smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(N3CCNC(=O)C34C[NH2+]C4)n2)CC1 ZINC001164410919 718878820 /nfs/dbraw/zinc/87/88/20/718878820.db2.gz JREMKCGBQIOCGR-UHFFFAOYSA-N 2 1 468.652 2.930 20 0 JFADMP C(c1nc2sc3c(c2c(N2CCCO[C@]4(C[NH2+]CCOC4)C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164424995 718916329 /nfs/dbraw/zinc/91/63/29/718916329.db2.gz PTNRLXNZUSPMPS-XMMPIXPASA-N 2 1 457.644 2.751 20 0 JFADMP COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682489 719631945 /nfs/dbraw/zinc/63/19/45/719631945.db2.gz NHRXUSBDDVCGCL-PKNBQFBNSA-N 2 1 468.602 2.924 20 0 JFADMP COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682489 719631955 /nfs/dbraw/zinc/63/19/55/719631955.db2.gz NHRXUSBDDVCGCL-PKNBQFBNSA-N 2 1 468.602 2.924 20 0 JFADMP CC(C)[N@H+](C)Cc1nn([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CC[NH2+]C2 ZINC001164679589 719637096 /nfs/dbraw/zinc/63/70/96/719637096.db2.gz IEEDDJZLSRRWLQ-HSZRJFAPSA-N 2 1 491.015 2.836 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn([C@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CC[NH2+]C2 ZINC001164679589 719637101 /nfs/dbraw/zinc/63/71/01/719637101.db2.gz IEEDDJZLSRRWLQ-HSZRJFAPSA-N 2 1 491.015 2.836 20 0 JFADMP COc1ccc(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c(OC)c1OC ZINC001164679827 719647447 /nfs/dbraw/zinc/64/74/47/719647447.db2.gz OIXUAGRRSQEBNQ-UHFFFAOYSA-N 2 1 452.559 2.841 20 0 JFADMP COc1ccc(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c(OC)c1OC ZINC001164679827 719647450 /nfs/dbraw/zinc/64/74/50/719647450.db2.gz OIXUAGRRSQEBNQ-UHFFFAOYSA-N 2 1 452.559 2.841 20 0 JFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164714839 720134847 /nfs/dbraw/zinc/13/48/47/720134847.db2.gz ZTYFFEJTXAWUDC-QHCPKHFHSA-N 3 1 450.631 2.912 20 0 JFADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164714839 720134864 /nfs/dbraw/zinc/13/48/64/720134864.db2.gz ZTYFFEJTXAWUDC-QHCPKHFHSA-N 2 1 450.631 2.912 20 0 JFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164714839 720134877 /nfs/dbraw/zinc/13/48/77/720134877.db2.gz ZTYFFEJTXAWUDC-QHCPKHFHSA-N 2 1 450.631 2.912 20 0 JFADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718277 720204139 /nfs/dbraw/zinc/20/41/39/720204139.db2.gz ZGFBWRDJOWHTBI-GMAHTHKFSA-N 2 1 453.635 2.973 20 0 JFADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CCC2 ZINC001164812801 720220635 /nfs/dbraw/zinc/22/06/35/720220635.db2.gz JATGIVJTRVWCCJ-UHFFFAOYSA-N 2 1 473.625 2.842 20 0 JFADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[NH+](Cc1ccccc1)C3)CCC2 ZINC001164812801 720220644 /nfs/dbraw/zinc/22/06/44/720220644.db2.gz JATGIVJTRVWCCJ-UHFFFAOYSA-N 2 1 473.625 2.842 20 0 JFADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCC2 ZINC001164812801 720220653 /nfs/dbraw/zinc/22/06/53/720220653.db2.gz JATGIVJTRVWCCJ-UHFFFAOYSA-N 2 1 473.625 2.842 20 0 JFADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001164812801 720220663 /nfs/dbraw/zinc/22/06/63/720220663.db2.gz JATGIVJTRVWCCJ-UHFFFAOYSA-N 2 1 473.625 2.842 20 0 JFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748176 720855998 /nfs/dbraw/zinc/85/59/98/720855998.db2.gz KWFPSXUYQURKGC-PQNGQFLHSA-N 2 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748176 720856003 /nfs/dbraw/zinc/85/60/03/720856003.db2.gz KWFPSXUYQURKGC-PQNGQFLHSA-N 3 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748176 720856004 /nfs/dbraw/zinc/85/60/04/720856004.db2.gz KWFPSXUYQURKGC-PQNGQFLHSA-N 3 1 451.619 2.526 20 0 JFADMP [NH3+]C1CCN(c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756588 720897836 /nfs/dbraw/zinc/89/78/36/720897836.db2.gz QRPGOPVOFRSBQG-KCWPFWIISA-N 2 1 477.657 2.554 20 0 JFADMP [NH3+]C1CCN(c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756589 720898114 /nfs/dbraw/zinc/89/81/14/720898114.db2.gz QRPGOPVOFRSBQG-WNCULLNHSA-N 2 1 477.657 2.554 20 0 JFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164785974 721449174 /nfs/dbraw/zinc/44/91/74/721449174.db2.gz KPWAJUUGMJWYRZ-GOSISDBHSA-N 2 1 450.027 2.510 20 0 JFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)c12 ZINC001164788714 721454667 /nfs/dbraw/zinc/45/46/67/721454667.db2.gz SVHMKNHDRQEXLO-LJQANCHMSA-N 2 1 471.602 2.869 20 0 JFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c12 ZINC001164788714 721454671 /nfs/dbraw/zinc/45/46/71/721454671.db2.gz SVHMKNHDRQEXLO-LJQANCHMSA-N 2 1 471.602 2.869 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)C2)cc1 ZINC001164792654 721484171 /nfs/dbraw/zinc/48/41/71/721484171.db2.gz OETNCVBTXWSCTN-SSPYTLHUSA-N 2 1 457.582 2.588 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)C2)cc1 ZINC001164792654 721484174 /nfs/dbraw/zinc/48/41/74/721484174.db2.gz OETNCVBTXWSCTN-SSPYTLHUSA-N 2 1 457.582 2.588 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@H]2C)CC1 ZINC001286869515 1061262033 /nfs/dbraw/zinc/26/20/33/1061262033.db2.gz FJQNKPIIWPHLMM-ISKFKSNPSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886557 1061329337 /nfs/dbraw/zinc/32/93/37/1061329337.db2.gz FRWJHZKDYDFJFN-RBBKRZOGSA-N 2 1 473.710 2.829 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286886600 1061329725 /nfs/dbraw/zinc/32/97/25/1061329725.db2.gz GBYSLMGQRILRHK-TUACAJSNSA-N 2 1 473.710 2.901 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@H]2C)CC1 ZINC001286886682 1061331058 /nfs/dbraw/zinc/33/10/58/1061331058.db2.gz HMPKZOYXFIHSJU-IRLDBZIGSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887570 1061337656 /nfs/dbraw/zinc/33/76/56/1061337656.db2.gz SPQDRXQOLUUEAZ-FYYLOGMGSA-N 2 1 459.683 2.656 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1C ZINC001289732683 1061343026 /nfs/dbraw/zinc/34/30/26/1061343026.db2.gz JGPIULQKRISMHT-MHZLTWQESA-N 2 1 497.688 2.770 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC001289732683 1061343047 /nfs/dbraw/zinc/34/30/47/1061343047.db2.gz JGPIULQKRISMHT-MHZLTWQESA-N 2 1 497.688 2.770 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289732683 1061343068 /nfs/dbraw/zinc/34/30/68/1061343068.db2.gz JGPIULQKRISMHT-MHZLTWQESA-N 2 1 497.688 2.770 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[NH+](Cc4cccc(F)c4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289986463 1061711761 /nfs/dbraw/zinc/71/17/61/1061711761.db2.gz XTSWBYLWDJPTMZ-UHFFFAOYSA-N 2 1 467.593 2.688 20 0 JFADMP CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294227131 1061741092 /nfs/dbraw/zinc/74/10/92/1061741092.db2.gz ATHBPKYSESIIEI-GHTZIAJQSA-N 2 1 461.680 2.523 20 0 JFADMP CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294227131 1061741114 /nfs/dbraw/zinc/74/11/14/1061741114.db2.gz ATHBPKYSESIIEI-GHTZIAJQSA-N 2 1 461.680 2.523 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294455134 1062002126 /nfs/dbraw/zinc/00/21/26/1062002126.db2.gz DDBKMZOWXHXWPV-UYAOXDASSA-N 2 1 490.722 2.665 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294459984 1062007075 /nfs/dbraw/zinc/00/70/75/1062007075.db2.gz XJFQHHCVLGPBMP-MBSDFSHPSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294459984 1062007102 /nfs/dbraw/zinc/00/71/02/1062007102.db2.gz XJFQHHCVLGPBMP-MBSDFSHPSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294459984 1062007124 /nfs/dbraw/zinc/00/71/24/1062007124.db2.gz XJFQHHCVLGPBMP-MBSDFSHPSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463034 1062012739 /nfs/dbraw/zinc/01/27/39/1062012739.db2.gz NSGFSICFUWTCME-FYYLOGMGSA-N 2 1 455.651 2.865 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001294506158 1062043212 /nfs/dbraw/zinc/04/32/12/1062043212.db2.gz QZAIEPWWETZBSV-HXUWFJFHSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001294506158 1062043235 /nfs/dbraw/zinc/04/32/35/1062043235.db2.gz QZAIEPWWETZBSV-HXUWFJFHSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294506158 1062043256 /nfs/dbraw/zinc/04/32/56/1062043256.db2.gz QZAIEPWWETZBSV-HXUWFJFHSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294506158 1062043278 /nfs/dbraw/zinc/04/32/78/1062043278.db2.gz QZAIEPWWETZBSV-HXUWFJFHSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001294526621 1062063284 /nfs/dbraw/zinc/06/32/84/1062063284.db2.gz HOYFELFIPDEKRS-QHCPKHFHSA-N 2 1 461.680 2.667 20 0 JFADMP CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001294526621 1062063309 /nfs/dbraw/zinc/06/33/09/1062063309.db2.gz HOYFELFIPDEKRS-QHCPKHFHSA-N 2 1 461.680 2.667 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633089 1062142268 /nfs/dbraw/zinc/14/22/68/1062142268.db2.gz LOFXLYMHYITOLW-NHCUHLMSSA-N 2 1 489.709 2.618 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633089 1062142276 /nfs/dbraw/zinc/14/22/76/1062142276.db2.gz LOFXLYMHYITOLW-NHCUHLMSSA-N 2 1 489.709 2.618 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633089 1062142281 /nfs/dbraw/zinc/14/22/81/1062142281.db2.gz LOFXLYMHYITOLW-NHCUHLMSSA-N 2 1 489.709 2.618 20 0 JFADMP CCC[NH+]1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC001294633440 1062143477 /nfs/dbraw/zinc/14/34/77/1062143477.db2.gz ONHRLOKTWFILRV-UHFFFAOYSA-N 2 1 473.691 2.922 20 0 JFADMP CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001294638969 1062154327 /nfs/dbraw/zinc/15/43/27/1062154327.db2.gz RNXLRTOOPCIGNB-PQNGQFLHSA-N 2 1 473.710 2.902 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@@H+]2CCOCC2(C)C)cs1 ZINC001290430640 1062187725 /nfs/dbraw/zinc/18/77/25/1062187725.db2.gz BJRRQXMJYDTLCE-UHFFFAOYSA-N 2 1 461.680 2.523 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CC[N@H+]2CCOCC2(C)C)cs1 ZINC001290430640 1062187733 /nfs/dbraw/zinc/18/77/33/1062187733.db2.gz BJRRQXMJYDTLCE-UHFFFAOYSA-N 2 1 461.680 2.523 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001294668479 1062223113 /nfs/dbraw/zinc/22/31/13/1062223113.db2.gz GVEFZPVAYJZGMC-IBGZPJMESA-N 2 1 459.664 2.532 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669301 1062225272 /nfs/dbraw/zinc/22/52/72/1062225272.db2.gz HHVIUWBLQRTRKQ-DHLKQENFSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669301 1062225291 /nfs/dbraw/zinc/22/52/91/1062225291.db2.gz HHVIUWBLQRTRKQ-DHLKQENFSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669301 1062225312 /nfs/dbraw/zinc/22/53/12/1062225312.db2.gz HHVIUWBLQRTRKQ-DHLKQENFSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[N@@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001294671028 1062229462 /nfs/dbraw/zinc/22/94/62/1062229462.db2.gz VTUKILUNKCTSRO-BHDDXSALSA-N 2 1 462.683 2.697 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001294671028 1062229483 /nfs/dbraw/zinc/22/94/83/1062229483.db2.gz VTUKILUNKCTSRO-BHDDXSALSA-N 2 1 462.683 2.697 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294683646 1062242981 /nfs/dbraw/zinc/24/29/81/1062242981.db2.gz KITJPHHMGLSVGQ-RZUBCFFCSA-N 2 1 459.683 2.908 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001294684217 1062244025 /nfs/dbraw/zinc/24/40/25/1062244025.db2.gz UDHBEPPLZUAIBA-VXKWHMMOSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001294694980 1062256155 /nfs/dbraw/zinc/25/61/55/1062256155.db2.gz XHRCRRUTUZWMPC-YADHBBJMSA-N 2 1 459.683 2.947 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708072 1062273531 /nfs/dbraw/zinc/27/35/31/1062273531.db2.gz QPSDTGRRIPTDES-PKTZIBPZSA-N 2 1 489.709 2.775 20 0 JFADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001290517171 1062317127 /nfs/dbraw/zinc/31/71/27/1062317127.db2.gz AMFFJQQHTUDELK-QFIPXVFZSA-N 2 1 464.618 2.580 20 0 JFADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001290517171 1062317150 /nfs/dbraw/zinc/31/71/50/1062317150.db2.gz AMFFJQQHTUDELK-QFIPXVFZSA-N 2 1 464.618 2.580 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)[NH+](C)C)CC1 ZINC001290567167 1062370019 /nfs/dbraw/zinc/37/00/19/1062370019.db2.gz VPDUJMHBGRFTEN-KRWDZBQOSA-N 2 1 454.598 2.707 20 0 JFADMP CN1CC[N@@H+](CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714480 /nfs/dbraw/zinc/71/44/80/1062714480.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714500 /nfs/dbraw/zinc/71/45/00/1062714500.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714521 /nfs/dbraw/zinc/71/45/21/1062714521.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP C[N@@H+]1CCN(CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714540 /nfs/dbraw/zinc/71/45/40/1062714540.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP C[N@H+]1CCN(CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714562 /nfs/dbraw/zinc/71/45/62/1062714562.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714582 /nfs/dbraw/zinc/71/45/82/1062714582.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820489 1062714600 /nfs/dbraw/zinc/71/46/00/1062714600.db2.gz MICXTSPPSSYMSP-BDYUSTAISA-N 2 1 450.627 2.509 20 0 JFADMP CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329175 1062805160 /nfs/dbraw/zinc/80/51/60/1062805160.db2.gz RTRJEACWAUDNSP-JWQCQUIFSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001287332187 1062809140 /nfs/dbraw/zinc/80/91/40/1062809140.db2.gz JFAQZLDNJDNLIE-QPPBQGQZSA-N 2 1 469.678 2.930 20 0 JFADMP CC(C)Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386403 1062837168 /nfs/dbraw/zinc/83/71/68/1062837168.db2.gz XQTXVTWRJPUNKT-FYYLOGMGSA-N 2 1 470.662 2.622 20 0 JFADMP CC(C)Cc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287414286 1062853794 /nfs/dbraw/zinc/85/37/94/1062853794.db2.gz VAEVWSXWBIIUPD-SZPZYZBQSA-N 2 1 476.710 2.913 20 0 JFADMP CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287414286 1062853806 /nfs/dbraw/zinc/85/38/06/1062853806.db2.gz VAEVWSXWBIIUPD-SZPZYZBQSA-N 2 1 476.710 2.913 20 0 JFADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001290982662 1062869434 /nfs/dbraw/zinc/86/94/34/1062869434.db2.gz YPSHDHXPLIOQSX-SANMLTNESA-N 2 1 452.599 2.724 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287456824 1062895209 /nfs/dbraw/zinc/89/52/09/1062895209.db2.gz RSIMQGKXYIINGH-JOCHJYFZSA-N 2 1 487.718 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287456824 1062895221 /nfs/dbraw/zinc/89/52/21/1062895221.db2.gz RSIMQGKXYIINGH-JOCHJYFZSA-N 2 1 487.718 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287461675 1062898947 /nfs/dbraw/zinc/89/89/47/1062898947.db2.gz ABNHZRAZMGOHNJ-RTWAWAEBSA-N 2 1 473.691 2.584 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461764 1062900161 /nfs/dbraw/zinc/90/01/61/1062900161.db2.gz CARUNYMZHDMOPL-ZRBLBEILSA-N 2 1 487.737 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001287461764 1062900186 /nfs/dbraw/zinc/90/01/86/1062900186.db2.gz CARUNYMZHDMOPL-ZRBLBEILSA-N 2 1 487.737 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001287461764 1062900207 /nfs/dbraw/zinc/90/02/07/1062900207.db2.gz CARUNYMZHDMOPL-ZRBLBEILSA-N 2 1 487.737 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287462317 1062902415 /nfs/dbraw/zinc/90/24/15/1062902415.db2.gz MZZUTXDCWNYVIJ-QHCPKHFHSA-N 2 1 473.710 2.876 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287463158 1062904740 /nfs/dbraw/zinc/90/47/40/1062904740.db2.gz WIAAIBGWFSPXBZ-MCEYFSPLSA-N 2 1 473.710 2.730 20 0 JFADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001291009530 1062907148 /nfs/dbraw/zinc/90/71/48/1062907148.db2.gz HORFCWYEJJGFNV-CWBXHPNXSA-N 2 1 486.709 2.982 20 0 JFADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnn(C)c3)n2CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H](C)O1 ZINC001291009530 1062907173 /nfs/dbraw/zinc/90/71/73/1062907173.db2.gz HORFCWYEJJGFNV-CWBXHPNXSA-N 2 1 486.709 2.982 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001291066541 1063012608 /nfs/dbraw/zinc/01/26/08/1063012608.db2.gz PCQSCJCMGSUBJH-SQJMNOBHSA-N 2 1 459.683 2.945 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001291100995 1063070316 /nfs/dbraw/zinc/07/03/16/1063070316.db2.gz LJAGLHZGPWBCSH-SFTDATJTSA-N 2 1 489.709 2.616 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001291100995 1063070341 /nfs/dbraw/zinc/07/03/41/1063070341.db2.gz LJAGLHZGPWBCSH-SFTDATJTSA-N 2 1 489.709 2.616 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001291100995 1063070355 /nfs/dbraw/zinc/07/03/55/1063070355.db2.gz LJAGLHZGPWBCSH-SFTDATJTSA-N 2 1 489.709 2.616 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)CC1 ZINC001287752529 1063081066 /nfs/dbraw/zinc/08/10/66/1063081066.db2.gz YTLIAWWMRDMUBJ-UHFFFAOYSA-N 2 1 480.455 2.536 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295326920 1063219190 /nfs/dbraw/zinc/21/91/90/1063219190.db2.gz GNPAKYPFZWDMSR-PKTZIBPZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295326920 1063219210 /nfs/dbraw/zinc/21/92/10/1063219210.db2.gz GNPAKYPFZWDMSR-PKTZIBPZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326920 1063219229 /nfs/dbraw/zinc/21/92/29/1063219229.db2.gz GNPAKYPFZWDMSR-PKTZIBPZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326920 1063219250 /nfs/dbraw/zinc/21/92/50/1063219250.db2.gz GNPAKYPFZWDMSR-PKTZIBPZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001295327528 1063224291 /nfs/dbraw/zinc/22/42/91/1063224291.db2.gz WJFLPGUCEORJSN-UHFFFAOYSA-N 2 1 496.704 2.843 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)CC1 ZINC001295327528 1063224311 /nfs/dbraw/zinc/22/43/11/1063224311.db2.gz WJFLPGUCEORJSN-UHFFFAOYSA-N 2 1 496.704 2.843 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001295327528 1063224332 /nfs/dbraw/zinc/22/43/32/1063224332.db2.gz WJFLPGUCEORJSN-UHFFFAOYSA-N 2 1 496.704 2.843 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295327528 1063224355 /nfs/dbraw/zinc/22/43/55/1063224355.db2.gz WJFLPGUCEORJSN-UHFFFAOYSA-N 2 1 496.704 2.843 20 0 JFADMP CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179752 1063268796 /nfs/dbraw/zinc/26/87/96/1063268796.db2.gz LXSMKZDZDRBPOE-JOCHJYFZSA-N 2 1 459.683 2.689 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC(C)CC2)CC1 ZINC001291179576 1063268854 /nfs/dbraw/zinc/26/88/54/1063268854.db2.gz HILBNOMYEWJOBM-UHFFFAOYSA-N 2 1 459.683 2.947 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001291181689 1063275878 /nfs/dbraw/zinc/27/58/78/1063275878.db2.gz PSKPQPWSQDGWAF-UHFFFAOYSA-N 2 1 459.683 2.993 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295364083 1063325474 /nfs/dbraw/zinc/32/54/74/1063325474.db2.gz DRXLYYIMTVFAKT-SFTDATJTSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295371002 1063336733 /nfs/dbraw/zinc/33/67/33/1063336733.db2.gz OEBSJPGQSZVJDM-YZUZCNPQSA-N 2 1 497.688 2.673 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295371001 1063336949 /nfs/dbraw/zinc/33/69/49/1063336949.db2.gz OEBSJPGQSZVJDM-PQNGQFLHSA-N 2 1 497.688 2.673 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295374285 1063343127 /nfs/dbraw/zinc/34/31/27/1063343127.db2.gz WMCZEGBCWZEGGW-AQNXPRMDSA-N 2 1 496.660 2.870 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295374285 1063343143 /nfs/dbraw/zinc/34/31/43/1063343143.db2.gz WMCZEGBCWZEGGW-AQNXPRMDSA-N 2 1 496.660 2.870 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001295390988 