29/1062530729.db2.gz MCAWMZSMPDWDRS-YADARESESA-N 1 0 461.582 2.562 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(C(=O)Cc4ccccc4)CC3)n2CC(C)(C)C[NH+](C)C)n1 ZINC001290641864 1062531488 /nfs/dbraw/zinc/53/14/88/1062531488.db2.gz RVVVHFFXKNEWAV-UHFFFAOYSA-N 1 0 492.672 2.619 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCC[NH+]2CCCCC2)n1 ZINC001290645047 1062533765 /nfs/dbraw/zinc/53/37/65/1062533765.db2.gz DBZCHPHENPOOHO-QFIPXVFZSA-N 1 0 470.666 2.709 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)C1)[NH+]1CCCC1 ZINC001287155607 1062539562 /nfs/dbraw/zinc/53/95/62/1062539562.db2.gz DCMPANWKGCZXPU-LJQANCHMSA-N 1 0 462.545 2.945 20 0 JFADRO CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001287156349 1062543099 /nfs/dbraw/zinc/54/30/99/1062543099.db2.gz INVNZXLJVZWUNL-UGKGYDQZSA-N 1 0 475.659 2.942 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[N@H+](Cc4ccccc4)C[C@H]3C)n2CCNC(=O)C(C)C)n1 ZINC001290647744 1062543075 /nfs/dbraw/zinc/54/30/75/1062543075.db2.gz PBXOOTNCQRKNOK-JOCHJYFZSA-N 1 0 478.645 2.623 20 0 JFADRO CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001287156853 1062545274 /nfs/dbraw/zinc/54/52/74/1062545274.db2.gz QNXMEHHSURVNJU-ZWKOTPCHSA-N 1 0 489.690 2.597 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[NH+](CC4CCCCC4)CC3)n2CCC(=O)NC(C)C)n1 ZINC001290648716 1062545670 /nfs/dbraw/zinc/54/56/70/1062545670.db2.gz UXTJCEHDBRQDPQ-UHFFFAOYSA-N 1 0 470.666 2.757 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001287156924 1062545785 /nfs/dbraw/zinc/54/57/85/1062545785.db2.gz RVEYFBMEJANXBH-PZJWPPBQSA-N 1 0 460.648 2.864 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](COC(C)C)C3)n2CC[N@H+](C)C2CCCC2)n1 ZINC001290649514 1062547224 /nfs/dbraw/zinc/54/72/24/1062547224.db2.gz RIRLYFWAUMVIHL-JOCHJYFZSA-N 1 0 459.639 2.644 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001290651312 1062549611 /nfs/dbraw/zinc/54/96/11/1062549611.db2.gz ARJJUKYHJPPFNK-AAIMPIBUSA-N 1 0 451.619 2.867 20 0 JFADRO Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC001290651313 1062549792 /nfs/dbraw/zinc/54/97/92/1062549792.db2.gz ARJJUKYHJPPFNK-JZWVFAODSA-N 1 0 451.619 2.867 20 0 JFADRO CC(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001287160294 1062558468 /nfs/dbraw/zinc/55/84/68/1062558468.db2.gz HZTLMOORTTUKMP-PMACEKPBSA-N 1 0 493.578 2.889 20 0 JFADRO CC(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[NH+]1CCCC1 ZINC001287160297 1062558824 /nfs/dbraw/zinc/55/88/24/1062558824.db2.gz HZTLMOORTTUKMP-WOJBJXKFSA-N 1 0 493.578 2.889 20 0 JFADRO CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)[NH+]1CCCC1 ZINC001287160496 1062560015 /nfs/dbraw/zinc/56/00/15/1062560015.db2.gz FVILNOMFOXCCOQ-BDTJJHOVSA-N 1 0 472.659 2.723 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](C)C)CCO2)n1 ZINC001290659683 1062563954 /nfs/dbraw/zinc/56/39/54/1062563954.db2.gz HPASAWJIRYIIGA-CTNGQTDRSA-N 1 0 455.582 2.677 20 0 JFADRO CC(C)[C@H](Cn1c(COc2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C)[NH+]1CCCC1 ZINC001287162279 1062565247 /nfs/dbraw/zinc/56/52/47/1062565247.db2.gz HEGYDVYLZDXDFM-QUCCMNQESA-N 1 0 458.582 2.784 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(Cc4cccnc4)n3CCC[N@@H+](C)C(C)C)CCO2)n1 ZINC001290660333 1062566546 /nfs/dbraw/zinc/56/65/46/1062566546.db2.gz MAPUBSLJESAQBF-QHCPKHFHSA-N 1 0 466.634 2.713 20 0 JFADRO CC(C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCCC1 ZINC001287163146 1062567068 /nfs/dbraw/zinc/56/70/68/1062567068.db2.gz NPCSLXNAFBKCTL-GHTZIAJQSA-N 1 0 458.582 2.818 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CCc4ccccc4)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001290661099 1062568829 /nfs/dbraw/zinc/56/88/29/1062568829.db2.gz SZBQQYANBBGYMZ-GMAHTHKFSA-N 1 0 451.619 2.732 20 0 JFADRO Cc1cc(C)n(C[C@@H]2CN(c3nnc(CCc4ccccc4)n3C[C@@H](C)[NH+](C)C)CCO2)n1 ZINC001290661097 1062568851 /nfs/dbraw/zinc/56/88/51/1062568851.db2.gz SZBQQYANBBGYMZ-GGAORHGYSA-N 1 0 451.619 2.732 20 0 JFADRO Cc1cc(C)n(C[C@H]2CN(c3nnc(CCc4ccccc4)n3C[C@H](C)[NH+](C)C)CCO2)n1 ZINC001290661101 1062569502 /nfs/dbraw/zinc/56/95/02/1062569502.db2.gz SZBQQYANBBGYMZ-JTHBVZDNSA-N 1 0 451.619 2.732 20 0 JFADRO Cc1cc(C)n(CCCn2c(CC(C)C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1 ZINC001290667844 1062578808 /nfs/dbraw/zinc/57/88/08/1062578808.db2.gz RXUCJCDRUOTTLP-DEOSSOPVSA-N 1 0 486.709 2.611 20 0 JFADRO Cc1nc2cncc(N3CCN(c4nnc(C(C)(C)C)n4CC[NH+](C(C)C)C(C)C)CC3)n2n1 ZINC001290670927 1062579944 /nfs/dbraw/zinc/57/99/44/1062579944.db2.gz CCECEYCRTABUEJ-UHFFFAOYSA-N 1 0 468.654 2.767 20 0 JFADRO Cc1nnc([C@@H]2CN(c3nnc([C@@H]4CCCOC4)n3CCC[NH+](C(C)C)C(C)C)CCO2)o1 ZINC001290673540 1062583428 /nfs/dbraw/zinc/58/34/28/1062583428.db2.gz KZFLKLOUFRBGCJ-UXHICEINSA-N 1 0 461.611 2.950 20 0 JFADRO CCCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001294876550 1062588056 /nfs/dbraw/zinc/58/80/56/1062588056.db2.gz PWGNJLDXEOKIEF-HSZRJFAPSA-N 1 0 478.645 2.792 20 0 JFADRO CC(C)c1ncc(CN(C)c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(C)(C)O)cn1 ZINC001287172251 1062591342 /nfs/dbraw/zinc/59/13/42/1062591342.db2.gz FXOAKYFHWMYJSE-UHFFFAOYSA-N 1 0 492.672 2.964 20 0 JFADRO CC(C)c1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CCC[NH+]1CCC(O)CC1 ZINC001287177971 1062602224 /nfs/dbraw/zinc/60/22/24/1062602224.db2.gz ZNCRZEFSOXCQQA-UHFFFAOYSA-N 1 0 454.619 2.777 20 0 JFADRO CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1CC1CCN(c2cc[nH+]cc2)CC1 ZINC001287179825 1062605514 /nfs/dbraw/zinc/60/55/14/1062605514.db2.gz UBDDGIMPUBFIMR-UHFFFAOYSA-N 1 0 475.663 2.573 20 0 JFADRO CC(C)c1nnc(N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001287179811 1062605549 /nfs/dbraw/zinc/60/55/49/1062605549.db2.gz TZRVPWFXQGNUQG-IFMALSPDSA-N 1 0 489.686 2.831 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC001294887508 1062606716 /nfs/dbraw/zinc/60/67/16/1062606716.db2.gz KGTUQVARWXOQKK-QGZVFWFLSA-N 1 0 466.989 2.811 20 0 JFADRO CC(C)c1nnc(N(C)Cc2ccccc2N2CCOCC2)n1CCC[NH+]1CCC(O)CC1 ZINC001287181172 1062606858 /nfs/dbraw/zinc/60/68/58/1062606858.db2.gz JVTHADJHHKTUHV-UHFFFAOYSA-N 1 0 456.635 2.721 20 0 JFADRO CCCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001294888582 1062610726 /nfs/dbraw/zinc/61/07/26/1062610726.db2.gz OCWWABRZTKLSTH-IBGZPJMESA-N 1 0 470.618 2.801 20 0 JFADRO Cc1nnc(CCn2c(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)nnc2C(C)(C)C)s1 ZINC001290691855 1062612568 /nfs/dbraw/zinc/61/25/68/1062612568.db2.gz JUXDJQFENVWDLK-UHFFFAOYSA-N 1 0 488.706 2.797 20 0 JFADRO CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1Cc1cccc(C(N)=O)c1 ZINC001287186269 1062612591 /nfs/dbraw/zinc/61/25/91/1062612591.db2.gz WIKXXCCZSASAKF-RBBKRZOGSA-N 1 0 464.618 2.802 20 0 JFADRO CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001287191200 1062616701 /nfs/dbraw/zinc/61/67/01/1062616701.db2.gz AERDDNBXPOBUIG-OPAMFIHVSA-N 1 0 459.620 2.580 20 0 JFADRO CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001287191710 1062618142 /nfs/dbraw/zinc/61/81/42/1062618142.db2.gz KZCKPINBFNTGKW-JOCHJYFZSA-N 1 0 472.609 2.919 20 0 JFADRO CC(C)c1nnc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1CCCn1cc(CO)nn1 ZINC001287192976 1062620239 /nfs/dbraw/zinc/62/02/39/1062620239.db2.gz MLWHBZVCSPDSOB-FQEVSTJZSA-N 1 0 452.607 2.676 20 0 JFADRO CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001294895862 1062625637 /nfs/dbraw/zinc/62/56/37/1062625637.db2.gz WXHGNGBKQJEXPL-UHFFFAOYSA-N 1 0 464.618 2.553 20 0 JFADRO CC(C)c1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCCNC(=O)c1cccc(O)c1 ZINC001287200575 1062639229 /nfs/dbraw/zinc/63/92/29/1062639229.db2.gz GAXPVLODIOYFRO-QFIPXVFZSA-N 1 0 483.661 2.532 20 0 JFADRO CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001287201311 1062641370 /nfs/dbraw/zinc/64/13/70/1062641370.db2.gz DMTVFOCZOWUFRL-HSZRJFAPSA-N 1 0 462.683 2.840 20 0 JFADRO CC(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001287201772 1062643817 /nfs/dbraw/zinc/64/38/17/1062643817.db2.gz OLIDHYCGCIIUIW-UHFFFAOYSA-N 1 0 460.648 2.564 20 0 JFADRO CC(C)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287203852 1062647872 /nfs/dbraw/zinc/64/78/72/1062647872.db2.gz ZXTAAAUUJQHESH-QFIPXVFZSA-N 1 0 468.646 2.832 20 0 JFADRO CC(C)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCNS(=O)(=O)c1ccccc1 ZINC001287207497 1062652808 /nfs/dbraw/zinc/65/28/08/1062652808.db2.gz NORMALGELVLXSW-UHFFFAOYSA-N 1 0 460.648 2.835 20 0 JFADRO CCCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001294910025 1062653955 /nfs/dbraw/zinc/65/39/55/1062653955.db2.gz GOZQQTAAOUZTFL-UHFFFAOYSA-N 1 0 459.664 2.861 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001287213837 1062672847 /nfs/dbraw/zinc/67/28/47/1062672847.db2.gz FOQXDQUVAHGUPR-FQEVSTJZSA-N 1 0 460.648 2.662 20 0 JFADRO CC(C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001287214315 1062678316 /nfs/dbraw/zinc/67/83/16/1062678316.db2.gz QIWISAOFFRPSTE-UHFFFAOYSA-N 1 0 477.539 2.899 20 0 JFADRO CC(C)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1CCn1cc(Br)cn1 ZINC001287214594 1062680671 /nfs/dbraw/zinc/68/06/71/1062680671.db2.gz VCOSTCYMTFCLKZ-QGZVFWFLSA-N 1 0 466.428 2.609 20 0 JFADRO CC(C)c1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001287215346 1062684068 /nfs/dbraw/zinc/68/40/68/1062684068.db2.gz ADDVGNVZKTXRNI-JOCHJYFZSA-N 1 0 453.635 2.626 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001287215393 1062685141 /nfs/dbraw/zinc/68/51/41/1062685141.db2.gz BHZXZTKUQXRFGE-LJQANCHMSA-N 1 0 463.671 2.873 20 0 JFADRO CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001290770422 1062687484 /nfs/dbraw/zinc/68/74/84/1062687484.db2.gz BGWZPMYDKJFAIO-UHFFFAOYSA-N 1 0 458.628 2.615 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287215855 1062688212 /nfs/dbraw/zinc/68/82/12/1062688212.db2.gz KIEKPXFCLWPXNY-UHFFFAOYSA-N 1 0 470.618 2.973 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CCn2cncn2)cc1OC ZINC001294922620 1062689833 /nfs/dbraw/zinc/68/98/33/1062689833.db2.gz CVFASOBUKZZCTO-RTBURBONSA-N 1 0 468.606 2.953 20 0 JFADRO CC(C)c1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287216549 1062692785 /nfs/dbraw/zinc/69/27/85/1062692785.db2.gz SQPNSWIJFSUVPP-UHFFFAOYSA-N 1 0 450.628 2.694 20 0 JFADRO Cc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001290782705 1062692915 /nfs/dbraw/zinc/69/29/15/1062692915.db2.gz CSHHGZSUBGACRF-UHFFFAOYSA-N 1 0 468.646 2.860 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2CCC(=O)N(C)C)cc1OC ZINC001294924566 1062693597 /nfs/dbraw/zinc/69/35/97/1062693597.db2.gz ISDRCHQXSZMTDZ-AZUAARDMSA-N 1 0 470.618 2.894 20 0 JFADRO CCCOc1ccc(-c2nnc(N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2CCCNC(C)=O)cc1OC ZINC001294928120 1062701840 /nfs/dbraw/zinc/70/18/40/1062701840.db2.gz XDHQUBPRDHFTKN-NQIIRXRSSA-N 1 0 470.618 2.942 20 0 JFADRO CCOC(=O)c1cnn(-c2cccc(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)c2)c1C(F)(F)F ZINC001290797392 1062702377 /nfs/dbraw/zinc/70/23/77/1062702377.db2.gz GSGLSWRAPJVKRI-HXUWFJFHSA-N 1 0 454.449 2.853 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001294928614 1062703925 /nfs/dbraw/zinc/70/39/25/1062703925.db2.gz MGQZNTVTNUCLRY-DEOSSOPVSA-N 1 0 470.618 2.929 20 0 JFADRO Cc1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(C[NH+]2CCOCC2)CCCCC1 ZINC001290800639 1062705429 /nfs/dbraw/zinc/70/54/29/1062705429.db2.gz NMGUKDSPXOFSBD-HXUWFJFHSA-N 1 0 462.639 2.973 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001287222427 1062708032 /nfs/dbraw/zinc/70/80/32/1062708032.db2.gz FAMVAIVTZZMQLX-NRFANRHFSA-N 1 0 454.619 2.505 20 0 JFADRO Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001290808997 1062710648 /nfs/dbraw/zinc/71/06/48/1062710648.db2.gz LQHQKCYAKFSJML-GOSISDBHSA-N 1 0 455.607 2.640 20 0 JFADRO CC(C)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1Cc1cccnc1OCC(F)F ZINC001287223924 1062710689 /nfs/dbraw/zinc/71/06/89/1062710689.db2.gz PUMHOKSRMNLWNR-KRWDZBQOSA-N 1 0 450.534 2.647 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[C@H](N4CC[NH+](CC)CC4)C3)n2CC(C)(C)O)cc1OC ZINC001294934276 1062711542 /nfs/dbraw/zinc/71/15/42/1062711542.db2.gz STMFGWNKAAOZAN-NRFANRHFSA-N 1 0 486.661 2.730 20 0 JFADRO CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cc(F)ccc1F ZINC001287224055 1062711539 /nfs/dbraw/zinc/71/15/39/1062711539.db2.gz RNQFYRNMTOSAOE-OAQYLSRUSA-N 1 0 462.589 2.959 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC1([S@](C)=O)CCC1 ZINC001287224602 1062712492 /nfs/dbraw/zinc/71/24/92/1062712492.db2.gz UPZIKZUNSIKSDX-XIFFEERXSA-N 1 0 472.703 2.957 20 0 JFADRO CC(C)c1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ncnn1C(C)(C)C ZINC001287225332 1062713811 /nfs/dbraw/zinc/71/38/11/1062713811.db2.gz YVPSBJPFEFZJKK-BGYRXZFFSA-N 1 0 457.671 2.791 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCC(F)(F)C3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001294935661 1062714030 /nfs/dbraw/zinc/71/40/30/1062714030.db2.gz XBDORYDNUVJAFQ-OAQYLSRUSA-N 1 0 451.518 2.655 20 0 JFADRO Cc1nnc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001290820288 1062715898 /nfs/dbraw/zinc/71/58/98/1062715898.db2.gz UMVVHJYDPDWQDB-SFHVURJKSA-N 1 0 476.025 2.725 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C(=O)NC)CC3)n2CC[NH+]2CCCCC2)cc1OC ZINC001294938850 1062717638 /nfs/dbraw/zinc/71/76/38/1062717638.db2.gz KCICPBJWJIZXFN-UHFFFAOYSA-N 1 0 485.633 2.690 20 0 JFADRO CC(C)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001287231155 1062719552 /nfs/dbraw/zinc/71/95/52/1062719552.db2.gz DIVKLVNGRJPWDH-NJDAHSKKSA-N 1 0 496.722 2.604 20 0 JFADRO CC(C)c1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001287231576 1062720936 /nfs/dbraw/zinc/72/09/36/1062720936.db2.gz MGRFEEWKIKEAMK-LEWJYISDSA-N 1 0 476.666 2.988 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001294939730 1062721684 /nfs/dbraw/zinc/72/16/84/1062721684.db2.gz YXKDLTVBMXAWDQ-AZUAARDMSA-N 1 0 470.618 2.894 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCN4C(=O)OC[C@]4(C)C3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001294941288 1062728548 /nfs/dbraw/zinc/72/85/48/1062728548.db2.gz YTVMJEMAGMYBCA-OSPHWJPCSA-N 1 0 472.590 2.724 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CC[NH+](C4CCC4)CC3)n2CC(=O)NC(C)C)cc1OC ZINC001294941389 1062728753 /nfs/dbraw/zinc/72/87/53/1062728753.db2.gz ZRMOFIHZQKFMRP-UHFFFAOYSA-N 1 0 470.618 2.942 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OC)c(OCc3cccnc3)c2)CC1=O ZINC001290841657 1062730660 /nfs/dbraw/zinc/73/06/60/1062730660.db2.gz QSTMOIKOKMZXQY-TZIWHRDSSA-N 1 0 452.555 2.941 20 0 JFADRO O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCn2ncnc21 ZINC001290846217 1062732324 /nfs/dbraw/zinc/73/23/24/1062732324.db2.gz CFEQJUFHZWQCIS-IBGZPJMESA-N 1 0 450.509 2.893 20 0 JFADRO CCCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC001294947826 1062732559 /nfs/dbraw/zinc/73/25/59/1062732559.db2.gz VCPWLFLJJUXMLX-HXUWFJFHSA-N 1 0 491.658 2.852 20 0 JFADRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)cc2)C[C@H](C)O1 ZINC001290846540 1062732841 /nfs/dbraw/zinc/73/28/41/1062732841.db2.gz FELYUEQAVKYXLE-FHTPNYMGSA-N 1 0 455.580 2.616 20 0 JFADRO Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001290847035 1062733080 /nfs/dbraw/zinc/73/30/80/1062733080.db2.gz PJNMYWCIZHCMHF-UHFFFAOYSA-N 1 0 460.648 2.754 20 0 JFADRO Cc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001290851674 1062735438 /nfs/dbraw/zinc/73/54/38/1062735438.db2.gz DGMVLJUNHQAZOS-RTBURBONSA-N 1 0 472.609 2.505 20 0 JFADRO CCCOc1ccc(Cn2c(C)nnc2N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1OC ZINC001294949093 1062735515 /nfs/dbraw/zinc/73/55/15/1062735515.db2.gz JZJWFJTWPVVCAE-QHCPKHFHSA-N 1 0 486.661 2.663 20 0 JFADRO CCCOc1ccc(Cn2c(C)nnc2N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1OC ZINC001294949092 1062735681 /nfs/dbraw/zinc/73/56/81/1062735681.db2.gz JZJWFJTWPVVCAE-HSZRJFAPSA-N 1 0 486.661 2.663 20 0 JFADRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCO1 ZINC001287261031 1062737949 /nfs/dbraw/zinc/73/79/49/1062737949.db2.gz IGMMOCMFDJKQKH-KRWDZBQOSA-N 1 0 458.024 2.697 20 0 JFADRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CCO1 ZINC001287261032 1062737995 /nfs/dbraw/zinc/73/79/95/1062737995.db2.gz IGMMOCMFDJKQKH-QGZVFWFLSA-N 1 0 458.024 2.697 20 0 JFADRO Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001290857417 1062741026 /nfs/dbraw/zinc/74/10/26/1062741026.db2.gz MRTCFHODUUTAGV-FHAGJXEFSA-N 1 0 459.683 2.666 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC001287273861 1062747428 /nfs/dbraw/zinc/74/74/28/1062747428.db2.gz GJJCBYAQJFUNKN-RBUKOAKNSA-N 1 0 455.607 2.907 20 0 JFADRO Cc1nnc(N2CCN(c3ccc(F)cn3)CC2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001290863456 1062747747 /nfs/dbraw/zinc/74/77/47/1062747747.db2.gz GSKMHUCEVKMSBJ-UHFFFAOYSA-N 1 0 453.566 2.826 20 0 JFADRO Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001290865187 1062748326 /nfs/dbraw/zinc/74/83/26/1062748326.db2.gz MJWOVCMTABOSSB-GOSISDBHSA-N 1 0 462.602 2.536 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001290867648 1062750209 /nfs/dbraw/zinc/75/02/09/1062750209.db2.gz QGRCQTVMIKAUIN-RJGXRXQPSA-N 1 0 473.710 2.725 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001290869463 1062753188 /nfs/dbraw/zinc/75/31/88/1062753188.db2.gz ILNXZWGCERYTGB-UHFFFAOYSA-N 1 0 473.710 2.869 20 0 JFADRO Cc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290870016 1062755085 /nfs/dbraw/zinc/75/50/85/1062755085.db2.gz OSSOFRPEIZKCBO-XPWALMASSA-N 1 0 473.710 2.868 20 0 JFADRO Cc1nnc(N2CCN(Cc3csc(C(C)(C)C)n3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001290874700 1062759064 /nfs/dbraw/zinc/75/90/64/1062759064.db2.gz WMWCSSICTZOWKJ-UHFFFAOYSA-N 1 0 461.680 2.774 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)CCO1 ZINC001287287452 1062761894 /nfs/dbraw/zinc/76/18/94/1062761894.db2.gz MUPMGKRUKRRLPG-NJYVYQBISA-N 1 0 492.665 2.932 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001287287931 1062762355 /nfs/dbraw/zinc/76/23/55/1062762355.db2.gz OZBJOUVKGXMPKH-PMACEKPBSA-N 1 0 451.681 2.985 20 0 JFADRO CC(C)[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)CCS1 ZINC001287287934 1062762865 /nfs/dbraw/zinc/76/28/65/1062762865.db2.gz OZBJOUVKGXMPKH-WOJBJXKFSA-N 1 0 451.681 2.985 20 0 JFADRO CC(C)[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCS1 ZINC001287292576 1062766232 /nfs/dbraw/zinc/76/62/32/1062766232.db2.gz PTMUJGPUWPJGHE-OAQYLSRUSA-N 1 0 457.692 2.868 20 0 JFADRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C1 ZINC001290890260 1062768250 /nfs/dbraw/zinc/76/82/50/1062768250.db2.gz BNCVYMVHRHYDAD-HXOBKFHXSA-N 1 0 451.546 2.794 20 0 JFADRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC001294988713 1062776829 /nfs/dbraw/zinc/77/68/29/1062776829.db2.gz ANZDVBOAJIPRNF-UYAOXDASSA-N 1 0 455.521 2.966 20 0 JFADRO CC(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001287306036 1062777014 /nfs/dbraw/zinc/77/70/14/1062777014.db2.gz IPSFEHUBDRDBEE-SJBKTWHCSA-N 1 0 460.667 2.671 20 0 JFADRO Cc1noc([C@H](C)N2CCN(c3nnc([C@H]4CCCOC4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001290902756 1062777114 /nfs/dbraw/zinc/77/71/14/1062777114.db2.gz OFXVQSRRBTXJEJ-FPOVZHCZSA-N 1 0 474.654 2.866 20 0 JFADRO CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295002457 1062789451 /nfs/dbraw/zinc/78/94/51/1062789451.db2.gz OHMYMCKBJUMRAW-RTBURBONSA-N 1 0 455.669 2.554 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCCC2)CC1 ZINC001295002691 1062789974 /nfs/dbraw/zinc/78/99/74/1062789974.db2.gz QYQKGBLTTHQXBP-SFTDATJTSA-N 1 0 467.680 2.842 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCc2c1cnn2C)[NH+](C)C ZINC001287318946 1062790289 /nfs/dbraw/zinc/79/02/89/1062790289.db2.gz GCEBKWYPBTYFOE-QUCCMNQESA-N 1 0 456.639 2.738 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1)[NH+](C)C ZINC001287319073 1062790797 /nfs/dbraw/zinc/79/07/97/1062790797.db2.gz HETNMGULUAWZSO-KSYXXAMZSA-N 1 0 485.633 2.674 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OCCC[C@@H]2C1)[NH+](C)C ZINC001287319063 1062790813 /nfs/dbraw/zinc/79/08/13/1062790813.db2.gz HAFSSBZDUXHXHL-VAMGGRTRSA-N 1 0 455.607 2.907 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1)[NH+](C)C ZINC001287319076 1062791320 /nfs/dbraw/zinc/79/13/20/1062791320.db2.gz HETNMGULUAWZSO-OZAHESQGSA-N 1 0 485.633 2.674 20 0 JFADRO CCCO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001295005815 1062792598 /nfs/dbraw/zinc/79/25/98/1062792598.db2.gz IBGPCXBHKQLNLY-FCHUYYIVSA-N 1 0 476.666 2.543 20 0 JFADRO CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COc2ccccc2)C1)[NH+](C)C ZINC001287320899 1062795719 /nfs/dbraw/zinc/79/57/19/1062795719.db2.gz YMFYOASTQFPPTJ-FYYLOGMGSA-N 1 0 484.645 2.775 20 0 JFADRO CC(C)C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1)[NH+](C)C ZINC001287321032 1062796914 /nfs/dbraw/zinc/79/69/14/1062796914.db2.gz ZQZMQRKTDUYYCQ-FQEVSTJZSA-N 1 0 484.649 2.643 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC001287321287 1062797312 /nfs/dbraw/zinc/79/73/12/1062797312.db2.gz DQWOSBWUCXXWOM-LJQANCHMSA-N 1 0 474.631 2.749 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1)[NH+](C)C ZINC001287321408 1062797822 /nfs/dbraw/zinc/79/78/22/1062797822.db2.gz GQXILDDEDHNNBC-DUXKGJEZSA-N 1 0 496.653 2.582 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O)[NH+](C)C ZINC001287321457 1062798577 /nfs/dbraw/zinc/79/85/77/1062798577.db2.gz HMTHJPYJXPIIJD-XXJJDXCVSA-N 1 0 489.686 2.922 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001287321693 1062799339 /nfs/dbraw/zinc/79/93/39/1062799339.db2.gz LGAVDKONZXTUFQ-PMACEKPBSA-N 1 0 485.658 2.935 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+](C)C ZINC001287322128 1062799725 /nfs/dbraw/zinc/79/97/25/1062799725.db2.gz NKMOFKNSEXCWGX-MGPUTAFESA-N 1 0 466.428 2.714 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@H](C)CC)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001295013190 1062801382 /nfs/dbraw/zinc/80/13/82/1062801382.db2.gz AHBPPSOHXQAPHE-GOSISDBHSA-N 1 0 486.752 2.917 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001295014400 1062803369 /nfs/dbraw/zinc/80/33/69/1062803369.db2.gz CDTZGIILSXWMER-SFHVURJKSA-N 1 0 466.677 2.818 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295014617 1062804351 /nfs/dbraw/zinc/80/43/51/1062804351.db2.gz DSWHZLMJPBEWSU-URVUXULASA-N 1 0 496.722 2.938 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1)[NH+](C)C ZINC001287329151 1062805440 /nfs/dbraw/zinc/80/54/40/1062805440.db2.gz BMBRQGOPZSLYNN-WOJBJXKFSA-N 1 0 460.602 2.752 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001287329434 1062805836 /nfs/dbraw/zinc/80/58/36/1062805836.db2.gz UCCFNNVBBOSTBU-LJQANCHMSA-N 1 0 460.627 2.712 20 0 JFADRO CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1)[NH+](C)C ZINC001287329625 1062806312 /nfs/dbraw/zinc/80/63/12/1062806312.db2.gz VYYPWGHAGAAZOP-XMMPIXPASA-N 1 0 496.704 2.887 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001295015109 1062807457 /nfs/dbraw/zinc/80/74/57/1062807457.db2.gz MAVDHWGKUXIQEI-UHFFFAOYSA-N 1 0 489.690 2.679 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)[NH+](C)C ZINC001287330965 1062807762 /nfs/dbraw/zinc/80/77/62/1062807762.db2.gz OBTHFGOLGIFBIP-FGZHOGPDSA-N 1 0 487.693 2.871 20 0 JFADRO CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC2CCCC2)CC1)[NH+](C)C ZINC001287330967 1062807788 /nfs/dbraw/zinc/80/77/88/1062807788.db2.gz OBTHFGOLGIFBIP-YADHBBJMSA-N 1 0 487.693 2.871 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)[NH+](C)C ZINC001287331169 1062808156 /nfs/dbraw/zinc/80/81/56/1062808156.db2.gz FDXSUQUJBCKDKM-RTWAWAEBSA-N 1 0 457.598 2.540 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC001287331386 1062808656 /nfs/dbraw/zinc/80/86/56/1062808656.db2.gz GJOZIXHZALRPSU-GGAORHGYSA-N 1 0 486.636 2.812 20 0 JFADRO CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287333318 1062810868 /nfs/dbraw/zinc/81/08/68/1062810868.db2.gz UCXSMEXCXVWHPE-ZCNNSNEGSA-N 1 0 489.665 2.528 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+](C)C ZINC001287334102 1062811212 /nfs/dbraw/zinc/81/12/12/1062811212.db2.gz PLGXZGOBIPJANB-SBHAEUEKSA-N 1 0 458.582 2.919 20 0 JFADRO CCCS(=O)(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295016789 1062811550 /nfs/dbraw/zinc/81/15/50/1062811550.db2.gz AERNFHJYJVYAJX-FQEVSTJZSA-N 1 0 487.630 2.534 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1)[NH+](C)C ZINC001287334319 1062811820 /nfs/dbraw/zinc/81/18/20/1062811820.db2.gz QWHKQWOWJXKEOZ-QFIPXVFZSA-N 1 0 451.623 2.748 20 0 JFADRO CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001287334834 1062812607 /nfs/dbraw/zinc/81/26/07/1062812607.db2.gz SGLUEJWTFKMYOZ-RDGATRHJSA-N 1 0 455.651 2.541 20 0 JFADRO CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)(N2CCOCC2)C1)[NH+](C)C ZINC001287334830 1062812691 /nfs/dbraw/zinc/81/26/91/1062812691.db2.gz SGLUEJWTFKMYOZ-DHLKQENFSA-N 1 0 455.651 2.541 20 0 JFADRO CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)[NH+](C)C ZINC001287335031 1062812801 /nfs/dbraw/zinc/81/28/01/1062812801.db2.gz YQFKMFTWYPLQHQ-IYWMVGAKSA-N 1 0 489.665 2.509 20 0 JFADRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccncc3I)cc2)CC1 ZINC001295020090 1062820048 /nfs/dbraw/zinc/82/00/48/1062820048.db2.gz OIHUMNYFWVIKJI-UHFFFAOYSA-N 1 0 450.324 2.891 20 0 JFADRO Cc1noc(C2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccsc3)[NH+](C)C)CC2)n1 ZINC001290945909 1062821104 /nfs/dbraw/zinc/82/11/04/1062821104.db2.gz LQHHUGKJMPZDPQ-SFHVURJKSA-N 1 0 472.619 2.856 20 0 JFADRO CC(C)Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287363997 1062829514 /nfs/dbraw/zinc/82/95/14/1062829514.db2.gz PJDAWVDZDQTGJW-NRFANRHFSA-N 1 0 484.645 2.827 20 0 JFADRO Cc1noc(CCCn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)(C)C)CC2)n1 ZINC001290958300 1062834718 /nfs/dbraw/zinc/83/47/18/1062834718.db2.gz NLOQXMONYQODPC-UHFFFAOYSA-N 1 0 472.619 2.514 20 0 JFADRO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001295041386 1062838818 /nfs/dbraw/zinc/83/88/18/1062838818.db2.gz JIYUNCHTRIDGJV-IBGZPJMESA-N 1 0 451.633 2.968 20 0 JFADRO Cc1cc(Cn2c(Cc3ccncc3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)on1 ZINC001290965948 1062841196 /nfs/dbraw/zinc/84/11/96/1062841196.db2.gz NIRUMGHZWODGMR-UHFFFAOYSA-N 1 0 479.507 2.700 20 0 JFADRO CC[NH+]1CCN(c2ccc(CNC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cn3)cn2)CC1 ZINC001290967228 1062842067 /nfs/dbraw/zinc/84/20/67/1062842067.db2.gz SUAZVRPWMWPUHQ-UHFFFAOYSA-N 1 0 454.575 2.824 20 0 JFADRO Cc1nsc(N2CCCN(c3nnc(CC(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC001290973315 1062852255 /nfs/dbraw/zinc/85/22/55/1062852255.db2.gz XIHBDWAKDIOKOR-RTBURBONSA-N 1 0 476.695 2.853 20 0 JFADRO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@H](C1CC1)[NH+](C)C ZINC001290976287 1062856205 /nfs/dbraw/zinc/85/62/05/1062856205.db2.gz PPPXSPGRSCFPKN-SCLBCKFNSA-N 1 0 479.398 2.854 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(F)ccc2Br)n1C[C@@H](C1CC1)[NH+](C)C ZINC001290976285 1062856289 /nfs/dbraw/zinc/85/62/89/1062856289.db2.gz PPPXSPGRSCFPKN-ACJLOTCBSA-N 1 0 479.398 2.854 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001295058337 1062866843 /nfs/dbraw/zinc/86/68/43/1062866843.db2.gz IIVPRGSNNGUTKH-UHFFFAOYSA-N 1 0 492.466 2.979 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001290981386 1062867353 /nfs/dbraw/zinc/86/73/53/1062867353.db2.gz URUNVLJQZKAXLB-RTBURBONSA-N 1 0 491.681 2.647 20 0 JFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC001290981480 1062867471 /nfs/dbraw/zinc/86/74/71/1062867471.db2.gz ICUGLIMKGHQGOB-FQEVSTJZSA-N 1 0 455.559 2.795 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001287442103 1062874760 /nfs/dbraw/zinc/87/47/60/1062874760.db2.gz CMWIBHMOEQGEPQ-RTWAWAEBSA-N 1 0 468.712 2.705 20 0 JFADRO CC(C)Cc1nnc(N2CCC[C@@H](CNC(=O)C(C)C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001287442142 1062875198 /nfs/dbraw/zinc/87/51/98/1062875198.db2.gz DEUYRFMMKOBVHC-CVDCTZTESA-N 1 0 450.697 2.903 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001290990182 1062882109 /nfs/dbraw/zinc/88/21/09/1062882109.db2.gz RFJBODQSAIOUHO-GUDVDZBRSA-N 1 0 471.654 2.643 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001295065216 1062882239 /nfs/dbraw/zinc/88/22/39/1062882239.db2.gz BPTUWXYOVOXXRC-UHFFFAOYSA-N 1 0 454.619 2.813 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001290991957 1062887285 /nfs/dbraw/zinc/88/72/85/1062887285.db2.gz ZSPJWFHXUOIABF-UEVCKROQSA-N 1 0 498.672 2.852 20 0 JFADRO CCN(C)C(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001295068602 1062889384 /nfs/dbraw/zinc/88/93/84/1062889384.db2.gz ZMAMCTKLSHRCPH-LJQANCHMSA-N 1 0 474.053 2.682 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)C1 ZINC001290997886 1062889990 /nfs/dbraw/zinc/88/99/90/1062889990.db2.gz NTCVKFMINDHGAQ-AQNXPRMDSA-N 1 0 498.738 2.850 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)C1 ZINC001290997888 1062890949 /nfs/dbraw/zinc/89/09/49/1062890949.db2.gz NTCVKFMINDHGAQ-VAMGGRTRSA-N 1 0 498.738 2.850 20 0 JFADRO CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC001290999738 1062894514 /nfs/dbraw/zinc/89/45/14/1062894514.db2.gz TTXJMFKHKAKOHK-MHTWAQMVSA-N 1 0 476.666 2.616 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)C1 ZINC001291000255 1062895265 /nfs/dbraw/zinc/89/52/65/1062895265.db2.gz VCRCLODOULEJQW-SZPZYZBQSA-N 1 0 469.678 2.789 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(C3CC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001291000671 1062896138 /nfs/dbraw/zinc/89/61/38/1062896138.db2.gz WSDLFVHQBVNURA-QZTJIDSGSA-N 1 0 466.696 2.678 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC(CCC(N)=O)CC2)C1 ZINC001291000746 1062896721 /nfs/dbraw/zinc/89/67/21/1062896721.db2.gz PIGSPLLJVYJMBL-WOJBJXKFSA-N 1 0 487.693 2.639 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001287461716 1062900275 /nfs/dbraw/zinc/90/02/75/1062900275.db2.gz AVWOQIGQPGNOLZ-SFTDATJTSA-N 1 0 484.645 2.644 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[N@H+]1CC=CCC1 ZINC001287462576 1062903305 /nfs/dbraw/zinc/90/33/05/1062903305.db2.gz PEWICQHBTMQIHX-UHFFFAOYSA-N 1 0 458.557 2.979 20 0 JFADRO CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001295076828 1062904296 /nfs/dbraw/zinc/90/42/96/1062904296.db2.gz YZSPSXDEASMRHD-QFIPXVFZSA-N 1 0 461.614 2.701 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)c3c(F)cccc3F)CC2)n1CC[NH+]1CCSCC1 ZINC001287463387 1062905389 /nfs/dbraw/zinc/90/53/89/1062905389.db2.gz YRCXDZPSWQYZHL-UHFFFAOYSA-N 1 0 478.613 2.766 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001287464312 1062907755 /nfs/dbraw/zinc/90/77/55/1062907755.db2.gz NBUKFPVTVXKVHH-UHFFFAOYSA-N 1 0 476.572 2.578 20 0 JFADRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001295078927 1062908252 /nfs/dbraw/zinc/90/82/52/1062908252.db2.gz STWCEDLBIQKHOW-RBUKOAKNSA-N 1 0 457.596 2.679 20 0 JFADRO CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291010017 1062908583 /nfs/dbraw/zinc/90/85/83/1062908583.db2.gz NXCFFRLOWRBSST-YPAWHYETSA-N 1 0 473.710 2.949 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291011013 1062910248 /nfs/dbraw/zinc/91/02/48/1062910248.db2.gz DPYQTAKIIHEGRT-APAFKAMOSA-N 1 0 472.725 2.587 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291011320 1062912306 /nfs/dbraw/zinc/91/23/06/1062912306.db2.gz IUYRRBSLSOXAPY-XQBPLPMBSA-N 1 0 481.645 2.723 20 0 JFADRO CCN(C)C(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001295083748 1062916500 /nfs/dbraw/zinc/91/65/00/1062916500.db2.gz KIYWIOKLWXVEBH-UHFFFAOYSA-N 1 0 497.688 2.639 20 0 JFADRO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)C1 ZINC001306054469 1062917342 /nfs/dbraw/zinc/91/73/42/1062917342.db2.gz BXVHKSXKWSGEJJ-YTZAWJCFSA-N 1 0 451.567 2.827 20 0 JFADRO C[C@@H]1C[C@H](C)C[N@@H+](CCCn2c([C@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001291013141 1062919313 /nfs/dbraw/zinc/91/93/13/1062919313.db2.gz JPASYQQZQVQULV-LRSLUSHPSA-N 1 0 481.707 2.944 20 0 JFADRO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291013613 1062921032 /nfs/dbraw/zinc/92/10/32/1062921032.db2.gz PJWDCULWRZTYTO-YRPNKDGESA-N 1 0 455.669 2.757 20 0 JFADRO C[C@@H]1C[C@@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C1 ZINC001291013696 1062921800 /nfs/dbraw/zinc/92/18/00/1062921800.db2.gz QIWUKDVOWFWTHJ-WOJBJXKFSA-N 1 0 483.665 2.733 20 0 JFADRO C[C@H]1C[C@H](C)C[NH+](CCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)C1 ZINC001291014076 1062922324 /nfs/dbraw/zinc/92/23/24/1062922324.db2.gz XGMHPNKZGDJIRR-OALUTQOASA-N 1 0 462.602 2.838 20 0 JFADRO CC(C)Cc1nnc(N2CC[NH+](C3CCC3)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001287474743 1062923216 /nfs/dbraw/zinc/92/32/16/1062923216.db2.gz GFTQYZDQWYTBSY-UHFFFAOYSA-N 1 0 461.632 2.634 20 0 JFADRO CN1CC[C@H](NC(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)[C@H]1c1ccc(F)cc1 ZINC001295094940 1062927840 /nfs/dbraw/zinc/92/78/40/1062927840.db2.gz PRRMTXBJZUHOOC-OXJNMPFZSA-N 1 0 453.486 2.720 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC001287476331 1062928700 /nfs/dbraw/zinc/92/87/00/1062928700.db2.gz ISRJRTDDAPPIHU-TZIWHRDSSA-N 1 0 486.636 2.649 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCCN1CCCCCC1=O ZINC001287476767 1062932122 /nfs/dbraw/zinc/93/21/22/1062932122.db2.gz PGIIQLFHOLYQIE-NRFANRHFSA-N 1 0 460.667 2.959 20 0 JFADRO CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287476813 1062932271 /nfs/dbraw/zinc/93/22/71/1062932271.db2.gz PDBSGMNRTMRHDG-UHFFFAOYSA-N 1 0 473.710 2.876 20 0 JFADRO CC(C)Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001287477040 1062932730 /nfs/dbraw/zinc/93/27/30/1062932730.db2.gz SVKWZJGRSKEYBD-OAQYLSRUSA-N 1 0 498.672 2.681 20 0 JFADRO CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc32)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001295111056 1062934817 /nfs/dbraw/zinc/93/48/17/1062934817.db2.gz QMWVPVHFGXSZON-GOSISDBHSA-N 1 0 453.591 2.539 20 0 JFADRO C[C@@H]1C[C@@H](CCn2c([C@H]3CCCO3)nnc2N(C)CCS(C)(=O)=O)C[N@@H+]1Cc1ccccc1 ZINC001291020831 1062937778 /nfs/dbraw/zinc/93/77/78/1062937778.db2.gz KWHLQOQNALAYIP-CEMLEFRQSA-N 1 0 475.659 2.911 20 0 JFADRO CC(C)Cc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1(C)CCOCC1 ZINC001287482432 1062938666 /nfs/dbraw/zinc/93/86/66/1062938666.db2.gz UAORVMJMNPWADL-QFIPXVFZSA-N 1 0 462.683 2.525 20 0 JFADRO CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001287486013 1062941606 /nfs/dbraw/zinc/94/16/06/1062941606.db2.gz BFOLYYQKKSDLBS-INIZCTEOSA-N 1 0 455.529 2.559 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001291022731 1062942156 /nfs/dbraw/zinc/94/21/56/1062942156.db2.gz KXAOQIMLTGVQSM-YRPNKDGESA-N 1 0 482.695 2.547 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCC(S(C)(=O)=O)CC2)c1 ZINC001295126650 1062943006 /nfs/dbraw/zinc/94/30/06/1062943006.db2.gz HLXGLHLBCIQFHB-UHFFFAOYSA-N 1 0 456.616 2.787 20 0 JFADRO CC(C)Cc1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1CC1([NH+](C)C)CCOCC1 ZINC001287486715 1062943336 /nfs/dbraw/zinc/94/33/36/1062943336.db2.gz KQINQTQBYHFVFB-UHFFFAOYSA-N 1 0 455.529 2.823 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c(CC(C)(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)c1 ZINC001295127370 1062945532 /nfs/dbraw/zinc/94/55/32/1062945532.db2.gz OXILIRKVUDREQF-UHFFFAOYSA-N 1 0 476.691 2.885 20 0 JFADRO CC[N@H+](C)Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)c1 ZINC001295127497 1062946465 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/nfs/dbraw/zinc/94/92/90/1062949290.db2.gz KXYQOCFNBLGLJT-LEWJYISDSA-N 1 0 461.632 2.643 20 0 JFADRO CC(C)Cc1nnc(N2CCO[C@H](c3nccs3)C2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001287495691 1062950091 /nfs/dbraw/zinc/95/00/91/1062950091.db2.gz SFMRJLDHVLEAEO-FQEVSTJZSA-N 1 0 461.680 2.785 20 0 JFADRO CC(C)Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001287497220 1062950792 /nfs/dbraw/zinc/95/07/92/1062950792.db2.gz MYINVQANDMXEGT-NHCUHLMSSA-N 1 0 494.681 2.707 20 0 JFADRO CC(C)Cc1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001287507240 1062955392 /nfs/dbraw/zinc/95/53/92/1062955392.db2.gz ZSHUDWSYPVFOKE-UUOWRZLLSA-N 1 0 462.639 2.691 20 0 JFADRO CCN(c1nnc(C(C)C)n1C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001295140644 1062958799 /nfs/dbraw/zinc/95/87/99/1062958799.db2.gz CSBQDOCJQZXAJS-VXKWHMMOSA-N 1 0 459.660 2.980 20 0 JFADRO C[C@@H]1C[C@@H](N(C)c2nnc(CC3CC3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001291032494 1062963190 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1063064100 /nfs/dbraw/zinc/06/41/00/1063064100.db2.gz BYQWMMOACFNWCA-DENIHFKCSA-N 1 0 493.649 2.988 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc([S@](C)=O)cc2)C1 ZINC001287739915 1063064392 /nfs/dbraw/zinc/06/43/92/1063064392.db2.gz SZUFHTVTNYNDIF-PVQFMVPOSA-N 1 0 486.686 2.971 20 0 JFADRO CC(C)C[N@@H+]1CCC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(F)cc3C2)C1 ZINC001287740486 1063065569 /nfs/dbraw/zinc/06/55/69/1063065569.db2.gz WBIXTIWHATVDPZ-RBUKOAKNSA-N 1 0 492.665 2.958 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001291099596 1063066201 /nfs/dbraw/zinc/06/62/01/1063066201.db2.gz KEPUWQUQEOHVNY-MOPGFXCFSA-N 1 0 458.582 2.962 20 0 JFADRO C[C@@H]1CCCC[N@@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 ZINC001291100217 1063067334 /nfs/dbraw/zinc/06/73/34/1063067334.db2.gz VTHJJGLRRQKMMQ-UYAOXDASSA-N 1 0 496.703 2.573 20 0 JFADRO CC(C)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC1=O ZINC001287741612 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2.831 20 0 JFADRO CC(C)C[NH+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2CCCCO2)CC1 ZINC001287768882 1063095069 /nfs/dbraw/zinc/09/50/69/1063095069.db2.gz LKUMTHSRCCBSFR-LEWJYISDSA-N 1 0 492.665 2.934 20 0 JFADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107547 1063096689 /nfs/dbraw/zinc/09/66/89/1063096689.db2.gz KELRCQSLSTXHBV-NXMSCROESA-N 1 0 458.582 2.818 20 0 JFADRO C[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107882 1063098190 /nfs/dbraw/zinc/09/81/90/1063098190.db2.gz NRHXHWVIKRRMEI-CEXWTWQISA-N 1 0 458.582 2.818 20 0 JFADRO C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291108414 1063099717 /nfs/dbraw/zinc/09/97/17/1063099717.db2.gz VXRQWQGUPKZCIZ-AABGKKOBSA-N 1 0 468.712 2.753 20 0 JFADRO CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1=O ZINC001287778239 1063100789 /nfs/dbraw/zinc/10/07/89/1063100789.db2.gz 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CBGGCKRTWLWQSE-OAQYLSRUSA-N 1 0 453.635 2.863 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC001291147027 1063232040 /nfs/dbraw/zinc/23/20/40/1063232040.db2.gz PHGCFZJYOPXQQF-QFIPXVFZSA-N 1 0 454.619 2.658 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001291147026 1063232112 /nfs/dbraw/zinc/23/21/12/1063232112.db2.gz PHGCFZJYOPXQQF-JOCHJYFZSA-N 1 0 454.619 2.658 20 0 JFADRO C[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC001291147045 1063232685 /nfs/dbraw/zinc/23/26/85/1063232685.db2.gz PRTQGNPXQZAVQO-WIYYLYMNSA-N 1 0 475.037 2.945 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295333823 1063233153 /nfs/dbraw/zinc/23/31/53/1063233153.db2.gz BFHIGAPBFACHSN-JOCHJYFZSA-N 1 0 461.699 2.732 20 0 JFADRO CCN(CC)C(=O)CN1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335039 1063247569 /nfs/dbraw/zinc/24/75/69/1063247569.db2.gz WZSNJSBBQUOVPY-FGZHOGPDSA-N 1 0 473.710 2.732 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295336408 1063257771 /nfs/dbraw/zinc/25/77/71/1063257771.db2.gz QFZXUIMRWHNLCA-HXUWFJFHSA-N 1 0 483.617 2.733 20 0 JFADRO CC1CC[NH+](C[C@H]2CCCN(c3nnc(-c4cccn4C)n3CCCS(C)(=O)=O)C2)CC1 ZINC001291179863 1063269892 /nfs/dbraw/zinc/26/98/92/1063269892.db2.gz OQGVPYGDZPEEMI-HXUWFJFHSA-N 1 0 462.664 2.667 20 0 JFADRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC001295342637 1063270197 /nfs/dbraw/zinc/27/01/97/1063270197.db2.gz QESCPXZAACDSBS-MBSDFSHPSA-N 1 0 452.603 2.754 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291180120 1063270843 /nfs/dbraw/zinc/27/08/43/1063270843.db2.gz URKWWBQJLSYVMC-UHFFFAOYSA-N 1 0 475.682 2.623 20 0 JFADRO CC1CC[NH+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001291180393 1063272591 /nfs/dbraw/zinc/27/25/91/1063272591.db2.gz ASANVKKTVRLENW-OALUTQOASA-N 1 0 455.694 2.634 20 0 JFADRO CC1CC[NH+](CCCCn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001291180541 1063273161 /nfs/dbraw/zinc/27/31/61/1063273161.db2.gz FXJGQHMDMIYEDW-UHFFFAOYSA-N 1 0 491.706 2.656 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181333 1063274043 /nfs/dbraw/zinc/27/40/43/1063274043.db2.gz FJNYCBPRUIFFNS-UHFFFAOYSA-N 1 0 481.645 2.501 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cc(Br)cn3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001291181313 1063274061 /nfs/dbraw/zinc/27/40/61/1063274061.db2.gz DJAJIAJRAHKYNA-QGZVFWFLSA-N 1 0 492.466 2.835 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3ccc(F)cc3C2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181466 1063274640 /nfs/dbraw/zinc/27/46/40/1063274640.db2.gz IVLWLQXATMTJMU-SFHVURJKSA-N 1 0 478.638 2.712 20 0 JFADRO CC1CC[NH+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001291181590 1063275764 /nfs/dbraw/zinc/27/57/64/1063275764.db2.gz NCHYFZKGPLJSJY-GOSISDBHSA-N 1 0 462.545 2.980 20 0 JFADRO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1CCCC[NH+]1CCC(C)CC1 ZINC001291181728 1063275905 /nfs/dbraw/zinc/27/59/05/1063275905.db2.gz QKTVHXAIDONQCJ-SLFFLAALSA-N 1 0 455.669 2.900 20 0 JFADRO CC1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001291182522 1063277888 /nfs/dbraw/zinc/27/78/88/1063277888.db2.gz PTLLYUWKLSJXQW-UXHICEINSA-N 1 0 453.653 2.655 20 0 JFADRO CC1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CCN2CCOC(C)(C)C2)CC1 ZINC001291183450 1063280243 /nfs/dbraw/zinc/28/02/43/1063280243.db2.gz RXKUDMISGCXGCM-UHFFFAOYSA-N 1 0 469.678 2.933 20 0 JFADRO CC(C)NC(=O)c1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CC[NH+]1CCC(C)CC1 ZINC001291183558 1063280529 /nfs/dbraw/zinc/28/05/29/1063280529.db2.gz WZFQBGYLCXPUSI-UHFFFAOYSA-N 1 0 477.654 2.642 20 0 JFADRO CC1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001291183796 1063281481 /nfs/dbraw/zinc/28/14/81/1063281481.db2.gz FFMUNBXRCKGOEW-LJQANCHMSA-N 1 0 452.024 2.954 20 0 JFADRO C[C@H](Oc1ccc(F)cc1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCC(C)CC1 ZINC001291183983 1063281677 /nfs/dbraw/zinc/28/16/77/1063281677.db2.gz LIOVZIRDXXKVIP-OALUTQOASA-N 1 0 458.582 2.956 20 0 JFADRO CCN(CC)C(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295345220 1063281969 /nfs/dbraw/zinc/28/19/69/1063281969.db2.gz XGNCCMKMTGXLML-DEOSSOPVSA-N 1 0 499.679 2.873 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001295345377 1063283417 /nfs/dbraw/zinc/28/34/17/1063283417.db2.gz CDQHASOVJFLOQJ-UHFFFAOYSA-N 1 0 473.670 2.771 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC001295345345 1063283519 /nfs/dbraw/zinc/28/35/19/1063283519.db2.gz BFXKFXGPZMWVLX-UHFFFAOYSA-N 1 0 458.655 2.986 20 0 JFADRO CC1CC[NH+](CCn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001291185010 1063284468 /nfs/dbraw/zinc/28/44/68/1063284468.db2.gz RGHXIFOBNJINGU-UHFFFAOYSA-N 1 0 497.692 2.535 20 0 JFADRO C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccc2F)n1CC[NH+]1CCC(C)CC1 ZINC001291185122 1063284512 /nfs/dbraw/zinc/28/45/12/1063284512.db2.gz UWGPUWMBYXUTCF-GOSISDBHSA-N 1 0 451.612 2.609 20 0 JFADRO CC1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001291185071 1063284641 /nfs/dbraw/zinc/28/46/41/1063284641.db2.gz TTXXXJBPSWHAOV-FQEVSTJZSA-N 1 0 466.696 2.603 20 0 JFADRO CC1CC[NH+](CCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001291185979 1063288012 /nfs/dbraw/zinc/28/80/12/1063288012.db2.gz VRJJQCVNXFPKBK-UXHICEINSA-N 1 0 489.665 2.749 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001295349508 1063292919 /nfs/dbraw/zinc/29/29/19/1063292919.db2.gz SQMLYSXFJOYNHK-OAQYLSRUSA-N 1 0 499.660 2.506 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(-c3ccccc3F)nnc2N2CCN(C)C(=O)[C@@H]2C)C[C@H](C)O1 ZINC001291187262 1063294690 /nfs/dbraw/zinc/29/46/90/1063294690.db2.gz RJXASNRCLKMMMS-KSZLIROESA-N 1 0 458.582 2.639 20 0 JFADRO CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001291187337 1063295080 /nfs/dbraw/zinc/29/50/80/1063295080.db2.gz SLVOZRRLYDBMPM-WOZUAGRISA-N 1 0 450.672 2.835 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291187703 1063297344 /nfs/dbraw/zinc/29/73/44/1063297344.db2.gz YFUFARHZYLGFGX-CEXWTWQISA-N 1 0 484.711 2.793 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295351253 1063297493 /nfs/dbraw/zinc/29/74/93/1063297493.db2.gz OSYMOIUAYQAPKE-PZJWPPBQSA-N 1 0 473.622 2.999 20 0 JFADRO C[C@H]1C[NH+](C(C)(C)Cn2c(Cc3ccccc3F)nnc2N(C)CCN2CCOCC2)C[C@H](C)O1 ZINC001291188148 1063300477 /nfs/dbraw/zinc/30/04/77/1063300477.db2.gz GDPHRWQSBOFUDS-SFTDATJTSA-N 1 0 488.652 2.664 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001295352029 1063300710 /nfs/dbraw/zinc/30/07/10/1063300710.db2.gz XURUFTNFHLWGPZ-YADHBBJMSA-N 1 0 475.682 2.876 20 0 JFADRO C[C@@H]1C[N@H+](C(C)(C)Cn2c(CC3CC3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001291188103 1063300811 /nfs/dbraw/zinc/30/08/11/1063300811.db2.gz FNIJQIATYOFRKH-OYRHEFFESA-N 1 0 476.710 2.913 20 0 JFADRO CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001291189198 1063307368 /nfs/dbraw/zinc/30/73/68/1063307368.db2.gz XBSHWVITXISKAT-ZCNNSNEGSA-N 1 0 478.707 2.866 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295354531 1063308015 /nfs/dbraw/zinc/30/80/15/1063308015.db2.gz PFUZTRQXQSELJH-QHCPKHFHSA-N 1 0 482.677 2.968 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+](C)C1CCCC1 ZINC001291189573 1063311212 /nfs/dbraw/zinc/31/12/12/1063311212.db2.gz DLOVFYJEUTUHTD-HNNXBMFYSA-N 1 0 478.439 2.587 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001295356248 1063311510 /nfs/dbraw/zinc/31/15/10/1063311510.db2.gz ZVVBSUOEDOFCRI-QHCPKHFHSA-N 1 0 467.662 2.987 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001295356191 1063311663 /nfs/dbraw/zinc/31/16/63/1063311663.db2.gz ROPGZGLYHWLNNN-NHCUHLMSSA-N 1 0 463.671 2.560 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295356265 1063312015 /nfs/dbraw/zinc/31/20/15/1063312015.db2.gz RVGGJUDAHOROPM-UHFFFAOYSA-N 1 0 487.599 2.993 20 0 JFADRO CCN(CC)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001295356809 1063312618 /nfs/dbraw/zinc/31/26/18/1063312618.db2.gz YJJCNHKWITYJEF-UHFFFAOYSA-N 1 0 468.650 2.722 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001295358269 1063314350 /nfs/dbraw/zinc/31/43/50/1063314350.db2.gz IBEUTXXWJGKLLM-RLLQIKCJSA-N 1 0 470.574 2.992 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCn2nc(C)nc2C1 ZINC001295358135 1063314447 /nfs/dbraw/zinc/31/44/47/1063314447.db2.gz HQRKNCWLHICRJT-GOSISDBHSA-N 1 0 465.606 2.798 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC001295358036 1063314518 /nfs/dbraw/zinc/31/45/18/1063314518.db2.gz GBFKETDXILWZEH-GOSISDBHSA-N 1 0 470.618 2.952 20 0 JFADRO C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001291190605 1063316390 /nfs/dbraw/zinc/31/63/90/1063316390.db2.gz ZZTWKYOCVFGEEJ-KSSFIOAISA-N 1 0 461.408 2.715 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCCCO2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001291192174 1063318462 /nfs/dbraw/zinc/31/84/62/1063318462.db2.gz GAGOBCGEWQDESO-KNQAVFIVSA-N 1 0 470.618 2.565 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC(=O)N(C)C[C@@H]1C)C(C)C ZINC001291192076 1063318482 /nfs/dbraw/zinc/31/84/82/1063318482.db2.gz DNLQTYVXSVDQSH-UGKGYDQZSA-N 1 0 470.618 2.966 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001295361227 1063322591 /nfs/dbraw/zinc/32/25/91/1063322591.db2.gz JDFFKRSSWQEARG-DOTOQJQBSA-N 1 0 450.534 2.979 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001295363399 1063324295 /nfs/dbraw/zinc/32/42/95/1063324295.db2.gz VUEXNDADCJDJRJ-IBGZPJMESA-N 1 0 476.069 2.975 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001295363463 1063324873 /nfs/dbraw/zinc/32/48/73/1063324873.db2.gz AMSRTCPNBNCOMA-SFTDATJTSA-N 1 0 456.635 2.843 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295363617 1063325548 /nfs/dbraw/zinc/32/55/48/1063325548.db2.gz CXWRTKVJZJVGAI-UUOWRZLLSA-N 1 0 459.591 2.688 20 0 JFADRO C[C@@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1CC(C)(C)C[NH+]1CCCC1 ZINC001291194168 1063326368 /nfs/dbraw/zinc/32/63/68/1063326368.db2.gz RIXTZWNVGXASSU-HXUWFJFHSA-N 1 0 454.619 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)OC)CC1 ZINC001295364706 1063326359 /nfs/dbraw/zinc/32/63/59/1063326359.db2.gz GSBVEIUVEAFSEX-QGZVFWFLSA-N 1 0 460.579 2.581 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001295365546 1063328181 /nfs/dbraw/zinc/32/81/81/1063328181.db2.gz JPHLCJUFCOHLTA-FUHWJXTLSA-N 1 0 476.025 2.893 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001295365636 1063328900 /nfs/dbraw/zinc/32/89/00/1063328900.db2.gz IAGXLJJKCAQQIN-RDTXWAMCSA-N 1 0 469.417 2.933 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CCC(N)=O)CC1 ZINC001295366509 1063330429 /nfs/dbraw/zinc/33/04/29/1063330429.db2.gz ULLJYPNCGZNPRT-KRWDZBQOSA-N 1 0 456.591 2.886 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295366889 1063330796 /nfs/dbraw/zinc/33/07/96/1063330796.db2.gz VNFYICODKAKVEH-MJGOQNOKSA-N 1 0 456.616 2.847 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCS[C@H](C)C1 ZINC001295372263 1063338410 /nfs/dbraw/zinc/33/84/10/1063338410.db2.gz CDZZPNWSAKRSCS-IAGOWNOFSA-N 1 0 455.632 2.864 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001295372757 1063339333 /nfs/dbraw/zinc/33/93/33/1063339333.db2.gz HRWBAJKQWHOUQL-MOPGFXCFSA-N 1 0 494.644 2.633 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001295372795 1063339492 /nfs/dbraw/zinc/33/94/92/1063339492.db2.gz WJFUSUPSTRKBBD-OAQYLSRUSA-N 1 0 461.614 2.962 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001295373258 1063340504 /nfs/dbraw/zinc/34/05/04/1063340504.db2.gz LEEDRLPTTWKVMW-CQSZACIVSA-N 1 0 455.592 2.756 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CC=CCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291197240 1063341908 /nfs/dbraw/zinc/34/19/08/1063341908.db2.gz ADSDTOMCYYXBRU-RBUKOAKNSA-N 1 0 496.616 2.537 20 0 JFADRO C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC001291197788 1063344066 /nfs/dbraw/zinc/34/40/66/1063344066.db2.gz JYRWLKAEEAAMLY-MSOLQXFVSA-N 1 0 498.632 2.854 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001295375163 1063344284 /nfs/dbraw/zinc/34/42/84/1063344284.db2.gz ZXTGQPVMOLJXIO-YQVWRLOYSA-N 1 0 460.627 2.758 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001295375161 1063344312 /nfs/dbraw/zinc/34/43/12/1063344312.db2.gz ZXTGQPVMOLJXIO-LMMKCTJWSA-N 1 0 460.627 2.758 20 0 JFADRO C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC001291197791 1063344758 /nfs/dbraw/zinc/34/47/58/1063344758.db2.gz JYRWLKAEEAAMLY-ZWKOTPCHSA-N 1 0 498.632 2.854 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001295376745 1063345672 /nfs/dbraw/zinc/34/56/72/1063345672.db2.gz PPTJRAVTXZVVBL-VAMGGRTRSA-N 1 0 491.681 2.825 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001295376906 1063346230 /nfs/dbraw/zinc/34/62/30/1063346230.db2.gz QKQVAGFFABEICC-AABGKKOBSA-N 1 0 456.639 2.796 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001295376907 1063346328 /nfs/dbraw/zinc/34/63/28/1063346328.db2.gz QKQVAGFFABEICC-AQNXPRMDSA-N 1 0 456.639 2.796 20 0 JFADRO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291198060 1063347143 /nfs/dbraw/zinc/34/71/43/1063347143.db2.gz OZTCCGVYZCAVMF-STQSFFJQSA-N 1 0 487.674 2.783 20 0 JFADRO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291198061 1063347197 /nfs/dbraw/zinc/34/71/97/1063347197.db2.gz OZTCCGVYZCAVMF-USXNREEHSA-N 1 0 487.674 2.783 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 ZINC001295378252 1063347603 /nfs/dbraw/zinc/34/76/03/1063347603.db2.gz ZFTPPVYYPWYSHS-GUDVDZBRSA-N 1 0 461.611 2.987 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001295378476 1063348178 /nfs/dbraw/zinc/34/81/78/1063348178.db2.gz FPVBESFYGRUWKZ-RBBKRZOGSA-N 1 0 454.619 2.783 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001295378566 1063348438 /nfs/dbraw/zinc/34/84/38/1063348438.db2.gz GWCBHTVWOAWHMJ-RTWAWAEBSA-N 1 0 461.699 2.730 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC001295378565 1063348594 /nfs/dbraw/zinc/34/85/94/1063348594.db2.gz GWCBHTVWOAWHMJ-NHCUHLMSSA-N 1 0 461.699 2.730 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001295378709 1063349046 /nfs/dbraw/zinc/34/90/46/1063349046.db2.gz JAKAUCVAZKFIEE-YFVAEKQCSA-N 1 0 479.622 2.628 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001295378806 1063349222 /nfs/dbraw/zinc/34/92/22/1063349222.db2.gz KFEDIIRCZKHKQM-DENIHFKCSA-N 1 0 492.665 2.743 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001295379549 1063351889 /nfs/dbraw/zinc/35/18/89/1063351889.db2.gz MXZIPFAJMOQTFE-GUDVDZBRSA-N 1 0 450.628 2.958 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 ZINC001295381720 1063354464 /nfs/dbraw/zinc/35/44/64/1063354464.db2.gz WHHSVNCPROAKMM-RBUKOAKNSA-N 1 0 460.598 2.987 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295383317 1063355900 /nfs/dbraw/zinc/35/59/00/1063355900.db2.gz AQKVDWSDZDZVFX-ZEVJAHDQSA-N 1 0 495.716 2.782 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001295383701 1063356953 /nfs/dbraw/zinc/35/69/53/1063356953.db2.gz CCVBYTXRYRLYGR-NHCUHLMSSA-N 1 0 459.639 2.644 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001295383769 1063357240 /nfs/dbraw/zinc/35/72/40/1063357240.db2.gz COVVZGJLULBFBH-RTBURBONSA-N 1 0 490.674 2.774 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295384361 1063359230 /nfs/dbraw/zinc/35/92/30/1063359230.db2.gz GRBGLSLWJAMLQO-HKUYNNGSSA-N 1 0 450.628 2.691 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001295384365 1063359632 /nfs/dbraw/zinc/35/96/32/1063359632.db2.gz GRBGLSLWJAMLQO-MJGOQNOKSA-N 1 0 450.628 2.691 