1063372312 /nfs/dbraw/zinc/37/23/12/1063372312.db2.gz CQUXGYINIMUNPN-FYYLOGMGSA-N 2 1 461.699 2.855 20 0 JFADMP C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291214440 1063414388 /nfs/dbraw/zinc/41/43/88/1063414388.db2.gz WQXDUKKVQGOWOO-UWVAXJGDSA-N 2 1 464.561 2.654 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483809 1063509065 /nfs/dbraw/zinc/50/90/65/1063509065.db2.gz IMAXMRSTEIUNQV-PKTZIBPZSA-N 2 1 489.709 2.631 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001295509350 1063544819 /nfs/dbraw/zinc/54/48/19/1063544819.db2.gz VFZBJBHJTLGSET-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001295509350 1063544831 /nfs/dbraw/zinc/54/48/31/1063544831.db2.gz VFZBJBHJTLGSET-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291275093 1063582461 /nfs/dbraw/zinc/58/24/61/1063582461.db2.gz MMXRFBJLXDWEPX-JTHBVZDNSA-N 2 1 470.662 2.644 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001295559442 1063591873 /nfs/dbraw/zinc/59/18/73/1063591873.db2.gz HEQANGOINSXALW-HXUWFJFHSA-N 2 1 490.722 2.889 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001295569863 1063604907 /nfs/dbraw/zinc/60/49/07/1063604907.db2.gz IFOSMSIEAWXHFN-YADHBBJMSA-N 2 1 472.682 2.560 20 0 JFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001291288410 1063648317 /nfs/dbraw/zinc/64/83/17/1063648317.db2.gz RTPIUHOFNYLFJT-HXUWFJFHSA-N 2 1 450.635 2.977 20 0 JFADMP CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288627 1063651317 /nfs/dbraw/zinc/65/13/17/1063651317.db2.gz WBKPOHAMWYZUFP-JOCHJYFZSA-N 2 1 472.682 2.700 20 0 JFADMP C[C@H]1C[N@@H+](CCCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295350 1063694357 /nfs/dbraw/zinc/69/43/57/1063694357.db2.gz YBEQJSRRTKPMGW-QFIPXVFZSA-N 2 1 486.709 2.874 20 0 JFADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001295821044 1063827326 /nfs/dbraw/zinc/82/73/26/1063827326.db2.gz LOVJLSOHEAALSE-NRFANRHFSA-N 2 1 459.683 2.993 20 0 JFADMP CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001295824511 1063832092 /nfs/dbraw/zinc/83/20/92/1063832092.db2.gz FFDBPGHVXIEGFR-SFHVURJKSA-N 2 1 494.482 2.925 20 0 JFADMP CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001295833700 1063848594 /nfs/dbraw/zinc/84/85/94/1063848594.db2.gz BYTFNOGBGLZADV-DHLKQENFSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001295833700 1063848604 /nfs/dbraw/zinc/84/86/04/1063848604.db2.gz BYTFNOGBGLZADV-DHLKQENFSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC001295853878 1063881489 /nfs/dbraw/zinc/88/14/89/1063881489.db2.gz BFPMIUFXWBQUFK-XMMPIXPASA-N 2 1 481.689 2.650 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC001295853878 1063881497 /nfs/dbraw/zinc/88/14/97/1063881497.db2.gz BFPMIUFXWBQUFK-XMMPIXPASA-N 2 1 481.689 2.650 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001295853878 1063881503 /nfs/dbraw/zinc/88/15/03/1063881503.db2.gz BFPMIUFXWBQUFK-XMMPIXPASA-N 2 1 481.689 2.650 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854680 1063883986 /nfs/dbraw/zinc/88/39/86/1063883986.db2.gz YCGMSDOQXHLPMV-RTBURBONSA-N 2 1 488.599 2.746 20 0 JFADMP CC[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854680 1063883998 /nfs/dbraw/zinc/88/39/98/1063883998.db2.gz YCGMSDOQXHLPMV-RTBURBONSA-N 2 1 488.599 2.746 20 0 JFADMP CC[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854680 1063884013 /nfs/dbraw/zinc/88/40/13/1063884013.db2.gz YCGMSDOQXHLPMV-RTBURBONSA-N 2 1 488.599 2.746 20 0 JFADMP CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001295866300 1063900412 /nfs/dbraw/zinc/90/04/12/1063900412.db2.gz JVAQFKMYZBSYGH-OALUTQOASA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)C(C)C ZINC001295866300 1063900423 /nfs/dbraw/zinc/90/04/23/1063900423.db2.gz JVAQFKMYZBSYGH-OALUTQOASA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001295866300 1063900441 /nfs/dbraw/zinc/90/04/41/1063900441.db2.gz JVAQFKMYZBSYGH-OALUTQOASA-N 2 1 461.680 2.919 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001295977445 1064023977 /nfs/dbraw/zinc/02/39/77/1064023977.db2.gz KQMCRNFHULMJFC-VQTJNVASSA-N 2 1 468.650 2.647 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001295977860 1064024994 /nfs/dbraw/zinc/02/49/94/1064024994.db2.gz QGRKKPLZRVDKAD-IKGGRYGDSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001295977860 1064025007 /nfs/dbraw/zinc/02/50/07/1064025007.db2.gz QGRKKPLZRVDKAD-IKGGRYGDSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001295977860 1064025016 /nfs/dbraw/zinc/02/50/16/1064025016.db2.gz QGRKKPLZRVDKAD-IKGGRYGDSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001295977860 1064025024 /nfs/dbraw/zinc/02/50/24/1064025024.db2.gz QGRKKPLZRVDKAD-IKGGRYGDSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001295977867 1064025074 /nfs/dbraw/zinc/02/50/74/1064025074.db2.gz QGRKKPLZRVDKAD-YESZJQIVSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001295977867 1064025078 /nfs/dbraw/zinc/02/50/78/1064025078.db2.gz QGRKKPLZRVDKAD-YESZJQIVSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001295977867 1064025086 /nfs/dbraw/zinc/02/50/86/1064025086.db2.gz QGRKKPLZRVDKAD-YESZJQIVSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001295977867 1064025093 /nfs/dbraw/zinc/02/50/93/1064025093.db2.gz QGRKKPLZRVDKAD-YESZJQIVSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001295978346 1064025404 /nfs/dbraw/zinc/02/54/04/1064025404.db2.gz RQMIINPXRAWSBY-DYXWJJEUSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978346 1064025407 /nfs/dbraw/zinc/02/54/07/1064025407.db2.gz RQMIINPXRAWSBY-DYXWJJEUSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978346 1064025410 /nfs/dbraw/zinc/02/54/10/1064025410.db2.gz RQMIINPXRAWSBY-DYXWJJEUSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001295978349 1064025631 /nfs/dbraw/zinc/02/56/31/1064025631.db2.gz RQMIINPXRAWSBY-ZJOUEHCJSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978349 1064025638 /nfs/dbraw/zinc/02/56/38/1064025638.db2.gz RQMIINPXRAWSBY-ZJOUEHCJSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978349 1064025647 /nfs/dbraw/zinc/02/56/47/1064025647.db2.gz RQMIINPXRAWSBY-ZJOUEHCJSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C1CC1 ZINC001295978778 1064026395 /nfs/dbraw/zinc/02/63/95/1064026395.db2.gz SWDNMLXXXXYATM-RTBURBONSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C1CC1 ZINC001295978778 1064026399 /nfs/dbraw/zinc/02/63/99/1064026399.db2.gz SWDNMLXXXXYATM-RTBURBONSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C1CC1 ZINC001295978778 1064026404 /nfs/dbraw/zinc/02/64/04/1064026404.db2.gz SWDNMLXXXXYATM-RTBURBONSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C1CC1 ZINC001295978772 1064026595 /nfs/dbraw/zinc/02/65/95/1064026595.db2.gz SWDNMLXXXXYATM-OALUTQOASA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978772 1064026602 /nfs/dbraw/zinc/02/66/02/1064026602.db2.gz SWDNMLXXXXYATM-OALUTQOASA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978772 1064026612 /nfs/dbraw/zinc/02/66/12/1064026612.db2.gz SWDNMLXXXXYATM-OALUTQOASA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001295979646 1064028002 /nfs/dbraw/zinc/02/80/02/1064028002.db2.gz WVJJYVQECSSSMA-FHWLQOOXSA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001295979646 1064028008 /nfs/dbraw/zinc/02/80/08/1064028008.db2.gz WVJJYVQECSSSMA-FHWLQOOXSA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001295979646 1064028014 /nfs/dbraw/zinc/02/80/14/1064028014.db2.gz WVJJYVQECSSSMA-FHWLQOOXSA-N 2 1 474.675 2.750 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291470655 1064031406 /nfs/dbraw/zinc/03/14/06/1064031406.db2.gz SZRUPOLDNIGSGJ-QZNHQXDQSA-N 2 1 461.699 2.899 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC001295981031 1064031519 /nfs/dbraw/zinc/03/15/19/1064031519.db2.gz QNWXKOMCWFOFMW-MJCUULBUSA-N 2 1 497.754 2.564 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295981032 1064031571 /nfs/dbraw/zinc/03/15/71/1064031571.db2.gz QNWXKOMCWFOFMW-SSTJLMRISA-N 2 1 497.754 2.564 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295981032 1064031581 /nfs/dbraw/zinc/03/15/81/1064031581.db2.gz QNWXKOMCWFOFMW-SSTJLMRISA-N 2 1 497.754 2.564 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC001295981032 1064031587 /nfs/dbraw/zinc/03/15/87/1064031587.db2.gz QNWXKOMCWFOFMW-SSTJLMRISA-N 2 1 497.754 2.564 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001295982081 1064033784 /nfs/dbraw/zinc/03/37/84/1064033784.db2.gz WIYAIGDCWUOZPS-ACRUOGEOSA-N 2 1 468.650 2.966 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984127 1064041060 /nfs/dbraw/zinc/04/10/60/1064041060.db2.gz LOBBPFLGIMXOSR-VQTJNVASSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984127 1064041070 /nfs/dbraw/zinc/04/10/70/1064041070.db2.gz LOBBPFLGIMXOSR-VQTJNVASSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984127 1064041079 /nfs/dbraw/zinc/04/10/79/1064041079.db2.gz LOBBPFLGIMXOSR-VQTJNVASSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984127 1064041087 /nfs/dbraw/zinc/04/10/87/1064041087.db2.gz LOBBPFLGIMXOSR-VQTJNVASSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001295984129 1064041168 /nfs/dbraw/zinc/04/11/68/1064041168.db2.gz LOBBPFLGIMXOSR-WOJBJXKFSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001295984129 1064041175 /nfs/dbraw/zinc/04/11/75/1064041175.db2.gz LOBBPFLGIMXOSR-WOJBJXKFSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001295984129 1064041177 /nfs/dbraw/zinc/04/11/77/1064041177.db2.gz LOBBPFLGIMXOSR-WOJBJXKFSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001295984129 1064041184 /nfs/dbraw/zinc/04/11/84/1064041184.db2.gz LOBBPFLGIMXOSR-WOJBJXKFSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296002966 1064057973 /nfs/dbraw/zinc/05/79/73/1064057973.db2.gz PDHORRDYOMNKLF-PMACEKPBSA-N 2 1 458.626 2.774 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509550 1064060652 /nfs/dbraw/zinc/06/06/52/1064060652.db2.gz GFYBJUPXRZAHDJ-GPJHCHHRSA-N 2 1 475.726 2.896 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001296010428 1064068518 /nfs/dbraw/zinc/06/85/18/1064068518.db2.gz LDIKUNUOKFLBDO-KSZLIROESA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001296010428 1064068527 /nfs/dbraw/zinc/06/85/27/1064068527.db2.gz LDIKUNUOKFLBDO-KSZLIROESA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001296010428 1064068533 /nfs/dbraw/zinc/06/85/33/1064068533.db2.gz LDIKUNUOKFLBDO-KSZLIROESA-N 2 1 459.664 2.671 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001296010425 1064068713 /nfs/dbraw/zinc/06/87/13/1064068713.db2.gz LDIKUNUOKFLBDO-BZSNNMDCSA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001296010425 1064068721 /nfs/dbraw/zinc/06/87/21/1064068721.db2.gz LDIKUNUOKFLBDO-BZSNNMDCSA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001296010425 1064068728 /nfs/dbraw/zinc/06/87/28/1064068728.db2.gz LDIKUNUOKFLBDO-BZSNNMDCSA-N 2 1 459.664 2.671 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@@H]1C ZINC001296011884 1064072093 /nfs/dbraw/zinc/07/20/93/1064072093.db2.gz XGRMLDOKCAIRNO-IBGGVINMSA-N 2 1 497.732 2.969 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@H]1C ZINC001296011887 1064072176 /nfs/dbraw/zinc/07/21/76/1064072176.db2.gz XGRMLDOKCAIRNO-NYULUDCUSA-N 2 1 497.732 2.969 20 0 JFADMP CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001296025177 1064085393 /nfs/dbraw/zinc/08/53/93/1064085393.db2.gz NQWWKPQSSKOMDU-JOCHJYFZSA-N 2 1 473.710 2.732 20 0 JFADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001291580870 1064109969 /nfs/dbraw/zinc/10/99/69/1064109969.db2.gz BUEVLKZXCZAGJV-JOCHJYFZSA-N 2 1 481.689 2.840 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296059897 1064123380 /nfs/dbraw/zinc/12/33/80/1064123380.db2.gz KJUYKEDFHARSAP-CTNGQTDRSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296059897 1064123386 /nfs/dbraw/zinc/12/33/86/1064123386.db2.gz KJUYKEDFHARSAP-CTNGQTDRSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296059897 1064123391 /nfs/dbraw/zinc/12/33/91/1064123391.db2.gz KJUYKEDFHARSAP-CTNGQTDRSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296084739 1064152305 /nfs/dbraw/zinc/15/23/05/1064152305.db2.gz ODVHCOQIHYBDHJ-SFTDATJTSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296084739 1064152308 /nfs/dbraw/zinc/15/23/08/1064152308.db2.gz ODVHCOQIHYBDHJ-SFTDATJTSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296084739 1064152310 /nfs/dbraw/zinc/15/23/10/1064152310.db2.gz ODVHCOQIHYBDHJ-SFTDATJTSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296086885 1064155101 /nfs/dbraw/zinc/15/51/01/1064155101.db2.gz BQCKPICJKIUWKX-UNMCSNQZSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001296093758 1064166044 /nfs/dbraw/zinc/16/60/44/1064166044.db2.gz RAMVZOPUCZDNJI-QHCPKHFHSA-N 2 1 455.651 2.685 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001296093758 1064166051 /nfs/dbraw/zinc/16/60/51/1064166051.db2.gz RAMVZOPUCZDNJI-QHCPKHFHSA-N 2 1 455.651 2.685 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626806 1064167748 /nfs/dbraw/zinc/16/77/48/1064167748.db2.gz AJCPDMNAAAIFNJ-UPVQGACJSA-N 2 1 483.705 2.673 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630162 1064175390 /nfs/dbraw/zinc/17/53/90/1064175390.db2.gz RPMGCXYKMQHORV-VXKWHMMOSA-N 3 1 454.667 2.929 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630162 1064175393 /nfs/dbraw/zinc/17/53/93/1064175393.db2.gz RPMGCXYKMQHORV-VXKWHMMOSA-N 2 1 454.667 2.929 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630162 1064175398 /nfs/dbraw/zinc/17/53/98/1064175398.db2.gz RPMGCXYKMQHORV-VXKWHMMOSA-N 2 1 454.667 2.929 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC001296118736 1064201835 /nfs/dbraw/zinc/20/18/35/1064201835.db2.gz IYXTZONRVMUMEQ-FGZHOGPDSA-N 2 1 473.710 2.725 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](C)[NH+](C)C)CC2)CC1 ZINC001296119098 1064203534 /nfs/dbraw/zinc/20/35/34/1064203534.db2.gz OQUWYJYTOKHMSX-LJQANCHMSA-N 2 1 471.650 2.567 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C)n4)n3CC[N@H+](C)C(C)C)CC2)CC1 ZINC001296119253 1064203940 /nfs/dbraw/zinc/20/39/40/1064203940.db2.gz QGEYOMWQTJDMHD-UHFFFAOYSA-N 2 1 496.704 2.759 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccc(C)n4)n3CC[N@@H+](C)C(C)C)CC2)CC1 ZINC001296119253 1064203945 /nfs/dbraw/zinc/20/39/45/1064203945.db2.gz QGEYOMWQTJDMHD-UHFFFAOYSA-N 2 1 496.704 2.759 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001296125064 1064217838 /nfs/dbraw/zinc/21/78/38/1064217838.db2.gz KXZOGEONKXYMIY-JOCHJYFZSA-N 2 1 468.694 2.924 20 0 JFADMP CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296132977 1064232344 /nfs/dbraw/zinc/23/23/44/1064232344.db2.gz SAFXTISVWOIEHK-QFIPXVFZSA-N 2 1 468.694 2.985 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296132977 1064232350 /nfs/dbraw/zinc/23/23/50/1064232350.db2.gz SAFXTISVWOIEHK-QFIPXVFZSA-N 2 1 468.694 2.985 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296132977 1064232353 /nfs/dbraw/zinc/23/23/53/1064232353.db2.gz SAFXTISVWOIEHK-QFIPXVFZSA-N 2 1 468.694 2.985 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291759418 1064239271 /nfs/dbraw/zinc/23/92/71/1064239271.db2.gz DYIDNKMNKXETLV-SXWKCWPCSA-N 2 1 456.635 2.841 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291759418 1064239283 /nfs/dbraw/zinc/23/92/83/1064239283.db2.gz DYIDNKMNKXETLV-SXWKCWPCSA-N 2 1 456.635 2.841 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137479 1064243660 /nfs/dbraw/zinc/24/36/60/1064243660.db2.gz PJBAEJZSCOHETQ-SFTDATJTSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137479 1064243667 /nfs/dbraw/zinc/24/36/67/1064243667.db2.gz PJBAEJZSCOHETQ-SFTDATJTSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137479 1064243676 /nfs/dbraw/zinc/24/36/76/1064243676.db2.gz PJBAEJZSCOHETQ-SFTDATJTSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2ccc(Cn3c(N(C)CC[N@@H+]4CCOC(C)(C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001296137882 1064244295 /nfs/dbraw/zinc/24/42/95/1064244295.db2.gz SKPOSHPULWWAQV-UHFFFAOYSA-N 2 1 498.720 2.708 20 0 JFADMP CC[NH+]1CCN(c2ccc(Cn3c(N(C)CC[N@H+]4CCOC(C)(C)C4)nnc3C(C)(C)C)cn2)CC1 ZINC001296137882 1064244302 /nfs/dbraw/zinc/24/43/02/1064244302.db2.gz SKPOSHPULWWAQV-UHFFFAOYSA-N 2 1 498.720 2.708 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001291763797 1064244696 /nfs/dbraw/zinc/24/46/96/1064244696.db2.gz XJZCGAAVNZKYHH-INIZCTEOSA-N 2 1 468.444 2.534 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001291763797 1064244702 /nfs/dbraw/zinc/24/47/02/1064244702.db2.gz XJZCGAAVNZKYHH-INIZCTEOSA-N 2 1 468.444 2.534 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291764926 1064245748 /nfs/dbraw/zinc/24/57/48/1064245748.db2.gz HGXZOQHJLPWGIF-LJQANCHMSA-N 2 1 466.638 2.618 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001291765699 1064246860 /nfs/dbraw/zinc/24/68/60/1064246860.db2.gz PIOUGDIGYHXALE-FQEVSTJZSA-N 2 1 480.665 2.962 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291765699 1064246866 /nfs/dbraw/zinc/24/68/66/1064246866.db2.gz PIOUGDIGYHXALE-FQEVSTJZSA-N 2 1 480.665 2.962 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291765699 1064246875 /nfs/dbraw/zinc/24/68/75/1064246875.db2.gz PIOUGDIGYHXALE-FQEVSTJZSA-N 2 1 480.665 2.962 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291765879 1064247298 /nfs/dbraw/zinc/24/72/98/1064247298.db2.gz QZAZVPLUGDOZAH-MOPGFXCFSA-N 2 1 462.042 2.882 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291765879 1064247305 /nfs/dbraw/zinc/24/73/05/1064247305.db2.gz QZAZVPLUGDOZAH-MOPGFXCFSA-N 2 1 462.042 2.882 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142453 1064249579 /nfs/dbraw/zinc/24/95/79/1064249579.db2.gz LOFLTDQNKLUJPB-BDTNDASRSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142453 1064249585 /nfs/dbraw/zinc/24/95/85/1064249585.db2.gz LOFLTDQNKLUJPB-BDTNDASRSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142453 1064249591 /nfs/dbraw/zinc/24/95/91/1064249591.db2.gz LOFLTDQNKLUJPB-BDTNDASRSA-N 2 1 470.662 2.979 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771508 1064254293 /nfs/dbraw/zinc/25/42/93/1064254293.db2.gz GKNIIUQTJYMCLO-BVSLBCMMSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291771508 1064254298 /nfs/dbraw/zinc/25/42/98/1064254298.db2.gz GKNIIUQTJYMCLO-BVSLBCMMSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291771508 1064254303 /nfs/dbraw/zinc/25/43/03/1064254303.db2.gz GKNIIUQTJYMCLO-BVSLBCMMSA-N 2 1 453.635 2.670 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296148282 1064259455 /nfs/dbraw/zinc/25/94/55/1064259455.db2.gz VNRZXYXTLIKGHR-VQTJNVASSA-N 2 1 454.623 2.578 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001296156370 1064268758 /nfs/dbraw/zinc/26/87/58/1064268758.db2.gz UBANYXDEMHHCPF-LJQANCHMSA-N 2 1 453.591 2.709 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@@H]1C ZINC001296157459 1064269914 /nfs/dbraw/zinc/26/99/14/1064269914.db2.gz XPEWBLWBJDVOKV-ZVDOUQERSA-N 2 1 453.635 2.889 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782474 1064271567 /nfs/dbraw/zinc/27/15/67/1064271567.db2.gz PGPILCHCQHTZMV-LADGPHEKSA-N 2 1 468.694 2.599 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291783131 1064275127 /nfs/dbraw/zinc/27/51/27/1064275127.db2.gz JMMMLVANTCMXQW-QHCPKHFHSA-N 2 1 499.752 2.865 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291783131 1064275146 /nfs/dbraw/zinc/27/51/46/1064275146.db2.gz JMMMLVANTCMXQW-QHCPKHFHSA-N 2 1 499.752 2.865 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291783131 1064275156 /nfs/dbraw/zinc/27/51/56/1064275156.db2.gz JMMMLVANTCMXQW-QHCPKHFHSA-N 2 1 499.752 2.865 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277531 /nfs/dbraw/zinc/27/75/31/1064277531.