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)C2)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001291205047 1063362302 /nfs/dbraw/zinc/36/23/02/1063362302.db2.gz DDCSXUBYZSJEAN-OALUTQOASA-N 1 0 492.715 2.864 20 0 JFADRO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1Cc1ccc(Cl)s1 ZINC001291205150 1063362323 /nfs/dbraw/zinc/36/23/23/1063362323.db2.gz FLHIOZQXNDVAHH-LSDHHAIUSA-N 1 0 487.095 2.962 20 0 JFADRO C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001291205979 1063366396 /nfs/dbraw/zinc/36/63/96/1063366396.db2.gz QQBDCRRVVUPLHE-IXDOHACOSA-N 1 0 484.717 2.729 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001295389774 1063367720 /nfs/dbraw/zinc/36/77/20/1063367720.db2.gz MLBFEKHZJOVOHN-DHIUTWEWSA-N 1 0 496.704 2.517 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001295389908 1063368102 /nfs/dbraw/zinc/36/81/02/1063368102.db2.gz ILMSEALSQJKIDY-BBTUJRGHSA-N 1 0 458.582 2.784 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCN1CCOCC1 ZINC001295390536 1063370112 /nfs/dbraw/zinc/37/01/12/1063370112.db2.gz PYSCDDYKDFGVRT-RTWAWAEBSA-N 1 0 493.697 2.849 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001295390773 1063370640 /nfs/dbraw/zinc/37/06/40/1063370640.db2.gz AKPQZMUKOTXYGQ-FUHWJXTLSA-N 1 0 484.692 2.648 20 0 JFADRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 ZINC001295390864 1063371554 /nfs/dbraw/zinc/37/15/54/1063371554.db2.gz RXIJGVMAYBBVLU-HKUYNNGSSA-N 1 0 477.654 2.782 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccsc1 ZINC001295394131 1063380070 /nfs/dbraw/zinc/38/00/70/1063380070.db2.gz XVJHPNXUQIMUSL-AZUAARDMSA-N 1 0 487.674 2.751 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1)c1ccccc1 ZINC001295393787 1063380108 /nfs/dbraw/zinc/38/01/08/1063380108.db2.gz VEAIIFBGYDJXLK-QHCPKHFHSA-N 1 0 495.672 2.950 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1)c1ccco1 ZINC001295394090 1063380125 /nfs/dbraw/zinc/38/01/25/1063380125.db2.gz XLQRZIQYMLWCKJ-GOSISDBHSA-N 1 0 452.625 2.596 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001295397419 1063384105 /nfs/dbraw/zinc/38/41/05/1063384105.db2.gz MYRNQNMIAINJNW-MOPGFXCFSA-N 1 0 462.595 2.993 20 0 JFADRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC001295402301 1063387604 /nfs/dbraw/zinc/38/76/04/1063387604.db2.gz AJECTOZPTSQMFN-GOTSBHOMSA-N 1 0 478.645 2.925 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001295403587 1063388149 /nfs/dbraw/zinc/38/81/49/1063388149.db2.gz XEOSAHOVGPFXGE-LJQANCHMSA-N 1 0 466.677 2.772 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 ZINC001295403992 1063389715 /nfs/dbraw/zinc/38/97/15/1063389715.db2.gz BKMPJBPZBXVJQV-BPYKYCOYSA-N 1 0 454.619 2.957 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2([NH+](C)C)CCCCC2)CC(=O)N1C ZINC001291211471 1063393981 /nfs/dbraw/zinc/39/39/81/1063393981.db2.gz VKVOOPKLOKJEEC-OAHLLOKOSA-N 1 0 478.439 2.967 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC(=O)N1C ZINC001291211728 1063397117 /nfs/dbraw/zinc/39/71/17/1063397117.db2.gz ZUZQNRCLBIEQMD-YJBOKZPZSA-N 1 0 492.466 2.833 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C)c1ccco1 ZINC001295407342 1063398561 /nfs/dbraw/zinc/39/85/61/1063398561.db2.gz SZZOCBKSXWOIKC-HUUJSLGLSA-N 1 0 494.662 2.522 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2CC2([NH+](C)C)CCC2)CC(=O)N1C ZINC001291212403 1063399035 /nfs/dbraw/zinc/39/90/35/1063399035.db2.gz NLBJRNTUMQZSAG-AWEZNQCLSA-N 1 0 479.398 2.998 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)CC1)c1ccsc1 ZINC001295407682 1063399997 /nfs/dbraw/zinc/39/99/97/1063399997.db2.gz XMNJUSKMVHOUAP-HXUWFJFHSA-N 1 0 453.616 2.735 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccco1 ZINC001295408106 1063401180 /nfs/dbraw/zinc/40/11/80/1063401180.db2.gz YXZJUMGFVRVXQX-IRLDBZIGSA-N 1 0 484.576 2.635 20 0 JFADRO CC[NH+](CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001295408133 1063401916 /nfs/dbraw/zinc/40/19/16/1063401916.db2.gz ZDZXXWNYFCAPRG-VQTJNVASSA-N 1 0 458.607 2.763 20 0 JFADRO C[C@@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1)[N@H+](C)C1CC1 ZINC001291213342 1063404274 /nfs/dbraw/zinc/40/42/74/1063404274.db2.gz DEDLHYGPBZXJSP-ZWKOTPCHSA-N 1 0 490.674 2.682 20 0 JFADRO CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1)[NH+]1CCCC1 ZINC001291214369 1063413391 /nfs/dbraw/zinc/41/33/91/1063413391.db2.gz VFPJYINZZJTXAY-GHTZIAJQSA-N 1 0 461.632 2.694 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001291214459 1063415572 /nfs/dbraw/zinc/41/55/72/1063415572.db2.gz XEFXOTGLGWVWBV-PMAPCBKXSA-N 1 0 492.715 2.725 20 0 JFADRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC001295417528 1063421363 /nfs/dbraw/zinc/42/13/63/1063421363.db2.gz BQEJXKBRYXZPQT-LJQANCHMSA-N 1 0 459.490 2.549 20 0 JFADRO CCN(CC)c1ccc(Cn2c(CC(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001295418154 1063423702 /nfs/dbraw/zinc/42/37/02/1063423702.db2.gz AQAOVEFZBAEQOK-UHFFFAOYSA-N 1 0 482.677 2.511 20 0 JFADRO COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC001295423358 1063436878 /nfs/dbraw/zinc/43/68/78/1063436878.db2.gz ABCBQUMSLSCWIN-UHFFFAOYSA-N 1 0 457.596 2.828 20 0 JFADRO CC1CC[NH+](C2CCC(NC(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)CC2)CC1 ZINC001295438637 1063443554 /nfs/dbraw/zinc/44/35/54/1063443554.db2.gz FDXXQYFBBDSIEM-UHFFFAOYSA-N 1 0 454.662 2.525 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)CCN1CC(F)(F)F ZINC001291219822 1063447512 /nfs/dbraw/zinc/44/75/12/1063447512.db2.gz RZEJTUMSIJMQES-MGPUTAFESA-N 1 0 472.943 2.738 20 0 JFADRO CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001295461452 1063461615 /nfs/dbraw/zinc/46/16/15/1063461615.db2.gz YGKSOUVUQWECKO-KDURUIRLSA-N 1 0 463.671 2.921 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCS(C)(=O)=O)CC1 ZINC001295464268 1063466650 /nfs/dbraw/zinc/46/66/50/1063466650.db2.gz ZMJRYHDSPAJMJH-QGZVFWFLSA-N 1 0 467.611 2.912 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)N(C)C)CC1 ZINC001295464655 1063467522 /nfs/dbraw/zinc/46/75/22/1063467522.db2.gz KFWTWQTYUHKTAI-UHFFFAOYSA-N 1 0 456.591 2.505 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001295464604 1063467573 /nfs/dbraw/zinc/46/75/73/1063467573.db2.gz ISBVPSANYNOICX-OAQYLSRUSA-N 1 0 490.674 2.688 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001295464722 1063468512 /nfs/dbraw/zinc/46/85/12/1063468512.db2.gz FLXVDWJYDPAVPR-OAQYLSRUSA-N 1 0 478.439 2.825 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2(O)CCC2)CC1 ZINC001295465006 1063469132 /nfs/dbraw/zinc/46/91/32/1063469132.db2.gz HYTAMQJBLZKZCV-UHFFFAOYSA-N 1 0 475.659 2.964 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(COC)c2)CC1 ZINC001295471563 1063475826 /nfs/dbraw/zinc/47/58/26/1063475826.db2.gz FRIKDLZSNWEXSD-OAQYLSRUSA-N 1 0 475.659 2.686 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(N(C)C)cc2)CC1 ZINC001295471892 1063476824 /nfs/dbraw/zinc/47/68/24/1063476824.db2.gz GEKUTUUXVHQBMZ-QFIPXVFZSA-N 1 0 453.635 2.849 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001295471864 1063476956 /nfs/dbraw/zinc/47/69/56/1063476956.db2.gz NTLRCQOMFGRYDN-RDPSFJRHSA-N 1 0 458.582 2.587 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(OC)c2)CC1 ZINC001295472624 1063477603 /nfs/dbraw/zinc/47/76/03/1063477603.db2.gz LCOBFJQHNPBUIN-FQEVSTJZSA-N 1 0 470.618 2.531 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)CC1 ZINC001295472471 1063477663 /nfs/dbraw/zinc/47/76/63/1063477663.db2.gz RSSMTSQKKIQOOY-UHFFFAOYSA-N 1 0 451.575 2.869 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCOCC[NH+](C)C)CCN1CC(F)(F)F ZINC001291228457 1063478389 /nfs/dbraw/zinc/47/83/89/1063478389.db2.gz SCZFGPHLYGRVQQ-MRXNPFEDSA-N 1 0 458.504 2.735 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)c2ccccc2)CC1 ZINC001295473093 1063478528 /nfs/dbraw/zinc/47/85/28/1063478528.db2.gz USCMBFUFIJPSRS-UHFFFAOYSA-N 1 0 483.642 2.629 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCCC2)CC1 ZINC001295473865 1063479352 /nfs/dbraw/zinc/47/93/52/1063479352.db2.gz WEYMZHUFPLZMOD-LJQANCHMSA-N 1 0 467.680 2.840 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)cc(OC)c2)CC1 ZINC001295474108 1063480463 /nfs/dbraw/zinc/48/04/63/1063480463.db2.gz ZSKIJEUEFUGBFU-GOSISDBHSA-N 1 0 479.622 2.687 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 ZINC001295474546 1063481267 /nfs/dbraw/zinc/48/12/67/1063481267.db2.gz CCLJNOBCRGXYEN-UHFFFAOYSA-N 1 0 473.618 2.718 20 0 JFADRO C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CCN1CC(F)(F)F ZINC001291230111 1063483274 /nfs/dbraw/zinc/48/32/74/1063483274.db2.gz UYWOCJGKPYIFKS-RBUKOAKNSA-N 1 0 481.567 2.650 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[N@@H+]2CCCO)CCN1C(=O)OC(C)(C)C ZINC001291230729 1063484794 /nfs/dbraw/zinc/48/47/94/1063484794.db2.gz HXECBTYTYONQLA-VQTJNVASSA-N 1 0 487.649 2.576 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)S1 ZINC001291231321 1063485852 /nfs/dbraw/zinc/48/58/52/1063485852.db2.gz RQDRBBZZCWWTLV-NSHGMRRFSA-N 1 0 459.664 2.557 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001295479632 1063488199 /nfs/dbraw/zinc/48/81/99/1063488199.db2.gz HHQIPMPCAPRWTM-IBGZPJMESA-N 1 0 497.635 2.622 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCOc2cccc(F)c2)CC1 ZINC001295480058 1063489611 /nfs/dbraw/zinc/48/96/11/1063489611.db2.gz LFMKXXDYCXHHSO-UHFFFAOYSA-N 1 0 460.598 2.784 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(=O)NC(C)C)CC1 ZINC001295481297 1063492460 /nfs/dbraw/zinc/49/24/60/1063492460.db2.gz UFTLWJOGINTJJH-KDURUIRLSA-N 1 0 491.681 2.884 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccccc2OC)CC1 ZINC001295481308 1063492755 /nfs/dbraw/zinc/49/27/55/1063492755.db2.gz UUNHVGVCKOOBJS-UHFFFAOYSA-N 1 0 456.635 2.817 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccncc2Cl)CC1 ZINC001295481807 1063493568 /nfs/dbraw/zinc/49/35/68/1063493568.db2.gz AJUSOQSNFIRKGD-UHFFFAOYSA-N 1 0 471.993 2.934 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@](C)(O)c2cccc(Cl)c2)CC1 ZINC001295481747 1063493642 /nfs/dbraw/zinc/49/36/42/1063493642.db2.gz XEPXMQLIFDLIHZ-XMMPIXPASA-N 1 0 477.053 2.953 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001291233359 1063493915 /nfs/dbraw/zinc/49/39/15/1063493915.db2.gz BLTSNOWNQCBPSR-NVXWUHKLSA-N 1 0 456.513 2.665 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(O)cc2)CC1 ZINC001295481995 1063495596 /nfs/dbraw/zinc/49/55/96/1063495596.db2.gz DCULJIBEDVOFNV-UHFFFAOYSA-N 1 0 452.559 2.591 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@](C)(O)CC)CC1 ZINC001295482187 1063496724 /nfs/dbraw/zinc/49/67/24/1063496724.db2.gz FUZAJOMVLRYSIK-AREMUKBSSA-N 1 0 479.629 2.645 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291234770 1063496763 /nfs/dbraw/zinc/49/67/63/1063496763.db2.gz BSZVELMETUQBJH-PKOBYXMFSA-N 1 0 472.638 2.902 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291234767 1063496796 /nfs/dbraw/zinc/49/67/96/1063496796.db2.gz BSZVELMETUQBJH-HKUYNNGSSA-N 1 0 472.638 2.902 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCCc2ccccc2)CC1 ZINC001295482241 1063497976 /nfs/dbraw/zinc/49/79/76/1063497976.db2.gz GQHCNHSNMKOUDB-UHFFFAOYSA-N 1 0 461.614 2.963 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CC1 ZINC001295482335 1063499739 /nfs/dbraw/zinc/49/97/39/1063499739.db2.gz KMEGQKLJALIWOK-UHFFFAOYSA-N 1 0 469.540 2.657 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001295482406 1063501164 /nfs/dbraw/zinc/50/11/64/1063501164.db2.gz NBJFCOGRFZNINU-URXFXBBRSA-N 1 0 483.661 2.782 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCOC2)CC1 ZINC001295482532 1063502190 /nfs/dbraw/zinc/50/21/90/1063502190.db2.gz RYBLZJOWPPNZCM-OAQYLSRUSA-N 1 0 454.619 2.671 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001295482558 1063502386 /nfs/dbraw/zinc/50/23/86/1063502386.db2.gz SXZPWKCSEYPCMO-QFIPXVFZSA-N 1 0 484.645 2.759 20 0 JFADRO CC(C)[N@H+](C)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS[C@H](C)C1 ZINC001291238141 1063505835 /nfs/dbraw/zinc/50/58/35/1063505835.db2.gz KHVWJKKRYOQAKL-MRXNPFEDSA-N 1 0 451.666 2.520 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2csc(C)c2)CC1 ZINC001295483015 1063506199 /nfs/dbraw/zinc/50/61/99/1063506199.db2.gz ARGJICPSKBPBRC-FQEVSTJZSA-N 1 0 460.648 2.928 20 0 JFADRO C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001291238246 1063506221 /nfs/dbraw/zinc/50/62/21/1063506221.db2.gz MQQSALVYHYJHFP-HKUYNNGSSA-N 1 0 456.595 2.570 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001295483050 1063506231 /nfs/dbraw/zinc/50/62/31/1063506231.db2.gz AXDNZLREUOACGA-RTBURBONSA-N 1 0 468.593 2.598 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+]2CCCC2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291238247 1063506364 /nfs/dbraw/zinc/50/63/64/1063506364.db2.gz MQQSALVYHYJHFP-IEBWSBKVSA-N 1 0 456.595 2.570 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C[NH+](C)C)CC(C)(C)O1 ZINC001291238395 1063506631 /nfs/dbraw/zinc/50/66/31/1063506631.db2.gz PSOQDOVEXZTKLA-QGZVFWFLSA-N 1 0 467.618 2.784 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccnc2)C(C)C)CC1 ZINC001295483565 1063507852 /nfs/dbraw/zinc/50/78/52/1063507852.db2.gz GWLVOKFIWKGPMQ-PKTZIBPZSA-N 1 0 483.661 2.607 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001295483576 1063508403 /nfs/dbraw/zinc/50/84/03/1063508403.db2.gz HJECACIACFLCSZ-HOFKKMOUSA-N 1 0 498.672 2.808 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001295483787 1063508476 /nfs/dbraw/zinc/50/84/76/1063508476.db2.gz HVGVQCDMSCWGGR-UHFFFAOYSA-N 1 0 495.672 2.585 20 0 JFADRO C[C@H]1CN(c2nnc(C3CC3)n2CC2CC[NH+](CCN(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001291239925 1063509323 /nfs/dbraw/zinc/50/93/23/1063509323.db2.gz RYEUPDRZXYSVTG-IBGZPJMESA-N 1 0 475.682 2.875 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)CCN1C(=O)OC(C)(C)C ZINC001291240821 1063510343 /nfs/dbraw/zinc/51/03/43/1063510343.db2.gz GMKJIFGUVFEKDJ-RTBURBONSA-N 1 0 475.638 2.551 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)c2c(C)noc2C)CC1 ZINC001295484393 1063510756 /nfs/dbraw/zinc/51/07/56/1063510756.db2.gz NCFIAOWIADGTMR-GHTZIAJQSA-N 1 0 487.649 2.919 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001295484506 1063511304 /nfs/dbraw/zinc/51/13/04/1063511304.db2.gz OPQXASUFUFARQC-FUDKSRODSA-N 1 0 476.666 2.571 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OC)c2)CC1 ZINC001295484501 1063511368 /nfs/dbraw/zinc/51/13/68/1063511368.db2.gz OOAPUUHBWHFQJI-UHFFFAOYSA-N 1 0 454.619 2.983 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1)C(C)C ZINC001291241317 1063511800 /nfs/dbraw/zinc/51/18/00/1063511800.db2.gz MKGVRVHOBPASKR-MTXNFPGFSA-N 1 0 462.639 2.511 20 0 JFADRO CC(C)[NH+](CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@@H]2C)C1)C(C)C ZINC001291241315 1063511937 /nfs/dbraw/zinc/51/19/37/1063511937.db2.gz MKGVRVHOBPASKR-FDGPYGQJSA-N 1 0 462.639 2.511 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 ZINC001295484747 1063513162 /nfs/dbraw/zinc/51/31/62/1063513162.db2.gz RAAQKNUQWRLTFX-DVECYGJZSA-N 1 0 457.623 2.611 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCN1CC(F)(F)F ZINC001291241792 1063513755 /nfs/dbraw/zinc/51/37/55/1063513755.db2.gz SPDDECAXAMUECV-QRQLOZEOSA-N 1 0 479.551 2.605 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H](C)S1 ZINC001291241803 1063513840 /nfs/dbraw/zinc/51/38/40/1063513840.db2.gz SRVNMLNYNDZYIA-MBOZVWFJSA-N 1 0 458.632 2.548 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2sccc2C)CC1 ZINC001295485440 1063514512 /nfs/dbraw/zinc/51/45/12/1063514512.db2.gz WSPGBANWNIPEQR-LJQANCHMSA-N 1 0 460.648 2.581 20 0 JFADRO CC[NH+](CC)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001295487349 1063516206 /nfs/dbraw/zinc/51/62/06/1063516206.db2.gz KCJGUXDWQLLOOM-NRFANRHFSA-N 1 0 495.594 2.838 20 0 JFADRO C[C@@H]1CN(c2nnc(C3CCC3)n2CC2CC[NH+](CCN(C)C)CC2)CCN1CC(F)(F)F ZINC001291242371 1063516295 /nfs/dbraw/zinc/51/62/95/1063516295.db2.gz ALQLESXLSCZSHX-GOSISDBHSA-N 1 0 471.616 2.892 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccccc2Cl)CC1 ZINC001295490622 1063517147 /nfs/dbraw/zinc/51/71/47/1063517147.db2.gz BJGQMANPUUTKGZ-UHFFFAOYSA-N 1 0 482.032 2.956 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)OC)CC1 ZINC001295490659 1063517813 /nfs/dbraw/zinc/51/78/13/1063517813.db2.gz CWZONRNWXCZNER-UHFFFAOYSA-N 1 0 456.635 2.593 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)SC)CC1 ZINC001295490664 1063517920 /nfs/dbraw/zinc/51/79/20/1063517920.db2.gz CYOIZJVSOSCDIG-SFHVURJKSA-N 1 0 462.639 2.750 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CCc3ccccc3)n2Cc2cnc(C)s2)CC1 ZINC001295490889 1063518531 /nfs/dbraw/zinc/51/85/31/1063518531.db2.gz IJFCXARMSDNSBT-UHFFFAOYSA-N 1 0 481.670 2.867 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCCC2)CC1 ZINC001295490902 1063519269 /nfs/dbraw/zinc/51/92/69/1063519269.db2.gz IOZUKYUBUHBDPN-UHFFFAOYSA-N 1 0 499.685 2.760 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(F)cn2)CC1 ZINC001295490942 1063520039 /nfs/dbraw/zinc/52/00/39/1063520039.db2.gz KCXBVXIAXVZKGY-UHFFFAOYSA-N 1 0 495.603 2.738 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2csc(C)c2)CC1 ZINC001295491565 1063522920 /nfs/dbraw/zinc/52/29/20/1063522920.db2.gz URNSZAZIHYYJPW-UHFFFAOYSA-N 1 0 467.643 2.673 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001295491578 1063523070 /nfs/dbraw/zinc/52/30/70/1063523070.db2.gz VEWOWFIVAUGPEX-DHIUTWEWSA-N 1 0 498.672 2.971 20 0 JFADRO C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291249359 1063525949 /nfs/dbraw/zinc/52/59/49/1063525949.db2.gz DIFYPJGFEWCVAJ-RBUKOAKNSA-N 1 0 467.680 2.696 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)cc1 ZINC001295492650 1063526370 /nfs/dbraw/zinc/52/63/70/1063526370.db2.gz DHQZUQDFONVKKY-HHHXNRCGSA-N 1 0 492.672 2.992 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)cc1 ZINC001295493391 1063527317 /nfs/dbraw/zinc/52/73/17/1063527317.db2.gz OOKCJQPVHIMOMN-UHFFFAOYSA-N 1 0 469.678 2.676 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CC(N)=O)C2)cc1 ZINC001295494235 1063528798 /nfs/dbraw/zinc/52/87/98/1063528798.db2.gz MMQFSMJUFLWXLZ-VXKWHMMOSA-N 1 0 454.619 2.764 20 0 JFADRO CC[NH+](CC)Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C(C)C)C2)cc1 ZINC001295494177 1063528838 /nfs/dbraw/zinc/52/88/38/1063528838.db2.gz LQSCUIRTHHSXDZ-PKTZIBPZSA-N 1 0 489.686 2.932 20 0 JFADRO CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCCc2cccc(F)c2)CC1 ZINC001295494987 1063530537 /nfs/dbraw/zinc/53/05/37/1063530537.db2.gz WUUUAHKQLHLLSY-JOCHJYFZSA-N 1 0 472.609 2.892 20 0 JFADRO C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC[N@H+](C)CCCNC(=O)OC(C)(C)C)CCS1 ZINC001291251489 1063532306 /nfs/dbraw/zinc/53/23/06/1063532306.db2.gz IIDXSRQJOJDUJW-MOPGFXCFSA-N 1 0 482.695 2.960 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](C)O[C@H](C)C2)c1 ZINC001295499589 1063532885 /nfs/dbraw/zinc/53/28/85/1063532885.db2.gz BTBAZMJHQHVQNM-WOJBJXKFSA-N 1 0 454.619 2.904 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COC)C1 ZINC001295500395 1063533813 /nfs/dbraw/zinc/53/38/13/1063533813.db2.gz LWHUMLNGFUJKRL-HXUWFJFHSA-N 1 0 454.619 2.877 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCS(=O)CC2)c1 ZINC001295500444 1063533890 /nfs/dbraw/zinc/53/38/90/1063533890.db2.gz NCAADJDOSZXVQF-UHFFFAOYSA-N 1 0 469.659 2.599 20 0 JFADRO CC[NH+](CC)Cc1cccc(Cn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001295500648 1063534333 /nfs/dbraw/zinc/53/43/33/1063534333.db2.gz QBIMPMASTKPIJX-IDISGSTGSA-N 1 0 498.672 2.876 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C ZINC001295503074 1063538151 /nfs/dbraw/zinc/53/81/51/1063538151.db2.gz JNCRBYRAKXJXSX-UHFFFAOYSA-N 1 0 462.664 2.547 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001295503986 1063539386 /nfs/dbraw/zinc/53/93/86/1063539386.db2.gz PSOVUNZRDSXTPQ-FQEVSTJZSA-N 1 0 491.681 2.939 20 0 JFADRO CC[NH+](CC)Cc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001295504126 1063540051 /nfs/dbraw/zinc/54/00/51/1063540051.db2.gz RMCSYNBPUFBPOU-RUZDIDTESA-N 1 0 464.618 2.531 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(Cl)cc2)C1 ZINC001295505253 1063541324 /nfs/dbraw/zinc/54/13/24/1063541324.db2.gz ZVHNFYUXMUJONR-WMZOPIPTSA-N 1 0 469.055 2.758 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nnn(C)n2)C1 ZINC001295505376 1063541356 /nfs/dbraw/zinc/54/13/56/1063541356.db2.gz CYCSBMMZJGVFOW-GOSISDBHSA-N 1 0 451.623 2.983 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnn(C)c2C)C1 ZINC001295505444 1063541657 /nfs/dbraw/zinc/54/16/57/1063541657.db2.gz DTZULTSTNXVKRJ-IBGZPJMESA-N 1 0 485.658 2.607 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 ZINC001295505557 1063541720 /nfs/dbraw/zinc/54/17/20/1063541720.db2.gz FAPKMGIVRJQJGP-MRXNPFEDSA-N 1 0 476.427 2.886 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCn2ccnn2)C1 ZINC001295505556 1063541795 /nfs/dbraw/zinc/54/17/95/1063541795.db2.gz FAPKMGIVRJQJGP-INIZCTEOSA-N 1 0 476.427 2.886 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnn(C)c2)C1 ZINC001295509340 1063544117 /nfs/dbraw/zinc/54/41/17/1063544117.db2.gz UZUMTVARCZHIMB-OAHLLOKOSA-N 1 0 461.412 2.986 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001295509846 1063544917 /nfs/dbraw/zinc/54/49/17/1063544917.db2.gz WNVGPPOFAFLGJE-OALUTQOASA-N 1 0 461.632 2.557 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCCC(C)(C)C2)CC(C)(C)C1 ZINC001291256529 1063549116 /nfs/dbraw/zinc/54/91/16/1063549116.db2.gz WGUDHCRPBNNONR-UXHICEINSA-N 1 0 496.722 2.605 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCO[C@@H]2CCCC[C@H]2C)C1 ZINC001295516027 1063549993 /nfs/dbraw/zinc/54/99/93/1063549993.db2.gz DZNXBCARLSDMBQ-CIAFKFPVSA-N 1 0 481.707 2.944 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)c(F)c2)C1 ZINC001295516047 1063550390 /nfs/dbraw/zinc/55/03/90/1063550390.db2.gz FLGNOMGBCUWWGJ-MSOLQXFVSA-N 1 0 467.586 2.675 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCn2cc(Br)cn2)C1 ZINC001295516202 1063551959 /nfs/dbraw/zinc/55/19/59/1063551959.db2.gz GKUSIFBEGVHAMM-IAGOWNOFSA-N 1 0 466.428 2.609 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 ZINC001295516414 1063553076 /nfs/dbraw/zinc/55/30/76/1063553076.db2.gz ICMJQMIVNJFEQT-WOJBJXKFSA-N 1 0 463.623 2.611 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)C1 ZINC001295517090 1063553435 /nfs/dbraw/zinc/55/34/35/1063553435.db2.gz LCMJSTYELGXANO-HXUWFJFHSA-N 1 0 476.691 2.991 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)C1 ZINC001295518582 1063555021 /nfs/dbraw/zinc/55/50/21/1063555021.db2.gz ORKBFOOQQUCKFS-NRFANRHFSA-N 1 0 455.651 2.543 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc([C@H](C)OC)n2)C1 ZINC001295518655 1063555436 /nfs/dbraw/zinc/55/54/36/1063555436.db2.gz QNWPJGDRQTWAQO-BQFCYCMXSA-N 1 0 461.636 2.610 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2cccc(C)c2)C1 ZINC001295520720 1063556223 /nfs/dbraw/zinc/55/62/23/1063556223.db2.gz UMOAECKWFLKPHD-FQEVSTJZSA-N 1 0 464.618 2.585 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCN(C(C)=O)CC2)C1 ZINC001295520699 1063556897 /nfs/dbraw/zinc/55/68/97/1063556897.db2.gz UVJMPVJYUJTPAB-DEOSSOPVSA-N 1 0 481.689 2.510 20 0 JFADRO CCN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1)C(=O)OC(C)(C)C ZINC001295520830 1063557580 /nfs/dbraw/zinc/55/75/80/1063557580.db2.gz VWFKYPWTLGCTFU-OALUTQOASA-N 1 0 477.654 2.654 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncn(C)n2)C1 ZINC001295521318 1063558075 /nfs/dbraw/zinc/55/80/75/1063558075.db2.gz BJJYCVVDVOXCKJ-FQEVSTJZSA-N 1 0 452.607 2.819 20 0 JFADRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OC)C1 ZINC001295521829 1063559169 /nfs/dbraw/zinc/55/91/69/1063559169.db2.gz GYRGGELYNRPEPM-FQEVSTJZSA-N 1 0 452.607 2.760 20 0 JFADRO CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)cc(OC)c2)C1 ZINC001295523650 1063560427 /nfs/dbraw/zinc/56/04/27/1063560427.db2.gz YCHITBSNQRHSDD-GOSISDBHSA-N 1 0 458.582 2.765 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C(=O)NC)CC1 ZINC001295524058 1063561649 /nfs/dbraw/zinc/56/16/49/1063561649.db2.gz CZDVDHCIMLBQLJ-UHFFFAOYSA-N 1 0 480.455 2.740 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1 ZINC001295524070 1063561731 /nfs/dbraw/zinc/56/17/31/1063561731.db2.gz DGIZDTGMQPGOQQ-LJQANCHMSA-N 1 0 453.547 2.828 20 0 JFADRO CCN(c1nnc(-c2cc(Br)c[nH]2)n1CCC[NH+](CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC001295524260 1063561761 /nfs/dbraw/zinc/56/17/61/1063561761.db2.gz GMQXKISMOQFBHD-INIZCTEOSA-N 1 0 487.468 2.781 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(=O)OC)CC1 ZINC001295524418 1063562102 /nfs/dbraw/zinc/56/21/02/1063562102.db2.gz KDAFWXZFRGSBMU-UHFFFAOYSA-N 1 0 466.590 2.956 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001295524739 1063562676 /nfs/dbraw/zinc/56/26/76/1063562676.db2.gz OJCOSHSJBZZFIW-XMMPIXPASA-N 1 0 455.607 2.581 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCSC2(CCOCC2)C1 ZINC001295524462 1063562736 /nfs/dbraw/zinc/56/27/36/1063562736.db2.gz LSPLQVOUOCTBFG-UHFFFAOYSA-N 1 0 473.647 2.760 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001295524740 1063562763 /nfs/dbraw/zinc/56/27/63/1063562763.db2.gz OJIFEFZTIKEAPX-FQEVSTJZSA-N 1 0 480.411 2.799 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295525445 1063564090 /nfs/dbraw/zinc/56/40/90/1063564090.db2.gz WREJWCHHWILNEQ-DEOSSOPVSA-N 1 0 491.036 2.589 20 0 JFADRO CC[NH+](CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001295525454 1063564201 /nfs/dbraw/zinc/56/42/01/1063564201.db2.gz XAYIXTFURHFZSL-UHFFFAOYSA-N 1 0 495.607 2.908 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCn2nc(C)nc2C1 ZINC001295528001 1063565809 /nfs/dbraw/zinc/56/58/09/1063565809.db2.gz NIPAVJWEOXDUQY-UHFFFAOYSA-N 1 0 454.579 2.614 20 0 JFADRO C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCCCS(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC001291265357 1063566168 /nfs/dbraw/zinc/56/61/68/1063566168.db2.gz SFYINNFEYIIZTG-HXUWFJFHSA-N 1 0 474.675 2.789 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCC[NH+]2CCC(O)CC2)CCN1C(=O)OC(C)(C)C ZINC001291265931 1063567680 /nfs/dbraw/zinc/56/76/80/1063567680.db2.gz DUPFKQYPKHYAJZ-HXUWFJFHSA-N 1 0 499.660 2.556 20 0 JFADRO C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCC2)CCN1CC(F)(F)F ZINC001291266204 1063568137 /nfs/dbraw/zinc/56/81/37/1063568137.db2.gz JCPOQULRFQWCIP-QGZVFWFLSA-N 1 0 451.541 2.821 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001295532066 1063568751 /nfs/dbraw/zinc/56/87/51/1063568751.db2.gz ARPVFFSMUFBNJA-UHFFFAOYSA-N 1 0 453.570 2.718 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001295532931 1063569658 /nfs/dbraw/zinc/56/96/58/1063569658.db2.gz NOURDRMRPNJKKU-UHFFFAOYSA-N 1 0 469.556 2.910 20 0 JFADRO CC[NH+](CC)CCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001295535085 1063572010 /nfs/dbraw/zinc/57/20/10/1063572010.db2.gz SSCFTYJNDNNGCA-NQIIRXRSSA-N 1 0 467.618 2.785 20 0 JFADRO CC[NH+](CC)CCCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001295543570 1063578468 /nfs/dbraw/zinc/57/84/68/1063578468.db2.gz JYJVBPUGQGCKIA-UHFFFAOYSA-N 