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277541 /nfs/dbraw/zinc/27/75/41/1064277541.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296163244 1064277553 /nfs/dbraw/zinc/27/75/53/1064277553.db2.gz SMXZOQBFZPOBIA-IFMALSPDSA-N 2 1 458.626 2.895 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277687 /nfs/dbraw/zinc/27/76/87/1064277687.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277693 /nfs/dbraw/zinc/27/76/93/1064277693.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296163245 1064277710 /nfs/dbraw/zinc/27/77/10/1064277710.db2.gz SMXZOQBFZPOBIA-IRLDBZIGSA-N 2 1 458.626 2.895 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296166224 1064287749 /nfs/dbraw/zinc/28/77/49/1064287749.db2.gz NHBGFRHKKJANAT-YADHBBJMSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296166224 1064287764 /nfs/dbraw/zinc/28/77/64/1064287764.db2.gz NHBGFRHKKJANAT-YADHBBJMSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001296166720 1064288411 /nfs/dbraw/zinc/28/84/11/1064288411.db2.gz OYZIHHZOXXBGFL-VQTJNVASSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001296166721 1064288456 /nfs/dbraw/zinc/28/84/56/1064288456.db2.gz OYZIHHZOXXBGFL-WOJBJXKFSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1C ZINC001296167347 1064289530 /nfs/dbraw/zinc/28/95/30/1064289530.db2.gz GLBDPLFOMXVULX-OAQYLSRUSA-N 2 1 463.630 2.783 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296167122 1064289677 /nfs/dbraw/zinc/28/96/77/1064289677.db2.gz QSHWTETUFLVXIV-RTBURBONSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296167122 1064289693 /nfs/dbraw/zinc/28/96/93/1064289693.db2.gz QSHWTETUFLVXIV-RTBURBONSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296167122 1064289706 /nfs/dbraw/zinc/28/97/06/1064289706.db2.gz QSHWTETUFLVXIV-RTBURBONSA-N 2 1 459.664 2.532 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174702 1064302701 /nfs/dbraw/zinc/30/27/01/1064302701.db2.gz RWRMNIDNWXYNEU-LADGPHEKSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174702 1064302712 /nfs/dbraw/zinc/30/27/12/1064302712.db2.gz RWRMNIDNWXYNEU-LADGPHEKSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174702 1064302723 /nfs/dbraw/zinc/30/27/23/1064302723.db2.gz RWRMNIDNWXYNEU-LADGPHEKSA-N 2 1 497.688 2.639 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296175241 1064303889 /nfs/dbraw/zinc/30/38/89/1064303889.db2.gz VUQAHJHTMAXAQW-HXUWFJFHSA-N 2 1 472.634 2.507 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181926 1064319937 /nfs/dbraw/zinc/31/99/37/1064319937.db2.gz HKOTUPGGHISRBT-ZJSXRUAMSA-N 2 1 471.669 2.955 20 0 JFADMP CC[NH+]1CCN(CCCn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296215624 1064418110 /nfs/dbraw/zinc/41/81/10/1064418110.db2.gz UROURDLQDHYOQT-UHFFFAOYSA-N 2 1 487.668 2.944 20 0 JFADMP CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296215624 1064418116 /nfs/dbraw/zinc/41/81/16/1064418116.db2.gz UROURDLQDHYOQT-UHFFFAOYSA-N 2 1 487.668 2.944 20 0 JFADMP CCN1CC[NH+](CCCn2c(COc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296215624 1064418120 /nfs/dbraw/zinc/41/81/20/1064418120.db2.gz UROURDLQDHYOQT-UHFFFAOYSA-N 2 1 487.668 2.944 20 0 JFADMP CC[C@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888807 1064513428 /nfs/dbraw/zinc/51/34/28/1064513428.db2.gz RGLZEQDUZHZWFK-ZEQRLZLVSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888807 1064513444 /nfs/dbraw/zinc/51/34/44/1064513444.db2.gz RGLZEQDUZHZWFK-ZEQRLZLVSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888807 1064513459 /nfs/dbraw/zinc/51/34/59/1064513459.db2.gz RGLZEQDUZHZWFK-ZEQRLZLVSA-N 2 1 481.689 2.903 20 0 JFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001291919629 1064541282 /nfs/dbraw/zinc/54/12/82/1064541282.db2.gz MDFXDHJAGTYENV-MRXNPFEDSA-N 2 1 455.563 2.533 20 0 JFADMP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001292003861 1064623630 /nfs/dbraw/zinc/62/36/30/1064623630.db2.gz DTIIDFDUMNCAMA-OAQYLSRUSA-N 2 1 450.649 2.930 20 0 JFADMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001292003861 1064623641 /nfs/dbraw/zinc/62/36/41/1064623641.db2.gz DTIIDFDUMNCAMA-OAQYLSRUSA-N 2 1 450.649 2.930 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@@H+](C3CCCC3)CC2)n1CCn1cc[nH+]c1C ZINC001292104879 1064797748 /nfs/dbraw/zinc/79/77/48/1064797748.db2.gz KGILMIBXMRIHSK-UHFFFAOYSA-N 2 1 456.639 2.856 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC[N@H+](C3CCCC3)CC2)n1CCn1cc[nH+]c1C ZINC001292104879 1064797756 /nfs/dbraw/zinc/79/77/56/1064797756.db2.gz KGILMIBXMRIHSK-UHFFFAOYSA-N 2 1 456.639 2.856 20 0 JFADMP CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2CC[N@H+]2CCC[C@@H]2C)cc1 ZINC001292513262 1065232746 /nfs/dbraw/zinc/23/27/46/1065232746.db2.gz BJSAPMQLSQWFIK-QFIPXVFZSA-N 2 1 481.689 2.982 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001292616047 1065350149 /nfs/dbraw/zinc/35/01/49/1065350149.db2.gz XTAGRIXMDYXSGV-JOCHJYFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001292616047 1065350156 /nfs/dbraw/zinc/35/01/56/1065350156.db2.gz XTAGRIXMDYXSGV-JOCHJYFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCC[NH+](C)C(C)C ZINC001292616047 1065350173 /nfs/dbraw/zinc/35/01/73/1065350173.db2.gz XTAGRIXMDYXSGV-JOCHJYFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCC[NH+](C)C(C)C ZINC001292616047 1065350180 /nfs/dbraw/zinc/35/01/80/1065350180.db2.gz XTAGRIXMDYXSGV-JOCHJYFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292616789 1065351706 /nfs/dbraw/zinc/35/17/06/1065351706.db2.gz XZEDZCBCGBSIRG-GOTSBHOMSA-N 2 1 483.705 2.976 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892481 1065590242 /nfs/dbraw/zinc/59/02/42/1065590242.db2.gz DRRIKEGDLRNEJN-SQJMNOBHSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892481 1065590252 /nfs/dbraw/zinc/59/02/52/1065590252.db2.gz DRRIKEGDLRNEJN-SQJMNOBHSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892481 1065590263 /nfs/dbraw/zinc/59/02/63/1065590263.db2.gz DRRIKEGDLRNEJN-SQJMNOBHSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001293068068 1065719618 /nfs/dbraw/zinc/71/96/18/1065719618.db2.gz AWGQLBXGRSXLKZ-UHFFFAOYSA-N 2 1 471.669 2.966 20 0 JFADMP CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293068068 1065719631 /nfs/dbraw/zinc/71/96/31/1065719631.db2.gz AWGQLBXGRSXLKZ-UHFFFAOYSA-N 2 1 471.669 2.966 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001293068068 1065719642 /nfs/dbraw/zinc/71/96/42/1065719642.db2.gz AWGQLBXGRSXLKZ-UHFFFAOYSA-N 2 1 471.669 2.966 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293093739 1065742692 /nfs/dbraw/zinc/74/26/92/1065742692.db2.gz IXLNUMQSLRGZNJ-UNMCSNQZSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293093739 1065742704 /nfs/dbraw/zinc/74/27/04/1065742704.db2.gz IXLNUMQSLRGZNJ-UNMCSNQZSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293131341 1065783409 /nfs/dbraw/zinc/78/34/09/1065783409.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@H]1C ZINC001293131341 1065783425 /nfs/dbraw/zinc/78/34/25/1065783425.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@H]1C ZINC001293131341 1065783436 /nfs/dbraw/zinc/78/34/36/1065783436.db2.gz OGQWJPZXRRQPTQ-DNQXCXABSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293132050 1065784433 /nfs/dbraw/zinc/78/44/33/1065784433.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 2 1 483.705 2.572 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001293132050 1065784445 /nfs/dbraw/zinc/78/44/45/1065784445.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 2 1 483.705 2.572 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001293132050 1065784454 /nfs/dbraw/zinc/78/44/54/1065784454.db2.gz UVPQZQBDAYYIGM-RUZDIDTESA-N 2 1 483.705 2.572 20 0 JFADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001293359143 1065963888 /nfs/dbraw/zinc/96/38/88/1065963888.db2.gz LNVKOLYTCINGRA-RPWUZVMVSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001293359143 1065963902 /nfs/dbraw/zinc/96/39/02/1065963902.db2.gz LNVKOLYTCINGRA-RPWUZVMVSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361410 1065965535 /nfs/dbraw/zinc/96/55/35/1065965535.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001293361410 1065965549 /nfs/dbraw/zinc/96/55/49/1065965549.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293361410 1065965563 /nfs/dbraw/zinc/96/55/63/1065965563.db2.gz AGIGBFAVMXKWRB-ZEQRLZLVSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001293374508 1065979815 /nfs/dbraw/zinc/97/98/15/1065979815.db2.gz VSFLUWHHCXMQMX-BHDDXSALSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293556942 1066071104 /nfs/dbraw/zinc/07/11/04/1066071104.db2.gz KQWOOQZSVFGFPJ-SQJMNOBHSA-N 2 1 488.702 2.938 20 0 JFADMP CC[C@@H]1CN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001293584161 1066093642 /nfs/dbraw/zinc/09/36/42/1066093642.db2.gz TZXIVVBATKOLFT-HXUWFJFHSA-N 2 1 450.697 2.920 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293609098 1066124194 /nfs/dbraw/zinc/12/41/94/1066124194.db2.gz PSQLPSAFVADYIA-NJNPRVFISA-N 2 1 462.589 2.644 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293612279 1066128113 /nfs/dbraw/zinc/12/81/13/1066128113.db2.gz LOGWSKSKJUTYRR-XPNTWCBSSA-N 2 1 455.651 2.541 20 0 JFADMP CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293624120 1066140117 /nfs/dbraw/zinc/14/01/17/1066140117.db2.gz VCNHIZYLQKGIDR-XUZZJYLKSA-N 2 1 464.724 2.995 20 0 JFADMP CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293637387 1066155187 /nfs/dbraw/zinc/15/51/87/1066155187.db2.gz FPWQQESQMCYSFY-MQSCRBSSSA-N 2 1 456.635 2.663 20 0 JFADMP CCC[C@@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1CCOC ZINC001294061312 1066533468 /nfs/dbraw/zinc/53/34/68/1066533468.db2.gz QGHASYIJLCQNOX-XMMPIXPASA-N 2 1 470.662 2.529 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294065676 1066536529 /nfs/dbraw/zinc/53/65/29/1066536529.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294065676 1066536536 /nfs/dbraw/zinc/53/65/36/1066536536.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294065676 1066536547 /nfs/dbraw/zinc/53/65/47/1066536547.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294065676 1066536552 /nfs/dbraw/zinc/53/65/52/1066536552.db2.gz FIZUSSCKFMXMHD-GGAORHGYSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CC=CCC2)CC[N@H+]1CCOC ZINC001294086898 1066558176 /nfs/dbraw/zinc/55/81/76/1066558176.db2.gz ZWYOXEKYWCGLHE-JOCHJYFZSA-N 2 1 453.635 2.848 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001294086898 1066558188 /nfs/dbraw/zinc/55/81/88/1066558188.db2.gz ZWYOXEKYWCGLHE-JOCHJYFZSA-N 2 1 453.635 2.848 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001294086898 1066558200 /nfs/dbraw/zinc/55/82/00/1066558200.db2.gz ZWYOXEKYWCGLHE-JOCHJYFZSA-N 2 1 453.635 2.848 20 0 JFADMP C[NH+]1CCN(Cc2cc3nc(N4CCCC[C@@H]4C4CC[NH2+]CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417324 718892473 /nfs/dbraw/zinc/89/24/73/718892473.db2.gz JNTQXWOFZJNHPB-HSZRJFAPSA-N 2 1 499.729 2.634 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164423051 718944444 /nfs/dbraw/zinc/94/44/44/718944444.db2.gz DAPFWTLWYYVKMW-VNZMSGEBSA-N 2 1 463.626 2.956 20 0 JFADMP CC(C)N(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1)c1ncnc2c1CC[NH2+]CC2 ZINC001164663215 719345092 /nfs/dbraw/zinc/34/50/92/719345092.db2.gz WVOYUBISJOLNHT-LJQANCHMSA-N 2 1 495.672 2.905 20 0 JFADMP CC(C)N(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)c1ncnc2c1CC[NH2+]CC2 ZINC001164663215 719345095 /nfs/dbraw/zinc/34/50/95/719345095.db2.gz WVOYUBISJOLNHT-LJQANCHMSA-N 2 1 495.672 2.905 20 0 JFADMP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)cc[nH+]1 ZINC001164664548 719357857 /nfs/dbraw/zinc/35/78/57/719357857.db2.gz OFFOUSNVUVDAJB-RUZDIDTESA-N 2 1 451.619 2.657 20 0 JFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164719663 720127311 /nfs/dbraw/zinc/12/73/11/720127311.db2.gz ZUGDOVQHKZNZBW-HSZRJFAPSA-N 2 1 450.631 2.736 20 0 JFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164714063 720142247 /nfs/dbraw/zinc/14/22/47/720142247.db2.gz VUYSRWHNMGHUAR-OAQYLSRUSA-N 2 1 452.603 2.510 20 0 JFADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840640 720600567 /nfs/dbraw/zinc/60/05/67/720600567.db2.gz QCSFIQUIQSVCPS-BHIFYINESA-N 2 1 465.650 2.646 20 0 JFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840640 720600575 /nfs/dbraw/zinc/60/05/75/720600575.db2.gz QCSFIQUIQSVCPS-BHIFYINESA-N 2 1 465.650 2.646 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746692 720806727 /nfs/dbraw/zinc/80/67/27/720806727.db2.gz MPPOWKQIDBZODK-QZTJIDSGSA-N 2 1 462.932 2.789 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746692 720806728 /nfs/dbraw/zinc/80/67/28/720806728.db2.gz MPPOWKQIDBZODK-QZTJIDSGSA-N 2 1 462.932 2.789 20 0 JFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748174 720856215 /nfs/dbraw/zinc/85/62/15/720856215.db2.gz KWFPSXUYQURKGC-AWRGLXIESA-N 2 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748174 720856216 /nfs/dbraw/zinc/85/62/16/720856216.db2.gz KWFPSXUYQURKGC-AWRGLXIESA-N 3 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748174 720856217 /nfs/dbraw/zinc/85/62/17/720856217.db2.gz KWFPSXUYQURKGC-AWRGLXIESA-N 3 1 451.619 2.526 20 0 JFADMP Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750044 720869796 /nfs/dbraw/zinc/86/97/96/720869796.db2.gz INQTVEAZCNLTFB-CJFMBICVSA-N 2 1 469.033 2.926 20 0 JFADMP COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]2C1 ZINC001164857743 720892227 /nfs/dbraw/zinc/89/22/27/720892227.db2.gz JLIMTEIJESHXRZ-XLIONFOSSA-N 2 1 456.965 2.830 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755409 720895394 /nfs/dbraw/zinc/89/53/94/720895394.db2.gz LXIDHIMVEDTMQT-IBVKSMDESA-N 2 1 476.581 2.895 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755409 720895396 /nfs/dbraw/zinc/89/53/96/720895396.db2.gz LXIDHIMVEDTMQT-IBVKSMDESA-N 2 1 476.581 2.895 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866394 721079549 /nfs/dbraw/zinc/07/95/49/721079549.db2.gz TURZOYZDAPKFMB-BJKOFHAPSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866394 721079555 /nfs/dbraw/zinc/07/95/55/721079555.db2.gz TURZOYZDAPKFMB-BJKOFHAPSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866394 721079561 /nfs/dbraw/zinc/07/95/61/721079561.db2.gz TURZOYZDAPKFMB-BJKOFHAPSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866394 721079565 /nfs/dbraw/zinc/07/95/65/721079565.db2.gz TURZOYZDAPKFMB-BJKOFHAPSA-N 2 1 456.594 2.910 20 0 JFADMP COc1cc(I)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001264759035 1059665728 /nfs/dbraw/zinc/66/57/28/1059665728.db2.gz IGLQQTHFMYZJKR-UHFFFAOYSA-N 2 1 452.296 2.699 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286886601 1061329986 /nfs/dbraw/zinc/32/99/86/1061329986.db2.gz GBYSLMGQRILRHK-ZTCOLXNVSA-N 2 1 473.710 2.901 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3C[C@@H](C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286888398 1061340599 /nfs/dbraw/zinc/34/05/99/1061340599.db2.gz YJIKUHSAZLYIIL-NJNPRVFISA-N 2 1 474.053 2.537 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289950539 1061643683 /nfs/dbraw/zinc/64/36/83/1061643683.db2.gz GYPUZUYUODCYPC-YADHBBJMSA-N 2 1 455.651 2.783 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289954705 1061650722 /nfs/dbraw/zinc/65/07/22/1061650722.db2.gz OCESHFIWTIQYGA-JOCHJYFZSA-N 2 1 454.667 2.593 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289971668 1061676331 /nfs/dbraw/zinc/67/63/31/1061676331.db2.gz FONYFQSIFXVZBL-HSZRJFAPSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CC[NH+](CCN(C)C)CC2)n1 ZINC001289972196 1061678600 /nfs/dbraw/zinc/67/86/00/1061678600.db2.gz KPJUQGPDGIFMHO-UHFFFAOYSA-N 2 1 468.694 2.843 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001289972196 1061678612 /nfs/dbraw/zinc/67/86/12/1061678612.db2.gz KPJUQGPDGIFMHO-UHFFFAOYSA-N 2 1 468.694 2.843 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2CCN(CC[NH+](C)C)CC2)n1 ZINC001289972196 1061678625 /nfs/dbraw/zinc/67/86/25/1061678625.db2.gz KPJUQGPDGIFMHO-UHFFFAOYSA-N 2 1 468.694 2.843 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294225789 1061738168 /nfs/dbraw/zinc/73/81/68/1061738168.db2.gz IBYGJFYYXAJATN-HSZRJFAPSA-N 2 1 475.726 2.899 20 0 JFADMP CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294227132 1061741412 /nfs/dbraw/zinc/74/14/12/1061741412.db2.gz ATHBPKYSESIIEI-NQIIRXRSSA-N 2 1 461.680 2.523 20 0 JFADMP CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001294227132 1061741435 /nfs/dbraw/zinc/74/14/35/1061741435.db2.gz ATHBPKYSESIIEI-NQIIRXRSSA-N 2 1 461.680 2.523 20 0 JFADMP CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294227133 1061741497 /nfs/dbraw/zinc/74/14/97/1061741497.db2.gz ATHBPKYSESIIEI-RXVVDRJESA-N 2 1 461.680 2.523 20 0 JFADMP CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001294227133 1061741517 /nfs/dbraw/zinc/74/15/17/1061741517.db2.gz ATHBPKYSESIIEI-RXVVDRJESA-N 2 1 461.680 2.523 20 0 JFADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294317256 1061813247 /nfs/dbraw/zinc/81/32/47/1061813247.db2.gz KLZHLXUZGXJKFT-JOCHJYFZSA-N 2 1 459.683 2.976 20 0 JFADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294317256 1061813258 /nfs/dbraw/zinc/81/32/58/1061813258.db2.gz KLZHLXUZGXJKFT-JOCHJYFZSA-N 2 1 459.683 2.976 20 0 JFADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294317256 1061813273 /nfs/dbraw/zinc/81/32/73/1061813273.db2.gz KLZHLXUZGXJKFT-JOCHJYFZSA-N 2 1 459.683 2.976 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCC(C)(C)C2)C1 ZINC001294453819 1061998995 /nfs/dbraw/zinc/99/89/95/1061998995.db2.gz HVYNDJDRBUNZSI-NRFANRHFSA-N 2 1 459.683 2.804 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001294453819 1061999021 /nfs/dbraw/zinc/99/90/21/1061999021.db2.gz HVYNDJDRBUNZSI-NRFANRHFSA-N 2 1 459.683 2.804 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001294453819 1061999049 /nfs/dbraw/zinc/99/90/49/1061999049.db2.gz HVYNDJDRBUNZSI-NRFANRHFSA-N 2 1 459.683 2.804 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294455133 1062001806 /nfs/dbraw/zinc/00/18/06/1062001806.db2.gz