1 0 474.675 2.562 20 0 JFADRO CC[NH+](CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@@H]1C ZINC001295544523 1063578853 /nfs/dbraw/zinc/57/88/53/1063578853.db2.gz MAGDBZMFDTYGMQ-PXNSSMCTSA-N 1 0 458.582 2.850 20 0 JFADRO C[C@@H]1CN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CC(=O)N(C)C)CC(C)(C)C1 ZINC001291274482 1063579843 /nfs/dbraw/zinc/57/98/43/1063579843.db2.gz AYZCQSUAJYKQMD-NRFANRHFSA-N 1 0 467.662 2.603 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC001295550048 1063582334 /nfs/dbraw/zinc/58/23/34/1063582334.db2.gz AVOUNEAPNGIUNY-LJQANCHMSA-N 1 0 474.625 2.860 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1COc2ccccc2O1 ZINC001295550385 1063582804 /nfs/dbraw/zinc/58/28/04/1063582804.db2.gz DYLBGIUDSKCUQH-MOPGFXCFSA-N 1 0 456.591 2.521 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 ZINC001295550386 1063583239 /nfs/dbraw/zinc/58/32/39/1063583239.db2.gz DYLBGIUDSKCUQH-RTBURBONSA-N 1 0 456.591 2.521 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@H](C(F)(F)F)O1 ZINC001291275576 1063583860 /nfs/dbraw/zinc/58/38/60/1063583860.db2.gz VESMDYSMDWNDHM-IAGOWNOFSA-N 1 0 472.556 2.821 20 0 JFADRO C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001291275766 1063584362 /nfs/dbraw/zinc/58/43/62/1063584362.db2.gz YVOGMUOZLLWWMZ-GMAHTHKFSA-N 1 0 468.646 2.621 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001295553099 1063585949 /nfs/dbraw/zinc/58/59/49/1063585949.db2.gz FJHPMLZHJFIPTD-WBVHZDCISA-N 1 0 470.039 2.961 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001295553386 1063586436 /nfs/dbraw/zinc/58/64/36/1063586436.db2.gz FIMFKTRZDCMADX-KOSHJBKYSA-N 1 0 459.591 2.688 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001295553787 1063587021 /nfs/dbraw/zinc/58/70/21/1063587021.db2.gz LVRAZVKZTQBMOL-ZBFHGGJFSA-N 1 0 499.479 2.841 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001295553959 1063587097 /nfs/dbraw/zinc/58/70/97/1063587097.db2.gz NSUBAGQUFJRWTF-UYAOXDASSA-N 1 0 470.618 2.894 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+](C)Cc2ccccc2)C[C@H](C(F)(F)F)O1 ZINC001291276866 1063588180 /nfs/dbraw/zinc/58/81/80/1063588180.db2.gz TWQBXCMQHKOWDV-IEBWSBKVSA-N 1 0 480.535 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(=O)COC)CC1 ZINC001295554277 1063588356 /nfs/dbraw/zinc/58/83/56/1063588356.db2.gz UAEHCMWZPCVGIE-QGZVFWFLSA-N 1 0 479.025 2.632 20 0 JFADRO CC(C)[N@H+](C)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C)C1 ZINC001291276922 1063588579 /nfs/dbraw/zinc/58/85/79/1063588579.db2.gz UWKNWQQTRLSXGK-PMACEKPBSA-N 1 0 454.619 2.903 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)NC)CC1 ZINC001295554460 1063588831 /nfs/dbraw/zinc/58/88/31/1063588831.db2.gz BTRBSPSBALAQBX-MRXNPFEDSA-N 1 0 478.439 2.899 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 ZINC001295555130 1063589299 /nfs/dbraw/zinc/58/92/99/1063589299.db2.gz RPQDZAWOUDZMFW-MSOLQXFVSA-N 1 0 461.586 2.749 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001295559067 1063591351 /nfs/dbraw/zinc/59/13/51/1063591351.db2.gz BBPZSZWGLVZJMS-ZLNRFVROSA-N 1 0 498.720 2.831 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](OC)C1 ZINC001295559471 1063592515 /nfs/dbraw/zinc/59/25/15/1063592515.db2.gz IDCMCHJMAFIAHB-MSOLQXFVSA-N 1 0 463.652 2.584 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001295559917 1063593058 /nfs/dbraw/zinc/59/30/58/1063593058.db2.gz NIHNETRQISRUIJ-SJORKVTESA-N 1 0 467.574 2.714 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001295560402 1063593522 /nfs/dbraw/zinc/59/35/22/1063593522.db2.gz UBPPXCPGLANUQA-QAPCUYQASA-N 1 0 493.534 2.690 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC001295560776 1063594505 /nfs/dbraw/zinc/59/45/05/1063594505.db2.gz NPBABNWRTNQMCA-JOCHJYFZSA-N 1 0 498.720 2.927 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC001295561605 1063594878 /nfs/dbraw/zinc/59/48/78/1063594878.db2.gz XWCDNXNLJAVVSR-LJQANCHMSA-N 1 0 492.628 2.505 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001295562958 1063596489 /nfs/dbraw/zinc/59/64/89/1063596489.db2.gz IZVMVZINBGVJPO-ZFGGDYGUSA-N 1 0 494.706 2.668 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC001295564249 1063597309 /nfs/dbraw/zinc/59/73/09/1063597309.db2.gz SIVOQGMTNYGUEY-MMOPVJDHSA-N 1 0 497.612 2.767 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@]2(CCOC2)C1 ZINC001295564219 1063597540 /nfs/dbraw/zinc/59/75/40/1063597540.db2.gz RZWYRVBMKYTYQR-FHAGJXEFSA-N 1 0 492.665 2.934 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC001295564352 1063597895 /nfs/dbraw/zinc/59/78/95/1063597895.db2.gz AAPIOWBCGUMOOJ-FGZHOGPDSA-N 1 0 483.661 2.663 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001295565467 1063598808 /nfs/dbraw/zinc/59/88/08/1063598808.db2.gz JJKMNLCDFAMKJU-UTKZUKDTSA-N 1 0 473.622 2.945 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cncc3nc(C)nn32)CC1 ZINC001295565187 1063598834 /nfs/dbraw/zinc/59/88/34/1063598834.db2.gz YJCCDQBRATXHOE-GOSISDBHSA-N 1 0 468.654 2.670 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1N1CCOCC1 ZINC001295565871 1063599356 /nfs/dbraw/zinc/59/93/56/1063599356.db2.gz OSVLXVZCRWAFOP-IFMALSPDSA-N 1 0 456.635 2.985 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1ccccc1F ZINC001295566518 1063601112 /nfs/dbraw/zinc/60/11/12/1063601112.db2.gz UXCATLOXUHLBOI-IEBWSBKVSA-N 1 0 451.612 2.729 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001295567129 1063601765 /nfs/dbraw/zinc/60/17/65/1063601765.db2.gz XYHWDPGGJOXJTN-UYAOXDASSA-N 1 0 470.684 2.500 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001295570365 1063605853 /nfs/dbraw/zinc/60/58/53/1063605853.db2.gz OZLZMDYONUZHRU-NQIIRXRSSA-N 1 0 458.582 2.848 20 0 JFADRO CC(C)[NH+]1CCC(O)(Cn2c(COc3ccc(F)cc3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291281200 1063607025 /nfs/dbraw/zinc/60/70/25/1063607025.db2.gz RZBZZQBYSCLJAV-RTBURBONSA-N 1 0 461.582 2.845 20 0 JFADRO C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCC(=O)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC001291281719 1063609573 /nfs/dbraw/zinc/60/95/73/1063609573.db2.gz CJIVJSMZOXFYIE-GOSISDBHSA-N 1 0 458.582 2.785 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001295572719 1063610728 /nfs/dbraw/zinc/61/07/28/1063610728.db2.gz NGRCLEDQULQSEF-JOCHJYFZSA-N 1 0 481.689 2.689 20 0 JFADRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001295573141 1063611487 /nfs/dbraw/zinc/61/14/87/1063611487.db2.gz SXHNDOQUIHDSHL-WBADGQHESA-N 1 0 489.709 2.677 20 0 JFADRO CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001291285069 1063624425 /nfs/dbraw/zinc/62/44/25/1063624425.db2.gz KJPQYCFJMKUMER-DXBBTUNJSA-N 1 0 462.683 2.694 20 0 JFADRO C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001291286680 1063633746 /nfs/dbraw/zinc/63/37/46/1063633746.db2.gz NILOQZWZOLUJNA-VQTJNVASSA-N 1 0 491.681 2.601 20 0 JFADRO C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291287459 1063639540 /nfs/dbraw/zinc/63/95/40/1063639540.db2.gz BVSUHHVXYKZYQR-UFYCRDLUSA-N 1 0 488.608 2.760 20 0 JFADRO CC(C)c1nc([C@H]2CN(c3nnc(C(C)C)n3CCC[NH+]3C[C@@H](C)O[C@H](C)C3)CCO2)no1 ZINC001291287631 1063640500 /nfs/dbraw/zinc/64/05/00/1063640500.db2.gz FVVKEPVOHVKJHV-GUDVDZBRSA-N 1 0 461.611 2.985 20 0 JFADRO CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295595932 1063640751 /nfs/dbraw/zinc/64/07/51/1063640751.db2.gz VZQWKQRONJCHQD-UNMCSNQZSA-N 1 0 472.609 2.890 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CCCO1 ZINC001291287712 1063642303 /nfs/dbraw/zinc/64/23/03/1063642303.db2.gz GOUIJUYPANJXHD-VQTJNVASSA-N 1 0 485.633 2.678 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001295598917 1063642986 /nfs/dbraw/zinc/64/29/86/1063642986.db2.gz FHHGRZXDHAGWAJ-DENIHFKCSA-N 1 0 470.618 2.765 20 0 JFADRO CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001295598918 1063643094 /nfs/dbraw/zinc/64/30/94/1063643094.db2.gz FHHGRZXDHAGWAJ-KNQAVFIVSA-N 1 0 470.618 2.765 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)CCOc2ccccc2F)C[C@H](C)O1 ZINC001291287937 1063644172 /nfs/dbraw/zinc/64/41/72/1063644172.db2.gz KIJLFMKWVSMWIY-PMACEKPBSA-N 1 0 488.608 2.668 20 0 JFADRO CC(C)c1nnc(N(C)Cc2ccc(S(C)(=O)=O)cc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291287869 1063644331 /nfs/dbraw/zinc/64/43/31/1063644331.db2.gz IUPACIGJPLPEOE-LJQANCHMSA-N 1 0 463.648 2.942 20 0 JFADRO C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001291288009 1063646012 /nfs/dbraw/zinc/64/60/12/1063646012.db2.gz LTAOZGFXXIQCGZ-ZJPYXAASSA-N 1 0 484.692 2.647 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 ZINC001291288121 1063646520 /nfs/dbraw/zinc/64/65/20/1063646520.db2.gz NGMSYKCDYSTNFP-XDHUDOTRSA-N 1 0 492.571 2.749 20 0 JFADRO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(Cl)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291288878 1063653231 /nfs/dbraw/zinc/65/32/31/1063653231.db2.gz ZSKZJNYNKZOERE-QZTJIDSGSA-N 1 0 461.010 2.766 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)CCCO1 ZINC001291289531 1063656373 /nfs/dbraw/zinc/65/63/73/1063656373.db2.gz LWEPEPLMGZTULM-INIZCTEOSA-N 1 0 489.564 2.848 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC[C@H](CC(N)=O)C2)CCCO1 ZINC001291289403 1063656399 /nfs/dbraw/zinc/65/63/99/1063656399.db2.gz JAOJLLBKRFGLQF-ZWKOTPCHSA-N 1 0 476.025 2.586 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(-c3ccc(-n4cnnn4)cc3)nnc2N(C)CC(C)(C)C)C[C@@H](C)O1 ZINC001291290204 1063663964 /nfs/dbraw/zinc/66/39/64/1063663964.db2.gz WKTBTELMAHTCEW-RTBURBONSA-N 1 0 467.622 2.902 20 0 JFADRO C[C@@H]1CN(CCN(C)c2nnc(-c3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063663986 /nfs/dbraw/zinc/66/39/86/1063663986.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 1 0 470.662 2.990 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)C[C@H](C)O1 ZINC001291290511 1063665084 /nfs/dbraw/zinc/66/50/84/1063665084.db2.gz ATFJDYCMYUWJGA-HYFFOGBASA-N 1 0 499.582 2.708 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(OC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291290842 1063665543 /nfs/dbraw/zinc/66/55/43/1063665543.db2.gz GSOOVTAMQHRHPV-QWFCFKBJSA-N 1 0 462.639 2.512 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)CCN2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001291291103 1063666779 /nfs/dbraw/zinc/66/67/79/1063666779.db2.gz KFGCGKBIOYZYDQ-VSKRKVRLSA-N 1 0 478.682 2.566 20 0 JFADRO CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291291260 1063667492 /nfs/dbraw/zinc/66/74/92/1063667492.db2.gz MHZGZFRMHXJYOX-GSPCLOLRSA-N 1 0 490.693 2.660 20 0 JFADRO C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001291291177 1063667546 /nfs/dbraw/zinc/66/75/46/1063667546.db2.gz LFUSKYUVAZTMNH-WRTQPQOASA-N 1 0 492.665 2.631 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(-c3cnccn3)nnc2N(C)CCOc2ccccc2)C[C@H](C)O1 ZINC001291291302 1063668370 /nfs/dbraw/zinc/66/83/70/1063668370.db2.gz MXIHISXVALFSRO-BGYRXZFFSA-N 1 0 451.575 2.750 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC001291291289 1063668407 /nfs/dbraw/zinc/66/84/07/1063668407.db2.gz MULDXGANHFDGOR-NCYKPQTJSA-N 1 0 492.665 2.775 20 0 JFADRO C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001291291307 1063669092 /nfs/dbraw/zinc/66/90/92/1063669092.db2.gz MYNOGDXEEIMSQQ-WCXIOVBPSA-N 1 0 453.513 2.869 20 0 JFADRO C[C@H]1C[N@H+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCCO1 ZINC001291291755 1063671004 /nfs/dbraw/zinc/67/10/04/1063671004.db2.gz UFRRBFIYCAFKNQ-PCCBWWKXSA-N 1 0 492.665 2.776 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ncnn2CC(F)F)C[C@@H](C)O1 ZINC001291291842 1063671864 /nfs/dbraw/zinc/67/18/64/1063671864.db2.gz VLKFFRMBRPTJBJ-KURKYZTESA-N 1 0 482.580 2.512 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)Cc2ncc(Cl)n2C)C[C@H](C)O1 ZINC001291292432 1063675776 /nfs/dbraw/zinc/67/57/76/1063675776.db2.gz DHMGHCAMTIMBCL-ROUUACIJSA-N 1 0 473.025 2.787 20 0 JFADRO CCN(Cc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001295630951 1063676074 /nfs/dbraw/zinc/67/60/74/1063676074.db2.gz NWPJREHYHRAVNZ-QHCPKHFHSA-N 1 0 472.590 2.502 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(CCc3ccccc3)nnc2N2CCC(CC(N)=O)CC2)C[C@H](C)O1 ZINC001291292677 1063677486 /nfs/dbraw/zinc/67/74/86/1063677486.db2.gz HRTAWPSUFIPAQQ-SFTDATJTSA-N 1 0 468.646 2.654 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c(CN3CCCC3=O)nnc2N(C)Cc2cc(Cl)ccn2)C[C@H](C)O1 ZINC001291292769 1063678336 /nfs/dbraw/zinc/67/83/36/1063678336.db2.gz JHPZSGIRLJOVJH-HDICACEKSA-N 1 0 476.025 2.585 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(Cc3ccccn3)nnc2N(C)CC2COC(C)(C)OC2)C[C@H](C)O1 ZINC001291292884 1063679168 /nfs/dbraw/zinc/67/91/68/1063679168.db2.gz LBFSGKNJWIZSHI-PMACEKPBSA-N 1 0 472.634 2.599 20 0 JFADRO C[C@@H]1C[NH+](CCCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2ccco2)C[C@@H](C)O1 ZINC001291292980 1063680258 /nfs/dbraw/zinc/68/02/58/1063680258.db2.gz MOWZLNSDLNDNSI-QZTJIDSGSA-N 1 0 472.615 2.998 20 0 JFADRO CCN(Cc1cccs1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001295642763 1063685233 /nfs/dbraw/zinc/68/52/33/1063685233.db2.gz UPVXXUGALSJVGI-AZUAARDMSA-N 1 0 496.703 2.573 20 0 JFADRO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001291293553 1063685313 /nfs/dbraw/zinc/68/53/13/1063685313.db2.gz WHJKBJDOGZIWHR-BRSBDYLESA-N 1 0 472.556 2.534 20 0 JFADRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2ccc(F)cc2Br)n1CCOCCCO ZINC001291294021 1063686851 /nfs/dbraw/zinc/68/68/51/1063686851.db2.gz CYICPONJVSVACI-RDJZCZTQSA-N 1 0 482.398 2.919 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(N3CCC(C(=O)N4CCCC4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001291294204 1063688512 /nfs/dbraw/zinc/68/85/12/1063688512.db2.gz GJDUSMKLWJDZDF-PMACEKPBSA-N 1 0 460.667 2.914 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001295646873 1063689150 /nfs/dbraw/zinc/68/91/50/1063689150.db2.gz OJIWOAVZHAGVIU-UHFFFAOYSA-N 1 0 465.606 2.950 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001291294433 1063689666 /nfs/dbraw/zinc/68/96/66/1063689666.db2.gz JILMHBUNBSCLLL-QUCCMNQESA-N 1 0 489.665 2.544 20 0 JFADRO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001291294610 1063690578 /nfs/dbraw/zinc/69/05/78/1063690578.db2.gz MSXHAWNQEVEYMK-AIDNLNPPSA-N 1 0 490.693 2.788 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(-c2cccc(Br)c2)n1CCOCCCO ZINC001291294716 1063691383 /nfs/dbraw/zinc/69/13/83/1063691383.db2.gz OICQNXKVIGSUCR-APWZRJJASA-N 1 0 464.408 2.780 20 0 JFADRO C[C@H]1C[NH+](CCCn2c(COc3ccc(F)cc3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001291294885 1063692668 /nfs/dbraw/zinc/69/26/68/1063692668.db2.gz QVYNLCHAFMBKRL-OALUTQOASA-N 1 0 496.578 2.883 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nnc(-c2ccccc2Br)n1CCOCCCO ZINC001291295466 1063695795 /nfs/dbraw/zinc/69/57/95/1063695795.db2.gz ZJMPDYFRZQONED-IAGOWNOFSA-N 1 0 464.408 2.780 20 0 JFADRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)C(C)(C)C ZINC001291295523 1063696463 /nfs/dbraw/zinc/69/64/63/1063696463.db2.gz ACPJNHIPJZMYRN-XLIONFOSSA-N 1 0 463.623 2.894 20 0 JFADRO CCN(Cc1cnn(C)c1)c1nnc(Cc2cccnc2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001295663017 1063705309 /nfs/dbraw/zinc/70/53/09/1063705309.db2.gz MEHMSEZDWYTVMA-HXUWFJFHSA-N 1 0 452.607 2.525 20 0 JFADRO C[C@@H]1COCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001291300685 1063706448 /nfs/dbraw/zinc/70/64/48/1063706448.db2.gz QWGLEHVBOAZTBM-APWZRJJASA-N 1 0 453.522 2.593 20 0 JFADRO C[C@H]1COCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001291300686 1063706492 /nfs/dbraw/zinc/70/64/92/1063706492.db2.gz QWGLEHVBOAZTBM-LPHOPBHVSA-N 1 0 453.522 2.593 20 0 JFADRO C[C@@H]1COCCN1c1nnc(-c2cc(Br)cn2C)n1CCCC[N@@H+]1CCC[C@H]1CO ZINC001291301853 1063710220 /nfs/dbraw/zinc/71/02/20/1063710220.db2.gz LXHVMMCDHZUNPD-AEFFLSMTSA-N 1 0 481.439 2.508 20 0 JFADRO C[C@H]1COCCN1c1nnc(-c2cccc(OC(F)F)c2)n1CCCC[NH+]1CCOCC1 ZINC001291302061 1063711267 /nfs/dbraw/zinc/71/12/67/1063711267.db2.gz PJXLSVJQPYUWOS-KRWDZBQOSA-N 1 0 451.518 2.884 20 0 JFADRO C[C@@H]1COCCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC[NH+]1CCSCC1 ZINC001291304688 1063714840 /nfs/dbraw/zinc/71/48/40/1063714840.db2.gz PQEOZXDPARJCGQ-RTBURBONSA-N 1 0 480.679 2.667 20 0 JFADRO C[C@@H]1COCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001291306338 1063717488 /nfs/dbraw/zinc/71/74/88/1063717488.db2.gz XCKSCGNWUQREAP-HXUWFJFHSA-N 1 0 450.587 2.868 20 0 JFADRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC001295696240 1063724041 /nfs/dbraw/zinc/72/40/41/1063724041.db2.gz PHKXDVCIRRZISW-UHFFFAOYSA-N 1 0 457.021 2.840 20 0 JFADRO C[C@H]1COCCN1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(C)(C)C ZINC001291309908 1063737226 /nfs/dbraw/zinc/73/72/26/1063737226.db2.gz OUBNDPHSJQBJHQ-QHCPKHFHSA-N 1 0 483.705 2.846 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C)n2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001295741436 1063749680 /nfs/dbraw/zinc/74/96/80/1063749680.db2.gz XVXVCCYLXRDOOT-IRLDBZIGSA-N 1 0 469.634 2.597 20 0 JFADRO C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2([NH+](C)C)CCC2)CCOC1(C)C ZINC001291316234 1063750451 /nfs/dbraw/zinc/75/04/51/1063750451.db2.gz PKDSYCWJESTYOB-QGZVFWFLSA-N 1 0 461.632 2.837 20 0 JFADRO CCN(C[C@H]1CCCO1)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295748490 1063753364 /nfs/dbraw/zinc/75/33/64/1063753364.db2.gz KWWSBKJPEROJTL-PPGORRQASA-N 1 0 479.666 2.895 20 0 JFADRO C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1(C)C ZINC001291318161 1063754419 /nfs/dbraw/zinc/75/44/19/1063754419.db2.gz DFEQXKIZTNHNNW-DFQSSKMNSA-N 1 0 467.680 2.694 20 0 JFADRO C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC[NH+]2CCCCC2)CCOC1(C)C ZINC001291319433 1063757319 /nfs/dbraw/zinc/75/73/19/1063757319.db2.gz ZIXCQHOVAIMGDT-VQTJNVASSA-N 1 0 467.680 2.840 20 0 JFADRO C[C@@H]1N(c2nnc(CNC(=O)c3cccs3)n2C[C@]2([NH+](C)C)CCSC2)CCOC1(C)C ZINC001291319742 1063758219 /nfs/dbraw/zinc/75/82/19/1063758219.db2.gz FFWBULRTHWQALZ-KSFYIVLOSA-N 1 0 478.688 2.711 20 0 JFADRO CCN(C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCCC2)C1)CC(F)(F)F ZINC001295759525 1063763755 /nfs/dbraw/zinc/76/37/55/1063763755.db2.gz DICKZQIURPNCGF-OALUTQOASA-N 1 0 485.599 2.816 20 0 JFADRO C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(Br)c3)n1CCOCC[NH+](C)C)CCO2 ZINC001291325186 1063774286 /nfs/dbraw/zinc/77/42/86/1063774286.db2.gz 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CN1CCO[C@@H]([C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)c2ccc(Cl)cc2)C1 ZINC001295868230 1063904652 /nfs/dbraw/zinc/90/46/52/1063904652.db2.gz YWDFFRUKENJIKJ-DNQXCXABSA-N 1 0 457.018 2.889 20 0 JFADRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001295869295 1063906992 /nfs/dbraw/zinc/90/69/92/1063906992.db2.gz LYLPHHAWJVQLPX-IPMKNSEASA-N 1 0 455.669 2.550 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1)CCC(F)(F)F ZINC001295869759 1063907470 /nfs/dbraw/zinc/90/74/70/1063907470.db2.gz QWELZIWOTAWQAO-QGZVFWFLSA-N 1 0 486.518 2.660 20 0 JFADRO CC[N@H+](CCn1c([C@H]2CCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1)CCC(F)(F)F ZINC001295870234 1063907727 /nfs/dbraw/zinc/90/77/27/1063907727.db2.gz WKTHMDAURUMNAX-QGZVFWFLSA-N 1 0 472.556 2.853 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(Br)c2)n1CC[NH+]1CCCC1 ZINC001295873318 1063910555 /nfs/dbraw/zinc/91/05/55/1063910555.db2.gz FQRAFFNGGHGCLQ-UHFFFAOYSA-N 1 0 470.437 2.674 20 0 JFADRO CC[C@](C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[C@@H](COC)C1 ZINC001291378053 1063910621 /nfs/dbraw/zinc/91/06/21/1063910621.db2.gz ZWJJRZWPVOGGEA-GJZUVCINSA-N 1 0 470.662 2.667 20 0 JFADRO CC[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291379173 1063913647 /nfs/dbraw/zinc/91/36/47/1063913647.db2.gz VCRZKUBNVIGTBE-PXDATVDWSA-N 1 0 474.625 2.762 20 0 JFADRO CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2OC)n1CC1(SC)CC[NH+](C)CC1 ZINC001295878854 1063921292 /nfs/dbraw/zinc/92/12/92/1063921292.db2.gz SOIZGOPISRZUCD-UHFFFAOYSA-N 1 0 481.688 2.652 20 0 JFADRO CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001291382380 1063923623 /nfs/dbraw/zinc/92/36/23/1063923623.db2.gz WIMHMXUUMXSUPS-CPJSRVTESA-N 1 0 456.635 2.844 20 0 JFADRO CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291382617 1063924672 /nfs/dbraw/zinc/92/46/72/1063924672.db2.gz ZUNQECJPUZPQHS-SMTRIPRVSA-N 1 0 463.667 2.906 20 0 JFADRO 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CC[C@@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@@]1(OC)CCOC1 ZINC001291458725 1064025263 /nfs/dbraw/zinc/02/52/63/1064025263.db2.gz MXCBVBXIZLWYHK-NMNFXAFOSA-N 1 0 459.639 2.850 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1C[C@]1(OC)CCOC1 ZINC001291458723 1064025355 /nfs/dbraw/zinc/02/53/55/1064025355.db2.gz MXCBVBXIZLWYHK-JGUFOIBDSA-N 1 0 459.639 2.850 20 0 JFADRO CC[C@H](C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CCC(=O)NC(C)C ZINC001291458767 1064025374 /nfs/dbraw/zinc/02/53/74/1064025374.db2.gz NLBFATHYFONZRH-CNNODRBYSA-N 1 0 458.655 2.959 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCNS(C)(=O)=O)C[C@H]1C ZINC001295978027 1064025496 /nfs/dbraw/zinc/02/54/96/1064025496.db2.gz JMCMGLMSAQACCB-SVFBPWRDSA-N 1 0 492.690 2.893 20 0 JFADRO CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001291462117 1064026625 /nfs/dbraw/zinc/02/66/25/1064026625.db2.gz ZSQXRRMXNODUKK-ROUUACIJSA-N 1 0 455.669 2.694 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC2CC2)C[C@@H]1C ZINC001295978831 1064027002 /nfs/dbraw/zinc/02/70/02/1064027002.db2.gz TVPRRBAXDFDIOY-ZWKOTPCHSA-N 1 0 460.648 2.914 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C ZINC001295979132 1064027574 /nfs/dbraw/zinc/02/75/74/1064027574.db2.gz UWTSWQJDAISSLK-IRXDYDNUSA-N 1 0 470.039 2.579 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cnccc1OC ZINC001291470126 1064030150 /nfs/dbraw/zinc/03/01/50/1064030150.db2.gz LTLORUPFHLBZCT-NNMXDRDESA-N 1 0 469.634 2.622 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001295980682 1064031112 /nfs/dbraw/zinc/03/11/12/1064031112.db2.gz RAEWKSUZZYNQTC-RBUKOAKNSA-N 1 0 477.654 2.690 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)c2ccc(C)s2)C[C@H]1C ZINC001295982138 1064033755 /nfs/dbraw/zinc/03/37/55/1064033755.db2.gz WKBPQGSGTJRQHI-CVEARBPZSA-N 1 0 468.693 2.843 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H](C)O[C@]3(CCCOC3)C2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001291473563 1064034365 /nfs/dbraw/zinc/03/43/65/1064034365.db2.gz GFTMZCSMNBOJGA-SGIRGMQISA-N 1 0 462.683 2.984 20 0 JFADRO CC[C@H](C)c1nnc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001291478637 1064035629 /nfs/dbraw/zinc/03/56/29/1064035629.db2.gz WPLNPPPIOFKUQY-BJLQDIEVSA-N 1 0 473.618 2.709 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(-c3ccccc3)no2)C[C@H]1C ZINC001295982540 1064035793 /nfs/dbraw/zinc/03/57/93/1064035793.db2.gz URHFAKFQXFHAJW-FGTMMUONSA-N 1 0 487.630 2.511 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001291482425 1064037851 /nfs/dbraw/zinc/03/78/51/1064037851.db2.gz OWEJDVRZEMSQGL-RXVVDRJESA-N 1 0 499.660 2.628 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccc(C(=O)NC)c2)C[C@@H]1C ZINC001295983446 1064037906 /nfs/dbraw/zinc/03/79/06/1064037906.db2.gz WEZKMFRZUCDIRN-IZVMNLJQSA-N 1 0 498.672 2.840 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001291482644 1064038601 /nfs/dbraw/zinc/03/86/01/1064038601.db2.gz SWRJZKOSGATKRB-LJQANCHMSA-N 1 0 487.693 2.606 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cc(CO)nn2)C[C@H]1C ZINC001295984100 1064041132 /nfs/dbraw/zinc/04/11/32/1064041132.db2.gz LCOFTOFIMHDHFX-SJORKVTESA-N 1 0 458.998 2.692 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041346 /nfs/dbraw/zinc/04/13/46/1064041346.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 1 0 486.661 2.992 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001291484777 1064041883 /nfs/dbraw/zinc/04/18/83/1064041883.db2.gz FBCUVBVNKUNNKW-DWXRJYCRSA-N 1 0 486.636 2.839 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2SC)C[C@@H]1C ZINC001295984243 1064041933 /nfs/dbraw/zinc/04/19/33/1064041933.db2.gz YITHLWMBGBKEHH-OKZBNKHCSA-N 1 0 480.704 2.886 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001295987348 1064043955 /nfs/dbraw/zinc/04/39/55/1064043955.db2.gz ZYUVDZOQFFYXQK-DLKQWWBSSA-N 1 0 461.632 2.792 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOC(C)(C)C)C[C@@H]1C ZINC001295991804 1064046773 /nfs/dbraw/zinc/04/67/73/1064046773.db2.gz BOPKQXZKUCDDQL-ROUUACIJSA-N 1 0 467.618 2.926 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001295993218 1064048318 /nfs/dbraw/zinc/04/83/18/1064048318.db2.gz GYLMURCTDTVQHS-WSTZPKSXSA-N 1 0 472.638 2.997 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001291495858 1064048705 /nfs/dbraw/zinc/04/87/05/1064048705.db2.gz BALWRNZBEJOPSN-UWJYYQICSA-N 1 0 467.618 2.668 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)C(C)C)C[C@H]1C ZINC001295993489 1064048915 /nfs/dbraw/zinc/04/89/15/1064048915.db2.gz HVJCVUMMHRLLTK-WOJBJXKFSA-N 1 0 464.618 2.822 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001295994071 1064049814 /nfs/dbraw/zinc/04/98/14/1064049814.db2.gz IULLLQRCFDVLGN-OALUTQOASA-N 1 0 451.575 2.728 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291502081 1064052499 /nfs/dbraw/zinc/05/24/99/1064052499.db2.gz AXCFOAJWJAXXEI-CTNGQTDRSA-N 1 0 474.675 2.994 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COc2ccccc2OC)C[C@@H]1C ZINC001295997824 1064054219 /nfs/dbraw/zinc/05/42/19/1064054219.db2.gz SJBGHBZIFWDMKT-MUGJNUQGSA-N 1 0 470.618 2.872 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001291504168 1064055500 /nfs/dbraw/zinc/05/55/00/1064055500.db2.gz LTIRNDWQFFWDNY-HXUWFJFHSA-N 1 0 496.722 2.592 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2CCNC(=O)Cc2cccc(F)c2)C[C@H]1C ZINC001295998335 1064055647 /nfs/dbraw/zinc/05/56/47/1064055647.db2.gz VIFUPQCFDDSIHY-DYXWJJEUSA-N 1 0 472.609 2.589 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001291504198 1064055927 /nfs/dbraw/zinc/05/59/27/1064055927.db2.gz LZLQOKCFMISCBU-WMZOPIPTSA-N 1 0 468.693 2.922 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC(F)F)C[C@@H]1C ZINC001295998991 1064056123 /nfs/dbraw/zinc/05/61/23/1064056123.db2.gz YHSDKEMYQPLPBA-ROUUACIJSA-N 1 0 478.592 2.653 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001291504744 1064056281 /nfs/dbraw/zinc/05/62/81/1064056281.db2.gz WFQPIKUSLVQNQE-TZIWHRDSSA-N 1 0 468.712 2.925 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC1CC[NH+](C2CC2)CC1 ZINC001291506578 1064057161 /nfs/dbraw/zinc/05/71/61/1064057161.db2.gz BZLNWRWLJZQPMI-QGZVFWFLSA-N 1 0 452.669 2.526 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001296002074 1064057614 /nfs/dbraw/zinc/05/76/14/1064057614.db2.gz KKXLXDSGDFOQBM-IAGOWNOFSA-N 1 0 468.005 2.983 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001291507030 1064057737 /nfs/dbraw/zinc/05/77/37/1064057737.db2.gz KWWBLWKQKZNDBZ-SFHVURJKSA-N 1 0 484.711 2.541 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1C ZINC001296003209 1064058392 /nfs/dbraw/zinc/05/83/92/1064058392.db2.gz SBEYPDWICQOKDO-ZWKOTPCHSA-N 1 0 454.550 2.836 20 0 JFADRO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001291507880 1064058974 /nfs/dbraw/zinc/05/89/74/1064058974.db2.gz BOMQPKBYHLYXIW-UYAOXDASSA-N 1 0 460.648 2.746 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(N3CCN(CC)C3=O)CC2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291510071 1064061608 /nfs/dbraw/zinc/06/16/08/1064061608.db2.gz OPUHQUUXWIEXMQ-MBSDFSHPSA-N 1 0 463.696 2.955 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CC2CCS(=O)(=O)CC2)C[C@@H]1C ZINC001296009600 1064065244 /nfs/dbraw/zinc/06/52/44/1064065244.db2.gz HDSIVMFPBWTKHX-PMACEKPBSA-N 1 0 475.659 2.909 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C(C)C)n2Cc2nnn(C)n2)C[C@@H]1C ZINC001296009662 1064065746 /nfs/dbraw/zinc/06/57/46/1064065746.db2.gz ICJXELNFSJVYDW-RBUKOAKNSA-N 1 0 467.622 2.780 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001296009625 1064065795 /nfs/dbraw/zinc/06/57/95/1064065795.db2.gz HTZORYGPYDWSKW-NHCUHLMSSA-N 1 0 484.645 2.675 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N2CCOCC2)C[C@@H]1C ZINC001296010708 1064069206 /nfs/dbraw/zinc/06/92/06/1064069206.db2.gz CTHCQUOVWYGQQT-HBMCJLEFSA-N 1 0 472.634 2.505 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001296010877 1064069991 /nfs/dbraw/zinc/06/99/91/1064069991.db2.gz MZXMNDBUIYLGBC-UXHICEINSA-N 1 0 496.660 2.898 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1CC[N@H+]1CC=CCC1 ZINC001291517698 1064070349 /nfs/dbraw/zinc/07/03/49/1064070349.db2.gz ZPGOQZLEKWGZBW-SFHVURJKSA-N 1 0 453.591 2.595 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(=O)N(C)C)c2)C[C@@H]1C ZINC001296012321 1064072640 /nfs/dbraw/zinc/07/26/40/1064072640.db2.gz JTXVYQPSYNTKPF-CNNODRBYSA-N 1 0 470.618 2.564 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001296013593 1064074542 /nfs/dbraw/zinc/07/45/42/1064074542.db2.gz WNFFRVOAFFQEFQ-NHCUHLMSSA-N 1 0 482.633 2.527 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001291524095 1064074594 /nfs/dbraw/zinc/07/45/94/1064074594.db2.gz GBYKPACWKSLYOR-DENIHFKCSA-N 1 0 482.677 2.758 20 0 JFADRO CC[C@H](C)c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001291524098 1064074715 /nfs/dbraw/zinc/07/47/15/1064074715.db2.gz GBYKPACWKSLYOR-UGKGYDQZSA-N 1 0 482.677 2.758 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NCc2ccccc2)C[C@H]1C ZINC001296015214 1064076781 /nfs/dbraw/zinc/07/67/81/1064076781.db2.gz ZVBQFGKTCVSMJK-FGZHOGPDSA-N 1 0 478.645 2.765 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001296015221 1064077051 /nfs/dbraw/zinc/07/70/51/1064077051.db2.gz ZWFOXICTJOVXIO-DYXWJJEUSA-N 1 0 454.619 2.999 20 0 JFADRO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296015256 1064077169 /nfs/dbraw/zinc/07/71/69/1064077169.db2.gz RKFIVACYSARHNS-AABGKKOBSA-N 1 0 492.665 2.811 20 0 JFADRO CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2(O)CCOCC2)C[C@H]1C ZINC001296015257 1064077215 /nfs/dbraw/zinc/07/72/15/1064077215.db2.gz RKFIVACYSARHNS-AQNXPRMDSA-N 1 0 492.665 2.811 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001291538981 1064079967 /nfs/dbraw/zinc/07/99/67/1064079967.db2.gz XYUFJMYEXAYASL-SLFFLAALSA-N 1 0 454.685 2.678 20 0 JFADRO CC[NH+]1CCC(CCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001296017843 1064080278 /nfs/dbraw/zinc/08/02/78/1064080278.db2.gz IWGVHTBARDMPKN-UHFFFAOYSA-N 1 0 490.674 2.750 20 0 JFADRO CCN1C[C@H](CN(C)c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)[NH+](C)C)Oc2ccccc21 ZINC001296019467 1064081399 /nfs/dbraw/zinc/08/13/99/1064081399.db2.gz YSGLGFULRVSASB-NVJIOZQYSA-N 1 0 472.634 2.676 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001296020768 1064081961 /nfs/dbraw/zinc/08/19/61/1064081961.db2.gz AYVXSVHKDKKBDC-MRXNPFEDSA-N 1 0 496.628 2.851 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001296021524 1064082337 /nfs/dbraw/zinc/08/23/37/1064082337.db2.gz IGSQQQIXCQMPNP-ICSRJNTNSA-N 1 0 454.685 2.883 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3cnccn3)nnc2N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC001296023604 1064083772 /nfs/dbraw/zinc/08/37/72/1064083772.db2.gz NLVUBBUWXBPOMO-UHFFFAOYSA-N 1 0 470.666 2.652 20 0 JFADRO CC[NH+]1CCC(CCn2c(-c3ccccc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001296024142 1064084067 /nfs/dbraw/zinc/08/40/67/1064084067.db2.gz SZXCJYPPKMDZDO-OAQYLSRUSA-N 1 0 474.675 2.833 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCCOC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001296024577 1064084425 /nfs/dbraw/zinc/08/44/25/1064084425.db2.gz CAXIXOLAPWTDDU-RTWAWAEBSA-N 1 0 467.680 2.698 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)CC1 ZINC001296024704 1064084756 /nfs/dbraw/zinc/08/47/56/1064084756.db2.gz GWHJWXDWIGCWNJ-ICSRJNTNSA-N 1 0 455.669 2.554 20 0 JFADRO CC[NH+]1CCC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001296024797 1064085048 /nfs/dbraw/zinc/08/50/48/1064085048.db2.gz JMECAROJYBZCEG-ZWKOTPCHSA-N 1 0 459.607 2.784 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3c(F)cccc3F)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001296027242 1064086917 /nfs/dbraw/zinc/08/69/17/1064086917.db2.gz NISNCKGYGZMYDH-UHFFFAOYSA-N 1 0 469.602 2.750 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3C)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001296027202 1064086946 /nfs/dbraw/zinc/08/69/46/1064086946.db2.gz MCRBTSMSBCFHHC-UHFFFAOYSA-N 1 0 488.702 2.817 20 0 JFADRO CC[NH+]1CCC(CCn2c(Cc3ccccc3C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001296028277 1064087298 /nfs/dbraw/zinc/08/72/98/1064087298.db2.gz XATVTEHINGSLCQ-UHFFFAOYSA-N 1 0 468.646 2.594 20 0 JFADRO CC[NH+]1CCC(CCn2c(N3CCC[C@@H](NC(C)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296030479 1064087952 /nfs/dbraw/zinc/08/79/52/1064087952.db2.gz DUEMEHXBKNPNMW-RCZVLFRGSA-N 1 0 476.666 2.546 20 0 JFADRO CC[NH+]1CCC(CCn2c(N3CCN(C(=O)C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296031156 1064089088 /nfs/dbraw/zinc/08/90/88/1064089088.db2.gz ROQTUGOSJJUCCR-AREMUKBSSA-N 1 0 490.693 2.745 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001291548830 1064089728 /nfs/dbraw/zinc/08/97/28/1064089728.db2.gz OAJDYDWRQFOMRS-QUCCMNQESA-N 1 0 463.648 2.794 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001291548832 1064090099 /nfs/dbraw/zinc/09/00/99/1064090099.db2.gz OAJDYDWRQFOMRS-UYAOXDASSA-N 1 0 463.648 2.794 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(O)(Cc3cccc(C)c3)CC2)C1 ZINC001296032994 1064090522 /nfs/dbraw/zinc/09/05/22/1064090522.db2.gz HITDKAWFAQOHOF-QFIPXVFZSA-N 1 0 468.646 2.641 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCCN(C(=O)c3ccsc3)CC2)C1 ZINC001296033070 1064091011 /nfs/dbraw/zinc/09/10/11/1064091011.db2.gz JBIXBAYEVACRHY-UXHICEINSA-N 1 0 490.674 2.758 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001296033076 1064091348 /nfs/dbraw/zinc/09/13/48/1064091348.db2.gz JBSVFMMPUJHFDC-VAMGGRTRSA-N 1 0 480.654 2.790 20 0 JFADRO CCN(Cc1ccc(Cl)s1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[N@H+](CC)C1 ZINC001296033320 1064091853 /nfs/dbraw/zinc/09/18/53/1064091853.db2.gz KXQIMECKLDCKJG-LSDHHAIUSA-N 1 0 475.084 2.972 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001296034148 1064092774 /nfs/dbraw/zinc/09/27/74/1064092774.db2.gz RFECPHTXBFICOV-QYZOEREBSA-N 1 0 498.632 2.617 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)C(=O)C2)C1 ZINC001296034637 1064093080 /nfs/dbraw/zinc/09/30/80/1064093080.db2.gz WJXWVUNGYWOMFL-NRFANRHFSA-N 1 0 481.645 2.794 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001296034682 1064093370 /nfs/dbraw/zinc/09/33/70/1064093370.db2.gz WXKZFGFHKZXSAH-FUHIMQAGSA-N 1 0 465.595 2.522 20 0 JFADRO CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Nc4cc[nH+]cc4)cc3)CC2)cc1 ZINC001296034812 1064093550 /nfs/dbraw/zinc/09/35/50/1064093550.db2.gz BBTQQTSBASZCOB-UHFFFAOYSA-N 1 0 451.552 2.581 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)CC2CCC2)C1 ZINC001296035447 1064094551 /nfs/dbraw/zinc/09/45/51/1064094551.db2.gz DIGKKSUWIFNQCO-IBGZPJMESA-N 1 0 460.648 2.774 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(=O)NC)C2)C1 ZINC001296035438 1064094572 /nfs/dbraw/zinc/09/45/72/1064094572.db2.gz CZOPBITZWSIDQT-WAIKUNEKSA-N 1 0 462.545 2.851 20 0 JFADRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](C)(C(=O)NC)C2)C1 ZINC001296035435 1064094580 /nfs/dbraw/zinc/09/45/80/1064094580.db2.gz CZOPBITZWSIDQT-HJPURHCSSA-N 1 0 462.545 2.851 20 0 JFADRO CC[C@H](C)c1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCNC(=O)c1ccn[nH]1 ZINC001291568406 1064095833 /nfs/dbraw/zinc/09/58/33/1064095833.db2.gz BFTCNITUZNVRNS-SFHVURJKSA-N 1 0 468.581 2.796 20 0 JFADRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CCN(CCOC)CC2)C1 ZINC001296036839 1064096883 /nfs/dbraw/zinc/09/68/83/1064096883.db2.gz MOJKCFMRGSNRCJ-QGZVFWFLSA-N 1 0 495.441 2.957 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001291571182 1064097698 /nfs/dbraw/zinc/09/76/98/1064097698.db2.gz QYVHIYNZBGVCQV-LJQANCHMSA-N 1 0 451.623 2.747 20 0 JFADRO 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CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCN1CCOCC1 ZINC001296090722 1064162507 /nfs/dbraw/zinc/16/25/07/1064162507.db2.gz WZKFCPSXGKTNRE-NRFANRHFSA-N 1 0 472.634 2.605 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001296095236 1064167631 /nfs/dbraw/zinc/16/76/31/1064167631.db2.gz FGXWVSRHZNIDJG-BZSNNMDCSA-N 1 0 475.556 2.770 20 0 JFADRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC001296095279 1064168345 /nfs/dbraw/zinc/16/83/45/1064168345.db2.gz GFNYVBVLVVFQGS-YFVAEKQCSA-N 1 0 476.647 2.849 20 0 JFADRO CCN1CCCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1=O ZINC001296096143 1064169662 /nfs/dbraw/zinc/16/96/62/1064169662.db2.gz MFSYILTUTPXKEV-QFIPXVFZSA-N 1 0 468.646 2.639 20 0 JFADRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001296096065 1064169680 /nfs/dbraw/zinc/16/96/80/1064169680.db2.gz LITOCJFIWIBCCP-YUXAGFNASA-N 1 0 459.591 2.590 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1CC[N@H+](CC)C1CC1 ZINC001291630260 1064175889 /nfs/dbraw/zinc/17/58/89/1064175889.db2.gz RYXCZEIZIAZPTM-LEWJYISDSA-N 1 0 459.683 2.799 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(CC(=O)N(CC)CC)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001291631428 1064177792 /nfs/dbraw/zinc/17/77/92/1064177792.db2.gz VLXNLJLMOXPJPS-VXKWHMMOSA-N 1 0 461.699 2.902 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccc(Cl)c3)n2CCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC001296103546 1064181631 /nfs/dbraw/zinc/18/16/31/1064181631.db2.gz SRSOASBMACTIGB-OAQYLSRUSA-N 1 0 475.037 2.894 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC001296106685 1064185457 /nfs/dbraw/zinc/18/54/57/1064185457.db2.gz WHKQMWMSIQWCKC-UHFFFAOYSA-N 1 0 479.629 2.525 20 0 JFADRO CCN1CCCN(c2nnc(-c3cccnc3)n2CCc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC001296108674 1064186719 /nfs/dbraw/zinc/18/67/19/1064186719.db2.gz KYXWFVAATULSHZ-UHFFFAOYSA-N 1 0 477.613 2.582 20 0 JFADRO CC[C@H](C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCOC(F)(F)F ZINC001291639695 1064188079 /nfs/dbraw/zinc/18/80/79/1064188079.db2.gz OCCZRUCMYACDPO-OALUTQOASA-N 1 0 476.588 2.949 20 0 JFADRO CCN1CCCN(c2nnc(Cc3cccnc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001296113187 1064195069 /nfs/dbraw/zinc/19/50/69/1064195069.db2.gz QDCVPIOAJJPWKI-OAQYLSRUSA-N 1 0 453.635 2.835 20 0 JFADRO CCN1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](C)[NH+](C)C)CC2)CC1 ZINC001296119097 1064203565 /nfs/dbraw/zinc/20/35/65/1064203565.db2.gz OQUWYJYTOKHMSX-IBGZPJMESA-N 1 0 471.650 2.567 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC001296120248 1064209050 /nfs/dbraw/zinc/20/90/50/1064209050.db2.gz GUPZWNSZTZVUTG-GOSISDBHSA-N 1 0 472.613 2.542 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120554 1064210541 /nfs/dbraw/zinc/21/05/41/1064210541.db2.gz JLEBYOQEMYQGTA-FGZHOGPDSA-N 1 0 467.662 2.917 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC1 ZINC001296120556 1064210563 /nfs/dbraw/zinc/21/05/63/1064210563.db2.gz JLEBYOQEMYQGTA-YADHBBJMSA-N 1 0 467.662 2.917 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C)n3)C2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291666811 1064211549 /nfs/dbraw/zinc/21/15/49/1064211549.db2.gz FAPFJKCQQMMGJF-BMFAXAFESA-N 1 0 461.611 2.949 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](c3ccccc3C)C2)CC1 ZINC001296121533 1064212699 /nfs/dbraw/zinc/21/26/99/1064212699.db2.gz PWVAMDFPRLASSE-FCHUYYIVSA-N 1 0 467.662 2.745 20 0 JFADRO CCN(c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N1CC[NH+](CC)CC1)C(C)C ZINC001296121343 1064212721 /nfs/dbraw/zinc/21/27/21/1064212721.db2.gz NYFXSPZHPSNMND-IBGZPJMESA-N 1 0 490.722 2.807 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001291669991 1064212827 /nfs/dbraw/zinc/21/28/27/1064212827.db2.gz NDIKMFUQZPHRBO-ZCNNSNEGSA-N 1 0 474.654 2.902 20 0 JFADRO CC[C@@H](C)c1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCCN1CC[NH+](CC)CC1 ZINC001291672346 1064214035 /nfs/dbraw/zinc/21/40/35/1064214035.db2.gz QCEZFUGHMUQADB-RTWAWAEBSA-N 1 0 493.697 2.549 20 0 JFADRO CC[C@H](C)c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001291672642 1064214502 /nfs/dbraw/zinc/21/45/02/1064214502.db2.gz RLSZFSYFFFPSQF-VJBMBRPKSA-N 1 0 454.619 2.970 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001296122592 1064215057 /nfs/dbraw/zinc/21/50/57/1064215057.db2.gz YHAJCRUMYALTCD-NRFANRHFSA-N 1 0 470.662 2.969 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(CC(=O)N3CCCC3)CC2)CC1 ZINC001296122601 1064215388 /nfs/dbraw/zinc/21/53/88/1064215388.db2.gz YKHDTFYQEAKWAH-OAQYLSRUSA-N 1 0 459.683 2.656 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001296122873 1064215451 /nfs/dbraw/zinc/21/54/51/1064215451.db2.gz ZODLHUPJDWMKQS-PMACEKPBSA-N 1 0 454.623 2.578 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296124152 1064216710 /nfs/dbraw/zinc/21/67/10/1064216710.db2.gz FPPCLNXUPGSWED-KRWDZBQOSA-N 1 0 480.032 2.724 20 0 JFADRO CC[C@H](C)c1nnc(N2CCSC3(CCOCC3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001291680825 1064216800 /nfs/dbraw/zinc/21/68/00/1064216800.db2.gz HUTRITYCAXLKBI-IBGZPJMESA-N 1 0 450.697 2.920 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCSC[C@@H]2C)CC1 ZINC001296124344 1064217064 /nfs/dbraw/zinc/21/70/64/1064217064.db2.gz GXUIYTIBGPDURG-OALUTQOASA-N 1 0 474.675 2.930 20 0 JFADRO CC(C)CNC(=O)N1CCC[C@H](C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC001291686899 1064217484 /nfs/dbraw/zinc/21/74/84/1064217484.db2.gz VIMBCEASXXZTBH-DEOSSOPVSA-N 1 0 457.663 2.778 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N(C)CCCC(=O)NC)CC1 ZINC001296125200 1064218348 /nfs/dbraw/zinc/21/83/48/1064218348.db2.gz LIGBTGHDQMYMOH-GOSISDBHSA-N 1 0 462.042 2.587 20 0 JFADRO CC[C@H](C)c1nnc(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001291691935 1064218678 /nfs/dbraw/zinc/21/86/78/1064218678.db2.gz GALMVZWPMCSELV-XFAGBWLFSA-N 1 0 462.639 2.742 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001296125556 1064219330 /nfs/dbraw/zinc/21/93/30/1064219330.db2.gz MOBMYPYUIVTBSM-OAQYLSRUSA-N 1 0 492.672 2.728 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001296126027 1064220113 /nfs/dbraw/zinc/22/01/13/1064220113.db2.gz OQZOFFSVCSEMNL-SFHVURJKSA-N 1 0 483.617 2.921 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc4ccccc4o3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001296126457 1064220520 /nfs/dbraw/zinc/22/05/20/1064220520.db2.gz QHRWTYSHVMHQPH-RTBURBONSA-N 1 0 467.618 2.536 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](CCOC)C2)CC1 ZINC001296126463 1064220788 /nfs/dbraw/zinc/22/07/88/1064220788.db2.gz QKPMUZBDWAGCID-OALUTQOASA-N 1 0 462.042 2.882 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)CC2CCOCC2)CC1 ZINC001296126923 1064221199 /nfs/dbraw/zinc/22/11/99/1064221199.db2.gz SUXACTXFDHIYRA-FQEVSTJZSA-N 1 0 486.661 2.851 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)C2CCC(NC(C)=O)CC2)CC1 ZINC001296127246 1064221683 /nfs/dbraw/zinc/22/16/83/1064221683.db2.gz UJBIDJHUSOAUMY-RBKXMNCYSA-N 1 0 497.688 2.863 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001296130993 1064224514 /nfs/dbraw/zinc/22/45/14/1064224514.db2.gz HOFWLIZMYAADSC-IBGZPJMESA-N 1 0 496.050 2.935 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2cnn(-c3ccccc3)n2)CC1 ZINC001296131320 1064225413 /nfs/dbraw/zinc/22/54/13/1064225413.db2.gz JNPOBYKEGUWKNI-OAQYLSRUSA-N 1 0 465.650 2.720 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC=C(COC)CC2)CC1 ZINC001296131749 1064226418 /nfs/dbraw/zinc/22/64/18/1064226418.db2.gz MSMGVQAMZNXGPN-NRFANRHFSA-N 1 0 468.646 2.686 20 0 JFADRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)C[C@H]2CCCOC2)CC1 ZINC001296131800 1064227376 /nfs/dbraw/zinc/22/73/76/1064227376.db2.gz NKZGRKZVXNHHRN-UYAOXDASSA-N 1 0 461.680 2.523 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001296132290 1064229314 /nfs/dbraw/zinc/22/93/14/1064229314.db2.gz AOWCXZOIMXUNRH-CPJSRVTESA-N 1 0 485.702 2.607 20 0 JFADRO CC[C@H](C)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001291723646 1064229399 /nfs/dbraw/zinc/22/93/99/1064229399.db2.gz XVLIXGHIKSYJNM-HBMCJLEFSA-N 1 0 494.681 2.916 20 0 JFADRO CC[NH+]1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296132346 1064229750 /nfs/dbraw/zinc/22/97/50/1064229750.db2.gz SMXPGNKXZKPYRG-CPJSRVTESA-N 1 0 462.683 2.667 20 0 JFADRO CC[C@@H](C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001291732297 1064230658 /nfs/dbraw/zinc/23/06/58/1064230658.db2.gz IRYAUOMTYBLUFD-STSQHVNTSA-N 1 0 450.628 2.899 20 0 JFADRO 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JFADRO CC[C@H](C)[N@H+](C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC2(CC2)C1 ZINC001291778127 1064265823 /nfs/dbraw/zinc/26/58/23/1064265823.db2.gz HUGUSDBIBKSGAG-PMACEKPBSA-N 1 0 492.665 2.934 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COCC(F)(F)F)c2)C[C@H]1C ZINC001296154964 1064266543 /nfs/dbraw/zinc/26/65/43/1064266543.db2.gz LTJMWVLCGQUQGL-APWZRJJASA-N 1 0 480.535 2.887 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291778706 1064266813 /nfs/dbraw/zinc/26/68/13/1064266813.db2.gz KUOITKPNVCPEKE-GOSISDBHSA-N 1 0 480.654 2.599 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(Cc2ccsc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001291780630 1064267775 /nfs/dbraw/zinc/26/77/75/1064267775.db2.gz AFZAQORNMZEJHL-KRWDZBQOSA-N 1 0 468.693 2.521 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296156075 1064268647 /nfs/dbraw/zinc/26/86/47/1064268647.db2.gz SPDSKTOIPVDNEG-JXFKEZNVSA-N 1 0 458.561 2.790 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2c(F)cccc2F)N(C)C)C[C@@H]1C ZINC001296156085 1064268712 /nfs/dbraw/zinc/26/87/12/1064268712.db2.gz SPDSKTOIPVDNEG-OXJNMPFZSA-N 1 0 458.561 2.790 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CCCOC)C[C@@H]1C ZINC001296156985 1064269305 /nfs/dbraw/zinc/26/93/05/1064269305.db2.gz WLGZHYPDNDWSMN-SFHVURJKSA-N 1 0 453.591 2.803 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001291782026 1064269542 /nfs/dbraw/zinc/26/95/42/1064269542.db2.gz LJHGSTIRWRYZPB-IFMALSPDSA-N 1 0 453.635 2.740 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001291782150 1064270155 /nfs/dbraw/zinc/27/01/55/1064270155.db2.gz LUCCAPZUCDQHAX-KBMIEXCESA-N 1 0 454.619 2.519 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001296157512 1064270568 /nfs/dbraw/zinc/27/05/68/1064270568.db2.gz YLULYFBNZWCFHO-GOSISDBHSA-N 1 0 468.606 2.833 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296157845 1064271286 /nfs/dbraw/zinc/27/12/86/1064271286.db2.gz FYBILXFYIXGGCR-TZIWHRDSSA-N 1 0 456.639 2.654 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291782519 1064271604 /nfs/dbraw/zinc/27/16/04/1064271604.db2.gz PTWSHVNSIOEIBS-BDTNDASRSA-N 1 0 473.710 2.587 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCC2(COC(=O)N2)CC1 ZINC001291782594 1064272728 /nfs/dbraw/zinc/27/27/28/1064272728.db2.gz QRUOXJYNIPTCCE-LJQANCHMSA-N 1 0 470.618 2.881 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001291782601 1064272939 /nfs/dbraw/zinc/27/29/39/1064272939.db2.gz QTRKDFAOMXEFKU-GOSISDBHSA-N 1 0 482.658 2.722 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001291783057 1064274541 /nfs/dbraw/zinc/27/45/41/1064274541.db2.gz IBDHJTAQNZSCKP-OALUTQOASA-N 1 0 458.582 2.928 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001291782956 1064274557 /nfs/dbraw/zinc/27/45/57/1064274557.db2.gz WAZSPZDXYFILIB-GPXNEJASSA-N 1 0 454.663 2.951 20 0 JFADRO CC[C@@H](C)[N@H+](C)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001291783056 1064274704 /nfs/dbraw/zinc/27/47/04/1064274704.db2.gz IBDHJTAQNZSCKP-MOPGFXCFSA-N 1 0 458.582 2.928 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001296160722 1064274700 /nfs/dbraw/zinc/27/47/00/1064274700.db2.gz HNOPQQQEASKXLV-IBGZPJMESA-N 1 0 454.619 2.857 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001296163714 1064279640 /nfs/dbraw/zinc/27/96/40/1064279640.db2.gz YGYCWIZAMWSVGR-AQNXPRMDSA-N 1 0 476.622 2.810 20 0 JFADRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001296163882 1064279951 /nfs/dbraw/zinc/27/99/51/1064279951.db2.gz ZBFPKJYHZWTMDO-GUDVDZBRSA-N 1 0 450.628 2.958 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001296164678 1064281553 /nfs/dbraw/zinc/28/15/53/1064281553.db2.gz ARDLNIVBKIVEAA-HXUWFJFHSA-N 1 0 450.587 2.751 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001296164735 1064282186 /nfs/dbraw/zinc/28/21/86/1064282186.db2.gz BNHYMCPODQFRBH-FXAWDEMLSA-N 1 0 474.654 2.831 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(N2CCN(C(=O)C(C)(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001291786280 1064282787 /nfs/dbraw/zinc/28/27/87/1064282787.db2.gz RZXZHKKVYMSLOS-NBGIEHNGSA-N 1 0 478.682 2.744 20 0 JFADRO CC[C@H](C)[N@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC001291786219 1064282907 /nfs/dbraw/zinc/28/29/07/1064282907.db2.gz ZEVVWAAJZBDROT-OTWHNJEPSA-N 1 0 460.648 2.863 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC001296164845 1064283114 /nfs/dbraw/zinc/28/31/14/1064283114.db2.gz DXUFKWPJQGNOEB-KRWDZBQOSA-N 1 0 480.535 2.920 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2c(F)cccc2F)N(C)C)C[C@H]1C ZINC001296165397 1064284906 /nfs/dbraw/zinc/28/49/06/1064284906.db2.gz ISALREGYPKPTAE-XLIONFOSSA-N 1 0 475.588 2.512 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001296165855 1064285423 /nfs/dbraw/zinc/28/54/23/1064285423.db2.gz BHXYVAANFRTOPQ-LADGPHEKSA-N 1 0 454.663 2.951 20 0 JFADRO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001291789881 1064285800 /nfs/dbraw/zinc/28/58/00/1064285800.db2.gz UEBYMWGQLNKDSU-AZUAARDMSA-N 1 0 452.571 2.600 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001296167710 1064290556 /nfs/dbraw/zinc/29/05/56/1064290556.db2.gz IIWUOYUGYQGXQA-INIZCTEOSA-N 1 0 461.636 2.643 20 0 JFADRO CC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001296167489 1064290639 /nfs/dbraw/zinc/29/06/39/1064290639.db2.gz UDBARFLEXCZQIC-ZDUSSCGKSA-N 1 0 454.472 2.536 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3ccccc3Cl)C2)CC1 ZINC001296173412 1064295952 /nfs/dbraw/zinc/29/59/52/1064295952.db2.gz FWOPPITWCALJAM-HXUWFJFHSA-N 1 0 474.053 2.529 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(C)C)n3Cc3cccnc3OCC(F)F)C2)CC1 ZINC001296173683 1064297001 /nfs/dbraw/zinc/29/70/01/1064297001.db2.gz JXBFEBMTOYUVOZ-LJQANCHMSA-N 1 0 463.577 2.705 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)c2ccc(F)cc2)C[C@H]1C ZINC001296174170 1064301159 /nfs/dbraw/zinc/30/11/59/1064301159.db2.gz PFCMTIXYJNPTTP-CVOKININSA-N 1 0 461.582 2.579 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001296175535 1064304276 /nfs/dbraw/zinc/30/42/76/1064304276.db2.gz XCNBQIUEHLYLTM-ACRUOGEOSA-N 1 0 491.681 2.601 20 0 JFADRO CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCOC[C@@H]2C)C[C@H]1C ZINC001296175539 1064304688 /nfs/dbraw/zinc/30/46/88/1064304688.db2.gz XCNBQIUEHLYLTM-HKBOAZHASA-N 1 0 491.681 2.601 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001291796652 1064305659 /nfs/dbraw/zinc/30/56/59/1064305659.db2.gz LJEDENJXUKPNCD-UYAOXDASSA-N 1 0 470.618 2.942 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3csc(COC)n3)C2)CC1 ZINC001296178561 1064305958 /nfs/dbraw/zinc/30/59/58/1064305958.db2.gz AOCDSNANBWXPQW-IBGZPJMESA-N 1 0 461.680 2.734 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291797103 1064306221 /nfs/dbraw/zinc/30/62/21/1064306221.db2.gz WPTQNUVCBYKVDR-HXUWFJFHSA-N 1 0 469.634 2.982 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4OC)n3CCC(C)(C)O)C2)CC1 ZINC001296180080 1064310338 /nfs/dbraw/zinc/31/03/38/1064310338.db2.gz LDDAMDSCKHUBAT-IBGZPJMESA-N 1 0 477.053 2.984 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(OC)c4)n3CC(O)(CC)CC)C2)CC1 ZINC001296180750 1064312981 /nfs/dbraw/zinc/31/29/81/1064312981.db2.gz QSYZCNBJKBRJBM-OAQYLSRUSA-N 1 0 456.635 2.721 20 0 JFADRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001296180746 1064313068 /nfs/dbraw/zinc/31/30/68/1064313068.db2.gz QSKUEZKPDGECHH-XXBNENTESA-N 1 0 462.042 2.617 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291803271 1064315792 /nfs/dbraw/zinc/31/57/92/1064315792.db2.gz JXQMHNVUEXONLZ-GOSISDBHSA-N 1 0 468.606 2.597 20 0 JFADRO CCN(CC)C(=O)CCCn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001296181755 1064317889 /nfs/dbraw/zinc/31/78/89/1064317889.db2.gz ZXNSFSHAYMAXDX-NRFANRHFSA-N 1 0 485.652 2.949 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC(F)(F)CNC(=O)OC(C)(C)C)C2)CC1 ZINC001296181893 1064319401 /nfs/dbraw/zinc/31/94/01/1064319401.db2.gz GPELFECPYIOFKJ-IBGZPJMESA-N 1 0 499.651 2.853 20 0 JFADRO CCN1CCN(C2CCN(c3nnc(Cc4ccccc4OC)n3CC[N@H+](C)C(C)C)CC2)C1=O ZINC001296182402 1064323891 /nfs/dbraw/zinc/32/38/91/1064323891.db2.gz SBWAETTYFOIPLU-UHFFFAOYSA-N 1 0 483.661 2.944 20 0 JFADRO CC[NH+]1CCN([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CC(C)(C)COC)C2)CC1 ZINC001296182649 1064324511 /nfs/dbraw/zinc/32/45/11/1064324511.db2.gz VWHQQYACZMLPMF-QFIPXVFZSA-N 1 0 458.626 2.897 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@H](COC)C2)CC1 ZINC001296183828 1064330196 /nfs/dbraw/zinc/33/01/96/1064330196.db2.gz GOTYKQPMBCBULV-RTWAWAEBSA-N 1 0 456.635 2.700 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N(C)OC)CC1 ZINC001296184560 1064332183 /nfs/dbraw/zinc/33/21/83/1064332183.db2.gz LHTWIHNAYHOIBU-MRXNPFEDSA-N 1 0 481.439 2.987 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)C2CC2)CC1 ZINC001296185049 1064333025 /nfs/dbraw/zinc/33/30/25/1064333025.db2.gz NZYKKCVTEDUSQZ-SFHVURJKSA-N 1 0 474.053 2.734 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001296186055 1064334221 /nfs/dbraw/zinc/33/42/21/1064334221.db2.gz SXSFECROQFZXAL-SFHVURJKSA-N 1 0 489.615 2.531 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001296186689 1064334922 /nfs/dbraw/zinc/33/49/22/1064334922.db2.gz