DDBKMZOWXHXWPV-QUCCMNQESA-N 2 1 490.722 2.665 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294459982 1062006850 /nfs/dbraw/zinc/00/68/50/1062006850.db2.gz XJFQHHCVLGPBMP-JPYJTQIMSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294459982 1062006872 /nfs/dbraw/zinc/00/68/72/1062006872.db2.gz XJFQHHCVLGPBMP-JPYJTQIMSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294459982 1062006894 /nfs/dbraw/zinc/00/68/94/1062006894.db2.gz XJFQHHCVLGPBMP-JPYJTQIMSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294524801 1062061528 /nfs/dbraw/zinc/06/15/28/1062061528.db2.gz RCTWGEZIBZWQJV-ZJSXRUAMSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294524801 1062061552 /nfs/dbraw/zinc/06/15/52/1062061552.db2.gz RCTWGEZIBZWQJV-ZJSXRUAMSA-N 2 1 467.662 2.666 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290400627 1062103166 /nfs/dbraw/zinc/10/31/66/1062103166.db2.gz HOROQZXBGNYVNC-UHFFFAOYSA-N 2 1 463.696 2.769 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290400627 1062103178 /nfs/dbraw/zinc/10/31/78/1062103178.db2.gz HOROQZXBGNYVNC-UHFFFAOYSA-N 2 1 463.696 2.769 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](Cc4c(C)nn(C)c4C)CC3)n2CC(C)(C)C[NH+](C)C)cs1 ZINC001290434980 1062201934 /nfs/dbraw/zinc/20/19/34/1062201934.db2.gz BQJPLXLEBYMEIA-UHFFFAOYSA-N 2 1 499.733 2.894 20 0 JFADMP CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001294662303 1062214355 /nfs/dbraw/zinc/21/43/55/1062214355.db2.gz KCWABJANJPDYAX-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+]1CC[C@H](Cn2c(N3CCC[NH+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671505 1062230373 /nfs/dbraw/zinc/23/03/73/1062230373.db2.gz XSYFWOACOQTOLN-NRFANRHFSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CCC[NH+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671505 1062230395 /nfs/dbraw/zinc/23/03/95/1062230395.db2.gz XSYFWOACOQTOLN-NRFANRHFSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCC[N@H+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671505 1062230418 /nfs/dbraw/zinc/23/04/18/1062230418.db2.gz XSYFWOACOQTOLN-NRFANRHFSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCC[N@@H+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671505 1062230441 /nfs/dbraw/zinc/23/04/41/1062230441.db2.gz XSYFWOACOQTOLN-NRFANRHFSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294675602 1062237015 /nfs/dbraw/zinc/23/70/15/1062237015.db2.gz LBHLXVGCDPFAMK-KBMIEXCESA-N 2 1 474.625 2.934 20 0 JFADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294699886 1062265054 /nfs/dbraw/zinc/26/50/54/1062265054.db2.gz UIORHDONPJVHSM-HSZRJFAPSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294699886 1062265073 /nfs/dbraw/zinc/26/50/73/1062265073.db2.gz UIORHDONPJVHSM-HSZRJFAPSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001294699886 1062265093 /nfs/dbraw/zinc/26/50/93/1062265093.db2.gz UIORHDONPJVHSM-HSZRJFAPSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001294699886 1062265117 /nfs/dbraw/zinc/26/51/17/1062265117.db2.gz UIORHDONPJVHSM-HSZRJFAPSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708073 1062273396 /nfs/dbraw/zinc/27/33/96/1062273396.db2.gz QPSDTGRRIPTDES-XZOQPEGZSA-N 2 1 489.709 2.775 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001290563025 1062365050 /nfs/dbraw/zinc/36/50/50/1062365050.db2.gz HDPACOSFTRSXAY-IBGZPJMESA-N 2 1 456.683 2.980 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001290567170 1062370059 /nfs/dbraw/zinc/37/00/59/1062370059.db2.gz VPDUJMHBGRFTEN-QGZVFWFLSA-N 2 1 454.598 2.707 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+](C)C2CCCCC2)n1 ZINC001290612739 1062458936 /nfs/dbraw/zinc/45/89/36/1062458936.db2.gz UOYJVYGILKZFDG-UHFFFAOYSA-N 2 1 486.709 2.951 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+](C)C2CCCCC2)n1 ZINC001290612739 1062458946 /nfs/dbraw/zinc/45/89/46/1062458946.db2.gz UOYJVYGILKZFDG-UHFFFAOYSA-N 2 1 486.709 2.951 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@H+](C)C2CCCCC2)n1 ZINC001290612739 1062458955 /nfs/dbraw/zinc/45/89/55/1062458955.db2.gz UOYJVYGILKZFDG-UHFFFAOYSA-N 2 1 486.709 2.951 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOC(C)(C)C3)n2CC[N@@H+](C)C2CCCCC2)n1 ZINC001290612739 1062458964 /nfs/dbraw/zinc/45/89/64/1062458964.db2.gz UOYJVYGILKZFDG-UHFFFAOYSA-N 2 1 486.709 2.951 20 0 JFADMP CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158601 1062552278 /nfs/dbraw/zinc/55/22/78/1062552278.db2.gz FUNUUCRNAAKFPE-BJESRGMDSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158601 1062552295 /nfs/dbraw/zinc/55/22/95/1062552295.db2.gz FUNUUCRNAAKFPE-BJESRGMDSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@H](Cn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163266 1062568299 /nfs/dbraw/zinc/56/82/99/1062568299.db2.gz CIUOFVZOKXJFMZ-ZEQRLZLVSA-N 2 1 489.753 2.927 20 0 JFADMP CC(C)[C@@H](Cn1c(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163259 1062568518 /nfs/dbraw/zinc/56/85/18/1062568518.db2.gz CIUOFVZOKXJFMZ-BJKOFHAPSA-N 2 1 489.753 2.927 20 0 JFADMP CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287220412 1062704766 /nfs/dbraw/zinc/70/47/66/1062704766.db2.gz VTCPNGZIBQCTMS-JOCHJYFZSA-N 2 1 459.683 2.799 20 0 JFADMP CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287333316 1062810783 /nfs/dbraw/zinc/81/07/83/1062810783.db2.gz UCXSMEXCXVWHPE-HSALFYBXSA-N 2 1 489.665 2.528 20 0 JFADMP CC(C)C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287333316 1062810809 /nfs/dbraw/zinc/81/08/09/1062810809.db2.gz UCXSMEXCXVWHPE-HSALFYBXSA-N 2 1 489.665 2.528 20 0 JFADMP CC(C)Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386406 1062837099 /nfs/dbraw/zinc/83/70/99/1062837099.db2.gz XQTXVTWRJPUNKT-JTHBVZDNSA-N 2 1 470.662 2.622 20 0 JFADMP CC(C)Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287417590 1062854886 /nfs/dbraw/zinc/85/48/86/1062854886.db2.gz BBAFVHWVYWYYTM-VXNXHJTFSA-N 2 1 475.726 2.581 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001287457217 1062896235 /nfs/dbraw/zinc/89/62/35/1062896235.db2.gz SILJDGVYSTXVTN-NRFANRHFSA-N 2 1 454.623 2.818 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001287461761 1062899754 /nfs/dbraw/zinc/89/97/54/1062899754.db2.gz CARUNYMZHDMOPL-VABKMULXSA-N 2 1 487.737 2.976 20 0 JFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009531 1062906878 /nfs/dbraw/zinc/90/68/78/1062906878.db2.gz HORFCWYEJJGFNV-MESAYYPLSA-N 2 1 486.709 2.982 20 0 JFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009531 1062906901 /nfs/dbraw/zinc/90/69/01/1062906901.db2.gz HORFCWYEJJGFNV-MESAYYPLSA-N 2 1 486.709 2.982 20 0 JFADMP C[C@@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009531 1062906921 /nfs/dbraw/zinc/90/69/21/1062906921.db2.gz HORFCWYEJJGFNV-MESAYYPLSA-N 2 1 486.709 2.982 20 0 JFADMP C[C@@H]1C[C@H](C)C[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009531 1062906943 /nfs/dbraw/zinc/90/69/43/1062906943.db2.gz HORFCWYEJJGFNV-MESAYYPLSA-N 2 1 486.709 2.982 20 0 JFADMP CC(C)Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001287464685 1062909070 /nfs/dbraw/zinc/90/90/70/1062909070.db2.gz DCMAVXBKYRWWNP-UHFFFAOYSA-N 2 1 454.667 2.614 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012417 1062916352 /nfs/dbraw/zinc/91/63/52/1062916352.db2.gz ZCPLWIFALSSFML-DNVJHFABSA-N 2 1 494.750 2.859 20 0 JFADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012673 1062917295 /nfs/dbraw/zinc/91/72/95/1062917295.db2.gz CSYGCCWINNECQV-HBMCJLEFSA-N 2 1 497.754 2.567 20 0 JFADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001291012673 1062917324 /nfs/dbraw/zinc/91/73/24/1062917324.db2.gz CSYGCCWINNECQV-HBMCJLEFSA-N 2 1 497.754 2.567 20 0 JFADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001291012673 1062917343 /nfs/dbraw/zinc/91/73/43/1062917343.db2.gz CSYGCCWINNECQV-HBMCJLEFSA-N 2 1 497.754 2.567 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001295127243 1062945974 /nfs/dbraw/zinc/94/59/74/1062945974.db2.gz MMBNLCLWHGSMHL-UHFFFAOYSA-N 2 1 455.651 2.837 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001295127985 1062948040 /nfs/dbraw/zinc/94/80/40/1062948040.db2.gz YDODXOIJFHSQHV-HSZRJFAPSA-N 2 1 467.662 2.981 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@@H](C)O1 ZINC001295145454 1062966380 /nfs/dbraw/zinc/96/63/80/1062966380.db2.gz DHUVGZGIUBCHLP-FJIJVGMHSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@@H](C)O1 ZINC001295145454 1062966400 /nfs/dbraw/zinc/96/64/00/1062966400.db2.gz DHUVGZGIUBCHLP-FJIJVGMHSA-N 2 1 451.611 2.909 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291066540 1063012462 /nfs/dbraw/zinc/01/24/62/1063012462.db2.gz PCQSCJCMGSUBJH-PXDATVDWSA-N 2 1 459.683 2.945 20 0 JFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096704 1063058540 /nfs/dbraw/zinc/05/85/40/1063058540.db2.gz JFJLBBGFRZBZJI-HKBOAZHASA-N 2 1 459.683 2.908 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287750883 1063076211 /nfs/dbraw/zinc/07/62/11/1063076211.db2.gz OOMQCUOXFUFZCS-QFIPXVFZSA-N 2 1 477.451 2.552 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291125733 1063149733 /nfs/dbraw/zinc/14/97/33/1063149733.db2.gz AFXHIHYAXVZALP-QFIPXVFZSA-N 2 1 467.662 2.513 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295326791 1063215921 /nfs/dbraw/zinc/21/59/21/1063215921.db2.gz BAKBRTMEQFWYGS-UHFFFAOYSA-N 2 1 498.720 2.929 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001295326791 1063215941 /nfs/dbraw/zinc/21/59/41/1063215941.db2.gz BAKBRTMEQFWYGS-UHFFFAOYSA-N 2 1 498.720 2.929 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295327048 1063220296 /nfs/dbraw/zinc/22/02/96/1063220296.db2.gz LVWJBXDRUZMHRO-QFIPXVFZSA-N 2 1 494.644 2.617 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC001295327048 1063220317 /nfs/dbraw/zinc/22/03/17/1063220317.db2.gz LVWJBXDRUZMHRO-QFIPXVFZSA-N 2 1 494.644 2.617 20 0 JFADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144182 1063224880 /nfs/dbraw/zinc/22/48/80/1063224880.db2.gz KKEPVORWLXLXNB-HSZRJFAPSA-N 2 1 469.678 2.931 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295335040 1063248303 /nfs/dbraw/zinc/24/83/03/1063248303.db2.gz WZSNJSBBQUOVPY-VXKWHMMOSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295335040 1063248323 /nfs/dbraw/zinc/24/83/23/1063248323.db2.gz WZSNJSBBQUOVPY-VXKWHMMOSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295335040 1063248346 /nfs/dbraw/zinc/24/83/46/1063248346.db2.gz WZSNJSBBQUOVPY-VXKWHMMOSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295335040 1063248367 /nfs/dbraw/zinc/24/83/67/1063248367.db2.gz WZSNJSBBQUOVPY-VXKWHMMOSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[NH+]2CC)CC1 ZINC001295335089 1063249387 /nfs/dbraw/zinc/24/93/87/1063249387.db2.gz YLJAYGNKTUJWMZ-DEOSSOPVSA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[NH+]2CC)CC1 ZINC001295335089 1063249404 /nfs/dbraw/zinc/24/94/04/1063249404.db2.gz YLJAYGNKTUJWMZ-DEOSSOPVSA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295335089 1063249420 /nfs/dbraw/zinc/24/94/20/1063249420.db2.gz YLJAYGNKTUJWMZ-DEOSSOPVSA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295335089 1063249436 /nfs/dbraw/zinc/24/94/36/1063249436.db2.gz YLJAYGNKTUJWMZ-DEOSSOPVSA-N 2 1 496.704 2.519 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180067 1063270823 /nfs/dbraw/zinc/27/08/23/1063270823.db2.gz SZKVCHFEENFBLX-PKTZIBPZSA-N 2 1 494.750 2.859 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295360541 1063321473 /nfs/dbraw/zinc/32/14/73/1063321473.db2.gz FHFUGLDCEPWEFM-YLJYHZDGSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295360541 1063321499 /nfs/dbraw/zinc/32/14/99/1063321499.db2.gz FHFUGLDCEPWEFM-YLJYHZDGSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295363461 1063324270 /nfs/dbraw/zinc/32/42/70/1063324270.db2.gz AMSRTCPNBNCOMA-NHCUHLMSSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295370999 1063336854 /nfs/dbraw/zinc/33/68/54/1063336854.db2.gz OEBSJPGQSZVJDM-IMSXRSKXSA-N 2 1 497.688 2.673 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295378712 1063349025 /nfs/dbraw/zinc/34/90/25/1063349025.db2.gz JAYPHZVKWIFUDX-TXTKFYIRSA-N 2 1 458.626 2.895 20 0 JFADMP C[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291214437 1063414361 /nfs/dbraw/zinc/41/43/61/1063414361.db2.gz WQXDUKKVQGOWOO-FUHIMQAGSA-N 2 1 464.561 2.654 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295474768 1063483108 /nfs/dbraw/zinc/48/31/08/1063483108.db2.gz GZRHEUYPRZZVJU-AREMUKBSSA-N 2 1 470.662 2.851 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483808 1063509099 /nfs/dbraw/zinc/50/90/99/1063509099.db2.gz IMAXMRSTEIUNQV-GOTSBHOMSA-N 2 1 489.709 2.631 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001295511073 1063545664 /nfs/dbraw/zinc/54/56/64/1063545664.db2.gz ATIPVLAMVOCDEY-VXKWHMMOSA-N 2 1 457.667 2.809 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001295518584 1063554965 /nfs/dbraw/zinc/55/49/65/1063554965.db2.gz ORKBFOOQQUCKFS-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001295518584 1063554983 /nfs/dbraw/zinc/55/49/83/1063554983.db2.gz ORKBFOOQQUCKFS-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001295560769 1063594560 /nfs/dbraw/zinc/59/45/60/1063594560.db2.gz YVPRVEGHNDKKKR-WSTZPKSXSA-N 2 1 459.664 2.904 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295572091 1063608975 /nfs/dbraw/zinc/60/89/75/1063608975.db2.gz FRQVEMOQPCJRKN-HKBOAZHASA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295572091 1063608983 /nfs/dbraw/zinc/60/89/83/1063608983.db2.gz FRQVEMOQPCJRKN-HKBOAZHASA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295572093 1063609013 /nfs/dbraw/zinc/60/90/13/1063609013.db2.gz FRQVEMOQPCJRKN-NJYVYQBISA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295572093 1063609022 /nfs/dbraw/zinc/60/90/22/1063609022.db2.gz FRQVEMOQPCJRKN-NJYVYQBISA-N 2 1 491.681 2.601 20 0 JFADMP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291285071 1063624262 /nfs/dbraw/zinc/62/42/62/1063624262.db2.gz KJPQYCFJMKUMER-LNRXMEIDSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291285071 1063624266 /nfs/dbraw/zinc/62/42/66/1063624266.db2.gz KJPQYCFJMKUMER-LNRXMEIDSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291285072 1063624358 /nfs/dbraw/zinc/62/43/58/1063624358.db2.gz KJPQYCFJMKUMER-YUMYIRISSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291285072 1063624375 /nfs/dbraw/zinc/62/43/75/1063624375.db2.gz KJPQYCFJMKUMER-YUMYIRISSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291288729 1063651475 /nfs/dbraw/zinc/65/14/75/1063651475.db2.gz XUPXEZNKHAXNBA-HSZRJFAPSA-N 2 1 475.726 2.897 20 0 JFADMP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290406 1063663835 /nfs/dbraw/zinc/66/38/35/1063663835.db2.gz ZSNFSDAIXBLJQB-CWBXHPNXSA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290406 1063663845 /nfs/dbraw/zinc/66/38/45/1063663845.db2.gz ZSNFSDAIXBLJQB-CWBXHPNXSA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[N@H+](CCCn2c(N(C)CC[NH+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295473 1063695872 /nfs/dbraw/zinc/69/58/72/1063695872.db2.gz ZKSJECBKLQOYBL-HXUWFJFHSA-N 2 1 450.672 2.624 20 0 JFADMP C[C@@H]1C[N@@H+](CCCn2c(N(C)CC[NH+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295473 1063695875 /nfs/dbraw/zinc/69/58/75/1063695875.db2.gz ZKSJECBKLQOYBL-HXUWFJFHSA-N 2 1 450.672 2.624 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295473 1063695881 /nfs/dbraw/zinc/69/58/81/1063695881.db2.gz ZKSJECBKLQOYBL-HXUWFJFHSA-N 2 1 450.672 2.624 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295473 1063695886 /nfs/dbraw/zinc/69/58/86/1063695886.db2.gz ZKSJECBKLQOYBL-HXUWFJFHSA-N 2 1 450.672 2.624 20 0 JFADMP CC[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001295824510 1063832037 /nfs/dbraw/zinc/83/20/37/1063832037.db2.gz FFDBPGHVXIEGFR-GOSISDBHSA-N 2 1 494.482 2.925 20 0 JFADMP CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295836229 1063853419 /nfs/dbraw/zinc/85/34/19/1063853419.db2.gz PRZCYTKBDWRXBL-SFHVURJKSA-N 2 1 482.551 2.749 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295836229 1063853429 /nfs/dbraw/zinc/85/34/29/1063853429.db2.gz PRZCYTKBDWRXBL-SFHVURJKSA-N 2 1 482.551 2.749 20 0 JFADMP CC[NH+](CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295836229 1063853441 /nfs/dbraw/zinc/85/34/41/1063853441.db2.gz PRZCYTKBDWRXBL-SFHVURJKSA-N 2 1 482.551 2.749 20 0 JFADMP CC[NH+](CCn1c(-c2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295836229 1063853452 /nfs/dbraw/zinc/85/34/52/1063853452.db2.gz PRZCYTKBDWRXBL-SFHVURJKSA-N 2 1 482.551 2.749 20 0 JFADMP CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001295866305 1063900089 /nfs/dbraw/zinc/90/00/89/1063900089.db2.gz JVAQFKMYZBSYGH-RTBURBONSA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C)C(C)C ZINC001295866305 1063900100 /nfs/dbraw/zinc/90/01/00/1063900100.db2.gz JVAQFKMYZBSYGH-RTBURBONSA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001295866305 1063900112 /nfs/dbraw/zinc/90/01/12/1063900112.db2.gz JVAQFKMYZBSYGH-RTBURBONSA-N 2 1 461.680 2.919 20 0 JFADMP CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001295866302 1063900223 /nfs/dbraw/zinc/90/02/23/1063900223.db2.gz JVAQFKMYZBSYGH-RBUKOAKNSA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C(C)C ZINC001295866302 1063900234 /nfs/dbraw/zinc/90/02/34/1063900234.db2.gz JVAQFKMYZBSYGH-RBUKOAKNSA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C(C)C ZINC001295866302 1063900244 /nfs/dbraw/zinc/90/02/44/1063900244.db2.gz JVAQFKMYZBSYGH-RBUKOAKNSA-N 2 1 461.680 2.919 20 0 JFADMP CC[N@@H+](CCn1c(N2CC[NH+](C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868541 1063905135 /nfs/dbraw/zinc/90/51/35/1063905135.db2.gz PFYJBLPHAYFZEH-GJZUVCINSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CCn1c(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868541 1063905146 /nfs/dbraw/zinc/90/51/46/1063905146.db2.gz PFYJBLPHAYFZEH-GJZUVCINSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CCn1c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1)C(C)C ZINC001295868541 1063905155 /nfs/dbraw/zinc/90/51/55/1063905155.db2.gz PFYJBLPHAYFZEH-GJZUVCINSA-N 2 1 492.709 2.739 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291457788 1064024237 /nfs/dbraw/zinc/02/42/37/1064024237.db2.gz SWKQUXAJQBCIQQ-ZLNRFVROSA-N 2 1 498.720 2.922 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291457788 1064024244 /nfs/dbraw/zinc/02/42/44/1064024244.db2.gz SWKQUXAJQBCIQQ-ZLNRFVROSA-N 2 1 498.720 2.922 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024437 /nfs/dbraw/zinc/02/44/37/1064024437.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024442 /nfs/dbraw/zinc/02/44/42/1064024442.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024450 /nfs/dbraw/zinc/02/44/50/1064024450.