YENXRZMURLHCOQ-IBGZPJMESA-N 1 0 459.605 2.750 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296190977 1064340235 /nfs/dbraw/zinc/34/02/35/1064340235.db2.gz GYCWLNKRAUZNPQ-GOSISDBHSA-N 1 0 485.706 2.586 20 0 JFADRO CC[C@H](C)NC(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001291812974 1064340972 /nfs/dbraw/zinc/34/09/72/1064340972.db2.gz SJQFQXKDBYXAMD-DPLHUUCSSA-N 1 0 495.672 2.629 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001296192107 1064344059 /nfs/dbraw/zinc/34/40/59/1064344059.db2.gz MDKBGJNUNACYHJ-BKMJKUGQSA-N 1 0 469.678 2.933 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC([C@H]3CC3(F)F)CC2)CC1 ZINC001296192364 1064345279 /nfs/dbraw/zinc/34/52/79/1064345279.db2.gz DKJUZFJDJJIFCV-HXUWFJFHSA-N 1 0 481.636 2.706 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC[C@@H]2C)CC1 ZINC001296192409 1064345364 /nfs/dbraw/zinc/34/53/64/1064345364.db2.gz DWKIPBROKMVGBT-GMAHTHKFSA-N 1 0 470.662 2.973 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)Cc2nccs2)CC1 ZINC001296192377 1064345485 /nfs/dbraw/zinc/34/54/85/1064345485.db2.gz DMYJLHJFARBBEM-SFHVURJKSA-N 1 0 471.679 2.506 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC(Nc4cccnn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296192421 1064346041 /nfs/dbraw/zinc/34/60/41/1064346041.db2.gz FBBYUAJJKVHUGM-HXUWFJFHSA-N 1 0 469.682 2.720 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2Nc2cnn(C)c2)CC1 ZINC001296192422 1064346073 /nfs/dbraw/zinc/34/60/73/1064346073.db2.gz FBSYBTAILVNFAP-GOSISDBHSA-N 1 0 456.570 2.747 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCC[C@@H](c4nc(C)no4)C3)nnc2C(C)(C)C)CC1 ZINC001296193358 1064350309 /nfs/dbraw/zinc/35/03/09/1064350309.db2.gz IKEMZKDDJBZGJZ-UYAOXDASSA-N 1 0 458.655 2.925 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC001296193499 1064351017 /nfs/dbraw/zinc/35/10/17/1064351017.db2.gz IVFWDRYFXSRQTG-FQEVSTJZSA-N 1 0 467.662 2.815 20 0 JFADRO CCN1CC[NH+](CCCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001296193391 1064351222 /nfs/dbraw/zinc/35/12/22/1064351222.db2.gz IXYQYJCULMWEJQ-NRFANRHFSA-N 1 0 477.698 2.618 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001296193700 1064351235 /nfs/dbraw/zinc/35/12/35/1064351235.db2.gz PDROLAUYWKMQQB-PKOBYXMFSA-N 1 0 486.608 2.972 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193712 1064352592 /nfs/dbraw/zinc/35/25/92/1064352592.db2.gz PGBAQTUBISQRTO-SQJMNOBHSA-N 1 0 462.683 2.525 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001296193711 1064352621 /nfs/dbraw/zinc/35/26/21/1064352621.db2.gz PGBAQTUBISQRTO-PXDATVDWSA-N 1 0 462.683 2.525 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001296194693 1064357639 /nfs/dbraw/zinc/35/76/39/1064357639.db2.gz NXBPWNMMSHIZQO-GOSISDBHSA-N 1 0 493.578 2.962 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001296194862 1064358298 /nfs/dbraw/zinc/35/82/98/1064358298.db2.gz GRVUUETXMOUSQH-HXUWFJFHSA-N 1 0 486.665 2.794 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)CC1 ZINC001296195608 1064361972 /nfs/dbraw/zinc/36/19/72/1064361972.db2.gz WMDQWHCNYBRSAK-IPMKNSEASA-N 1 0 460.589 2.906 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001296195876 1064364226 /nfs/dbraw/zinc/36/42/26/1064364226.db2.gz RIMDIMVJLVGEMM-RLWLMLJZSA-N 1 0 486.709 2.809 20 0 JFADRO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001296196110 1064364669 /nfs/dbraw/zinc/36/46/69/1064364669.db2.gz XHAQSBNCWDBTHK-RBBKRZOGSA-N 1 0 457.692 2.869 20 0 JFADRO CC[C@@H](C)NC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001291822761 1064366031 /nfs/dbraw/zinc/36/60/31/1064366031.db2.gz NQFMOAYGQGTHPM-RTBURBONSA-N 1 0 487.674 2.639 20 0 JFADRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCS(=O)CC2)CC1 ZINC001296196544 1064368001 /nfs/dbraw/zinc/36/80/01/1064368001.db2.gz QMDOVYPVHWWQGD-UHFFFAOYSA-N 1 0 495.093 2.594 20 0 JFADRO CCN1CC[NH+](C[C@@H](C)Cn2c(C3CCCC3)nnc2N(C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001296197004 1064372118 /nfs/dbraw/zinc/37/21/18/1064372118.db2.gz XUCDIXVHMRRXMI-ZLNRFVROSA-N 1 0 475.726 2.755 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2Cc2ccccc2)CC1 ZINC001296202268 1064377980 /nfs/dbraw/zinc/37/79/80/1064377980.db2.gz CGXZKIFENQBWNA-HSZRJFAPSA-N 1 0 467.662 2.655 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001296202583 1064378582 /nfs/dbraw/zinc/37/85/82/1064378582.db2.gz GGMYWGGSXVJXBW-UHFFFAOYSA-N 1 0 484.674 2.690 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3CCCCO3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296202973 1064379079 /nfs/dbraw/zinc/37/90/79/1064379079.db2.gz JPTFTXLPIOLHHE-JOCHJYFZSA-N 1 0 478.682 2.773 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001296203335 1064381374 /nfs/dbraw/zinc/38/13/74/1064381374.db2.gz LAFMHFJGWPRELF-UHFFFAOYSA-N 1 0 498.582 2.868 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC001296203668 1064382070 /nfs/dbraw/zinc/38/20/70/1064382070.db2.gz MXYNMVHTLUENLR-UHFFFAOYSA-N 1 0 483.709 2.978 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cnn(C)c3)C2)CC1 ZINC001296203782 1064383445 /nfs/dbraw/zinc/38/34/45/1064383445.db2.gz ODPMPWIXPPAZFK-JOCHJYFZSA-N 1 0 472.682 2.596 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CC(C)C)nnc2N2CCC[C@@H](n3nc(C)nc3C)C2)CC1 ZINC001296203826 1064383462 /nfs/dbraw/zinc/38/34/62/1064383462.db2.gz PHHGLPVQGPTJIJ-HSZRJFAPSA-N 1 0 471.698 2.944 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001296204582 1064386320 /nfs/dbraw/zinc/38/63/20/1064386320.db2.gz SWMWXWABUJWSTR-QFIPXVFZSA-N 1 0 459.683 2.691 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC001291829447 1064386988 /nfs/dbraw/zinc/38/69/88/1064386988.db2.gz MQFIKLWWMLRGCB-SFTDATJTSA-N 1 0 471.650 2.868 20 0 JFADRO CCN1CC[NH+](CCCCn2c(CCc3ccccc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001296204659 1064387039 /nfs/dbraw/zinc/38/70/39/1064387039.db2.gz UWWRGEYNFARXSV-UHFFFAOYSA-N 1 0 481.689 2.540 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3cccnc3)nnc2N(C)Cc2ccc(OC)c(O)c2)CC1 ZINC001296205023 1064388542 /nfs/dbraw/zinc/38/85/42/1064388542.db2.gz QMKKXZOXSNMNFR-UHFFFAOYSA-N 1 0 465.602 2.718 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC001296205027 1064388561 /nfs/dbraw/zinc/38/85/61/1064388561.db2.gz QUPHCMDYVCYLPG-BPYKYCOYSA-N 1 0 462.683 2.667 20 0 JFADRO CCN1CC[NH+](CCCCn2c([C@H]3COCCN3C(=O)OC(C)(C)C)nnc2N2CCCC2)CC1 ZINC001296205257 1064390217 /nfs/dbraw/zinc/39/02/17/1064390217.db2.gz ZXVFCIAMVWKSGD-OAQYLSRUSA-N 1 0 491.681 2.604 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CCC3)nnc2N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296205357 1064390878 /nfs/dbraw/zinc/39/08/78/1064390878.db2.gz UOWKMQAGJZJMDE-NRFANRHFSA-N 1 0 473.710 2.952 20 0 JFADRO CC[NH+]1CCN(CCCn2c(C3CCC3)nnc2N2CCC[C@H](CNC(=O)C(C)(C)C)C2)CC1 ZINC001296205358 1064391071 /nfs/dbraw/zinc/39/10/71/1064391071.db2.gz UOWKMQAGJZJMDE-OAQYLSRUSA-N 1 0 473.710 2.952 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001296205929 1064392663 /nfs/dbraw/zinc/39/26/63/1064392663.db2.gz GQZGCENKHJLAMW-FQEVSTJZSA-N 1 0 472.634 2.605 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3C)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001296205904 1064392697 /nfs/dbraw/zinc/39/26/97/1064392697.db2.gz FTYRUUJNMXEXHD-UHFFFAOYSA-N 1 0 450.635 2.959 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccn3)nnc2N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC001296205951 1064393291 /nfs/dbraw/zinc/39/32/91/1064393291.db2.gz HRXUNBIJYZGLEX-UHFFFAOYSA-N 1 0 476.629 2.751 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001291831997 1064394581 /nfs/dbraw/zinc/39/45/81/1064394581.db2.gz DYVWANZUSLMFPC-PZJWPPBQSA-N 1 0 471.650 2.758 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC(=O)NC(C)C)CC1 ZINC001296206312 1064394865 /nfs/dbraw/zinc/39/48/65/1064394865.db2.gz NBWSTAKJVISKSW-UHFFFAOYSA-N 1 0 480.032 2.726 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832255 1064395096 /nfs/dbraw/zinc/39/50/96/1064395096.db2.gz GAYPZHZJIUVPJA-YADHBBJMSA-N 1 0 496.704 2.887 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291832082 1064395254 /nfs/dbraw/zinc/39/52/54/1064395254.db2.gz FVYFXUSGQLWIBW-FGZHOGPDSA-N 1 0 496.704 2.887 20 0 JFADRO CCN1CC[NH+](CCCn2c(-c3ccccc3)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001296206407 1064395543 /nfs/dbraw/zinc/39/55/43/1064395543.db2.gz PWBSMOTYPCUATC-UHFFFAOYSA-N 1 0 456.635 2.808 20 0 JFADRO CC[NH+]1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001296211329 1064401782 /nfs/dbraw/zinc/40/17/82/1064401782.db2.gz NHFGKRXDIPOIAH-UHFFFAOYSA-N 1 0 474.451 2.780 20 0 JFADRO CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCSC3(CCOCC3)C2)CC1 ZINC001296212404 1064404567 /nfs/dbraw/zinc/40/45/67/1064404567.db2.gz YKEGRIQJXQHLDI-UHFFFAOYSA-N 1 0 450.697 2.607 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCCC[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001296212566 1064404594 /nfs/dbraw/zinc/40/45/94/1064404594.db2.gz ABYMENDCRSQJNO-RCZVLFRGSA-N 1 0 462.683 2.973 20 0 JFADRO CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001291833731 1064405028 /nfs/dbraw/zinc/40/50/28/1064405028.db2.gz OLYWBXDAZITNKF-TZIWHRDSSA-N 1 0 492.672 2.789 20 0 JFADRO CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2CCC[NH+]2CCCC2)CC1 ZINC001291833925 1064406537 /nfs/dbraw/zinc/40/65/37/1064406537.db2.gz QQGQOGKREREXJW-FQEVSTJZSA-N 1 0 471.625 2.607 20 0 JFADRO CCn1nc(-c2nnc(N(C)CCc3nccs3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296213478 1064409384 /nfs/dbraw/zinc/40/93/84/1064409384.db2.gz DMOIRRJAFCUSAC-INIZCTEOSA-N 1 0 466.615 2.760 20 0 JFADRO CCn1nc(-c2nnc(N(C)CCc3nccs3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296213479 1064409392 /nfs/dbraw/zinc/40/93/92/1064409392.db2.gz DMOIRRJAFCUSAC-MRXNPFEDSA-N 1 0 466.615 2.760 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCC(C(=O)N4CCCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001296213842 1064410642 /nfs/dbraw/zinc/41/06/42/1064410642.db2.gz KDHZACJNPZQDPZ-UHFFFAOYSA-N 1 0 473.710 2.832 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@H](C)CC[C@@H]3C)n2CCOCC[NH+](C)C)c2ccccc2c1=O ZINC001296215808 1064420061 /nfs/dbraw/zinc/42/00/61/1064420061.db2.gz FZMJMNPTISIWFK-MOPGFXCFSA-N 1 0 467.618 2.878 20 0 JFADRO CC[NH+]1CCN(CCCn2c(N3CCC[C@@H](CNC(=O)C(C)C)C3)nnc2C(C)(C)C)CC1 ZINC001296215958 1064420720 /nfs/dbraw/zinc/42/07/20/1064420720.db2.gz WFMWETNPVVUJQP-NRFANRHFSA-N 1 0 461.699 2.592 20 0 JFADRO CC[NH+]1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001296216050 1064421648 /nfs/dbraw/zinc/42/16/48/1064421648.db2.gz YYZQTEHYHCNGPM-HXUWFJFHSA-N 1 0 463.026 2.763 20 0 JFADRO CCn1nc(-c2nnc(N3C[C@@H](C)S[C@@H](C)C3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296216213 1064422320 /nfs/dbraw/zinc/42/23/20/1064422320.db2.gz IOJFXNHQTRRVGM-ZACQAIPSSA-N 1 0 455.632 2.955 20 0 JFADRO CC[C@@H](c1nnc(N(C)C[C@@H](C)C(=O)NC)n1CC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001291844780 1064449953 /nfs/dbraw/zinc/44/99/53/1064449953.db2.gz JEUUZJCUALBDBR-IFMALSPDSA-N 1 0 470.662 2.874 20 0 JFADRO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001296233087 1064474411 /nfs/dbraw/zinc/47/44/11/1064474411.db2.gz ZNRTWMQHJJJZRQ-PRBJRKOISA-N 1 0 452.599 2.559 20 0 JFADRO CC[C@H](c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC001291864427 1064476619 /nfs/dbraw/zinc/47/66/19/1064476619.db2.gz UIRXTGAPRVCONG-URXFXBBRSA-N 1 0 481.689 2.808 20 0 JFADRO CC[C@H](c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](C)N1CCOCC1)c1ccccc1 ZINC001291870417 1064482939 /nfs/dbraw/zinc/48/29/39/1064482939.db2.gz VFRZKFVNASPIGI-RDPSFJRHSA-N 1 0 468.646 2.893 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001296241240 1064494742 /nfs/dbraw/zinc/49/47/42/1064494742.db2.gz FWJJRDZBIWNQLM-NHCUHLMSSA-N 1 0 461.699 2.634 20 0 JFADRO CC[C@H](c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291878082 1064499788 /nfs/dbraw/zinc/49/97/88/1064499788.db2.gz VUSXFGJBQVKNAX-SFTDATJTSA-N 1 0 454.619 2.633 20 0 JFADRO CC[C@@H](c1nnc(N2CCC[C@H](C(=O)NC)C2)n1CC[NH+]1CCSCC1)c1ccccc1 ZINC001291878135 1064499850 /nfs/dbraw/zinc/49/98/50/1064499850.db2.gz WNCUCRLXPZYTEH-LEWJYISDSA-N 1 0 456.660 2.831 20 0 JFADRO CC[C@H](c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC001291887990 1064510753 /nfs/dbraw/zinc/51/07/53/1064510753.db2.gz MCJMILUXFMDWGP-UGKGYDQZSA-N 1 0 474.675 2.774 20 0 JFADRO CCNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001296249284 1064511316 /nfs/dbraw/zinc/51/13/16/1064511316.db2.gz KVGIXJGQVMTZQR-UHFFFAOYSA-N 1 0 458.607 2.558 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@](C)(O)CC)c1ccccc1 ZINC001291889144 1064513506 /nfs/dbraw/zinc/51/35/06/1064513506.db2.gz RNCJWXFTAHKRRG-UFPGJGBJSA-N 1 0 468.646 2.724 20 0 JFADRO CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@](C)(O)CC)c1ccccc1 ZINC001291889145 1064514230 /nfs/dbraw/zinc/51/42/30/1064514230.db2.gz RNCJWXFTAHKRRG-XLGIIRLISA-N 1 0 468.646 2.724 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291890663 1064516162 /nfs/dbraw/zinc/51/61/62/1064516162.db2.gz CNUPSSGUVOSTRS-UPVQGACJSA-N 1 0 481.689 2.762 20 0 JFADRO CC[C@H](c1nnc(N2CCN(C(=O)COC)CC2)n1C[C@@]1([NH+](C)C)CCSC1)c1ccccc1 ZINC001291890964 1064516338 /nfs/dbraw/zinc/51/63/38/1064516338.db2.gz ZDNVYQTUIWWRDJ-OFVILXPXSA-N 1 0 486.686 2.552 20 0 JFADRO CC[C@H](c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC(=O)NC(C)C)c1ccccc1 ZINC001291891142 1064516529 /nfs/dbraw/zinc/51/65/29/1064516529.db2.gz DCYPTCMXRKYWHN-QFIPXVFZSA-N 1 0 454.619 2.646 20 0 JFADRO CC[C@H](c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1C[C@H](C)[NH+](C)C)c1ccccc1 ZINC001291891292 1064517064 /nfs/dbraw/zinc/51/70/64/1064517064.db2.gz FCGIUYFUNYEGMJ-FPOVZHCZSA-N 1 0 476.629 2.591 20 0 JFADRO C[C@H](C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001296257007 1064521950 /nfs/dbraw/zinc/52/19/50/1064521950.db2.gz IIKYTCUOYAPLRI-KRWDZBQOSA-N 1 0 459.612 2.808 20 0 JFADRO CC[C@H](c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1CC[N@H+](C)C(C)C)c1ccccc1 ZINC001291893368 1064522097 /nfs/dbraw/zinc/52/20/97/1064522097.db2.gz QYNBOMTWXMUKBZ-QFIPXVFZSA-N 1 0 464.618 2.747 20 0 JFADRO CC[C@H](c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1CC[NH+]1CCCCC1)c1ccccc1 ZINC001291894749 1064524725 /nfs/dbraw/zinc/52/47/25/1064524725.db2.gz YWLNBPSPZJUOJW-DEOSSOPVSA-N 1 0 481.689 2.953 20 0 JFADRO CC[C@@H](c1nnc(N2CCS(=O)CC2)n1C[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC001291900924 1064531663 /nfs/dbraw/zinc/53/16/63/1064531663.db2.gz KIQYSRNFUQKDBK-FYYLOGMGSA-N 1 0 472.703 2.662 20 0 JFADRO CC[C@H](c1nnc(N2C[C@@H](CC(=O)OC)[C@H](O)C2)n1C[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC001291902063 1064532874 /nfs/dbraw/zinc/53/28/74/1064532874.db2.gz AZSAGWNIPAUBCD-FCJDFRRUSA-N 1 0 469.630 2.912 20 0 JFADRO CCNC(=O)C1(Cn2c(COc3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CCC1 ZINC001296267493 1064533803 /nfs/dbraw/zinc/53/38/03/1064533803.db2.gz ISTOVYRMKCPWTC-LJQANCHMSA-N 1 0 470.618 2.703 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC([NH2+]C(C)C)CC2)cc1 ZINC001296269659 1064536892 /nfs/dbraw/zinc/53/68/92/1064536892.db2.gz AZRMXNFCPGFCAP-UHFFFAOYSA-N 1 0 490.612 2.690 20 0 JFADRO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001296269553 1064536935 /nfs/dbraw/zinc/53/69/35/1064536935.db2.gz YOMQZRUPHFCEAL-NRFANRHFSA-N 1 0 456.587 2.855 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC001296270114 1064538492 /nfs/dbraw/zinc/53/84/92/1064538492.db2.gz KZJUPZVGYHDCOL-XMSQKQJNSA-N 1 0 481.645 2.667 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC001296270112 1064538583 /nfs/dbraw/zinc/53/85/83/1064538583.db2.gz KZJUPZVGYHDCOL-GCJKJVERSA-N 1 0 481.645 2.667 20 0 JFADRO CCNC(=O)c1ccc(Cn2c(CC(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC001296272725 1064541592 /nfs/dbraw/zinc/54/15/92/1064541592.db2.gz JUNCUXANKLQHQJ-FQEVSTJZSA-N 1 0 468.646 2.964 20 0 JFADRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001296279792 1064550196 /nfs/dbraw/zinc/55/01/96/1064550196.db2.gz HJKOTQFNUCEAKS-RPWUZVMVSA-N 1 0 451.567 2.918 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC001296283113 1064554679 /nfs/dbraw/zinc/55/46/79/1064554679.db2.gz KMEXFANSDZHJRJ-DENIHFKCSA-N 1 0 487.718 2.978 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC001296283615 1064555218 /nfs/dbraw/zinc/55/52/18/1064555218.db2.gz NCVDLUHLFQHETE-UHFFFAOYSA-N 1 0 469.678 2.722 20 0 JFADRO CCNC(=O)c1cccc(Cn2c(COCC)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC001296284296 1064556406 /nfs/dbraw/zinc/55/64/06/1064556406.db2.gz WJHNVLSKADDNHH-NRFANRHFSA-N 1 0 454.619 2.925 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001296286785 1064558548 /nfs/dbraw/zinc/55/85/48/1064558548.db2.gz OBRSAEBKZPHTML-NVQXNPDNSA-N 1 0 499.729 2.515 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296287251 1064559595 /nfs/dbraw/zinc/55/95/95/1064559595.db2.gz SGOBKGFRTDJXFI-ISKFKSNPSA-N 1 0 481.689 2.810 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296288016 1064560400 /nfs/dbraw/zinc/56/04/00/1064560400.db2.gz DXKRSMSMGMVHDR-HXUWFJFHSA-N 1 0 471.650 2.617 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001296288530 1064561672 /nfs/dbraw/zinc/56/16/72/1064561672.db2.gz KXHLYYWGXFIIHZ-NRFANRHFSA-N 1 0 474.053 2.731 20 0 JFADRO CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)[NH+](C)C ZINC001291950857 1064562157 /nfs/dbraw/zinc/56/21/57/1064562157.db2.gz CZRFBDBUYCEBOA-VXKWHMMOSA-N 1 0 486.665 2.675 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1)[NH+](C)C ZINC001291950858 1064562437 /nfs/dbraw/zinc/56/24/37/1064562437.db2.gz CZRFBDBUYCEBOA-YADHBBJMSA-N 1 0 486.665 2.675 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+]1CCOCC1 ZINC001291951535 1064563230 /nfs/dbraw/zinc/56/32/30/1064563230.db2.gz GGKCIYOAJCNGDJ-JOCHJYFZSA-N 1 0 475.682 2.923 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)C1)[NH+]1CCOCC1 ZINC001291951739 1064563681 /nfs/dbraw/zinc/56/36/81/1064563681.db2.gz FNBSDCLQLLQAMK-FQEVSTJZSA-N 1 0 461.010 2.672 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)CC1)[NH+]1CCOCC1 ZINC001291953106 1064565769 /nfs/dbraw/zinc/56/57/69/1064565769.db2.gz LXSRDLGGGOSMPX-NRFANRHFSA-N 1 0 458.607 2.652 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001291954550 1064567889 /nfs/dbraw/zinc/56/78/89/1064567889.db2.gz RQMXXMXHEZKJQM-UYAOXDASSA-N 1 0 458.607 2.650 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(=O)N(C)C[C@@H]1C)[NH+](C)C ZINC001291954883 1064568928 /nfs/dbraw/zinc/56/89/28/1064568928.db2.gz SFWRQMFFMLCUGL-HTAPYJJXSA-N 1 0 472.634 2.996 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1)[NH+](C)C ZINC001291955105 1064569584 /nfs/dbraw/zinc/56/95/84/1064569584.db2.gz XGFBQRDOTTYBHT-JOCHJYFZSA-N 1 0 460.598 2.820 20 0 JFADRO CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1)[NH+](C)C ZINC001291955332 1064569697 /nfs/dbraw/zinc/56/96/97/1064569697.db2.gz YLSASBDHXGSNMK-HXUWFJFHSA-N 1 0 485.633 2.678 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001296294370 1064570319 /nfs/dbraw/zinc/57/03/19/1064570319.db2.gz IZPXVUXXPOOCHB-OAQYLSRUSA-N 1 0 499.660 2.631 20 0 JFADRO CCC(CC)[C@@H](CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC001291956308 1064571333 /nfs/dbraw/zinc/57/13/33/1064571333.db2.gz QWNYOGOAIYGJEV-DHIUTWEWSA-N 1 0 485.677 2.868 20 0 JFADRO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001296295907 1064572540 /nfs/dbraw/zinc/57/25/40/1064572540.db2.gz SHGSYCLVCJHWOF-OAQYLSRUSA-N 1 0 499.679 2.777 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+](C)C ZINC001291961338 1064573760 /nfs/dbraw/zinc/57/37/60/1064573760.db2.gz HKUPJLVVKULYPR-APWZRJJASA-N 1 0 456.591 2.707 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1cnccn1)[NH+]1CCOCC1 ZINC001291961335 1064573829 /nfs/dbraw/zinc/57/38/29/1064573829.db2.gz HDZAGGCUPYIRTJ-QFIPXVFZSA-N 1 0 450.591 2.904 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)OC)CC1)[NH+]1CCOCC1 ZINC001291961890 1064575149 /nfs/dbraw/zinc/57/51/49/1064575149.db2.gz OHXJEJCKVUPEPI-JOCHJYFZSA-N 1 0 470.618 2.867 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291962202 1064575566 /nfs/dbraw/zinc/57/55/66/1064575566.db2.gz ABSAIWLCPBVNID-RTWAWAEBSA-N 1 0 456.639 2.713 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1)[NH+](C)C ZINC001291962334 1064575624 /nfs/dbraw/zinc/57/56/24/1064575624.db2.gz FNNQXSRAYMCRHU-QFIPXVFZSA-N 1 0 497.648 2.740 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1)[NH+](C)C ZINC001291962954 1064576256 /nfs/dbraw/zinc/57/62/56/1064576256.db2.gz IBQOINSKINLRAV-OAQYLSRUSA-N 1 0 456.639 2.796 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)NC)CC1)[NH+]1CCOCC1 ZINC001291962979 1064576364 /nfs/dbraw/zinc/57/63/64/1064576364.db2.gz RCYRTMWSRLQIML-QHCPKHFHSA-N 1 0 485.677 2.773 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC001291963669 1064577231 /nfs/dbraw/zinc/57/72/31/1064577231.db2.gz DDVHHHJIQXQMCR-LRYHZEFKSA-N 1 0 489.665 2.699 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1c(C)nn(C)c1C)[NH+]1CCOCC1 ZINC001291963943 1064577656 /nfs/dbraw/zinc/57/76/56/1064577656.db2.gz LKDAVRPGCCSROZ-HSZRJFAPSA-N 1 0 483.665 2.802 20 0 JFADRO CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1)[NH+]1CCOCC1 ZINC001291963906 1064577679 /nfs/dbraw/zinc/57/76/79/1064577679.db2.gz KYLHSTGYGOEBLG-RXVVDRJESA-N 1 0 459.639 2.819 20 0 JFADRO CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCN(CC)C(=O)C1)[NH+]1CCOCC1 ZINC001291964966 1064578023 /nfs/dbraw/zinc/57/80/23/1064578023.db2.gz NPZAQZWRYFCAEX-HSZRJFAPSA-N 1 0 483.661 2.844 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+]1CCOCC1 ZINC001291966336 1064580028 /nfs/dbraw/zinc/58/00/28/1064580028.db2.gz AUGROABSJRQTAX-BHDDXSALSA-N 1 0 460.667 2.671 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21)[NH+](C)C ZINC001291966390 1064580071 /nfs/dbraw/zinc/58/00/71/1064580071.db2.gz BZVJNLLZTQSJCQ-CZYKHXBRSA-N 1 0 496.722 2.746 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21)[NH+](C)C ZINC001291966391 1064580136 /nfs/dbraw/zinc/58/01/36/1064580136.db2.gz BZVJNLLZTQSJCQ-LRSLUSHPSA-N 1 0 496.722 2.746 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC001291966880 1064581221 /nfs/dbraw/zinc/58/12/21/1064581221.db2.gz FIJZGGPCLQQXQZ-XQBPLPMBSA-N 1 0 470.618 2.859 20 0 JFADRO CCC(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccs2)CC1)[NH+](C)C ZINC001291966972 1064581506 /nfs/dbraw/zinc/58/15/06/1064581506.db2.gz LTHDXTYBSZPFEZ-RTBURBONSA-N 1 0 474.679 2.769 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC001296302505 1064582498 /nfs/dbraw/zinc/58/24/98/1064582498.db2.gz UKGPDLCTSLBUEO-FQEVSTJZSA-N 1 0 463.671 2.564 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001291967807 1064583144 /nfs/dbraw/zinc/58/31/44/1064583144.db2.gz MKRBQRIYCSWZEH-NRFANRHFSA-N 1 0 489.709 2.504 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001296303196 1064583601 /nfs/dbraw/zinc/58/36/01/1064583601.db2.gz UWRZMRLRUIAEMO-LJQANCHMSA-N 1 0 490.450 2.899 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1)[NH+]1CCOCC1 ZINC001291968538 1064584825 /nfs/dbraw/zinc/58/48/25/1064584825.db2.gz QJYWHLFDYVGDIA-OAQYLSRUSA-N 1 0 462.683 2.966 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)[NH+](C)C ZINC001291968520 1064584872 /nfs/dbraw/zinc/58/48/72/1064584872.db2.gz QFGIMZXKMMOCSQ-RTBURBONSA-N 1 0 473.670 2.765 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)[NH+](C)C ZINC001291969084 1064585044 /nfs/dbraw/zinc/58/50/44/1064585044.db2.gz YCYXCUHOGXYHNW-ZCNNSNEGSA-N 1 0 455.669 2.552 20 0 JFADRO CCC(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1)[NH+]1CCOCC1 ZINC001291969958 1064585839 /nfs/dbraw/zinc/58/58/39/1064585839.db2.gz YJEQYCVMGBSJIG-QFIPXVFZSA-N 1 0 485.677 2.660 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@@H](C)C1)[NH+](C)C ZINC001291969712 1064586112 /nfs/dbraw/zinc/58/61/12/1064586112.db2.gz YBCZAIKMFSJZTL-JFRXWTBNSA-N 1 0 457.710 2.877 20 0 JFADRO CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1)[NH+](C)C ZINC001291970144 1064586355 /nfs/dbraw/zinc/58/63/55/1064586355.db2.gz ZWEYDCMUZVBABI-QYZOEREBSA-N 1 0 496.703 2.581 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1)[NH+](C)C ZINC001291973035 1064587573 /nfs/dbraw/zinc/58/75/73/1064587573.db2.gz DVIQETLGVMJRLY-QFIPXVFZSA-N 1 0 482.677 2.791 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC001291973331 1064587861 /nfs/dbraw/zinc/58/78/61/1064587861.db2.gz GLSKCGDUMGAGQC-RTBURBONSA-N 1 0 453.678 2.920 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCC(=O)N2)C1)[NH+](C)C ZINC001291973666 1064588681 /nfs/dbraw/zinc/58/86/81/1064588681.db2.gz IXKALCURTZEFIT-WMZHIEFXSA-N 1 0 459.664 2.859 20 0 JFADRO CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C)[NH+]1CCOCC1 ZINC001291974347 1064588929 /nfs/dbraw/zinc/58/89/29/1064588929.db2.gz MRQDFHZNIYMHRX-QPPBQGQZSA-N 1 0 482.673 2.867 20 0 JFADRO CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C)[NH+]1CCOCC1 ZINC001291974351 1064589244 /nfs/dbraw/zinc/58/92/44/1064589244.db2.gz MRQDFHZNIYMHRX-XUZZJYLKSA-N 1 0 482.673 2.867 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001296308307 1064589264 /nfs/dbraw/zinc/58/92/64/1064589264.db2.gz WTKDVJZYZNXSQR-CQSZACIVSA-N 1 0 482.402 2.648 20 0 JFADRO CCC(CC)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291975485 1064590000 /nfs/dbraw/zinc/59/00/00/1064590000.db2.gz UNUKGAGHRIIGKQ-HSZRJFAPSA-N 1 0 465.650 2.690 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+](C)C2CCCCC2)CC1 ZINC001296309536 1064590258 /nfs/dbraw/zinc/59/02/58/1064590258.db2.gz DSDHMNBZOGLSNC-UHFFFAOYSA-N 1 0 454.623 2.846 20 0 JFADRO CCC(CC)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1)[NH+](C)C ZINC001291975486 1064590515 /nfs/dbraw/zinc/59/05/15/1064590515.db2.gz UNUKGAGHRIIGKQ-QHCPKHFHSA-N 1 0 465.650 2.690 20 0 JFADRO CCC(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC001291975573 1064590532 /nfs/dbraw/zinc/59/05/32/1064590532.db2.gz VYCZCMCUXMZYKW-FQEVSTJZSA-N 1 0 491.681 2.824 20 0 JFADRO CCC(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)[NH+](C)C ZINC001291975638 1064590855 /nfs/dbraw/zinc/59/08/55/1064590855.db2.gz WVJCEQLHUQOMLB-IRLDBZIGSA-N 1 0 469.634 2.746 20 0 JFADRO CCC(CC)c1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]([NH+]3CCCC3)C2)on1 ZINC001291976214 1064592211 /nfs/dbraw/zinc/59/22/11/1064592211.db2.gz DTPOAQMPIUTQAW-MJGOQNOKSA-N 1 0 493.678 2.893 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001296312299 1064592742 /nfs/dbraw/zinc/59/27/42/1064592742.db2.gz XMDVEEOSDUWWNX-LJQANCHMSA-N 1 0 455.607 2.680 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001296312745 1064592937 /nfs/dbraw/zinc/59/29/37/1064592937.db2.gz YIFMRPVLFXDRTM-OAQYLSRUSA-N 1 0 466.565 2.634 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001296315658 1064595194 /nfs/dbraw/zinc/59/51/94/1064595194.db2.gz GEHJQXIITXJBDC-UHFFFAOYSA-N 1 0 475.588 2.731 20 0 JFADRO