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001295977866 1064024454 /nfs/dbraw/zinc/02/44/54/1064024454.db2.gz QGRKKPLZRVDKAD-ULQDDVLXSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024489 /nfs/dbraw/zinc/02/44/89/1064024489.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024497 /nfs/dbraw/zinc/02/44/97/1064024497.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024504 /nfs/dbraw/zinc/02/45/04/1064024504.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977596 1064024510 /nfs/dbraw/zinc/02/45/10/1064024510.db2.gz OTUVDTMCCIENDF-VQTJNVASSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029551 /nfs/dbraw/zinc/02/95/51/1064029551.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 2 1 497.688 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029558 /nfs/dbraw/zinc/02/95/58/1064029558.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029564 /nfs/dbraw/zinc/02/95/64/1064029564.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@@H]1C ZINC001295980173 1064029572 /nfs/dbraw/zinc/02/95/72/1064029572.db2.gz QVMDUSVTEUKKIL-FDFHNCONSA-N 2 1 497.688 2.604 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029675 /nfs/dbraw/zinc/02/96/75/1064029675.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 2 1 497.688 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029682 /nfs/dbraw/zinc/02/96/82/1064029682.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029688 /nfs/dbraw/zinc/02/96/88/1064029688.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001295980175 1064029695 /nfs/dbraw/zinc/02/96/95/1064029695.db2.gz QVMDUSVTEUKKIL-FSSWDIPSSA-N 2 1 497.688 2.604 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291470654 1064031500 /nfs/dbraw/zinc/03/15/00/1064031500.db2.gz SZRUPOLDNIGSGJ-QNWVGRARSA-N 2 1 461.699 2.899 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001295982083 1064033683 /nfs/dbraw/zinc/03/36/83/1064033683.db2.gz WIYAIGDCWUOZPS-HBMCJLEFSA-N 2 1 468.650 2.966 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984125 1064041240 /nfs/dbraw/zinc/04/12/40/1064041240.db2.gz LOBBPFLGIMXOSR-PMACEKPBSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984125 1064041252 /nfs/dbraw/zinc/04/12/52/1064041252.db2.gz LOBBPFLGIMXOSR-PMACEKPBSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984125 1064041261 /nfs/dbraw/zinc/04/12/61/1064041261.db2.gz LOBBPFLGIMXOSR-PMACEKPBSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001295984125 1064041264 /nfs/dbraw/zinc/04/12/64/1064041264.db2.gz LOBBPFLGIMXOSR-PMACEKPBSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001295990109 1064045045 /nfs/dbraw/zinc/04/50/45/1064045045.db2.gz DVFVJCFEEYLBES-WOJBJXKFSA-N 2 1 456.635 2.719 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+](CC)CC)CC2)n1CC[N@H+]1CCc2ccccc2C1 ZINC001291580871 1064109980 /nfs/dbraw/zinc/10/99/80/1064109980.db2.gz BUEVLKZXCZAGJV-QFIPXVFZSA-N 2 1 481.689 2.840 20 0 JFADMP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001296054846 1064116400 /nfs/dbraw/zinc/11/64/00/1064116400.db2.gz DKHOEXZOWUIHJC-AZUAARDMSA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001296054846 1064116404 /nfs/dbraw/zinc/11/64/04/1064116404.db2.gz DKHOEXZOWUIHJC-AZUAARDMSA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296062602 1064128208 /nfs/dbraw/zinc/12/82/08/1064128208.db2.gz SEETYHGKKUVGNW-LJQANCHMSA-N 2 1 464.561 2.799 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296062602 1064128215 /nfs/dbraw/zinc/12/82/15/1064128215.db2.gz SEETYHGKKUVGNW-LJQANCHMSA-N 2 1 464.561 2.799 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067340 1064132549 /nfs/dbraw/zinc/13/25/49/1064132549.db2.gz IIVOIJNOKTXMIU-VQTJNVASSA-N 2 1 488.599 2.747 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296088427 1064158888 /nfs/dbraw/zinc/15/88/88/1064158888.db2.gz LAIXYCNIALNOEN-RBBKRZOGSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296088427 1064158892 /nfs/dbraw/zinc/15/88/92/1064158892.db2.gz LAIXYCNIALNOEN-RBBKRZOGSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296088427 1064158896 /nfs/dbraw/zinc/15/88/96/1064158896.db2.gz LAIXYCNIALNOEN-RBBKRZOGSA-N 2 1 486.661 2.994 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626807 1064167676 /nfs/dbraw/zinc/16/76/76/1064167676.db2.gz AJCPDMNAAAIFNJ-VWNXMTODSA-N 2 1 483.705 2.673 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291644089 1064196509 /nfs/dbraw/zinc/19/65/09/1064196509.db2.gz UCIICLDQZHNIHV-RJGXRXQPSA-N 2 1 475.726 2.633 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296132588 1064230782 /nfs/dbraw/zinc/23/07/82/1064230782.db2.gz BTEOZPHXMRLWLR-YTFSRNRJSA-N 2 1 499.704 2.811 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296134830 1064237128 /nfs/dbraw/zinc/23/71/28/1064237128.db2.gz QZMWDKHIKFKBHZ-ZLNRFVROSA-N 2 1 499.704 2.811 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001291761985 1064243353 /nfs/dbraw/zinc/24/33/53/1064243353.db2.gz RHNNQKWQFOUFOF-ZWKOTPCHSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001291761985 1064243358 /nfs/dbraw/zinc/24/33/58/1064243358.db2.gz RHNNQKWQFOUFOF-ZWKOTPCHSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001291761985 1064243366 /nfs/dbraw/zinc/24/33/66/1064243366.db2.gz RHNNQKWQFOUFOF-ZWKOTPCHSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001291762598 1064243896 /nfs/dbraw/zinc/24/38/96/1064243896.db2.gz YXOLBMRMNDIEAU-UXHICEINSA-N 2 1 454.623 2.720 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001296145892 1064256459 /nfs/dbraw/zinc/25/64/59/1064256459.db2.gz GSRJLACBMRWQIU-VGSWGCGISA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296145892 1064256471 /nfs/dbraw/zinc/25/64/71/1064256471.db2.gz GSRJLACBMRWQIU-VGSWGCGISA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296145892 1064256480 /nfs/dbraw/zinc/25/64/80/1064256480.db2.gz GSRJLACBMRWQIU-VGSWGCGISA-N 2 1 477.451 2.613 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001291772879 1064256762 /nfs/dbraw/zinc/25/67/62/1064256762.db2.gz QLGUQMSPGYCRPK-VXKWHMMOSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772879 1064256772 /nfs/dbraw/zinc/25/67/72/1064256772.db2.gz QLGUQMSPGYCRPK-VXKWHMMOSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772879 1064256781 /nfs/dbraw/zinc/25/67/81/1064256781.db2.gz QLGUQMSPGYCRPK-VXKWHMMOSA-N 2 1 454.667 2.595 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001296148611 1064260924 /nfs/dbraw/zinc/26/09/24/1064260924.db2.gz AEVXXAFVMKBNHK-NHCUHLMSSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001296148611 1064260930 /nfs/dbraw/zinc/26/09/30/1064260930.db2.gz AEVXXAFVMKBNHK-NHCUHLMSSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001296148611 1064260939 /nfs/dbraw/zinc/26/09/39/1064260939.db2.gz AEVXXAFVMKBNHK-NHCUHLMSSA-N 2 1 486.661 2.994 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774668 1064263533 /nfs/dbraw/zinc/26/35/33/1064263533.db2.gz QBXLQCUTAUTNEX-UNMCSNQZSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291774668 1064263540 /nfs/dbraw/zinc/26/35/40/1064263540.db2.gz QBXLQCUTAUTNEX-UNMCSNQZSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291774668 1064263549 /nfs/dbraw/zinc/26/35/49/1064263549.db2.gz QBXLQCUTAUTNEX-UNMCSNQZSA-N 2 1 458.655 2.696 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)C[C@H]1C ZINC001296157457 1064269837 /nfs/dbraw/zinc/26/98/37/1064269837.db2.gz XPEWBLWBJDVOKV-SBHAEUEKSA-N 2 1 453.635 2.889 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291783130 1064275213 /nfs/dbraw/zinc/27/52/13/1064275213.db2.gz JMMMLVANTCMXQW-HSZRJFAPSA-N 2 1 499.752 2.865 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291783130 1064275226 /nfs/dbraw/zinc/27/52/26/1064275226.db2.gz JMMMLVANTCMXQW-HSZRJFAPSA-N 2 1 499.752 2.865 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291783130 1064275235 /nfs/dbraw/zinc/27/52/35/1064275235.db2.gz JMMMLVANTCMXQW-HSZRJFAPSA-N 2 1 499.752 2.865 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001291783417 1064276262 /nfs/dbraw/zinc/27/62/62/1064276262.db2.gz LHQSFXNWECAYAK-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001291783417 1064276272 /nfs/dbraw/zinc/27/62/72/1064276272.db2.gz LHQSFXNWECAYAK-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291783417 1064276284 /nfs/dbraw/zinc/27/62/84/1064276284.db2.gz LHQSFXNWECAYAK-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296162833 1064276852 /nfs/dbraw/zinc/27/68/52/1064276852.db2.gz PXZOMKDUIOLBPQ-OAQYLSRUSA-N 2 1 471.669 2.812 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001296162833 1064276859 /nfs/dbraw/zinc/27/68/59/1064276859.db2.gz PXZOMKDUIOLBPQ-OAQYLSRUSA-N 2 1 471.669 2.812 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001296162833 1064276864 /nfs/dbraw/zinc/27/68/64/1064276864.db2.gz PXZOMKDUIOLBPQ-OAQYLSRUSA-N 2 1 471.669 2.812 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@@H]1C ZINC001296165432 1064284968 /nfs/dbraw/zinc/28/49/68/1064284968.db2.gz JJGAWQFURJHSQJ-ZCYQVOJMSA-N 2 1 483.705 2.844 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296166222 1064286777 /nfs/dbraw/zinc/28/67/77/1064286777.db2.gz NHBGFRHKKJANAT-FGZHOGPDSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296166222 1064286788 /nfs/dbraw/zinc/28/67/88/1064286788.db2.gz NHBGFRHKKJANAT-FGZHOGPDSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296166223 1064287875 /nfs/dbraw/zinc/28/78/75/1064287875.db2.gz NHBGFRHKKJANAT-VXKWHMMOSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296166223 1064287883 /nfs/dbraw/zinc/28/78/83/1064287883.db2.gz NHBGFRHKKJANAT-VXKWHMMOSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296167107 1064288893 /nfs/dbraw/zinc/28/88/93/1064288893.db2.gz QRXZWNCVGZZFPG-PMACEKPBSA-N 2 1 473.691 2.922 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296167118 1064290067 /nfs/dbraw/zinc/29/00/67/1064290067.db2.gz QSHWTETUFLVXIV-OALUTQOASA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296167118 1064290076 /nfs/dbraw/zinc/29/00/76/1064290076.db2.gz QSHWTETUFLVXIV-OALUTQOASA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296167118 1064290085 /nfs/dbraw/zinc/29/00/85/1064290085.db2.gz QSHWTETUFLVXIV-OALUTQOASA-N 2 1 459.664 2.532 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290699 /nfs/dbraw/zinc/29/06/99/1064290699.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290710 /nfs/dbraw/zinc/29/07/10/1064290710.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296167875 1064290724 /nfs/dbraw/zinc/29/07/24/1064290724.db2.gz VHXJMGUGQLQJLQ-ISKFKSNPSA-N 2 1 470.662 2.787 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296173705 1064297294 /nfs/dbraw/zinc/29/72/94/1064297294.db2.gz KMZNOSAGNDGIEN-LJQANCHMSA-N 2 1 477.053 2.888 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296181761 1064317759 /nfs/dbraw/zinc/31/77/59/1064317759.db2.gz CEFFUOPSAKPVBV-HSZRJFAPSA-N 2 1 488.750 2.969 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001296182935 1064325495 /nfs/dbraw/zinc/32/54/95/1064325495.db2.gz BFIKBKOQHJUOCH-NRFANRHFSA-N 2 1 487.693 2.667 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001296182935 1064325505 /nfs/dbraw/zinc/32/55/05/1064325505.db2.gz BFIKBKOQHJUOCH-NRFANRHFSA-N 2 1 487.693 2.667 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183291 1064327404 /nfs/dbraw/zinc/32/74/04/1064327404.db2.gz CUYOKXBHFSBCJP-CCDWMCETSA-N 2 1 488.769 2.670 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183291 1064327414 /nfs/dbraw/zinc/32/74/14/1064327414.db2.gz CUYOKXBHFSBCJP-CCDWMCETSA-N 2 1 488.769 2.670 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183291 1064327434 /nfs/dbraw/zinc/32/74/34/1064327434.db2.gz CUYOKXBHFSBCJP-CCDWMCETSA-N 2 1 488.769 2.670 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001296194385 1064355457 /nfs/dbraw/zinc/35/54/57/1064355457.db2.gz SBPLRCJNNMUTHC-HSZRJFAPSA-N 2 1 489.753 2.689 20 0 JFADMP CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001291963522 1064576718 /nfs/dbraw/zinc/57/67/18/1064576718.db2.gz KQJXMCFJIBHQQC-HSZRJFAPSA-N 2 1 470.666 2.793 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291975538 1064590564 /nfs/dbraw/zinc/59/05/64/1064590564.db2.gz VEKPWILCGRBQFI-SFTDATJTSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291975538 1064590578 /nfs/dbraw/zinc/59/05/78/1064590578.db2.gz VEKPWILCGRBQFI-SFTDATJTSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1)[NH+](C)C ZINC001291975767 1064591388 /nfs/dbraw/zinc/59/13/88/1064591388.db2.gz YRIJVXGMKYMKDW-IGKWTDBASA-N 2 1 473.710 2.586 20 0 JFADMP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162060 1064947091 /nfs/dbraw/zinc/94/70/91/1064947091.db2.gz IBDXXAPMTMFLCA-YMPZKCBVSA-N 2 1 459.683 2.655 20 0 JFADMP CCc1ccc(-c2nnc(N3CC[N@H+](C4CCOCC4)C[C@@H]3C)n2CCOCC[NH+](C)C)cc1 ZINC001292517374 1065238432 /nfs/dbraw/zinc/23/84/32/1065238432.db2.gz ACURDHAFEDWLRU-NRFANRHFSA-N 2 1 470.662 2.775 20 0 JFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1cccc(I)c1 ZINC001292581669 1065298840 /nfs/dbraw/zinc/29/88/40/1065298840.db2.gz DTCFJOWJAMZRHH-KRWDZBQOSA-N 2 1 459.372 2.545 20 0 JFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(CC(=O)N4CCSCC4)cc3)CC2)CC1 ZINC001292669608 1065409421 /nfs/dbraw/zinc/40/94/21/1065409421.db2.gz XBRZOGYDWMXIHN-UHFFFAOYSA-N 2 1 458.672 2.939 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892423 1065590483 /nfs/dbraw/zinc/59/04/83/1065590483.db2.gz DRRIKEGDLRNEJN-BWKNWUBXSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892423 1065590495 /nfs/dbraw/zinc/59/04/95/1065590495.db2.gz DRRIKEGDLRNEJN-BWKNWUBXSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892423 1065590509 /nfs/dbraw/zinc/59/05/09/1065590509.db2.gz DRRIKEGDLRNEJN-BWKNWUBXSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893443 1065594140 /nfs/dbraw/zinc/59/41/40/1065594140.db2.gz OBAMSMJCHNOMMM-RDGATRHJSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893443 1065594146 /nfs/dbraw/zinc/59/41/46/1065594146.db2.gz OBAMSMJCHNOMMM-RDGATRHJSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893443 1065594153 /nfs/dbraw/zinc/59/41/53/1065594153.db2.gz OBAMSMJCHNOMMM-RDGATRHJSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894345 1065596036 /nfs/dbraw/zinc/59/60/36/1065596036.db2.gz WXWWLHBFPJWCLV-WUMKDDEVSA-N 2 1 485.652 2.661 20 0 JFADMP CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001292924751 1065617473 /nfs/dbraw/zinc/61/74/73/1065617473.db2.gz PDHOSWOTDMPHKH-QFIPXVFZSA-N 2 1 473.710 2.779 20 0 JFADMP CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292952520 1065632922 /nfs/dbraw/zinc/63/29/22/1065632922.db2.gz HYFJSKYCEFTISV-JOCHJYFZSA-N 2 1 462.683 2.670 20 0 JFADMP CCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001293068488 1065720552 /nfs/dbraw/zinc/72/05/52/1065720552.db2.gz RAIFRKWUWYXNLA-UHFFFAOYSA-N 3 1 454.667 2.758 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293068488 1065720566 /nfs/dbraw/zinc/72/05/66/1065720566.db2.gz RAIFRKWUWYXNLA-UHFFFAOYSA-N 2 1 454.667 2.758 20 0 JFADMP CCc1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001293068488 1065720576 /nfs/dbraw/zinc/72/05/76/1065720576.db2.gz RAIFRKWUWYXNLA-UHFFFAOYSA-N 2 1 454.667 2.758 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293093736 1065742606 /nfs/dbraw/zinc/74/26/06/1065742606.db2.gz IXLNUMQSLRGZNJ-RBBKRZOGSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293093736 1065742620 /nfs/dbraw/zinc/74/26/20/1065742620.db2.gz IXLNUMQSLRGZNJ-RBBKRZOGSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@H]1C ZINC001293131342 1065783055 /nfs/dbraw/zinc/78/30/55/1065783055.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@H]1C ZINC001293131342 1065783067 /nfs/dbraw/zinc/78/30/67/1065783067.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@H]1C ZINC001293131342 1065783074 /nfs/dbraw/zinc/78/30/74/1065783074.db2.gz OGQWJPZXRRQPTQ-RPWUZVMVSA-N 2 1 475.726 2.726 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001293374514 1065980296 /nfs/dbraw/zinc/98/02/96/1065980296.db2.gz VSFLUWHHCXMQMX-YPAWHYETSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC[N@H+]1CCOC ZINC001293520552 1066042185 /nfs/dbraw/zinc/04/21/85/1066042185.db2.gz XXZHWBVQCVWPJV-HSZRJFAPSA-N 2 1 498.720 2.708 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293538853 1066056171 /nfs/dbraw/zinc/05/61/71/1066056171.db2.gz HNYBESREGASMJF-DENIHFKCSA-N 2 1 477.053 2.724 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293538854 1066056316 /nfs/dbraw/zinc/05/63/16/1066056316.db2.gz HNYBESREGASMJF-KNQAVFIVSA-N 2 1 477.053 2.724 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC001293549778 1066066116 /nfs/dbraw/zinc/06/61/16/1066066116.db2.gz QVHXZPCPZWHEGL-FQEVSTJZSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001293549778 1066066126 /nfs/dbraw/zinc/06/61/26/1066066126.db2.gz QVHXZPCPZWHEGL-FQEVSTJZSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001293549778 1066066138 /nfs/dbraw/zinc/06/61/38/1066066138.db2.gz QVHXZPCPZWHEGL-FQEVSTJZSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001293549778 1066066151 /nfs/dbraw/zinc/06/61/51/1066066151.db2.gz QVHXZPCPZWHEGL-FQEVSTJZSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](C(C)C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293580681 1066089663 /nfs/dbraw/zinc/08/96/63/1066089663.db2.gz ZDGZUKLVLXJBRW-GGAORHGYSA-N 2 1 470.666 2.791 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293603099 1066119544 /nfs/dbraw/zinc/11/95/44/1066119544.db2.gz SYTHXBLARHDXDZ-KAOXLYBCSA-N 2 1 476.710 2.913 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293603099 1066119548 /nfs/dbraw/zinc/11/95/48/1066119548.db2.gz SYTHXBLARHDXDZ-KAOXLYBCSA-N 2 1 476.710 2.913 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293612277 1066128158 /nfs/dbraw/zinc/12/81/58/1066128158.db2.gz LOGWSKSKJUTYRR-QZNHQXDQSA-N 2 1 455.651 2.541 20 0 JFADMP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001293635128 1066150758 /nfs/dbraw/zinc/15/07/58/1066150758.db2.gz LFXPMQUTYLNNSI-RPWUZVMVSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635128 1066150763 /nfs/dbraw/zinc/15/07/63/1066150763.db2.gz LFXPMQUTYLNNSI-RPWUZVMVSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635128 1066150765 /nfs/dbraw/zinc/15/07/65/1066150765.db2.gz LFXPMQUTYLNNSI-RPWUZVMVSA-N 2 1 486.709 2.807 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001294077439 1066546990 /nfs/dbraw/zinc/54/69/90/1066546990.db2.gz PFIBYCQWSTWTMS-WMZHIEFXSA-N 2 1 461.680 2.648 20 0 JFADMP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001294081758 1066550120 /nfs/dbraw/zinc/55/01/20/1066550120.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 1 475.726 2.899 20 0 JFADMP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081758 1066550136 /nfs/dbraw/zinc/55/01/36/1066550136.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 1 475.726 2.899 20 0 JFADMP CCC[C@@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081758 1066550152 /nfs/dbraw/zinc/55/01/52/1066550152.db2.gz OQJPPRJMNJQLQX-HSZRJFAPSA-N 2 1 475.726 2.899 20 0 JFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c23)C1 ZINC001164390648 718809700 /nfs/dbraw/zinc/80/97/00/718809700.db2.gz BDDRFOQDHJDXCU-QGZVFWFLSA-N 2 1 468.671 2.860 20 0 JFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424085 718916339 /nfs/dbraw/zinc/91/63/39/718916339.db2.gz KUYFKKZRCPBSLR-IQGLISFBSA-N 2 1 471.671 2.997 20 0 JFADMP Cc1cc2c(ncnc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1S(=O)(=O)c1ccccc1 ZINC001164682589 719609821 /nfs/dbraw/zinc/60/98/21/719609821.db2.gz FBQGFCNNOANQPB-UHFFFAOYSA-N 2 1 479.610 2.648 20 0 JFADMP Cc1cc2c(ncnc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1S(=O)(=O)c1ccccc1 ZINC001164682589 719609829 /nfs/dbraw/zinc/60/98/29/719609829.db2.gz FBQGFCNNOANQPB-UHFFFAOYSA-N 2 1 479.610 2.648 20 0 JFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164719665 720126829 /nfs/dbraw/zinc/12/68/29/720126829.db2.gz ZUGDOVQHKZNZBW-QHCPKHFHSA-N 2 1 450.631 2.736 20 0 JFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164714838 720134116 /nfs/dbraw/zinc/13/41/16/720134116.db2.gz ZTYFFEJTXAWUDC-HSZRJFAPSA-N 3 1 450.631 2.912 20 0 JFADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164714838 720134132 /nfs/dbraw/zinc/13/41/32/720134132.db2.gz ZTYFFEJTXAWUDC-HSZRJFAPSA-N 2 1 450.631 2.912 20 0 JFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164714838 720134140 /nfs/dbraw/zinc/13/41/40/720134140.db2.gz ZTYFFEJTXAWUDC-HSZRJFAPSA-N 2 1 450.631 2.912 20 0 JFADMP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748539 720877355 /nfs/dbraw/zinc/87/73/55/720877355.db2.gz FVGSFQRPCMLSQT-CPJSRVTESA-N 2 1 469.033 2.926 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755410 720895469 /nfs/dbraw/zinc/89/54/69/720895469.db2.gz LXIDHIMVEDTMQT-RXFWQSSRSA-N 2 1 476.581 2.895 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755410 720895471 /nfs/dbraw/zinc/89/54/71/720895471.db2.gz LXIDHIMVEDTMQT-RXFWQSSRSA-N 2 1 476.581 2.895 20 0 JFADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC2)C1 ZINC001164879191 721294190 /nfs/dbraw/zinc/29/41/90/721294190.db2.gz WOSLEVCICGPVSN-UHFFFAOYSA-N 2 1 498.018 2.664 20 0 JFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164783987 721464078 /nfs/dbraw/zinc/46/40/78/721464078.db2.gz GPUVORLBOFQDCB-HSZRJFAPSA-N 3 1 457.663 2.743 20 0 JFADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164783987 721464081 /nfs/dbraw/zinc/46/40/81/721464081.db2.gz GPUVORLBOFQDCB-HSZRJFAPSA-N 2 1 457.663 2.743 20 0 JFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164783987 721464082 /nfs/dbraw/zinc/46/40/82/721464082.db2.gz GPUVORLBOFQDCB-HSZRJFAPSA-N 2 1 457.663 2.743 20 0 JFADMP CC[NH+](CC)C1CCN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)CC1 ZINC001165053760 722005034 /nfs/dbraw/zinc/00/50/34/722005034.db2.gz UWGHGDUYIXMLLD-UHFFFAOYSA-N 2 1 487.718 2.586 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869363 1061260390 /nfs/dbraw/zinc/26/03/90/1061260390.db2.gz DVKNWLACNRBDIV-OFNKIYASSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869363 1061260412 /nfs/dbraw/zinc/26/04/12/1061260412.db2.gz DVKNWLACNRBDIV-OFNKIYASSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869363 1061260436 /nfs/dbraw/zinc/26/04/36/1061260436.db2.gz DVKNWLACNRBDIV-OFNKIYASSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286886610 1061329776 /nfs/dbraw/zinc/32/97/76/1061329776.db2.gz GFWQUIHQGNADSH-ACIOBRDBSA-N 2 1 473.710 2.685 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@H]2CCC[N@H+]2CCCO)cc1C ZINC001289743328 1061359931 /nfs/dbraw/zinc/35/99/31/1061359931.db2.gz NSKDGFMZBUOGHP-XMMPIXPASA-N 2 1 497.688 2.772 20 0 JFADMP Cc1ccc(OCc2nnc(N3CC[NH+](C(C)C)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001289824426 1061490543 /nfs/dbraw/zinc/49/05/43/1061490543.db2.gz KETKFNJZTFRCFT-UHFFFAOYSA-N 2 1 469.678 2.722 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)n1 ZINC001289973774 1061686290 /nfs/dbraw/zinc/68/62/90/1061686290.db2.gz WZNKBOSXBKHRLQ-UHFFFAOYSA-N 2 1 455.651 2.804 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C1 ZINC001294456764 1062004278 /nfs/dbraw/zinc/00/42/78/1062004278.db2.gz JROBJMCMBGUZDU-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C1 ZINC001294456764 1062004300 /nfs/dbraw/zinc/00/43/00/1062004300.db2.gz JROBJMCMBGUZDU-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001294456764 1062004325 /nfs/dbraw/zinc/00/43/25/1062004325.db2.gz JROBJMCMBGUZDU-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001294456764 1062004352 /nfs/dbraw/zinc/00/43/52/1062004352.db2.gz JROBJMCMBGUZDU-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294460569 1062009156 /nfs/dbraw/zinc/00/91/56/1062009156.db2.gz GSGSQUPXRMOHQI-WZONZLPQSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294460569 1062009180 /nfs/dbraw/zinc/00/91/80/1062009180.db2.gz GSGSQUPXRMOHQI-WZONZLPQSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294460569 1062009205 /nfs/dbraw/zinc/00/92/05/1062009205.db2.gz GSGSQUPXRMOHQI-WZONZLPQSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294470428 1062024135 /nfs/dbraw/zinc/02/41/35/1062024135.db2.gz LMAUGMWPRHPHQQ-YADARESESA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294470428 1062024157 /nfs/dbraw/zinc/02/41/57/1062024157.db2.gz LMAUGMWPRHPHQQ-YADARESESA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294470428 1062024181 /nfs/dbraw/zinc/02/41/81/1062024181.db2.gz LMAUGMWPRHPHQQ-YADARESESA-N 2 1 477.053 2.745 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294475567 1062027880 /nfs/dbraw/zinc/02/78/80/1062027880.db2.gz WCXQQRDJAQMPOM-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001294516491 1062054003 /nfs/dbraw/zinc/05/40/03/1062054003.db2.gz UEIPANVCYXUGGK-LJQANCHMSA-N 2 1 476.695 2.501 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294516491 1062054024 /nfs/dbraw/zinc/05/40/24/1062054024.db2.gz UEIPANVCYXUGGK-LJQANCHMSA-N 2 1 476.695 2.501 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294516491 1062054046 /nfs/dbraw/zinc/05/40/46/1062054046.db2.gz UEIPANVCYXUGGK-LJQANCHMSA-N 2 1 476.695 2.501 20 0 JFADMP CCC[N@@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC001294527090 1062064103 /nfs/dbraw/zinc/06/41/03/1062064103.db2.gz LUOFYSKWEUVNRR-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001294527090 1062064127 /nfs/dbraw/zinc/06/41/27/1062064127.db2.gz LUOFYSKWEUVNRR-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC001294527090 1062064143 /nfs/dbraw/zinc/06/41/43/1062064143.db2.gz LUOFYSKWEUVNRR-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290400243 1062100871 /nfs/dbraw/zinc/10/08/71/1062100871.db2.gz CSQUOSSFSYILLC-GBESFXJTSA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290400243 1062100879 /nfs/dbraw/zinc/10/08/79/1062100879.db2.gz CSQUOSSFSYILLC-GBESFXJTSA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cs1 ZINC001290400243 1062100886 /nfs/dbraw/zinc/10/08/86/1062100886.db2.gz CSQUOSSFSYILLC-GBESFXJTSA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@@H]2C)cs1 ZINC001290400243 1062100898 /nfs/dbraw/zinc/10/08/98/1062100898.db2.gz CSQUOSSFSYILLC-GBESFXJTSA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001290432336 1062194939 /nfs/dbraw/zinc/19/49/39/1062194939.db2.gz MPTLXRXFKGSTFK-HXUWFJFHSA-N 2 1 475.707 2.913 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001294671438 1062230483 /nfs/dbraw/zinc/23/04/83/1062230483.db2.gz WRIBJXRXJRBKST-MOPGFXCFSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001294671438 1062230507 /nfs/dbraw/zinc/23/05/07/1062230507.db2.gz WRIBJXRXJRBKST-MOPGFXCFSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001294671438 1062230531 /nfs/dbraw/zinc/23/05/31/1062230531.db2.gz WRIBJXRXJRBKST-MOPGFXCFSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001294684212 1062244171 /nfs/dbraw/zinc/24/41/71/1062244171.db2.gz UDHBEPPLZUAIBA-FCHUYYIVSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001294708363 1062274843 /nfs/dbraw/zinc/27/48/43/1062274843.db2.gz IMQYIGRNEOAHKN-JTHBVZDNSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294708363 1062274869 /nfs/dbraw/zinc/27/48/69/1062274869.db2.gz IMQYIGRNEOAHKN-JTHBVZDNSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294708363 1062274893 /nfs/dbraw/zinc/27/48/93/1062274893.db2.gz IMQYIGRNEOAHKN-JTHBVZDNSA-N 2 1 455.651 2.685 20 0 JFADMP CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158602 1062552326 /nfs/dbraw/zinc/55/23/26/1062552326.db2.gz FUNUUCRNAAKFPE-GSPCLOLRSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158602 1062552345 /nfs/dbraw/zinc/55/23/45/1062552345.db2.gz FUNUUCRNAAKFPE-GSPCLOLRSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@H](Cn1c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287164373 1062573974 /nfs/dbraw/zinc/57/39/74/1062573974.db2.gz JZTUGBFTGLMPBX-DEOSSOPVSA-N 2 1 489.753 2.927 20 0 JFADMP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287213848 1062674118 /nfs/dbraw/zinc/67/41/18/1062674118.db2.gz FWSGCICQDSUMHS-UXHICEINSA-N 2 1 459.664 2.509 20 0 JFADMP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290769734 1062685374 /nfs/dbraw/zinc/68/53/74/1062685374.db2.gz KYGBCFNXTHOLEX-QFIPXVFZSA-N 2 1 459.683 2.525 20 0 JFADMP CC(C)c1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287222205 1062707527 /nfs/dbraw/zinc/70/75/27/1062707527.db2.gz CFIHFJNAKLQHRO-UHFFFAOYSA-N 2 1 483.705 2.766 20 0 JFADMP CC(C)c1nnc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287222205 1062707542 /nfs/dbraw/zinc/70/75/42/1062707542.db2.gz CFIHFJNAKLQHRO-UHFFFAOYSA-N 2 1 483.705 2.766 20 0 JFADMP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222391 1062707940 /nfs/dbraw/zinc/70/79/40/1062707940.db2.gz CYENPEUJGLODCD-HSZRJFAPSA-N 2 1 475.726 2.897 20 0 JFADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC001290806801 1062709286 /nfs/dbraw/zinc/70/92/86/1062709286.db2.gz YEIDRICYCDZZGU-SANMLTNESA-N 2 1 450.627 2.914 20 0 JFADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC001290806801 1062709313 /nfs/dbraw/zinc/70/93/13/1062709313.db2.gz YEIDRICYCDZZGU-SANMLTNESA-N 2 1 450.627 2.914 20 0 JFADMP CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328928 1062804392 /nfs/dbraw/zinc/80/43/92/1062804392.db2.gz OXPPBAKLGJIDKF-RPWUZVMVSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329173 1062805061 /nfs/dbraw/zinc/80/50/61/1062805061.db2.gz RTRJEACWAUDNSP-DQEYMECFSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001287375104 1062833627 /nfs/dbraw/zinc/83/36/27/1062833627.db2.gz VZWYVKMSOROSQU-OAQYLSRUSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001287375104 1062833652 /nfs/dbraw/zinc/83/36/52/1062833652.db2.gz VZWYVKMSOROSQU-OAQYLSRUSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001287375104 1062833670 /nfs/dbraw/zinc/83/36/70/1062833670.db2.gz VZWYVKMSOROSQU-OAQYLSRUSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001287375104 1062833689 /nfs/dbraw/zinc/83/36/89/1062833689.db2.gz VZWYVKMSOROSQU-OAQYLSRUSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287461676 1062899026 /nfs/dbraw/zinc/89/90/26/1062899026.db2.gz ABNHZRAZMGOHNJ-SFTDATJTSA-N 2 1 473.691 2.584 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCCC[NH+]1CCCCC1 ZINC001287462314 1062902565 /nfs/dbraw/zinc/90/25/65/1062902565.db2.gz MZZUTXDCWNYVIJ-HSZRJFAPSA-N 2 1 473.710 2.876 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001291012419 1062916278 /nfs/dbraw/zinc/91/62/78/1062916278.db2.gz ZCPLWIFALSSFML-ZLNRFVROSA-N 2 1 494.750 2.859 20 0 JFADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012674 1062918139 /nfs/dbraw/zinc/91/81/39/1062918139.db2.gz CSYGCCWINNECQV-NJDAHSKKSA-N 2 1 497.754 2.567 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[NH+](CC)C[C@@H]2C)c1 ZINC001295126310 1062941364 /nfs/dbraw/zinc/94/13/64/1062941364.db2.gz DVLXDTGATVOPRL-SFTDATJTSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001295126310 1062941376 /nfs/dbraw/zinc/94/13/76/1062941376.db2.gz DVLXDTGATVOPRL-SFTDATJTSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001295126310 1062941397 /nfs/dbraw/zinc/94/13/97/1062941397.db2.gz DVLXDTGATVOPRL-SFTDATJTSA-N 2 1 467.662 2.933 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748657 1063072375 /nfs/dbraw/zinc/07/23/75/1063072375.db2.gz AVUGXRKIGSBSDP-ZEQKJWHPSA-N 2 1 492.709 2.598 20 0 JFADMP CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291101551 1063073139 /nfs/dbraw/zinc/07/31/39/1063073139.db2.gz WORMFALZORLPRM-QFIPXVFZSA-N 2 1 489.709 2.572 20 0 JFADMP CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291101551 1063073166 /nfs/dbraw/zinc/07/31/66/1063073166.db2.gz WORMFALZORLPRM-QFIPXVFZSA-N 2 1 489.709 2.572 20 0 JFADMP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102266 1063076652 /nfs/dbraw/zinc/07/66/52/1063076652.db2.gz JYIVCZLBXFJBKR-RTWAWAEBSA-N 2 1 489.709 2.534 20 0 JFADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102266 1063076676 /nfs/dbraw/zinc/07/66/76/1063076676.db2.gz JYIVCZLBXFJBKR-RTWAWAEBSA-N 2 1 489.709 2.534 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103256 1063079766 /nfs/dbraw/zinc/07/97/66/1063079766.db2.gz ASHAJUGLQRVSIT-LEWJYISDSA-N 2 1 459.683 2.991 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106642 1063094015 /nfs/dbraw/zinc/09/40/15/1063094015.db2.gz YQVADIWGVGVZKJ-KCZVDYSFSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106642 1063094040 /nfs/dbraw/zinc/09/40/40/1063094040.db2.gz YQVADIWGVGVZKJ-KCZVDYSFSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106642 1063094063 /nfs/dbraw/zinc/09/40/63/1063094063.db2.gz YQVADIWGVGVZKJ-KCZVDYSFSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144713 1063226626 /nfs/dbraw/zinc/22/66/26/1063226626.db2.gz TVHCKHIOSPBOTO-GGAORHGYSA-N 2 1 494.750 2.857 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180066 1063271017 /nfs/dbraw/zinc/27/10/17/1063271017.db2.gz SZKVCHFEENFBLX-GOTSBHOMSA-N 2 1 494.750 2.859 20 0 JFADMP C[C@@H]1C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187969 1063299129 /nfs/dbraw/zinc/29/91/29/1063299129.db2.gz BZBWOLHIZUFSBR-OYRHEFFESA-N 2 1 489.709 2.599 20 0 JFADMP C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187969 1063299149 /nfs/dbraw/zinc/29/91/49/1063299149.db2.gz BZBWOLHIZUFSBR-OYRHEFFESA-N 2 1 489.709 2.599 20 0 JFADMP C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187969 1063299164 /nfs/dbraw/zinc/29/91/64/1063299164.db2.gz BZBWOLHIZUFSBR-OYRHEFFESA-N 2 1 489.709 2.599 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)CC1 ZINC001295374271 1063342987 /nfs/dbraw/zinc/34/29/87/1063342987.db2.gz WEFLLGAETWMEBC-FQEVSTJZSA-N 2 1 453.635 2.936 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295383313 1063356089 /nfs/dbraw/zinc/35/60/89/1063356089.db2.gz AQKVDWSDZDZVFX-PLXFJCCSSA-N 2 1 495.716 2.782 20 0 JFADMP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291209861 1063385346 /nfs/dbraw/zinc/38/53/46/1063385346.db2.gz SHLDRGZQPQNZKK-HLIPFELVSA-N 2 1 477.451 2.815 20 0 JFADMP C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291217038 1063436794 /nfs/dbraw/zinc/43/67/94/1063436794.db2.gz VCOVWPBYTDZPMI-HLIPFELVSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001295464450 1063467605 /nfs/dbraw/zinc/46/76/05/1063467605.db2.gz GNBRCLDTTQOKQL-UHFFFAOYSA-N 2 1 467.662 2.728 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295465504 1063470203 /nfs/dbraw/zinc/47/02/03/1063470203.db2.gz XTPOUPZUSAHMMN-XMMPIXPASA-N 2 1 477.053 2.984 20 0 JFADMP C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291226211 1063472817 /nfs/dbraw/zinc/47/28/17/1063472817.db2.gz FAPGSXTWSFKVJQ-UWVAXJGDSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295472205 1063477781 /nfs/dbraw/zinc/47/77/81/1063477781.db2.gz JBKNSMKMTIQBOR-NHCUHLMSSA-N 2 1 480.723 2.611 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295490514 1063516697 /nfs/dbraw/zinc/51/66/97/1063516697.db2.gz UBSHLXIWYQKNFU-XMMPIXPASA-N 2 1 469.678 2.931 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001295490703 1063517760 /nfs/dbraw/zinc/51/77/60/1063517760.db2.gz FQUFVJAMDMZLAH-HSZRJFAPSA-N 2 1 481.689 2.510 20 0 JFADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295502446 1063536412 /nfs/dbraw/zinc/53/64/12/1063536412.db2.gz GDZATTGRFRWDMJ-SIKLNZKXSA-N 2 1 453.635 2.650 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295525351 1063563600 /nfs/dbraw/zinc/56/36/00/1063563600.db2.gz VOPIZTNWUBDPGE-LJQANCHMSA-N 2 1 464.561 2.799 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295525351 1063563620 /nfs/dbraw/zinc/56/36/20/1063563620.db2.gz VOPIZTNWUBDPGE-LJQANCHMSA-N 2 1 464.561 2.799 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001295551185 1063584275 /nfs/dbraw/zinc/58/42/75/1063584275.db2.gz QKMCNMTWFMRZMN-HXUWFJFHSA-N 2 1 473.641 2.998 20 0 JFADMP C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292684 1063678446 /nfs/dbraw/zinc/67/84/46/1063678446.db2.gz IAJFFXBBLJXDCH-YADHBBJMSA-N 2 1 462.683 2.526 20 0 JFADMP C[C@H]1C[N@H+](CCCn2c(N(C)CC[NH+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295472 1063695903 /nfs/dbraw/zinc/69/59/03/1063695903.db2.gz ZKSJECBKLQOYBL-FQEVSTJZSA-N 2 1 450.672 2.624 20 0 JFADMP C[C@H]1C[N@@H+](CCCn2c(N(C)CC[NH+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295472 1063695909 /nfs/dbraw/zinc/69/59/09/1063695909.db2.gz ZKSJECBKLQOYBL-FQEVSTJZSA-N 2 1 450.672 2.624 20 0 JFADMP C[C@H]1C[NH+](CCCn2c(N(C)CC[N@@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295472 1063695915 /nfs/dbraw/zinc/69/59/15/1063695915.db2.gz ZKSJECBKLQOYBL-FQEVSTJZSA-N 2 1 450.672 2.624 20 0 JFADMP C[C@H]1C[NH+](CCCn2c(N(C)CC[N@H+]3CCOC(C)(C)C3)nnc2C(C)(C)C)CCCO1 ZINC001291295472 1063695919 /nfs/dbraw/zinc/69/59/19/1063695919.db2.gz ZKSJECBKLQOYBL-FQEVSTJZSA-N 2 1 450.672 2.624 20 0 JFADMP CC[N@@H+](CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCc2cccs2)CC1)C(C)C ZINC001295815888 1063820799 /nfs/dbraw/zinc/82/07/99/1063820799.db2.gz NYTFJHNJMNSUKG-UHFFFAOYSA-N 2 1 473.691 2.671 20 0 JFADMP CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833701 1063848771 /nfs/dbraw/zinc/84/87/71/1063848771.db2.gz BYTFNOGBGLZADV-RCZVLFRGSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833701 1063848790 /nfs/dbraw/zinc/84/87/90/1063848790.db2.gz BYTFNOGBGLZADV-RCZVLFRGSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295836228 1063852412 /nfs/dbraw/zinc/85/24/12/1063852412.db2.gz PRZCYTKBDWRXBL-GOSISDBHSA-N 2 1 482.551 2.749 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccc2OC)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295836228 1063852427 /nfs/dbraw/zinc/85/24/27/1063852427.db2.gz PRZCYTKBDWRXBL-GOSISDBHSA-N 2 1 482.551 2.749 20 0 JFADMP CC[NH+](CCn1c(-c2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295836228 1063852437 /nfs/dbraw/zinc/85/24/37/1063852437.db2.gz PRZCYTKBDWRXBL-GOSISDBHSA-N 2 1 482.551 