CCNC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC001296316062 1064595854 /nfs/dbraw/zinc/59/58/54/1064595854.db2.gz YGVQGLVEPBOWMQ-LEWJYISDSA-N 1 0 473.597 2.813 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(CC)n2CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC001296316387 1064597462 /nfs/dbraw/zinc/59/74/62/1064597462.db2.gz WTAGHZHWFDYTJF-RBBKRZOGSA-N 1 0 453.635 2.993 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C2CCC3(CC2)OCCO3)n1CC(C)(C)C[NH+](C)C ZINC001291986506 1064598633 /nfs/dbraw/zinc/59/86/33/1064598633.db2.gz PXGDJEQYFKHQQQ-UHFFFAOYSA-N 1 0 464.655 2.906 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001296317280 1064599051 /nfs/dbraw/zinc/59/90/51/1064599051.db2.gz AESOZPVWKSVYDM-OAQYLSRUSA-N 1 0 471.650 2.993 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC001296317415 1064599856 /nfs/dbraw/zinc/59/98/56/1064599856.db2.gz OEWHZWQHTCPLSE-OAQYLSRUSA-N 1 0 476.629 2.636 20 0 JFADRO CCNC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001296324197 1064607387 /nfs/dbraw/zinc/60/73/87/1064607387.db2.gz FGRIPIPCYFWKPY-UHFFFAOYSA-N 1 0 469.634 2.891 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC[N@@H+]2CCC[C@H]2C)C1 ZINC001296324788 1064612143 /nfs/dbraw/zinc/61/21/43/1064612143.db2.gz CBRMINKQEBCIOA-GUDVDZBRSA-N 1 0 494.637 2.560 20 0 JFADRO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)CC)n2CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC001296326150 1064619991 /nfs/dbraw/zinc/61/99/91/1064619991.db2.gz KOQDVUXCVHWUPO-TZIWHRDSSA-N 1 0 496.722 2.733 20 0 JFADRO CC[NH+]1CCC(CNC(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)CC1 ZINC001292006490 1064625465 /nfs/dbraw/zinc/62/54/65/1064625465.db2.gz OZNRXPNYMLKEJO-HNNXBMFYSA-N 1 0 456.538 2.859 20 0 JFADRO CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)C[NH+]2CCCC2)C1 ZINC001296330417 1064630466 /nfs/dbraw/zinc/63/04/66/1064630466.db2.gz TYOOBKWJLDFXNG-WMZOPIPTSA-N 1 0 499.056 2.988 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N(C)C[C@H]2CCCO2)n1CC[N@@H+]1CCc2ccccc2C1 ZINC001292008800 1064631247 /nfs/dbraw/zinc/63/12/47/1064631247.db2.gz PUXZBZSIOSMXIC-JOCHJYFZSA-N 1 0 454.619 2.870 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1(CC)CC1 ZINC001292016183 1064648534 /nfs/dbraw/zinc/64/85/34/1064648534.db2.gz DDOABSWIYACRIY-UGKGYDQZSA-N 1 0 487.693 2.766 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001292016616 1064650180 /nfs/dbraw/zinc/65/01/80/1064650180.db2.gz HDBMIQKTLBRHMY-YDHSSHFGSA-N 1 0 468.646 2.904 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1C[C@@H](c1ccccc1)[NH+](C)C ZINC001292018727 1064654739 /nfs/dbraw/zinc/65/47/39/1064654739.db2.gz YIXOGHBBFFMDDC-OYDLWJJNSA-N 1 0 497.688 2.656 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@H]1CCn2ccnc2C1 ZINC001292019386 1064657672 /nfs/dbraw/zinc/65/76/72/1064657672.db2.gz FBMFXSIGZJSBPQ-OTWHNJEPSA-N 1 0 456.639 2.575 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001292020859 1064660957 /nfs/dbraw/zinc/66/09/57/1064660957.db2.gz HTKJKAMMHOJKKN-OHUGHZGNSA-N 1 0 476.666 2.703 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292022818 1064665802 /nfs/dbraw/zinc/66/58/02/1064665802.db2.gz MBATYWSNGJFRRT-GBESFXJTSA-N 1 0 465.712 2.553 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CC[N@H+](C)Cc1ccccc1 ZINC001292024742 1064674043 /nfs/dbraw/zinc/67/40/43/1064674043.db2.gz SZEJFHJXAUUXTK-IBVKSMDESA-N 1 0 484.645 2.713 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292025406 1064676057 /nfs/dbraw/zinc/67/60/57/1064676057.db2.gz IIKHBOJFVYZRBQ-NRFANRHFSA-N 1 0 490.693 2.563 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCCn1ccnc1C ZINC001292029700 1064683228 /nfs/dbraw/zinc/68/32/28/1064683228.db2.gz DYEZXTWAUPYFRM-NQIIRXRSSA-N 1 0 456.639 2.855 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001292035611 1064697605 /nfs/dbraw/zinc/69/76/05/1064697605.db2.gz HUJVAIFDHMYNNQ-IQGLISFBSA-N 1 0 475.682 2.669 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)NC)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001292035610 1064697633 /nfs/dbraw/zinc/69/76/33/1064697633.db2.gz HUJVAIFDHMYNNQ-CJAUYULYSA-N 1 0 475.682 2.669 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001292037514 1064702997 /nfs/dbraw/zinc/70/29/97/1064702997.db2.gz XXDGQCFDRZXFGC-UHFFFAOYSA-N 1 0 462.639 2.850 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1CC[NH+]1CCCCC1 ZINC001292040287 1064704246 /nfs/dbraw/zinc/70/42/46/1064704246.db2.gz CKFFJBYKLYCVKO-UHFFFAOYSA-N 1 0 472.638 2.932 20 0 JFADRO CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC001292044719 1064710392 /nfs/dbraw/zinc/71/03/92/1064710392.db2.gz LBDVUVNCWHIRCV-UHFFFAOYSA-N 1 0 456.612 2.650 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001292053900 1064719470 /nfs/dbraw/zinc/71/94/70/1064719470.db2.gz UMYUDWBJBBNKMB-DVECYGJZSA-N 1 0 478.707 2.887 20 0 JFADRO 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CCC(CC)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292145275 1064919055 /nfs/dbraw/zinc/91/90/55/1064919055.db2.gz SZDFLSSHMZBEIN-NNWRFLSQSA-N 1 0 476.666 2.701 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3nc(C)cs3)C2)n1C[C@H]1CC[N@H+](CC)C1 ZINC001292145953 1064922725 /nfs/dbraw/zinc/92/27/25/1064922725.db2.gz YODBNAGGFKCIDY-PKOBYXMFSA-N 1 0 475.663 2.881 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001292147076 1064925151 /nfs/dbraw/zinc/92/51/51/1064925151.db2.gz JODDBCWGBXVJSV-IAGOWNOFSA-N 1 0 452.669 2.638 20 0 JFADRO C[N@@H+](Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNC(N)=O)cc1 ZINC001292150383 1064927798 /nfs/dbraw/zinc/92/77/98/1064927798.db2.gz KAXBTPCZUDNXFF-FQEVSTJZSA-N 1 0 455.559 2.819 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001292150439 1064927828 /nfs/dbraw/zinc/92/78/28/1064927828.db2.gz BOVQYBIBGOHFPW-NSHGMRRFSA-N 1 0 489.665 2.642 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C1CC1)[NH+](C)C ZINC001292154296 1064933848 /nfs/dbraw/zinc/93/38/48/1064933848.db2.gz UTUFYEVWYHNPED-RBUKOAKNSA-N 1 0 477.654 2.640 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1C[C@@](C)(O)CC ZINC001292154526 1064934597 /nfs/dbraw/zinc/93/45/97/1064934597.db2.gz DRMGGMUGDGXZIA-UZINWLIJSA-N 1 0 468.646 2.926 20 0 JFADRO CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)Oc1ccccc1F ZINC001292160617 1064943477 /nfs/dbraw/zinc/94/34/77/1064943477.db2.gz RJCUMTNHSSCDJW-WOJBJXKFSA-N 1 0 488.608 2.668 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292162280 1064947386 /nfs/dbraw/zinc/94/73/86/1064947386.db2.gz KEKIZQIABIBGQA-RTBURBONSA-N 1 0 477.654 2.736 20 0 JFADRO CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292163678 1064949507 /nfs/dbraw/zinc/94/95/07/1064949507.db2.gz NMUNBLUYYCHANZ-PMACEKPBSA-N 1 0 491.681 2.984 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292165642 1064950719 /nfs/dbraw/zinc/95/07/19/1064950719.db2.gz ONXGTIRLHUGJBB-UHFFFAOYSA-N 1 0 490.693 2.971 20 0 JFADRO CC[C@H](Cn1c(C(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001292164874 1064951486 /nfs/dbraw/zinc/95/14/86/1064951486.db2.gz VTFTWARDGWYLAR-FGZHOGPDSA-N 1 0 453.635 2.625 20 0 JFADRO CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](O)(c2ccccc2F)C1)[NH+]1CCCC1 ZINC001292165477 1064952229 /nfs/dbraw/zinc/95/22/29/1064952229.db2.gz VNLFLLRWXIUUOX-KOSHJBKYSA-N 1 0 458.582 2.528 20 0 JFADRO CCC(CC)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1C[C@@H](CC(C)C)[NH+](C)C ZINC001292168608 1064955160 /nfs/dbraw/zinc/95/51/60/1064955160.db2.gz ZRVIRVOOAJGKEK-DRMXPCRNSA-N 1 0 464.655 2.557 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cccc(F)c2)C1)[NH+]1CCCC1 ZINC001292170811 1064956458 /nfs/dbraw/zinc/95/64/58/1064956458.db2.gz DSKAETSCRWGAGZ-FBBABVLZSA-N 1 0 478.638 2.896 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC001292172400 1064959807 /nfs/dbraw/zinc/95/98/07/1064959807.db2.gz KDIZLLBDCBBCKK-SYYKKAFVSA-N 1 0 492.665 2.971 20 0 JFADRO CC[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)=O)C[C@@H]1C)[NH+]1CCCC1 ZINC001292172660 1064960305 /nfs/dbraw/zinc/96/03/05/1064960305.db2.gz BOBVRPRXZQYEIM-LPHOPBHVSA-N 1 0 492.466 2.978 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292173179 1064961196 /nfs/dbraw/zinc/96/11/96/1064961196.db2.gz PCUWVSVHTYFPIP-TXTKFYIRSA-N 1 0 484.645 2.506 20 0 JFADRO CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292173590 1064962178 /nfs/dbraw/zinc/96/21/78/1064962178.db2.gz NNDWZFRLVYKJOE-WAOWUJCRSA-N 1 0 460.648 2.571 20 0 JFADRO CC[C@H](Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001292173844 1064962577 /nfs/dbraw/zinc/96/25/77/1064962577.db2.gz SZDZBHCVMWZQJY-VEXUSMLFSA-N 1 0 468.646 2.791 20 0 JFADRO CC[C@H](Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001292173843 1064962716 /nfs/dbraw/zinc/96/27/16/1064962716.db2.gz SZDZBHCVMWZQJY-CTUHWIOQSA-N 1 0 468.646 2.791 20 0 JFADRO CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC001292176169 1064966430 /nfs/dbraw/zinc/96/64/30/1064966430.db2.gz WZGAUOSBLHQBCI-BBTUJRGHSA-N 1 0 460.648 2.714 20 0 JFADRO CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1)[NH+]1CCCC1 ZINC001292176660 1064967379 /nfs/dbraw/zinc/96/73/79/1064967379.db2.gz ZJAMKGIGFOFHPA-AEFFLSMTSA-N 1 0 481.066 2.979 20 0 JFADRO CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(Cl)cccc2C1)[NH+]1CCCC1 ZINC001292176664 1064967435 /nfs/dbraw/zinc/96/74/35/1064967435.db2.gz ZJAMKGIGFOFHPA-WMZOPIPTSA-N 1 0 481.066 2.979 20 0 JFADRO CC[C@H](Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)(=O)CC1)[NH+]1CCCC1 ZINC001292186403 1064977906 /nfs/dbraw/zinc/97/79/06/1064977906.db2.gz UUBMOLKOKIOXDU-CQSZACIVSA-N 1 0 488.477 2.878 20 0 JFADRO CC[C@@H](Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[NH+](CC2CCOCC2)CC1)OC ZINC001292190467 1064981491 /nfs/dbraw/zinc/98/14/91/1064981491.db2.gz BXEYGNKWOIEHIW-FQEVSTJZSA-N 1 0 473.618 2.936 20 0 JFADRO CC[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(=O)NC)C1)[NH+]1CCCC1 ZINC001292194740 1064986669 /nfs/dbraw/zinc/98/66/69/1064986669.db2.gz DHZPESQIDLZWPY-APWZRJJASA-N 1 0 491.434 2.533 20 0 JFADRO CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1)[NH+]1CCCC1 ZINC001292207465 1064995929 /nfs/dbraw/zinc/99/59/29/1064995929.db2.gz LHKYJNHISIPDHG-AEFFLSMTSA-N 1 0 454.545 2.626 20 0 JFADRO CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1)Oc1cccc(F)c1 ZINC001292208924 1064998394 /nfs/dbraw/zinc/99/83/94/1064998394.db2.gz RETZGVDGEFWSIA-QUCCMNQESA-N 1 0 469.565 2.889 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC001292209016 1064998943 /nfs/dbraw/zinc/99/89/43/1064998943.db2.gz HIXJKULWMPDQRL-HAGHYFMRSA-N 1 0 489.665 2.843 20 0 JFADRO CC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1)OC ZINC001292210585 1065000674 /nfs/dbraw/zinc/00/06/74/1065000674.db2.gz DZFMXPSJYATMEA-GGAORHGYSA-N 1 0 450.587 2.929 20 0 JFADRO CC[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)OC ZINC001292212785 1065003168 /nfs/dbraw/zinc/00/31/68/1065003168.db2.gz WLZTXKYQQLQKGQ-KZNAEPCWSA-N 1 0 453.591 2.536 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[N@H+](CCOC)[C@@H](CC)C1)OC ZINC001292222669 1065009137 /nfs/dbraw/zinc/00/91/37/1065009137.db2.gz GAKNMJAOTQYRSM-JQVVWYNYSA-N 1 0 459.591 2.763 20 0 JFADRO CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)c1ccc(C)cc1)[NH+]1CCCC1 ZINC001292222614 1065009226 /nfs/dbraw/zinc/00/92/26/1065009226.db2.gz FBBFSLNCTUXGQP-TZIWHRDSSA-N 1 0 476.647 2.562 20 0 JFADRO CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001292226143 1065013573 /nfs/dbraw/zinc/01/35/73/1065013573.db2.gz UOGVJYRXZUEVNQ-AQNXPRMDSA-N 1 0 478.638 2.686 20 0 JFADRO CC[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnc(C(C)C)nc1)[NH+]1CCCC1 ZINC001292227570 1065015468 /nfs/dbraw/zinc/01/54/68/1065015468.db2.gz YKUNBMXHKFSOEX-PMACEKPBSA-N 1 0 475.663 2.604 20 0 JFADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1)[NH+]1CCCC1 ZINC001292229473 1065016577 /nfs/dbraw/zinc/01/65/77/1065016577.db2.gz KIKLZOOTYGEWPE-FQEVSTJZSA-N 1 0 456.639 2.785 20 0 JFADRO CC[C@@H](Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1)[N@@H+]1CCc2ccccc2C1 ZINC001292229798 1065016858 /nfs/dbraw/zinc/01/68/58/1065016858.db2.gz HOJFOSVUIISZTQ-ZEQRLZLVSA-N 1 0 468.646 2.655 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CCC(NS(=O)(=O)CC)CC1)[NH+]1CCCC1 ZINC001292231823 1065018496 /nfs/dbraw/zinc/01/84/96/1065018496.db2.gz VHPZZPOMVGPDKT-NRFANRHFSA-N 1 0 492.665 2.791 20 0 JFADRO CC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292239231 1065023460 /nfs/dbraw/zinc/02/34/60/1065023460.db2.gz LANNXFAHRNFSPY-OALUTQOASA-N 1 0 451.662 2.818 20 0 JFADRO CC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001292242750 1065025235 /nfs/dbraw/zinc/02/52/35/1065025235.db2.gz XWELWSXSSRGVTM-HXUWFJFHSA-N 1 0 480.704 2.570 20 0 JFADRO CC[C@H](Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC001292245333 1065028572 /nfs/dbraw/zinc/02/85/72/1065028572.db2.gz YLBQCJZICVXDKR-HSZRJFAPSA-N 1 0 455.651 2.684 20 0 JFADRO CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1)[NH+]1CCCC1 ZINC001292247953 1065030858 /nfs/dbraw/zinc/03/08/58/1065030858.db2.gz MWZHUVWWHSIUEW-IRLDBZIGSA-N 1 0 487.693 2.652 20 0 JFADRO CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)c(O)c1)[NH+]1CCCC1 ZINC001292247982 1065030892 /nfs/dbraw/zinc/03/08/92/1065030892.db2.gz NBIBLNJOETVUDH-LJQANCHMSA-N 1 0 456.591 2.626 20 0 JFADRO CC[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001292252219 1065034501 /nfs/dbraw/zinc/03/45/01/1065034501.db2.gz OPOXEVRVMJCJOQ-CTNGQTDRSA-N 1 0 461.632 2.663 20 0 JFADRO CC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCCC1 ZINC001292255873 1065038589 /nfs/dbraw/zinc/03/85/89/1065038589.db2.gz RIQYQULSTCXXLV-QUCCMNQESA-N 1 0 458.582 2.962 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCCC1 ZINC001292255869 1065038616 /nfs/dbraw/zinc/03/86/16/1065038616.db2.gz RIQYQULSTCXXLV-AZUAARDMSA-N 1 0 458.582 2.962 20 0 JFADRO CC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1)[NH+]1CCCC1 ZINC001292257127 1065039169 /nfs/dbraw/zinc/03/91/69/1065039169.db2.gz VUHBDVGQDZJQMA-YFVAEKQCSA-N 1 0 492.020 2.745 20 0 JFADRO CC[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1)OC ZINC001292262812 1065041876 /nfs/dbraw/zinc/04/18/76/1065041876.db2.gz SNBSMBJOELIANL-KCZVDYSFSA-N 1 0 478.682 2.612 20 0 JFADRO CCC(O)(CC)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001292271650 1065048932 /nfs/dbraw/zinc/04/89/32/1065048932.db2.gz GEXDNRIIHPQTRR-IEBWSBKVSA-N 1 0 461.632 2.573 20 0 JFADRO COc1cc2nc(C(=O)NC[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c(=O)n(C)c2cc1OC ZINC001292274600 1065051934 /nfs/dbraw/zinc/05/19/34/1065051934.db2.gz SMYPFMRPWZNBST-SFHVURJKSA-N 1 0 450.539 2.593 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001292280774 1065055578 /nfs/dbraw/zinc/05/55/78/1065055578.db2.gz YRVWKLPIOPCKIF-RTWAWAEBSA-N 1 0 454.619 2.881 20 0 JFADRO CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001292284096 1065057965 /nfs/dbraw/zinc/05/79/65/1065057965.db2.gz MBTCIBIADUNHPF-HXUWFJFHSA-N 1 0 459.639 2.521 20 0 JFADRO CC[C@]1(C)CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)O1 ZINC001292298226 1065069497 /nfs/dbraw/zinc/06/94/97/1065069497.db2.gz UWCFHNPFNUEYIW-UXGLMHHASA-N 1 0 489.709 2.759 20 0 JFADRO CC[C@]1(C)CC[C@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC001292304933 1065075208 /nfs/dbraw/zinc/07/52/08/1065075208.db2.gz OGDBIVIOSNNDTQ-OHUGHZGNSA-N 1 0 460.667 2.957 20 0 JFADRO CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC001292315810 1065082743 /nfs/dbraw/zinc/08/27/43/1065082743.db2.gz AMDSLOSPAAMQQD-PXDATVDWSA-N 1 0 454.619 2.658 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC001292332292 1065088497 /nfs/dbraw/zinc/08/84/97/1065088497.db2.gz RHPMOUKFVOPDLF-ZFGGDYGUSA-N 1 0 496.722 2.892 20 0 JFADRO CC[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001292333171 1065089170 /nfs/dbraw/zinc/08/91/70/1065089170.db2.gz VDVXPXVRRBJOFM-MZLICYQSSA-N 1 0 496.722 2.748 20 0 JFADRO CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC[NH+](CCC(C)C)CC2)CCO1 ZINC001292344875 1065092761 /nfs/dbraw/zinc/09/27/61/1065092761.db2.gz BYAXKVCYCOYPFP-AUSIDOKSSA-N 1 0 484.711 2.652 20 0 JFADRO C[NH+](C)CCSc1nc(CC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cs1 ZINC001292350596 1065095728 /nfs/dbraw/zinc/09/57/28/1065095728.db2.gz CFWUOYDNHMOEDP-IBGZPJMESA-N 1 0 452.621 2.668 20 0 JFADRO CC[C@]1(C)CN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC001292356589 1065100885 /nfs/dbraw/zinc/10/08/85/1065100885.db2.gz RFOHNCQNOJXKLP-RUZDIDTESA-N 1 0 467.618 2.867 20 0 JFADRO CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C3CCCC3)CC2)CCOCC1 ZINC001292415278 1065149134 /nfs/dbraw/zinc/14/91/34/1065149134.db2.gz XMVNYINKRMDCOU-LJQANCHMSA-N 1 0 482.695 2.550 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(CC(=O)N(C)C)CC2)[NH+](C)C)cc1 ZINC001292456562 1065177880 /nfs/dbraw/zinc/17/78/80/1065177880.db2.gz FOZANQRQVAKFLS-QHCPKHFHSA-N 1 0 493.656 2.922 20 0 JFADRO CCc1ccc([C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC(N)=O)[NH+](C)C)cc1 ZINC001292456966 1065178394 /nfs/dbraw/zinc/17/83/94/1065178394.db2.gz ICNFSSWVPKEWMD-JXFKEZNVSA-N 1 0 481.601 2.571 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H]2CCCOC2)[NH+](C)C)cc1 ZINC001292458323 1065180918 /nfs/dbraw/zinc/18/09/18/1065180918.db2.gz ORTVHVCQHKEMCU-BVSLBCMMSA-N 1 0 454.619 2.957 20 0 JFADRO CCc1ccc([C@@H](Cn2c(N3C[C@@H](CC(=O)OC)[C@H](O)C3)nnc2C(C)(C)C)[NH+](C)C)cc1 ZINC001292458726 1065182919 /nfs/dbraw/zinc/18/29/19/1065182919.db2.gz BAHIEYVRAJWADJ-NJDAHSKKSA-N 1 0 457.619 2.801 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)[NH+](C)C)cc1 ZINC001292458859 1065182970 /nfs/dbraw/zinc/18/29/70/1065182970.db2.gz QPBMQBCOOVOJOP-BJKOFHAPSA-N 1 0 477.613 2.547 20 0 JFADRO CCc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)NC)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001292458932 1065183649 /nfs/dbraw/zinc/18/36/49/1065183649.db2.gz SNNQUFUMWLLYNU-UFYCRDLUSA-N 1 0 456.635 2.825 20 0 JFADRO CCc1ccc([C@@H](Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)[NH+](C)C)cc1 ZINC001292459935 1065186668 /nfs/dbraw/zinc/18/66/68/1065186668.db2.gz VPTVXJFVEWQVFP-FYYLOGMGSA-N 1 0 462.602 2.705 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)[NH+](C)C)cc1 ZINC001292460527 1065188355 /nfs/dbraw/zinc/18/83/55/1065188355.db2.gz IDJABODKZLXYQC-YADHBBJMSA-N 1 0 492.690 2.711 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)[NH+](C)C)cc1 ZINC001292460529 1065188467 /nfs/dbraw/zinc/18/84/67/1065188467.db2.gz IEZNKLOLHQJHCP-GOTSBHOMSA-N 1 0 468.646 2.952 20 0 JFADRO CCc1ccc([C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(CC)C(C)C)[NH+](C)C)cc1 ZINC001292460525 1065188482 /nfs/dbraw/zinc/18/84/82/1065188482.db2.gz IDJABODKZLXYQC-FGZHOGPDSA-N 1 0 492.690 2.711 20 0 JFADRO CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC(CC(=O)NC)CC2)[NH+](C)C)cc1 ZINC001292462387 1065191491 /nfs/dbraw/zinc/19/14/91/1065191491.db2.gz RXSVMNUYORSNRY-GOTSBHOMSA-N 1 0 468.646 3.000 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463510 1065192850 /nfs/dbraw/zinc/19/28/50/1065192850.db2.gz XCSMAJXUAQGLLR-VXKWHMMOSA-N 1 0 454.619 2.533 20 0 JFADRO CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC001292463508 1065192855 /nfs/dbraw/zinc/19/28/55/1065192855.db2.gz XCSMAJXUAQGLLR-FGZHOGPDSA-N 1 0 454.619 2.533 20 0 JFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC001292470470 1065197139 /nfs/dbraw/zinc/19/71/39/1065197139.db2.gz KRCPNRCEVLNRML-HKBQPEDESA-N 1 0 452.523 2.824 20 0 JFADRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC001292470471 1065197194 /nfs/dbraw/zinc/19/71/94/1065197194.db2.gz KRCPNRCEVLNRML-WJOKGBTCSA-N 1 0 452.523 2.824 20 0 JFADRO CCc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2CC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001292473731 1065199030 /nfs/dbraw/zinc/19/90/30/1065199030.db2.gz LGZOHFXURXFAPU-UHFFFAOYSA-N 1 0 462.664 2.615 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC(C(=O)NC)CC3)n2CC2([NH+](C)C)CCOCC2)cc1 ZINC001292486032 1065207356 /nfs/dbraw/zinc/20/73/56/1065207356.db2.gz WZLBWDAIAKEBHH-UHFFFAOYSA-N 1 0 454.619 2.581 20 0 JFADRO CCc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC001292488607 1065210176 /nfs/dbraw/zinc/21/01/76/1065210176.db2.gz OVBWQRLOJPXAQI-XZOQPEGZSA-N 1 0 468.646 2.956 20 0 JFADRO CCc1ccc(-c2nnc(N3CCC[C@@H](CNS(C)(=O)=O)C3)n2CC[N@H+](C)C(C)C)cc1 ZINC001292507070 1065224671 /nfs/dbraw/zinc/22/46/71/1065224671.db2.gz IEJRTFPZVSDKEG-FQEVSTJZSA-N 1 0 462.664 2.613 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)COC)CC3)n2CC[NH+]2CCC(C)CC2)cc1 ZINC001292514612 1065236033 /nfs/dbraw/zinc/23/60/33/1065236033.db2.gz VEKHTIKUGCVSOG-UHFFFAOYSA-N 1 0 454.619 2.534 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2Cc2cnn(CC)c2)cc1 ZINC001292515013 1065236369 /nfs/dbraw/zinc/23/63/69/1065236369.db2.gz WWBSWFAEBAEQSA-UHFFFAOYSA-N 1 0 478.645 2.763 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(CC(=O)N[C@@H](C)CC)CC3)n2C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC001292518159 1065241416 /nfs/dbraw/zinc/24/14/16/1065241416.db2.gz OBBNZVDKLDWICR-JTHBVZDNSA-N 1 0 481.689 2.886 20 0 JFADRO CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001292518180 1065241827 /nfs/dbraw/zinc/24/18/27/1065241827.db2.gz MBWSIZHLKLUGET-HSZRJFAPSA-N 1 0 454.619 2.533 20 0 JFADRO O=C(NC[C@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccc(F)c1 ZINC001292523693 1065248280 /nfs/dbraw/zinc/24/82/80/1065248280.db2.gz JMDRWAJZGOZSDB-CJFMBICVSA-N 1 0 454.546 2.823 20 0 JFADRO CCc1ccc(-c2nnc(N3CCO[C@]4(CCO[C@H]4C)C3)n2CCC[N@H+](C)CCOC)cc1 ZINC001292528148 1065254112 /nfs/dbraw/zinc/25/41/12/1065254112.db2.gz PMFOBHFKYGTWOY-NBGIEHNGSA-N 1 0 457.619 2.860 20 0 JFADRO CCc1ccc(-c2nnc(N3C[C@@H](CC(=O)OC)[C@H](O)C3)n2C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC001292533269 1065256427 /nfs/dbraw/zinc/25/64/27/1065256427.db2.gz ZMKNKKFVXXIJOK-UEVCKROQSA-N 1 0 469.630 2.990 20 0 JFADRO CCc1ccc([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N3CC[NH+](CC)CC3)CCO2)cc1 ZINC001292536742 1065259138 /nfs/dbraw/zinc/25/91/38/1065259138.db2.gz KHSLTWUBPXSARY-QPPBQGQZSA-N 1 0 497.688 2.583 20 0 JFADRO CCc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)(C)C)CC2)cc1 ZINC001292540514 1065263015 /nfs/dbraw/zinc/26/30/15/1065263015.db2.gz GBQONNUUPDRZCW-GOSISDBHSA-N 1 0 462.664 2.614 20 0 JFADRO CCc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC001292552459 1065270036 /nfs/dbraw/zinc/27/00/36/1065270036.db2.gz UDHCKKLNFXSUSW-DLBZAZTESA-N 1 0 466.677 2.625 20 0 JFADRO CCc1ccccc1NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001292578133 1065289991 /nfs/dbraw/zinc/28/99/91/1065289991.db2.gz DOYBLVDGTQRUDE-IBGZPJMESA-N 1 0 453.635 2.819 20 0 JFADRO CCc1ccccc1OCc1nnc(N(C)Cc2c(C)noc2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001292584382 1065300226 /nfs/dbraw/zinc/30/02/26/1065300226.db2.gz RCYXPYTZFHJHDH-XMMPIXPASA-N 1 0 454.575 2.727 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1Cc1ccc(C(N)=O)nc1 ZINC001292589416 1065305823 /nfs/dbraw/zinc/30/58/23/1065305823.db2.gz LLQZGDFGJXOWNI-RBUKOAKNSA-N 1 0 477.613 2.881 20 0 JFADRO CCc1ccccc1OCc1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCS(C)(=O)=O ZINC001292589519 1065305881 /nfs/dbraw/zinc/30/58/81/1065305881.db2.gz MFFYIFXISGKDDS-ICSRJNTNSA-N 1 0 461.632 2.527 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(C(=O)NC)CC2)n1CC1([NH+](C)C)CCC1 ZINC001292592590 1065311678 /nfs/dbraw/zinc/31/16/78/1065311678.db2.gz HAMZTRXQUZBSJM-UHFFFAOYSA-N 1 0 454.619 2.866 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@@](C)(C(=O)NC)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292597848 1065317942 /nfs/dbraw/zinc/31/79/42/1065317942.db2.gz ZAQCVGBGSIFCMF-KBMIEXCESA-N 1 0 454.619 2.866 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[C@](C)(C(=O)NC)C2)n1CC[N@@H+]1CCC[C@H]1C ZINC001292597846 1065317963 /nfs/dbraw/zinc/31/79/63/1065317963.db2.gz ZAQCVGBGSIFCMF-CLOONOSVSA-N 1 0 454.619 2.866 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC(CO)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001292598283 1065319151 /nfs/dbraw/zinc/31/91/51/1065319151.db2.gz IDJGRPNFXWCLLN-UHFFFAOYSA-N 1 0 471.646 2.864 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](NC(C)=O)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001292605451 1065331100 /nfs/dbraw/zinc/33/11/00/1065331100.db2.gz JBIXUZOISSDIFR-QHCPKHFHSA-N 1 0 497.688 2.550 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[N@H+](C)C1CCCC1 ZINC001292609823 1065336975 /nfs/dbraw/zinc/33/69/75/1065336975.db2.gz NURAVLQIHAWWLW-FQEVSTJZSA-N 1 0 454.619 2.996 20 0 JFADRO CCc1ccccc1OCc1nnc(N2CC[N@H+](CCOC)[C@H](C)C2)n1Cc1snnc1C ZINC001292615136 1065347442 /nfs/dbraw/zinc/34/74/42/1065347442.db2.gz NXJPURNVEBZFNU-QGZVFWFLSA-N 1 0 471.631 2.785 20 0 JFADRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)Nc2cc(Cl)ccc2Cl)CC1=O ZINC001292636179 1065373887 /nfs/dbraw/zinc/37/38/87/1065373887.db2.gz RABCDIPTOSEPCI-KBXCAEBGSA-N 1 0 455.386 2.723 20 0 JFADRO C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC001292645540 1065380880 /nfs/dbraw/zinc/38/08/80/1065380880.db2.gz OXAVCEPKAGQSSV-FQEVSTJZSA-N 1 0 455.559 2.795 20 0 JFADRO CCc1cnc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCSCC2)s1 ZINC001292647497 1065382582 /nfs/dbraw/zinc/38/25/82/1065382582.db2.gz QTOMVBDORQTMCN-UHFFFAOYSA-N 1 0 491.712 2.974 20 0 JFADRO C[C@@H](NC(=O)c1cc(Br)cc(N)c1N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001292651689 1065388648 /nfs/dbraw/zinc/38/86/48/1065388648.db2.gz RRXMEROXCCTDGI-GFCCVEGCSA-N 1 0 450.356 2.995 20 0 JFADRO C[C@H](NC(=O)c1cc(Br)cc(N)c1N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001292651690 1065388703 /nfs/dbraw/zinc/38/87/03/1065388703.db2.gz RRXMEROXCCTDGI-LBPRGKRZSA-N 1 0 450.356 2.995 20 0 JFADRO COc1ccc(-c2cc(C(=O)N3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)nn2C)cc1OC ZINC001292663516 1065398930 /nfs/dbraw/zinc/39/89/30/1065398930.db2.gz YDODNQRWRLIULZ-OALUTQOASA-N 1 0 455.603 2.735 20 0 JFADRO CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+](C)C)CCC2)s1 ZINC001292670697 1065411385 /nfs/dbraw/zinc/41/13/85/1065411385.db2.gz UCFQADWDDJSVNC-JKSUJKDBSA-N 1 0 483.708 2.897 20 0 JFADRO CCc1nc(C)c(Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)o1 ZINC001292678056 1065416941 /nfs/dbraw/zinc/41/69/41/1065416941.db2.gz CBHMWGUYGTUHFO-CVEARBPZSA-N 1 0 452.563 2.751 20 0 JFADRO CCc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccc(C)c3)CC2)o1 ZINC001292678860 1065419029 /nfs/dbraw/zinc/41/90/29/1065419029.db2.gz JNJMDDNNUYWZAB-UHFFFAOYSA-N 1 0 465.602 2.954 20 0 JFADRO CCc1nc(CCn2c(C(=O)NC(CC)CC)nnc2N2CCC([NH+]3CCCCC3)CC2)no1 ZINC001292697005 1065447990 /nfs/dbraw/zinc/44/79/90/1065447990.db2.gz VAPHCEKRZBUQAM-UHFFFAOYSA-N 1 0 472.638 2.839 20 0 JFADRO CCc1nc(CN(C)c2nnc(C(=O)NC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC001292720005 1065479218 /nfs/dbraw/zinc/47/92/18/1065479218.db2.gz AIAXZNNJZFHNDJ-CALCHBBNSA-N 1 0 463.652 2.571 20 0 JFADRO CCc1nc(CCn2c(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)nnc2C(C)(C)C)cs1 ZINC001292720253 1065480001 /nfs/dbraw/zinc/48/00/01/1065480001.db2.gz FFSBUCQMMQYMKP-GOSISDBHSA-N 1 0 459.664 2.580 20 0 JFADRO CCc1nc(CN(C)c2nnc(-c3ccc[nH]3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cs1 ZINC001292728968 1065490350 /nfs/dbraw/zinc/49/03/50/1065490350.db2.gz OGPHKUDPGXFKOI-IBGZPJMESA-N 1 0 470.647 2.871 20 0 JFADRO CCc1nc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)cs1 ZINC001292729550 1065491970 /nfs/dbraw/zinc/49/19/70/1065491970.db2.gz UCGVUAOSCKLFBZ-ROUUACIJSA-N 1 0 480.704 2.956 20 0 JFADRO CCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](CC(C)C)CC2)cs1 ZINC001292737112 1065498166 /nfs/dbraw/zinc/49/81/66/1065498166.db2.gz FLMCHKJLSWUBAB-UHFFFAOYSA-N 1 0 454.604 2.771 20 0 JFADRO CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cs1 ZINC001292737530 1065498813 /nfs/dbraw/zinc/49/88/13/1065498813.db2.gz LOANANFGMWMQKL-QZTJIDSGSA-N 1 0 478.663 2.759 20 0 JFADRO CCc1nn(C)c(CC)c1Cn1c(CC)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001292769113 1065524957 /nfs/dbraw/zinc/52/49/57/1065524957.db2.gz ZKANOULUZCAJFS-PMACEKPBSA-N 1 0 456.683 2.742 20 0 JFADRO CCc1nnc(Cn2c(COc3ccccc3OC)nnc2N2CC[N@@H+](CC)[C@H](C)C2)s1 ZINC001292797649 1065558310 /nfs/dbraw/zinc/55/83/10/1065558310.db2.gz GMRQYTSCXYERCE-MRXNPFEDSA-N 1 0 457.604 2.858 20 0 JFADRO CCc1nnc(Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001292802475 1065560020 /nfs/dbraw/zinc/56/00/20/1065560020.db2.gz FQPWLMPKOHNSEH-QFIPXVFZSA-N 1 0 463.652 2.559 20 0 JFADRO O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC001292811685 1065563324 /nfs/dbraw/zinc/56/33/24/1065563324.db2.gz KQULIYIICMSNJT-QFIPXVFZSA-N 1 0 450.986 2.773 20 0 JFADRO CCc1nnc(N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1CC[C@@H](C(F)F)N1CCOCC1 ZINC001292813705 1065564286 /nfs/dbraw/zinc/56/42/86/1065564286.db2.gz OFFCYBBDGIMSTQ-SFTDATJTSA-N 1 0 462.589 2.907 20 0 JFADRO CCc1nnc(N(C)Cc2cc3c(cc2OC(F)F)OCO3)n1CCC[NH+]1CCC(O)CC1 ZINC001292826905 1065568026 /nfs/dbraw/zinc/56/80/26/1065568026.db2.gz HXVFMOHVQYIAQM-UHFFFAOYSA-N 1 0 467.517 2.654 20 0 JFADRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccccc1 ZINC001292830056 1065568922 /nfs/dbraw/zinc/56/89/22/1065568922.db2.gz GECKZUWLTRJOKF-SFHVURJKSA-N 1 0 459.612 2.691 20 0 JFADRO COc1ccc(Br)c2[nH]c(C(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)cc21 ZINC001292877721 1065583117 /nfs/dbraw/zinc/58/31/17/1065583117.db2.gz JMGSAYBXELGCSE-UHFFFAOYSA-N 1 0 451.365 2.612 20 0 JFADRO CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001292892225 1065588944 /nfs/dbraw/zinc/58/89/44/1065588944.db2.gz AYZUGLYUNCJEFX-CLLDFNAGSA-N 1 0 468.646 2.517 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)N(C)c1ccccc1 ZINC001292892767 1065591455 /nfs/dbraw/zinc/59/14/55/1065591455.db2.gz HZRKWWNRJMDIDF-IMSXRSKXSA-N 1 0 467.662 2.744 20 0 JFADRO CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCOc1c(C)cccc1C ZINC001292893427 1065594187 /nfs/dbraw/zinc/59/41/87/1065594187.db2.gz NVGYHGALKQHTGZ-GMAHTHKFSA-N 1 0 468.646 2.915 20 0 JFADRO CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CCOc1c(C)cccc1C ZINC001292893426 1065594289 /nfs/dbraw/zinc/59/42/89/1065594289.db2.gz NVGYHGALKQHTGZ-GGAORHGYSA-N 1 0 468.646 2.915 20 0 JFADRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)CC1=O ZINC001292909392 1065599494 /nfs/dbraw/zinc/59/94/94/1065599494.db2.gz VNWSDFWJYVRKNC-AZUAARDMSA-N 1 0 450.539 2.849 20 0 JFADRO CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cc1OC ZINC001292919131 1065605138 /nfs/dbraw/zinc/60/51/38/1065605138.db2.gz CTPLBUWZXQFSBB-SFHVURJKSA-N 1 0 451.633 2.980 20 0 JFADRO CCc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292922619 1065609311 /nfs/dbraw/zinc/60/93/11/1065609311.db2.gz FGIANYOTVDNROJ-DOTOQJQBSA-N 1 0 456.488 2.787 20 0 JFADRO Cn1cc([C@H]2[C@H](C(=O)NCc3ccc(OCCC[NH+](C)C)cc3)CC(=O)N2C(C)(C)C)cn1 ZINC001292922870 1065609974 /nfs/dbraw/zinc/60/99/74/1065609974.db2.gz MFUXWUDCGYEFPZ-GGAORHGYSA-N 1 0 455.603 2.755 20 0 JFADRO CCc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001292924806 1065617561 /nfs/dbraw/zinc/61/75/61/1065617561.db2.gz QXSNNFNRZHLZIS-OAQYLSRUSA-N 1 0 499.679 2.786 20 0 JFADRO CCc1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001292933519 1065623059 /nfs/dbraw/zinc/62/30/59/1065623059.db2.gz VHMPULBGFSCKKX-SFHVURJKSA-N 1 0 450.628 2.692 20 0 JFADRO CN1CCN([C@H](CNC(=O)Cc2csc(SCC[NH+](C)C)n2)c2cccs2)CC1 ZINC001292949771 1065629816 /nfs/dbraw/zinc/62/98/16/1065629816.db2.gz VQXDXHHLRCAKNB-QGZVFWFLSA-N 1 0 453.703 2.506 20 0 JFADRO CCc1nnc(N2CCC(CC(=O)N3CCN(CC)CC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292950824 1065630697 /nfs/dbraw/zinc/63/06/97/1065630697.db2.gz DFAOGEWWBQBGMP-JOCHJYFZSA-N 1 0 473.710 2.732 20 0 JFADRO C[C@H](CNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O)C[NH+]1CCN(C)CC1 ZINC001292957484 1065634563 /nfs/dbraw/zinc/63/45/63/1065634563.db2.gz ACQPDBBRUHFLHS-GFCCVEGCSA-N 1 0 455.784 2.557 20 0 JFADRO CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCNC(=O)c1ccccc1F ZINC001292961277 1065642121 /nfs/dbraw/zinc/64/21/21/1065642121.db2.gz WGMFWCZKCGMTFJ-KDURUIRLSA-N 1 0 472.609 2.735 20 0 JFADRO CCc1nnc(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292961242 1065642219 /nfs/dbraw/zinc/64/22/19/1065642219.db2.gz BZOKOCGVUKTFDN-GUDVDZBRSA-N 1 0 450.628 2.691 20 0 JFADRO CCc1nnc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292971649 1065653863 /nfs/dbraw/zinc/65/38/63/1065653863.db2.gz ZZWVCMWHQCWUFI-FHWLQOOXSA-N 1 0 450.628 2.785 20 0 JFADRO CCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001292977931 1065657431 /nfs/dbraw/zinc/65/74/31/1065657431.db2.gz CVBZJGJWEPNPOQ-UHFFFAOYSA-N 1 0 485.652 2.713 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001292978790 1065659714 /nfs/dbraw/zinc/65/97/14/1065659714.db2.gz XIMLXAVBIVBWDY-IBGZPJMESA-N 1 0 487.718 2.883 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292979668 1065662038 /nfs/dbraw/zinc/66/20/38/1065662038.db2.gz GDQZWBICBUQTJH-JOCHJYFZSA-N 1 0 469.634 2.868 20 0 JFADRO CCc1nnc(N2CCC(NC(=O)c3cc(C)on3)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292980203 1065663770 /nfs/dbraw/zinc/66/37/70/1065663770.db2.gz MTVMFPQDUZIFBA-HDICACEKSA-N 1 0 457.623 2.904 20 0 JFADRO CCc1nnc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1CCCC[N@@H+]1CCC[C@@H]1CO ZINC001292980742 1065664568 /nfs/dbraw/zinc/66/45/68/1065664568.db2.gz YXNICFCRISVWQR-NHCUHLMSSA-N 1 0 473.597 2.617 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001292981171 1065666019 /nfs/dbraw/zinc/66/60/19/1065666019.db2.gz CKHPWIPVQGRUBH-AABGKKOBSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001292981173 1065666033 /nfs/dbraw/zinc/66/60/33/1065666033.db2.gz CKHPWIPVQGRUBH-UFYCRDLUSA-N 1 0 464.655 2.817 20 0 JFADRO CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001292984856 1065667926 /nfs/dbraw/zinc/66/79/26/1065667926.db2.gz AYRBZJCVBFEUAC-UZLBHIALSA-N 1 0 466.677 2.503 20 0 JFADRO CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001292991082 1065677730 /nfs/dbraw/zinc/67/77/30/1065677730.db2.gz GXCYSMXJIHEVQX-SFHVURJKSA-N 1 0 455.607 2.503 20 0 JFADRO CCc1nnc(N2CCC(Oc3cncc(Cl)n3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001292991608 1065679302 /nfs/dbraw/zinc/67/93/02/1065679302.db2.gz QKWYHXSMMGAYDO-GOSISDBHSA-N 1 0 477.057 2.605 20 0 JFADRO CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC001293030713 1065700982 /nfs/dbraw/zinc/70/09/82/1065700982.db2.gz WZGIGHMOYWHHAA-NZQKXSOJSA-N 1 0 488.702 2.785 20 0 JFADRO CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001293035642 1065704172 /nfs/dbraw/zinc/70/41/72/1065704172.db2.gz AFBKIBFBGWHBMP-AXHZCLLHSA-N 1 0 456.639 2.749 20 0 JFADRO CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001293035643 1065704243 /nfs/dbraw/zinc/70/42/43/1065704243.db2.gz AFBKIBFBGWHBMP-IMWIBFENSA-N 1 0 456.639 2.749 20 0 JFADRO CCc1nnc(N2CCC[C@H](Nc3ccccc3)C2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001293044506 1065709339 /nfs/dbraw/zinc/70/93/39/1065709339.db2.gz KWPKSZNKTJZGGE-FCHUYYIVSA-N 1 0 453.635 2.864 20 0 JFADRO CCc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001293048414 1065711929 /nfs/dbraw/zinc/71/19/29/1065711929.db2.gz SGLORXCFJLNSEU-FPOVZHCZSA-N 1 0 466.696 2.936 20 0 JFADRO CCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293067007 1065718882 /nfs/dbraw/zinc/71/88/82/1065718882.db2.gz YYTOFKBRSMSGSD-CALCHBBNSA-N 1 0 462.668 2.605 20 0 JFADRO CCc1nnc(N2CCCN(c3ncccc3F)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001293066920 1065718979 /nfs/dbraw/zinc/71/89/79/1065718979.db2.gz VUWRLJLUICWEAM-KDURUIRLSA-N 1 0 459.614 2.979 20 0 JFADRO CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001293068057 1065719656 /nfs/dbraw/zinc/71/96/56/1065719656.db2.gz AJRXXZOFCGWDGL-NRFANRHFSA-N 1 0 471.650 2.651 20 0 JFADRO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 ZINC001293071029 1065724167 /nfs/dbraw/zinc/72/41/67/1065724167.db2.gz GIUSUTLWRIINBR-HKBOAZHASA-N 1 0 455.640 2.998 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001293081161 1065730162 /nfs/dbraw/zinc/73/01/62/1065730162.db2.gz GBCBGMQNYYETSG-FQEVSTJZSA-N 1 0 454.619 2.877 20 0 JFADRO CCc1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001293082151 1065731882 /nfs/dbraw/zinc/73/18/82/1065731882.db2.gz VANMOPYMUAVANK-BGYRXZFFSA-N 1 0 454.619 2.877 20 0 JFADRO CCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293089688 1065738583 /nfs/dbraw/zinc/73/85/83/1065738583.db2.gz PFRUYOYVTFDMRC-SFHVURJKSA-N 1 0 450.628 2.521 20 0 JFADRO CCc1nnc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293096518 1065746614 /nfs/dbraw/zinc/74/66/14/1065746614.db2.gz UAEJGJXUXOULSY-QUCCMNQESA-N 1 0 462.589 2.849 20 0 JFADRO CCc1nnc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293096517 1065746746 /nfs/dbraw/zinc/74/67/46/1065746746.db2.gz UAEJGJXUXOULSY-ICSRJNTNSA-N 1 0 462.589 2.849 20 0 JFADRO CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001293104551 1065752341 /nfs/dbraw/zinc/75/23/41/1065752341.db2.gz ZAWGHCYWMUFGCP-IBGZPJMESA-N 1 0 476.629 2.790 20 0 JFADRO CCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001293115436 1065760849 /nfs/dbraw/zinc/76/08/49/1065760849.db2.gz AIEVXRLETFXWOX-LJQANCHMSA-N 1 0 462.639 2.789 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001293115478 1065761271 /nfs/dbraw/zinc/76/12/71/1065761271.db2.gz BQOUSQKFHKLSMN-VWPQPMDRSA-N 1 0 487.718 2.831 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1CCCCC[NH+]1CCCC1 ZINC001293118291 1065765578 /nfs/dbraw/zinc/76/55/78/1065765578.db2.gz BZFYUNUDSRZJRE-QFIPXVFZSA-N 1 0 459.683 2.630 20 0 JFADRO CCc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001293120327 1065769714 /nfs/dbraw/zinc/76/97/14/1065769714.db2.gz QPEILJPNDFKPCU-HSZRJFAPSA-N 1 0 473.710 2.877 20 0 JFADRO CCc1nnc(N2CCN(Cc3c(C)nn(C)c3C)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001293123698 1065776585 /nfs/dbraw/zinc/77/65/85/1065776585.db2.gz LGVGWGMXSSJTRO-DEOSSOPVSA-N 1 0 486.709 2.650 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001293129967 1065780510 /nfs/dbraw/zinc/78/05/10/1065780510.db2.gz CROFBXMZBZEPBH-CPJSRVTESA-N 1 0 491.080 2.633 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@](C)(O)c1ccccc1Cl ZINC001293129969 1065781000 /nfs/dbraw/zinc/78/10/00/1065781000.db2.gz CROFBXMZBZEPBH-NLFFAJNJSA-N 1 0 491.080 2.633 20 0 JFADRO CCc1nnc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1CCCN(C)CC(F)(F)F ZINC001293130646 1065782172 /nfs/dbraw/zinc/78/21/72/1065782172.db2.gz JITHXTPRNAIGOC-RTBURBONSA-N 1 0 459.605 2.720 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001293130899 1065782206 /nfs/dbraw/zinc/78/22/06/1065782206.db2.gz KWTGQJVYQHWVOD-SFHVURJKSA-N 1 0 450.628 2.550 20 0 JFADRO CCc1nnc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1Cc1ccc(OC)c(OC)c1OC ZINC001293130826 1065782283 /nfs/dbraw/zinc/78/22/83/1065782283.db2.gz KFMCBRYEJVGNAW-BGYRXZFFSA-N 1 0 486.661 2.909 20 0 JFADRO CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCc1cc(F)cc(F)c1 ZINC001293131240 1065782659 /nfs/dbraw/zinc/78/26/59/1065782659.db2.gz NEKUPRDGODHMLK-JOCHJYFZSA-N 1 0 462.589 2.593 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001293132386 1065785037 /nfs/dbraw/zinc/78/50/37/1065785037.db2.gz VZMOOWKFZGNSJT-VXKWHMMOSA-N 1 0 486.661 2.548 20 0 JFADRO CCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001293132665 1065785137 /nfs/dbraw/zinc/78/51/37/1065785137.db2.gz YFNSUVQCGWHVSY-UHFFFAOYSA-N 1 0 462.639 2.789 20 0 JFADRO CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001293132387 1065785157 /nfs/dbraw/zinc/78/51/57/1065785157.db2.gz VZMOOWKFZGNSJT-YADHBBJMSA-N 1 0 486.661 2.548 20 0 JFADRO CCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001293139932 1065791289 /nfs/dbraw/zinc/79/12/89/1065791289.db2.gz XYPPQIVYOHXZNY-UHFFFAOYSA-N 1 0 478.638 2.613 20 0 JFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC001293154571 1065795223 /nfs/dbraw/zinc/79/52/23/1065795223.db2.gz KQJNZSNHSKFURR-AREMUKBSSA-N 1 0 459.550 2.592 20 0 JFADRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC001293154573 1065795318 /nfs/dbraw/zinc/79/53/18/1065795318.db2.gz KQJNZSNHSKFURR-SANMLTNESA-N 1 0 459.550 2.592 20 0 JFADRO CN(CC1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001293157706 1065796787 /nfs/dbraw/zinc/79/67/87/1065796787.db2.gz HVJZGXAIVSTUOE-GOSISDBHSA-N 1 0 456.628 2.937 20 0 JFADRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 ZINC001293183174 1065804450 /nfs/dbraw/zinc/80/44/50/1065804450.db2.gz PSDIYPSXDZNSSQ-NRFANRHFSA-N 1 0 450.352 2.864 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)Cc2c(F)ccc(Br)c2F)cc1 ZINC001293203692 1065831458 /nfs/dbraw/zinc/83/14/58/1065831458.db2.gz LWHQIWGNCJRLPY-UHFFFAOYSA-N 1 0 454.315 2.878 20 0 JFADRO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)cc1 ZINC001293204188 1065831526 /nfs/dbraw/zinc/83/15/26/1065831526.db2.gz ZVIONNOEPOGKLA-UHFFFAOYSA-N 1 0 456.543 2.961 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc([C@H]4CCOC4)n3CC[N@@H+](CC)C(C)C)CC2)n1 ZINC001293207042 1065833657 /nfs/dbraw/zinc/83/36/57/1065833657.db2.gz FPNMUXBJMAKTPI-SFHVURJKSA-N 1 0 462.668 2.643 20 0 JFADRO CCc1nsc(N2CCCN(c3nnc([C@H]4CCCO4)n3CC[N@@H+](CC)C(C)C)CC2)n1 ZINC001293208675 1065840292 /nfs/dbraw/zinc/84/02/92/1065840292.db2.gz QQAQEUHZKSQIDO-GOSISDBHSA-N 1 0 462.668 2.991 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293209116 1065842379 /nfs/dbraw/zinc/84/23/79/1065842379.db2.gz VFXZTVWGKCQZHW-MOPGFXCFSA-N 1 0 476.695 2.889 20 0 JFADRO CCc1nsc(N2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)n1 ZINC001293209118 1065842410 /nfs/dbraw/zinc/84/24/10/1065842410.db2.gz VFXZTVWGKCQZHW-RBUKOAKNSA-N 1 0 476.695 2.889 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(CC(C)C)n3C[C@@H]3C[N@H+](CC(C)C)CCO3)CC2)n1 ZINC001293209147 1065843002 /nfs/dbraw/zinc/84/30/02/1065843002.db2.gz VWHSFCMIWHAHIL-IBGZPJMESA-N 1 0 476.695 2.574 20 0 JFADRO CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC001293210315 1065845957 /nfs/dbraw/zinc/84/59/57/1065845957.db2.gz BHXQKCOJUMCHMD-OXJNMPFZSA-N 1 0 453.414 2.883 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293215009 1065850237 /nfs/dbraw/zinc/85/02/37/1065850237.db2.gz CUBYRUBRKPLJKU-PGRDOPGGSA-N 1 0 481.645 2.984 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293216341 1065854719 /nfs/dbraw/zinc/85/47/19/1065854719.db2.gz HFRMPKJJQXIMDQ-UNMCSNQZSA-N 1 0 481.645 2.982 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001293216882 1065856413 /nfs/dbraw/zinc/85/64/13/1065856413.db2.gz KGYPNXGNRDCNAZ-NQIIRXRSSA-N 1 0 488.608 2.507 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCC1CC[NH+](CC)CC1 ZINC001293219107 1065863885 /nfs/dbraw/zinc/86/38/85/1065863885.db2.gz MEYJQQHVSJGFOD-GOSISDBHSA-N 1 0 478.439 2.873 20 0 JFADRO CCc1nsc(N2CCN(c3nnc(COc4cccc(C)c4)n3C[C@@H](C)[NH+](C)C)CC2)n1 ZINC001293219474 1065866046 /nfs/dbraw/zinc/86/60/46/1065866046.db2.gz QFXBITRMZBVTDO-GOSISDBHSA-N 1 0 470.647 2.856 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293219631 1065867180 /nfs/dbraw/zinc/86/71/80/1065867180.db2.gz WWCKNUSKPZBDQG-QFIPXVFZSA-N 1 0 481.689 2.983 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(Br)s2)n1C[C@H](C)[N@H+](C)C1CC1 ZINC001293219930 1065868127 /nfs/dbraw/zinc/86/81/27/1065868127.db2.gz XXQCRGAPAFEMMK-JSGCOSHPSA-N 1 0 467.437 2.967 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C)n2)n1CCc1ccc(OCC[NH+](C)C)cc1 ZINC001293227986 1065881290 /nfs/dbraw/zinc/88/12/90/1065881290.db2.gz DSGNRFHEAGSLCR-HSZRJFAPSA-N 1 0 477.613 2.546 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(C)(C)C[NH+](C)C ZINC001293231456 1065889334 /nfs/dbraw/zinc/88/93/34/1065889334.db2.gz HDZNEIZJRSQGMT-RBUKOAKNSA-N 1 0 491.681 2.695 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001293238407 1065894021 /nfs/dbraw/zinc/89/40/21/1065894021.db2.gz FCUXZKCNJYNOJF-PZJWPPBQSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@H+](CC)C1CC1 ZINC001293241758 1065901703 /nfs/dbraw/zinc/90/17/03/1065901703.db2.gz FUTFKPSIPGSBCD-IBGZPJMESA-N 1 0 491.434 2.819 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(Br)cc2)n1CC[N@H+](CC)C1CC1 ZINC001293241759 1065901755 /nfs/dbraw/zinc/90/17/55/1065901755.db2.gz FUTFKPSIPGSBCD-LJQANCHMSA-N 1 0 491.434 2.819 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(CC2CCCC2)n1Cc1ccccc1OCC[NH+](C)C ZINC001293242572 1065904699 /nfs/dbraw/zinc/90/46/99/1065904699.db2.gz SJIDEDTZBCDNSZ-OAQYLSRUSA-N 1 0 454.619 2.714 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001293243361 1065905792 /nfs/dbraw/zinc/90/57/92/1065905792.db2.gz SBXCUCNUKASLAI-UXHICEINSA-N 1 0 452.559 2.776 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001293244065 1065907843 /nfs/dbraw/zinc/90/78/43/1065907843.db2.gz VIILAMVNJJREQF-JTHBVZDNSA-N 1 0 484.645 2.690 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001293244420 1065908686 /nfs/dbraw/zinc/90/86/86/1065908686.db2.gz DKUJVMJEFGSOEA-RBUKOAKNSA-N 1 0 484.626 2.945 20 0 JFADRO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccccc2OC)n1CC1([NH+](C)C)CCCCC1 ZINC001293247859 1065913241 /nfs/dbraw/zinc/91/32/41/1065913241.db2.gz ROYBXLZPTHOCRV-LJQANCHMSA-N 1 0 470.618 2.845 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@@H+]1CCC[C@H]1C ZINC001293248401 1065914459 /nfs/dbraw/zinc/91/44/59/1065914459.db2.gz ZZRNONPQYBRCCC-MSOLQXFVSA-N 1 0 458.632 2.778 20 0 JFADRO CC[C@H]1C(=O)NCCN1c1nnc(CSc2ccccc2OC)n1CC[N@@H+]1CCC[C@@H]1C ZINC001293248403 1065914472 /nfs/dbraw/zinc/91/44/72/1065914472.db2.gz ZZRNONPQYBRCCC-ROUUACIJSA-N 1 0 458.632 2.778 20 0 JFADRO CC[C@H]1[C@H](C)CCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CC[NH+](CC)CC1 ZINC001293250076 1065915129 /nfs/dbraw/zinc/91/51/29/1065915129.db2.gz FTGHBTREXHLSGL-UXHICEINSA-N 1 0 454.623 2.578 20 0 JFADRO CN(C(=O)c1cnc2c(OC(F)(F)F)cccc2c1O)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001293253340 1065918018 /nfs/dbraw/zinc/91/80/18/1065918018.db2.gz LFMOPIAVWCMZEN-OAHLLOKOSA-N 1 0 452.477 2.667 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001293260036 1065923300 /nfs/dbraw/zinc/92/33/00/1065923300.db2.gz VYRMFXSHDVDKJS-MKXGPGLRSA-N 1 0 464.636 2.943 20 0 JFADRO CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+](C)C1CCCCC1 ZINC001293272888 1065929504 /nfs/dbraw/zinc/92/95/04/1065929504.db2.gz NIOSNGZXZRQBAS-HMXCVIKNSA-N 1 0 482.695 2.500 20 0 JFADRO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001293298739 1065939660 /nfs/dbraw/zinc/93/96/60/1065939660.db2.gz QWPRIAVXHRXMQR-NEOGFGCTSA-N 1 0 478.663 2.825 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)[NH+](C)C ZINC001293330195 1065951410 /nfs/dbraw/zinc/95/14/10/1065951410.db2.gz KIDLHUOAVSZIBL-KZNAEPCWSA-N 1 0 464.636 2.943 20 0 JFADRO CC[C@@H]1CC2(CCC2)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC[N@H+](C)C(C)C ZINC001293337550 1065955050 /nfs/dbraw/zinc/95/50/50/1065955050.db2.gz YRXGPIIQUGMSRL-WOJBJXKFSA-N 1 0 482.695 2.500 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001293362531 1065966394 /nfs/dbraw/zinc/96/63/94/1065966394.db2.gz DRXTWSNKXMMLMT-VQTJNVASSA-N 1 0 478.663 2.877 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001293364314 1065968952 /nfs/dbraw/zinc/96/89/52/1065968952.db2.gz DRQFEQMTGKZSPM-NRFANRHFSA-N 1 0 471.654 2.527 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)cc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001293365103 1065969782 /nfs/dbraw/zinc/96/97/82/1065969782.db2.gz JTABOKKVUOVGQA-OALUTQOASA-N 1 0 470.618 2.894 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001293369282 1065972555 /nfs/dbraw/zinc/97/25/55/1065972555.db2.gz CXVOWFSWVCCMMW-WOJBJXKFSA-N 1 0 461.655 2.677 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 ZINC001293369514 1065973028 /nfs/dbraw/zinc/97/30/28/1065973028.db2.gz HJJBNNMJZBJUGC-WRDWMWDCSA-N 1 0 472.659 2.868 20 0 JFADRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1 ZINC001293369853 1065973329 /nfs/dbraw/zinc/97/33/29/1065973329.db2.gz CDNSMFPQPUDWEO-PMACEKPBSA-N 1 0 459.612 2.678 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001293371360 1065974325 /nfs/dbraw/zinc/97/43/25/1065974325.db2.gz FINOHJTWYIJSNU-GGAORHGYSA-N 1 0 453.635 2.833 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001293372540 1065975876 /nfs/dbraw/zinc/97/58/76/1065975876.db2.gz OPQCZWAMJROECV-HBMCJLEFSA-N 1 0 492.665 2.776 20 0 JFADRO CC[C@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373044 1065976554 /nfs/dbraw/zinc/97/65/54/1065976554.db2.gz MGYVEQLCHGPMNJ-JTHBVZDNSA-N 1 0 489.686 2.960 20 0 JFADRO CC[C@@H]1CCCC[N@@H+]1CCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001293373039 1065976638 /nfs/dbraw/zinc/97/66/38/1065976638.db2.gz MGYVEQLCHGPMNJ-FYYLOGMGSA-N 1 0 489.686 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CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001293861740 1066370648 /nfs/dbraw/zinc/37/06/48/1066370648.db2.gz GOXNUKFIKGNGCR-RJGXRXQPSA-N 1 0 489.709 2.677 20 0 JFADRO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)[C@H]1c1cccs1 ZINC001293863530 1066374485 /nfs/dbraw/zinc/37/44/85/1066374485.db2.gz DFEHIWOMRVATCQ-YNQURBJZSA-N 1 0 459.587 2.591 20 0 JFADRO CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC001293865423 1066375835 /nfs/dbraw/zinc/37/58/35/1066375835.db2.gz UEMHULIMDZUVMV-XJUOHMSHSA-N 1 0 495.672 2.882 20 0 JFADRO CCC[C@@H](C)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001293877659 1066387085 /nfs/dbraw/zinc/38/70/85/1066387085.db2.gz QNGVLOTYIANVNF-HXUWFJFHSA-N 1 0 480.665 2.819 20 0 JFADRO CCC[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001293920970 1066401535 /nfs/dbraw/zinc/40/15/35/1066401535.db2.gz BRXBVMJWSKUJII-GHTZIAJQSA-N 1 0 459.660 2.904 20 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CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nnc(C3CCC3)n2CCC[NH+]2CCC(O)CC2)C1 ZINC001293947723 1066445940 /nfs/dbraw/zinc/44/59/40/1066445940.db2.gz SJUYHDPBFGWYEQ-TZIWHRDSSA-N 1 0 460.667 2.914 20 0 JFADRO Cc1cccc(C2N=NC(=S)N2CCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC001293981498 1066484979 /nfs/dbraw/zinc/48/49/79/1066484979.db2.gz DBEKLZFDNXJTKL-XMMPIXPASA-N 1 0 451.596 2.686 20 0 JFADRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC001293982767 1066487833 /nfs/dbraw/zinc/48/78/33/1066487833.db2.gz WCNALDZKLFTSEW-QFDNUGPTSA-N 1 0 456.546 2.606 20 0 JFADRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001294050816 1066523126 /nfs/dbraw/zinc/52/31/26/1066523126.db2.gz PVORQHSRTPXPAN-HNNXBMFYSA-N 1 0 451.511 2.586 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2([NH+](C)C)CCSC2)CCO1 ZINC001294054441 1066526266 /nfs/dbraw/zinc/52/62/66/1066526266.db2.gz GVUNJLNBMMDNHI-XMSQKQJNSA-N 1 0 452.669 2.639 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001294054493 1066526696 /nfs/dbraw/zinc/52/66/96/1066526696.db2.gz IBEAHHLLDVBGME-HXUWFJFHSA-N 1 0 460.648 2.869 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOc3ccccc32)CC[N@@H+]1CCOC ZINC001294054764 1066527183 /nfs/dbraw/zinc/52/71/83/1066527183.db2.gz NJKRCANXOCNDKP-LEWJYISDSA-N 1 0 484.645 2.920 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)SC)CC[N@@H+]1CCOC ZINC001294054686 1066527238 /nfs/dbraw/zinc/52/72/38/1066527238.db2.gz LTVJNMLRPRZKQH-GOSISDBHSA-N 1 0 452.669 2.593 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOc3ccccc32)CC[N@@H+]1CCOC ZINC001294054767 1066527552 /nfs/dbraw/zinc/52/75/52/1066527552.db2.gz NJKRCANXOCNDKP-SFTDATJTSA-N 1 0 484.645 2.920 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC[N@@H+]1CCOC ZINC001294056167 1066530038 /nfs/dbraw/zinc/53/00/38/1066530038.db2.gz ZNBLRUPIHCGQOW-QFIPXVFZSA-N 1 0 472.609 2.833 20 0 JFADRO CCC[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CCCC2)CCO1 ZINC001294056196 1066530465 /nfs/dbraw/zinc/53/04/65/1066530465.db2.gz ZZIUAACIUIOFCA-FQEVSTJZSA-N 1 0 461.010 2.963 20 0 JFADRO CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC[N@@H+]1CCOC ZINC001294058530 1066531123 /nfs/dbraw/zinc/53/11/23/1066531123.db2.gz RGFSVZZVVLWGHR-RTBURBONSA-N 1 0 476.588 2.602 20 0 JFADRO CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CC[N@@H+]1CCOC ZINC001294072670 1066542134 /nfs/dbraw/zinc/54/21/34/1066542134.db2.gz HTVXJNBBPDBOSF-OAQYLSRUSA-N 1 0 465.602 2.507 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CC[N@@H+]1CCOC ZINC001294075543 1066544688 /nfs/dbraw/zinc/54/46/88/1066544688.db2.gz AVUMUKJOBVNCSI-IBGZPJMESA-N 1 0 470.622 2.950 20 0 JFADRO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001294077787 1066546955 /nfs/dbraw/zinc/54/69/55/1066546955.db2.gz MHYCGOYCROWOGG-CYBMUJFWSA-N 1 0 455.930 2.827 20 0 JFADRO CCC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CC[N@@H+]1CCOC ZINC001294077881 1066547293 /nfs/dbraw/zinc/54/72/93/1066547293.db2.gz TVMXGLCEBIBGAT-UGKGYDQZSA-N 1 0 465.602 2.774 20 0 JFADRO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CC[N@@H+]1CCOC ZINC001294086054 1066556744 /nfs/dbraw/zinc/55/67/44/1066556744.db2.gz WEIXIRNHFSNATO-MSOLQXFVSA-N 1 0 495.550 2.628 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(C)CN(C)C2=O)CC[N@@H+]1CCOC ZINC001294089496 1066560533 /nfs/dbraw/zinc/56/05/33/1066560533.db2.gz BLFAFOBCGYRIOB-IQGLISFBSA-N 1 0 490.599 2.563 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC[N@@H+]1CCOC ZINC001294090916 1066561806 /nfs/dbraw/zinc/56/18/06/1066561806.db2.gz IZERHQKARPSISV-FGZHOGPDSA-N 1 0 478.037 2.875 20 0 JFADRO CCC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC[N@@H+]1CCOC ZINC001294091923 1066562707 /nfs/dbraw/zinc/56/27/07/1066562707.db2.gz PYVUWKOTKAESOR-WOJBJXKFSA-N 1 0 464.561 2.625 20 0 JFADRO COc1ccc(N2C(=O)CC[C@H](C(=O)NCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756716 524387977 /nfs/dbraw/zinc/38/79/77/524387977.db2.gz MWDQIXBSIKJNCK-GBXCKJPGSA-N 1 0 455.555 2.875 20 0 JFADRO