2.749 20 0 JFADMP CC[NH+](CCn1c(-c2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295836228 1063852452 /nfs/dbraw/zinc/85/24/52/1063852452.db2.gz PRZCYTKBDWRXBL-GOSISDBHSA-N 2 1 482.551 2.749 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854350 1063882765 /nfs/dbraw/zinc/88/27/65/1063882765.db2.gz VTLLQOOXLFPEAF-RJGXRXQPSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@H](C)C1)C(C)C ZINC001295856471 1063887035 /nfs/dbraw/zinc/88/70/35/1063887035.db2.gz MDRGRDIUUDPKQK-RTWAWAEBSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC001295856471 1063887046 /nfs/dbraw/zinc/88/70/46/1063887046.db2.gz MDRGRDIUUDPKQK-RTWAWAEBSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C(C)C ZINC001295856471 1063887060 /nfs/dbraw/zinc/88/70/60/1063887060.db2.gz MDRGRDIUUDPKQK-RTWAWAEBSA-N 2 1 493.697 2.847 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977595 1064024299 /nfs/dbraw/zinc/02/42/99/1064024299.db2.gz OTUVDTMCCIENDF-UXHICEINSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977595 1064024306 /nfs/dbraw/zinc/02/43/06/1064024306.db2.gz OTUVDTMCCIENDF-UXHICEINSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977595 1064024312 /nfs/dbraw/zinc/02/43/12/1064024312.db2.gz OTUVDTMCCIENDF-UXHICEINSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977595 1064024322 /nfs/dbraw/zinc/02/43/22/1064024322.db2.gz OTUVDTMCCIENDF-UXHICEINSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001295980174 1064029506 /nfs/dbraw/zinc/02/95/06/1064029506.db2.gz QVMDUSVTEUKKIL-FKBYEOEOSA-N 2 1 497.688 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001295980174 1064029514 /nfs/dbraw/zinc/02/95/14/1064029514.db2.gz QVMDUSVTEUKKIL-FKBYEOEOSA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001295980174 1064029524 /nfs/dbraw/zinc/02/95/24/1064029524.db2.gz QVMDUSVTEUKKIL-FKBYEOEOSA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001295980174 1064029530 /nfs/dbraw/zinc/02/95/30/1064029530.db2.gz QVMDUSVTEUKKIL-FKBYEOEOSA-N 2 1 497.688 2.604 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001291471083 1064032827 /nfs/dbraw/zinc/03/28/27/1064032827.db2.gz YVLQUVHDBVEFBG-CDNNERCOSA-N 2 1 473.710 2.902 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291476475 1064034818 /nfs/dbraw/zinc/03/48/18/1064034818.db2.gz RULJKHZPKNHPQL-MXBUBSDBSA-N 2 1 450.697 2.776 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295982507 1064035780 /nfs/dbraw/zinc/03/57/80/1064035780.db2.gz UGFFEHVDZNRGCF-IUBSTNSRSA-N 2 1 450.672 2.968 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001295996208 1064052466 /nfs/dbraw/zinc/05/24/66/1064052466.db2.gz NAHMRJHQBGLKNL-UXHICEINSA-N 2 1 466.634 2.586 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296003431 1064058893 /nfs/dbraw/zinc/05/88/93/1064058893.db2.gz UEWGTFFORHWLSD-FCHUYYIVSA-N 2 1 454.663 2.943 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009922 1064067441 /nfs/dbraw/zinc/06/74/41/1064067441.db2.gz NVBDUFSHGDYFGY-CNNODRBYSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009922 1064067450 /nfs/dbraw/zinc/06/74/50/1064067450.db2.gz NVBDUFSHGDYFGY-CNNODRBYSA-N 2 1 475.707 2.910 20 0 JFADMP CC[NH+]1CCC(CCn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031312 1064089429 /nfs/dbraw/zinc/08/94/29/1064089429.db2.gz UIPWOFLFSMUTAW-XMMPIXPASA-N 2 1 489.753 2.929 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001296033029 1064090911 /nfs/dbraw/zinc/09/09/11/1064090911.db2.gz IIATVSPALOFXTC-IBGZPJMESA-N 2 1 454.623 2.578 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001296033029 1064090919 /nfs/dbraw/zinc/09/09/19/1064090919.db2.gz IIATVSPALOFXTC-IBGZPJMESA-N 2 1 454.623 2.578 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001296033029 1064090927 /nfs/dbraw/zinc/09/09/27/1064090927.db2.gz IIATVSPALOFXTC-IBGZPJMESA-N 2 1 454.623 2.578 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001296033720 1064092403 /nfs/dbraw/zinc/09/24/03/1064092403.db2.gz NUBVRHADRWUTGP-ICSRJNTNSA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001296033720 1064092406 /nfs/dbraw/zinc/09/24/06/1064092406.db2.gz NUBVRHADRWUTGP-ICSRJNTNSA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001296033720 1064092415 /nfs/dbraw/zinc/09/24/15/1064092415.db2.gz NUBVRHADRWUTGP-ICSRJNTNSA-N 2 1 474.053 2.734 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291579256 1064105459 /nfs/dbraw/zinc/10/54/59/1064105459.db2.gz IOQWPZWBLNALOI-BDTNDASRSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001291579256 1064105465 /nfs/dbraw/zinc/10/54/65/1064105465.db2.gz IOQWPZWBLNALOI-BDTNDASRSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001291579256 1064105481 /nfs/dbraw/zinc/10/54/81/1064105481.db2.gz IOQWPZWBLNALOI-BDTNDASRSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001291579632 1064106664 /nfs/dbraw/zinc/10/66/64/1064106664.db2.gz KDTFUOILNHVPSE-VJBMBRPKSA-N 2 1 485.652 2.976 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001291579631 1064106669 /nfs/dbraw/zinc/10/66/69/1064106669.db2.gz KDTFUOILNHVPSE-PMOQBDJRSA-N 2 1 485.652 2.976 20 0 JFADMP CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001296054848 1064116356 /nfs/dbraw/zinc/11/63/56/1064116356.db2.gz DKHOEXZOWUIHJC-QUCCMNQESA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001296054848 1064116363 /nfs/dbraw/zinc/11/63/63/1064116363.db2.gz DKHOEXZOWUIHJC-QUCCMNQESA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001296054852 1064116419 /nfs/dbraw/zinc/11/64/19/1064116419.db2.gz DKHOEXZOWUIHJC-UYAOXDASSA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001296054852 1064116420 /nfs/dbraw/zinc/11/64/20/1064116420.db2.gz DKHOEXZOWUIHJC-UYAOXDASSA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001296054847 1064116447 /nfs/dbraw/zinc/11/64/47/1064116447.db2.gz DKHOEXZOWUIHJC-ICSRJNTNSA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001296054847 1064116448 /nfs/dbraw/zinc/11/64/48/1064116448.db2.gz DKHOEXZOWUIHJC-ICSRJNTNSA-N 2 1 459.664 2.845 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001296059433 1064122256 /nfs/dbraw/zinc/12/22/56/1064122256.db2.gz FQDMCGHGRPKBCJ-NRFANRHFSA-N 2 1 474.675 2.800 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296084733 1064152240 /nfs/dbraw/zinc/15/22/40/1064152240.db2.gz ODVHCOQIHYBDHJ-LEWJYISDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296084733 1064152243 /nfs/dbraw/zinc/15/22/43/1064152243.db2.gz ODVHCOQIHYBDHJ-LEWJYISDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296084733 1064152248 /nfs/dbraw/zinc/15/22/48/1064152248.db2.gz ODVHCOQIHYBDHJ-LEWJYISDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296088429 1064158928 /nfs/dbraw/zinc/15/89/28/1064158928.db2.gz LAIXYCNIALNOEN-UNMCSNQZSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296088429 1064158932 /nfs/dbraw/zinc/15/89/32/1064158932.db2.gz LAIXYCNIALNOEN-UNMCSNQZSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296088429 1064158934 /nfs/dbraw/zinc/15/89/34/1064158934.db2.gz LAIXYCNIALNOEN-UNMCSNQZSA-N 2 1 486.661 2.994 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620523 1064159937 /nfs/dbraw/zinc/15/99/37/1064159937.db2.gz JWCKOQONOFTNBH-YYDVJCTNSA-N 2 1 450.697 2.918 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626805 1064167714 /nfs/dbraw/zinc/16/77/14/1064167714.db2.gz AJCPDMNAAAIFNJ-LADGPHEKSA-N 2 1 483.705 2.673 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001296118737 1064201896 /nfs/dbraw/zinc/20/18/96/1064201896.db2.gz IYXTZONRVMUMEQ-SZPZYZBQSA-N 2 1 473.710 2.725 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC001296118737 1064201905 /nfs/dbraw/zinc/20/19/05/1064201905.db2.gz IYXTZONRVMUMEQ-SZPZYZBQSA-N 2 1 473.710 2.725 20 0 JFADMP CC[N@@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001296119488 1064204852 /nfs/dbraw/zinc/20/48/52/1064204852.db2.gz VLXXEHMRFQSLKO-QFIPXVFZSA-N 2 1 459.683 2.656 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001296119488 1064204860 /nfs/dbraw/zinc/20/48/60/1064204860.db2.gz VLXXEHMRFQSLKO-QFIPXVFZSA-N 2 1 459.683 2.656 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291759416 1064239188 /nfs/dbraw/zinc/23/91/88/1064239188.db2.gz DYIDNKMNKXETLV-JTAQYXEDSA-N 2 1 456.635 2.841 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291759416 1064239198 /nfs/dbraw/zinc/23/91/98/1064239198.db2.gz DYIDNKMNKXETLV-JTAQYXEDSA-N 2 1 456.635 2.841 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291760021 1064241414 /nfs/dbraw/zinc/24/14/14/1064241414.db2.gz MQNWIACXSMCPBR-LJQANCHMSA-N 2 1 490.722 2.807 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001291761984 1064243199 /nfs/dbraw/zinc/24/31/99/1064243199.db2.gz RHNNQKWQFOUFOF-ROUUACIJSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001291761984 1064243206 /nfs/dbraw/zinc/24/32/06/1064243206.db2.gz RHNNQKWQFOUFOF-ROUUACIJSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001291761984 1064243214 /nfs/dbraw/zinc/24/32/14/1064243214.db2.gz RHNNQKWQFOUFOF-ROUUACIJSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763098 1064243750 /nfs/dbraw/zinc/24/37/50/1064243750.db2.gz VXIPUOILHFXKKP-MZLICYQSSA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763098 1064243761 /nfs/dbraw/zinc/24/37/61/1064243761.db2.gz VXIPUOILHFXKKP-MZLICYQSSA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291766676 1064248004 /nfs/dbraw/zinc/24/80/04/1064248004.db2.gz DYLLLMPHPFGVFX-NHCUHLMSSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001296142744 1064251019 /nfs/dbraw/zinc/25/10/19/1064251019.db2.gz MXUXWJPVCVBNKJ-QGZVFWFLSA-N 2 1 465.440 2.816 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001296145162 1064255479 /nfs/dbraw/zinc/25/54/79/1064255479.db2.gz XEMDRRDJEPBSHQ-KRWDZBQOSA-N 2 1 469.590 2.706 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001296145162 1064255486 /nfs/dbraw/zinc/25/54/86/1064255486.db2.gz XEMDRRDJEPBSHQ-KRWDZBQOSA-N 2 1 469.590 2.706 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291772999 1064257405 /nfs/dbraw/zinc/25/74/05/1064257405.db2.gz DFPXTBPPPRBUCV-RBBKRZOGSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291772999 1064257414 /nfs/dbraw/zinc/25/74/14/1064257414.db2.gz DFPXTBPPPRBUCV-RBBKRZOGSA-N 2 1 480.723 2.613 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296154357 1064264274 /nfs/dbraw/zinc/26/42/74/1064264274.db2.gz LRERJYNECUQUTI-QZTJIDSGSA-N 2 1 477.451 2.959 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296154357 1064264282 /nfs/dbraw/zinc/26/42/82/1064264282.db2.gz LRERJYNECUQUTI-QZTJIDSGSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296154357 1064264290 /nfs/dbraw/zinc/26/42/90/1064264290.db2.gz LRERJYNECUQUTI-QZTJIDSGSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296154357 1064264298 /nfs/dbraw/zinc/26/42/98/1064264298.db2.gz LRERJYNECUQUTI-QZTJIDSGSA-N 2 1 477.451 2.959 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291781302 1064268322 /nfs/dbraw/zinc/26/83/22/1064268322.db2.gz DIIKHMYVAHTWDN-QUCCMNQESA-N 2 1 461.680 2.523 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291781302 1064268332 /nfs/dbraw/zinc/26/83/32/1064268332.db2.gz DIIKHMYVAHTWDN-QUCCMNQESA-N 2 1 461.680 2.523 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001296160814 1064274957 /nfs/dbraw/zinc/27/49/57/1064274957.db2.gz PMHJJDXILVICBZ-XUVXKRRUSA-N 2 1 463.671 2.873 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@@H]1C ZINC001296165431 1064284660 /nfs/dbraw/zinc/28/46/60/1064284660.db2.gz JJGAWQFURJHSQJ-UKILVPOCSA-N 2 1 483.705 2.844 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296167110 1064288995 /nfs/dbraw/zinc/28/89/95/1064288995.db2.gz QRXZWNCVGZZFPG-UXHICEINSA-N 2 1 473.691 2.922 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296167881 1064291505 /nfs/dbraw/zinc/29/15/05/1064291505.db2.gz VHXJMGUGQLQJLQ-VWNXMTODSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296167881 1064291517 /nfs/dbraw/zinc/29/15/17/1064291517.db2.gz VHXJMGUGQLQJLQ-VWNXMTODSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296167881 1064291527 /nfs/dbraw/zinc/29/15/27/1064291527.db2.gz VHXJMGUGQLQJLQ-VWNXMTODSA-N 2 1 470.662 2.787 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174815 1064302768 /nfs/dbraw/zinc/30/27/68/1064302768.db2.gz RWRMNIDNWXYNEU-VWNXMTODSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174815 1064302779 /nfs/dbraw/zinc/30/27/79/1064302779.db2.gz RWRMNIDNWXYNEU-VWNXMTODSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174815 1064302794 /nfs/dbraw/zinc/30/27/94/1064302794.db2.gz RWRMNIDNWXYNEU-VWNXMTODSA-N 2 1 497.688 2.639 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296175000 1064302880 /nfs/dbraw/zinc/30/28/80/1064302880.db2.gz URYXLUKGKVGWDR-FGZHOGPDSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296175000 1064302895 /nfs/dbraw/zinc/30/28/95/1064302895.db2.gz URYXLUKGKVGWDR-FGZHOGPDSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296175000 1064302907 /nfs/dbraw/zinc/30/29/07/1064302907.db2.gz URYXLUKGKVGWDR-FGZHOGPDSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001296183293 1064327757 /nfs/dbraw/zinc/32/77/57/1064327757.db2.gz CUYOKXBHFSBCJP-ISJGIBHGSA-N 2 1 488.769 2.670 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296190686 1064339663 /nfs/dbraw/zinc/33/96/63/1064339663.db2.gz DUQZMJXRMQZZNI-HBMCJLEFSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296190686 1064339677 /nfs/dbraw/zinc/33/96/77/1064339677.db2.gz DUQZMJXRMQZZNI-HBMCJLEFSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296190686 1064339684 /nfs/dbraw/zinc/33/96/84/1064339684.db2.gz DUQZMJXRMQZZNI-HBMCJLEFSA-N 2 1 488.750 2.826 20 0 JFADMP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC001296191834 1064343150 /nfs/dbraw/zinc/34/31/50/1064343150.db2.gz CEBIEFVLKBOWFH-QFIPXVFZSA-N 2 1 461.699 2.509 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC001296191834 1064343155 /nfs/dbraw/zinc/34/31/55/1064343155.db2.gz CEBIEFVLKBOWFH-QFIPXVFZSA-N 2 1 461.699 2.509 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC001296191834 1064343168 /nfs/dbraw/zinc/34/31/68/1064343168.db2.gz CEBIEFVLKBOWFH-QFIPXVFZSA-N 2 1 461.699 2.509 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192493 1064346012 /nfs/dbraw/zinc/34/60/12/1064346012.db2.gz MLGZQDSFIQNMBM-VXKWHMMOSA-N 2 1 461.699 2.714 20 0 JFADMP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296202976 1064379900 /nfs/dbraw/zinc/37/99/00/1064379900.db2.gz JRPSFYKFDRVPEQ-GOTSBHOMSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296202976 1064379912 /nfs/dbraw/zinc/37/99/12/1064379912.db2.gz JRPSFYKFDRVPEQ-GOTSBHOMSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296202976 1064379923 /nfs/dbraw/zinc/37/99/23/1064379923.db2.gz JRPSFYKFDRVPEQ-GOTSBHOMSA-N 2 1 468.694 2.601 20 0 JFADMP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296202977 1064379947 /nfs/dbraw/zinc/37/99/47/1064379947.db2.gz JRPSFYKFDRVPEQ-PKTZIBPZSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296202977 1064379963 /nfs/dbraw/zinc/37/99/63/1064379963.db2.gz JRPSFYKFDRVPEQ-PKTZIBPZSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296202977 1064379970 /nfs/dbraw/zinc/37/99/70/1064379970.db2.gz JRPSFYKFDRVPEQ-PKTZIBPZSA-N 2 1 468.694 2.601 20 0 JFADMP CCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296218953 1064430810 /nfs/dbraw/zinc/43/08/10/1064430810.db2.gz GEJROFIDCNLSNB-IBGZPJMESA-N 2 1 466.634 2.546 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCC[N@@H+]1CC ZINC001292109205 1064806891 /nfs/dbraw/zinc/80/68/91/1064806891.db2.gz GESBKPPTSXHQBK-GGAORHGYSA-N 2 1 489.709 2.620 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H]1CCCC[N@H+]1CC ZINC001292109205 1064806898 /nfs/dbraw/zinc/80/68/98/1064806898.db2.gz GESBKPPTSXHQBK-GGAORHGYSA-N 2 1 489.709 2.620 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292126680 1064877013 /nfs/dbraw/zinc/87/70/13/1064877013.db2.gz NJZHSAOVELMGHX-GMAHTHKFSA-N 2 1 489.709 2.618 20 0 JFADMP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)[NH+]1CCCC1 ZINC001292162059 1064946864 /nfs/dbraw/zinc/94/68/64/1064946864.db2.gz IBDXXAPMTMFLCA-WWNPGLIZSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1)[NH+]1CCCC1 ZINC001292181679 1064972264 /nfs/dbraw/zinc/97/22/64/1064972264.db2.gz VKJLYTAQYHTDBV-SFHVURJKSA-N 2 1 480.455 2.679 20 0 JFADMP CC[C@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001292242383 1065024818 /nfs/dbraw/zinc/02/48/18/1065024818.db2.gz JWFRYEKMMDKTNO-RUZDIDTESA-N 2 1 483.705 2.988 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292616788 1065351781 /nfs/dbraw/zinc/35/17/81/1065351781.db2.gz XZEDZCBCGBSIRG-DHIUTWEWSA-N 2 1 483.705 2.976 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001292894370 1065596055 /nfs/dbraw/zinc/59/60/55/1065596055.db2.gz XGNUJDGLIJFDTG-HYVLGVRCSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894370 1065596066 /nfs/dbraw/zinc/59/60/66/1065596066.db2.gz XGNUJDGLIJFDTG-HYVLGVRCSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894370 1065596073 /nfs/dbraw/zinc/59/60/73/1065596073.db2.gz XGNUJDGLIJFDTG-HYVLGVRCSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894343 1065596107 /nfs/dbraw/zinc/59/61/07/1065596107.db2.gz WXWWLHBFPJWCLV-WDJPJFJCSA-N 2 1 485.652 2.661 20 0 JFADMP CCc1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292993646 1065681394 /nfs/dbraw/zinc/68/13/94/1065681394.db2.gz FZTJVGLELJCVPW-OYRHEFFESA-N 2 1 462.683 2.810 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001293093732 1065742173 /nfs/dbraw/zinc/74/21/73/1065742173.db2.gz IXLNUMQSLRGZNJ-IFMALSPDSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001293093732 1065742182 /nfs/dbraw/zinc/74/21/82/1065742182.db2.gz IXLNUMQSLRGZNJ-IFMALSPDSA-N 2 1 456.635 2.579 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293556357 1066070700 /nfs/dbraw/zinc/07/07/00/1066070700.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293556357 1066070712 /nfs/dbraw/zinc/07/07/12/1066070712.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293556357 1066070722 /nfs/dbraw/zinc/07/07/22/1066070722.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293556357 1066070731 /nfs/dbraw/zinc/07/07/31/1066070731.db2.gz HYPOEPQHRZTHLP-JOCHJYFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293556941 1066071136 /nfs/dbraw/zinc/07/11/36/1066071136.db2.gz KQWOOQZSVFGFPJ-PXDATVDWSA-N 2 1 488.702 2.938 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001293565342 1066077204 /nfs/dbraw/zinc/07/72/04/1066077204.db2.gz LLWNWUAWVIZXGA-FQEVSTJZSA-N 2 1 477.053 2.868 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001293565342 1066077217 /nfs/dbraw/zinc/07/72/17/1066077217.db2.gz LLWNWUAWVIZXGA-FQEVSTJZSA-N 2 1 477.053 2.868 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001293566145 1066078527 /nfs/dbraw/zinc/07/85/27/1066078527.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566145 1066078537 /nfs/dbraw/zinc/07/85/37/1066078537.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566145 1066078551 /nfs/dbraw/zinc/07/85/51/1066078551.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001293566145 1066078561 /nfs/dbraw/zinc/07/85/61/1066078561.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001293566145 1066078572 /nfs/dbraw/zinc/07/85/72/1066078572.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566145 1066078588 /nfs/dbraw/zinc/07/85/88/1066078588.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566145 1066078606 /nfs/dbraw/zinc/07/86/06/1066078606.db2.gz CRDJPZAWNINIGN-JOCHJYFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@H+]1CCOC ZINC001293587776 1066095532 /nfs/dbraw/zinc/09/55/32/1066095532.db2.gz QSRGUGLFXUIPPQ-FYYLOGMGSA-N 2 1 492.709 2.956 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293603345 1066120018 /nfs/dbraw/zinc/12/00/18/1066120018.db2.gz XKUBKLUIUJBUKL-RTWAWAEBSA-N 2 1 464.724 2.851 20 0 JFADMP CC[C@H]1CN(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001293603343 1066120056 /nfs/dbraw/zinc/12/00/56/1066120056.db2.gz XKUBKLUIUJBUKL-LEWJYISDSA-N 2 1 464.724 2.851 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293606053 1066121880 /nfs/dbraw/zinc/12/18/80/1066121880.db2.gz FHJOQJUBXHFEFO-MYDTUXCISA-N 2 1 462.683 2.523 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293609096 1066124188 /nfs/dbraw/zinc/12/41/88/1066124188.db2.gz PSQLPSAFVADYIA-HMFYCAOWSA-N 2 1 462.589 2.644 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294065907 1066536434 /nfs/dbraw/zinc/53/64/34/1066536434.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294065907 1066536441 /nfs/dbraw/zinc/53/64/41/1066536441.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294065907 1066536454 /nfs/dbraw/zinc/53/64/54/1066536454.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294065907 1066536460 /nfs/dbraw/zinc/53/64/60/1066536460.db2.gz FIZUSSCKFMXMHD-GMAHTHKFSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CC[N@H+]1CCOC ZINC001294076363 1066545558 /nfs/dbraw/zinc/54/55/58/1066545558.db2.gz JANBRLQHCVUQBL-NRFANRHFSA-N 2 1 470.666 2.937 20 0 JFADMP CCC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001294082146 1066550622 /nfs/dbraw/zinc/55/06/22/1066550622.db2.gz PWPZSHRCDYIYBQ-DHIUTWEWSA-N 2 1 462.683 2.841 20 0 JFADMP C(c1nc2sc3c(c2c(N2CCCO[C@@]4(C[NH2+]CCOC4)C2)n1)CCCC3)[NH+]1CCCC1 ZINC001164424994 718916127 /nfs/dbraw/zinc/91/61/27/718916127.db2.gz PTNRLXNZUSPMPS-DEOSSOPVSA-N 2 1 457.644 2.751 20 0 JFADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164433718 718968921 /nfs/dbraw/zinc/96/89/21/718968921.db2.gz MYWPBGCUEXXIHO-GOTSBHOMSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164433718 718968926 /nfs/dbraw/zinc/96/89/26/718968926.db2.gz MYWPBGCUEXXIHO-GOTSBHOMSA-N 2 1 475.515 2.556 20 0 JFADMP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH+]ccc4c3NC(=O)CO4)CC2)c2ccccc21 ZINC001164680077 719670237 /nfs/dbraw/zinc/67/02/37/719670237.db2.gz BLFOYSTUCMKABG-GOSISDBHSA-N 2 1 463.582 2.506 20 0 JFADMP CC(C)N(c1ccc(C[N@@H+](C)C2CC2)cn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164688210 719686834 /nfs/dbraw/zinc/68/68/34/719686834.db2.gz XSCPASFWDIDQDA-UHFFFAOYSA-N 2 1 451.619 2.537 20 0 JFADMP Cn1nnc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717761 720175264 /nfs/dbraw/zinc/17/52/64/720175264.db2.gz MHMYDBXCGXVRCN-AREMUKBSSA-N 2 1 487.652 2.985 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832991 720319133 /nfs/dbraw/zinc/31/91/33/720319133.db2.gz VFGRHOQCYZNJBF-RTWAWAEBSA-N 2 1 482.629 2.890 20 0 JFADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750650 720899967 /nfs/dbraw/zinc/89/99/67/720899967.db2.gz BLSDDNJCHXMOLA-SQHAQQRYSA-N 2 1 462.642 2.641 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866396 721078591 /nfs/dbraw/zinc/07/85/91/721078591.db2.gz TURZOYZDAPKFMB-RPWUZVMVSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866396 721078597 /nfs/dbraw/zinc/07/85/97/721078597.db2.gz TURZOYZDAPKFMB-RPWUZVMVSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866396 721078604 /nfs/dbraw/zinc/07/86/04/721078604.db2.gz TURZOYZDAPKFMB-RPWUZVMVSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866396 721078607 /nfs/dbraw/zinc/07/86/07/721078607.db2.gz TURZOYZDAPKFMB-RPWUZVMVSA-N 2 1 456.594 2.910 20 0 JFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164785975 721450217 /nfs/dbraw/zinc/45/02/17/721450217.db2.gz KPWAJUUGMJWYRZ-SFHVURJKSA-N 2 1 450.027 2.510 20 0 JFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164783603 721462269 /nfs/dbraw/zinc/46/22/69/721462269.db2.gz DPZHRSXCCGWFLK-HSZRJFAPSA-N 2 1 457.663 2.567 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@H]2C)CC1 ZINC001286868461 1061256584 /nfs/dbraw/zinc/25/65/84/1061256584.db2.gz AHWAWGBGQXQWCJ-IRLDBZIGSA-N 2 1 473.710 2.730 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869103 1061260530 /nfs/dbraw/zinc/26/05/30/1061260530.db2.gz DVKNWLACNRBDIV-NFBKMPQASA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869103 1061260551 /nfs/dbraw/zinc/26/05/51/1061260551.db2.gz DVKNWLACNRBDIV-NFBKMPQASA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286869103 1061260572 /nfs/dbraw/zinc/26/05/72/1061260572.db2.gz DVKNWLACNRBDIV-NFBKMPQASA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@@H]2C)CC1 ZINC001286869523 1061262475 /nfs/dbraw/zinc/26/24/75/1061262475.db2.gz FJQNKPIIWPHLMM-UPVQGACJSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001286870296 1061265422 /nfs/dbraw/zinc/26/54/22/1061265422.db2.gz IPMUTQYBLQHSKQ-RCZVLFRGSA-N 2 1 496.704 2.838 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001286870292 1061265469 /nfs/dbraw/zinc/26/54/69/1061265469.db2.gz IPMUTQYBLQHSKQ-DHLKQENFSA-N 2 1 496.704 2.838 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871409 1061271377 /nfs/dbraw/zinc/27/13/77/1061271377.db2.gz NUZQKMZQVBQWRH-VWNXMTODSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871409 1061271398 /nfs/dbraw/zinc/27/13/98/1061271398.db2.gz NUZQKMZQVBQWRH-VWNXMTODSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871409 1061271418 /nfs/dbraw/zinc/27/14/18/1061271418.db2.gz NUZQKMZQVBQWRH-VWNXMTODSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286872943 1061282959 /nfs/dbraw/zinc/28/29/59/1061282959.db2.gz ZBEQSCABLBBEDM-ZPZUNKDASA-N 2 1 467.662 2.577 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886141 1061326994 /nfs/dbraw/zinc/32/69/94/1061326994.db2.gz AXONABBZLCUCNO-FUPPJEDESA-N 2 1 473.710 2.686 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886260 1061328166 /nfs/dbraw/zinc/32/81/66/1061328166.db2.gz BQJPBPQBCXUOEM-NRSPTQNISA-N 2 1 487.718 2.929 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@@H]2C)CC1 ZINC001286886683 1061331101 /nfs/dbraw/zinc/33/11/01/1061331101.db2.gz HMPKZOYXFIHSJU-RBBKRZOGSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286887573 1061337709 /nfs/dbraw/zinc/33/77/09/1061337709.db2.gz SPQDRXQOLUUEAZ-JTHBVZDNSA-N 2 1 459.683 2.656 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887571 1061337764 /nfs/dbraw/zinc/33/77/64/1061337764.db2.gz SPQDRXQOLUUEAZ-GGAORHGYSA-N 2 1 459.683 2.656 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289732453 1061342566 /nfs/dbraw/zinc/34/25/66/1061342566.db2.gz FOSAZOSVPIGDBD-QFIPXVFZSA-N 2 1 483.661 2.646 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289732453 1061342587 /nfs/dbraw/zinc/34/25/87/1061342587.db2.gz FOSAZOSVPIGDBD-QFIPXVFZSA-N 2 1 483.661 2.646 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289950537 1061643562 /nfs/dbraw/zinc/64/35/62/1061643562.db2.gz GYPUZUYUODCYPC-FGZHOGPDSA-N 2 1 455.651 2.783 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)n1 ZINC001289971670 1061676281 /nfs/dbraw/zinc/67/62/81/1061676281.db2.gz FONYFQSIFXVZBL-QHCPKHFHSA-N 2 1 455.651 2.926 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294217417 1061728658 /nfs/dbraw/zinc/72/86/58/1061728658.db2.gz HABHAYBUPLPLJU-OFVILXPXSA-N 2 1 497.688 2.674 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294217417 1061728681 /nfs/dbraw/zinc/72/86/81/1061728681.db2.gz HABHAYBUPLPLJU-OFVILXPXSA-N 2 1 497.688 2.674 20 0 JFADMP CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC001294297728 1061786167 /nfs/dbraw/zinc/78/61/67/1061786167.db2.gz BMNRVMUNDLOCAF-UHFFFAOYSA-N 2 1 453.624 2.888 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001294455427 1062002377 /nfs/dbraw/zinc/00/23/77/1062002377.db2.gz DMTMHIGIIQURCM-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001294455427 1062002402 /nfs/dbraw/zinc/00/24/02/1062002402.db2.gz DMTMHIGIIQURCM-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCSCC2)CC1 ZINC001287039289 1062005908 /nfs/dbraw/zinc/00/59/08/1062005908.db2.gz CGMNWZOPJPKVFE-UHFFFAOYSA-N 2 1 486.690 2.532 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294459980 1062007258 /nfs/dbraw/zinc/00/72/58/1062007258.db2.gz XJFQHHCVLGPBMP-FDDCHVKYSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294459980 1062007282 /nfs/dbraw/zinc/00/72/82/1062007282.db2.gz XJFQHHCVLGPBMP-FDDCHVKYSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294459980 1062007305 /nfs/dbraw/zinc/00/73/05/1062007305.db2.gz XJFQHHCVLGPBMP-FDDCHVKYSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294470427 1062024237 /nfs/dbraw/zinc/02/42/37/1062024237.db2.gz LMAUGMWPRHPHQQ-NTKDMRAZSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294470427 1062024253 /nfs/dbraw/zinc/02/42/53/1062024253.db2.gz LMAUGMWPRHPHQQ-NTKDMRAZSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294470427 1062024277 /nfs/dbraw/zinc/02/42/77/1062024277.db2.gz LMAUGMWPRHPHQQ-NTKDMRAZSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294470425 1062024320 /nfs/dbraw/zinc/02/43/20/1062024320.db2.gz LMAUGMWPRHPHQQ-CYFREDJKSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294470425 1062024334 /nfs/dbraw/zinc/02/43/34/1062024334.db2.gz LMAUGMWPRHPHQQ-CYFREDJKSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294470425 1062024356 /nfs/dbraw/zinc/02/43/56/1062024356.db2.gz LMAUGMWPRHPHQQ-CYFREDJKSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001294513691 1062048169 /nfs/dbraw/zinc/04/81/69/1062048169.db2.gz ICSMEROONIROFX-QFIPXVFZSA-N 2 1 454.667 2.677 20 0 JFADMP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001294638174 1062152894 /nfs/dbraw/zinc/15/28/94/1062152894.db2.gz OLHLMYMUUZLUAF-DEOSSOPVSA-N 2 1 475.726 2.755 20 0 JFADMP CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001294638968 1062153105 /nfs/dbraw/zinc/15/31/05/1062153105.db2.gz RNXLRTOOPCIGNB-LGVFNWMJSA-N 2 1 473.710 2.902 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294663163 1062216093 /nfs/dbraw/zinc/21/60/93/1062216093.db2.gz RZRSNOWKZTWYTB-SFTDATJTSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001294663163 1062216113 /nfs/dbraw/zinc/21/61/13/1062216113.db2.gz RZRSNOWKZTWYTB-SFTDATJTSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001294663163 1062216135 /nfs/dbraw/zinc/21/61/35/1062216135.db2.gz RZRSNOWKZTWYTB-SFTDATJTSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001294671443 1062230034 /nfs/dbraw/zinc/23/00/34/1062230034.db2.gz WRIBJXRXJRBKST-RBUKOAKNSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001294671443 1062230053 /nfs/dbraw/zinc/23/00/53/1062230053.db2.gz WRIBJXRXJRBKST-RBUKOAKNSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001294671443 1062230072 /nfs/dbraw/zinc/23/00/72/1062230072.db2.gz WRIBJXRXJRBKST-RBUKOAKNSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001294684214 1062244261 /nfs/dbraw/zinc/24/42/61/1062244261.db2.gz UDHBEPPLZUAIBA-FGZHOGPDSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001294694977 1062256204 /nfs/dbraw/zinc/25/62/04/1062256204.db2.gz XHRCRRUTUZWMPC-FGZHOGPDSA-N 2 1 459.683 2.947 20 0 JFADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001290517170 1062316860 /nfs/dbraw/zinc/31/68/60/1062316860.db2.gz AMFFJQQHTUDELK-JOCHJYFZSA-N 2 1 464.618 2.580 20 0 JFADMP Cc1[nH+]ccn1CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001290517170 1062316874 /nfs/dbraw/zinc/31/68/74/1062316874.db2.gz AMFFJQQHTUDELK-JOCHJYFZSA-N 2 1 464.618 2.580 20 0 JFADMP CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC001287157988 1062549174 /nfs/dbraw/zinc/54/91/74/1062549174.db2.gz BHXGEHBEYPNDRR-HSZRJFAPSA-N 2 1 476.710 2.772 20 0 JFADMP Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@@H]1[NH+](C)CCCC1(C)C ZINC001290877394 1062762354 /nfs/dbraw/zinc/76/23/54/1062762354.db2.gz VRZCGRCMHYJMKH-DEOSSOPVSA-N 2 1 453.679 2.961 20 0 JFADMP Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001290877394 1062762375 /nfs/dbraw/zinc/76/23/75/1062762375.db2.gz VRZCGRCMHYJMKH-DEOSSOPVSA-N 2 1 453.679 2.961 20 0 JFADMP Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001290877394 1062762397 /nfs/dbraw/zinc/76/23/97/1062762397.db2.gz VRZCGRCMHYJMKH-DEOSSOPVSA-N 2 1 453.679 2.961 20 0 JFADMP CC(C)C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328927 1062804190 /nfs/dbraw/zinc/80/41/90/1062804190.db2.gz OXPPBAKLGJIDKF-DNQXCXABSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328929 1062804292 /nfs/dbraw/zinc/80/42/92/1062804292.db2.gz OXPPBAKLGJIDKF-ZEQRLZLVSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287328926 1062804550 /nfs/dbraw/zinc/80/45/50/1062804550.db2.gz OXPPBAKLGJIDKF-BJKOFHAPSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001287335471 1062813237 /nfs/dbraw/zinc/81/32/37/1062813237.db2.gz VQYKDEXTUOTMIU-DNQXCXABSA-N 2 1 499.679 2.727 20 0 JFADMP CC(C)C[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001287335472 1062813341 /nfs/dbraw/zinc/81/33/41/1062813341.db2.gz VQYKDEXTUOTMIU-RPWUZVMVSA-N 2 1 499.679 2.727 20 0 JFADMP CC[N@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295127969 1062947865 /nfs/dbraw/zinc/94/78/65/1062947865.db2.gz XYAVSHBNXORDHB-OYRHEFFESA-N 2 1 478.645 2.781 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295127969 1062947890 /nfs/dbraw/zinc/94/78/90/1062947890.db2.gz XYAVSHBNXORDHB-OYRHEFFESA-N 2 1 478.645 2.781 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295127969 1062947915 /nfs/dbraw/zinc/94/79/15/1062947915.db2.gz XYAVSHBNXORDHB-OYRHEFFESA-N 2 1 478.645 2.781 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001295127969 1062947946 /nfs/dbraw/zinc/94/79/46/1062947946.db2.gz XYAVSHBNXORDHB-OYRHEFFESA-N 2 1 478.645 2.781 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748655 1063072659 /nfs/dbraw/zinc/07/26/59/1063072659.db2.gz AVUGXRKIGSBSDP-OZXSUGGESA-N 2 1 492.709 2.598 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106644 1063093856 /nfs/dbraw/zinc/09/38/56/1063093856.db2.gz YQVADIWGVGVZKJ-SJBKTWHCSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106644 1063093877 /nfs/dbraw/zinc/09/38/77/1063093877.db2.gz YQVADIWGVGVZKJ-SJBKTWHCSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106644 1063093901 /nfs/dbraw/zinc/09/39/01/1063093901.db2.gz YQVADIWGVGVZKJ-SJBKTWHCSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291126103 1063153127 /nfs/dbraw/zinc/15/31/27/1063153127.db2.gz GRGVZHJUVKOBSC-HXUWFJFHSA-N 2 1 454.623 2.578 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291126103 1063153141 /nfs/dbraw/zinc/15/31/41/1063153141.db2.gz GRGVZHJUVKOBSC-HXUWFJFHSA-N 2 1 454.623 2.578 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291126103 1063153155 /nfs/dbraw/zinc/15/31/55/1063153155.db2.gz GRGVZHJUVKOBSC-HXUWFJFHSA-N 2 1 454.623 2.578 20 0 JFADMP C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291141530 1063215647 /nfs/dbraw/zinc/21/56/47/1063215647.db2.gz PHGSPZNFLGNKFX-NRFANRHFSA-N 2 1 459.683 2.945 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295326921 1063219009 /nfs/dbraw/zinc/21/90/09/1063219009.db2.gz GNPAKYPFZWDMSR-XZOQPEGZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295326921 1063219032 /nfs/dbraw/zinc/21/90/32/1063219032.db2.gz GNPAKYPFZWDMSR-XZOQPEGZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295326921 1063219054 /nfs/dbraw/zinc/21/90/54/1063219054.db2.gz GNPAKYPFZWDMSR-XZOQPEGZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295326921 1063219077 /nfs/dbraw/zinc/21/90/77/1063219077.db2.gz GNPAKYPFZWDMSR-XZOQPEGZSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295327062 1063220117 /nfs/dbraw/zinc/22/01/17/1063220117.db2.gz MLJVAMODQGXACH-JOCHJYFZSA-N 2 1 496.704 2.761 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295327062 1063220129 /nfs/dbraw/zinc/22/01/29/1063220129.db2.gz MLJVAMODQGXACH-JOCHJYFZSA-N 2 1 496.704 2.761 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295327062 1063220150 /nfs/dbraw/zinc/22/01/50/1063220150.db2.gz MLJVAMODQGXACH-JOCHJYFZSA-N 2 1 496.704 2.761 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295327062 1063220162 /nfs/dbraw/zinc/22/01/62/1063220162.db2.gz MLJVAMODQGXACH-JOCHJYFZSA-N 2 1 496.704 2.761 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144715 1063226731 /nfs/dbraw/zinc/22/67/31/1063226731.db2.gz TVHCKHIOSPBOTO-JTHBVZDNSA-N 2 1 494.750 2.857 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144714 1063226882 /nfs/dbraw/zinc/22/68/82/1063226882.db2.gz TVHCKHIOSPBOTO-GMAHTHKFSA-N 2 1 494.750 2.857 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001295335044 1063248082 /nfs/dbraw/zinc/24/80/82/1063248082.db2.gz XAFDFKYQISYRAF-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001295335044 1063248103 /nfs/dbraw/zinc/24/81/03/1063248103.db2.gz XAFDFKYQISYRAF-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295335044 1063248126 /nfs/dbraw/zinc/24/81/26/1063248126.db2.gz XAFDFKYQISYRAF-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295335044 1063248148 /nfs/dbraw/zinc/24/81/48/1063248148.db2.gz XAFDFKYQISYRAF-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295360536 1063321369 /nfs/dbraw/zinc/32/13/69/1063321369.db2.gz FHFUGLDCEPWEFM-PXNSSMCTSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295360536 1063321387 /nfs/dbraw/zinc/32/13/87/1063321387.db2.gz FHFUGLDCEPWEFM-PXNSSMCTSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295363462 1063324204 /nfs/dbraw/zinc/32/42/04/1063324204.db2.gz AMSRTCPNBNCOMA-RTWAWAEBSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001295364740 1063327010 /nfs/dbraw/zinc/32/70/10/1063327010.db2.gz HHLQMJIUZHSXLE-WOJBJXKFSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295366163 1063329630 /nfs/dbraw/zinc/32/96/30/1063329630.db2.gz NFSMQCUMCIHMTN-RTBURBONSA-N 2 1 462.664 2.609 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001295367421 1063332364 /nfs/dbraw/zinc/33/23/64/1063332364.db2.gz SYZXSJFFFBNOJX-FQEVSTJZSA-N 2 1 471.650 2.711 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001295367421 1063332382 /nfs/dbraw/zinc/33/23/82/1063332382.db2.gz SYZXSJFFFBNOJX-FQEVSTJZSA-N 2 1 471.650 2.711 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001295378711 1063349205 /nfs/dbraw/zinc/34/92/05/1063349205.db2.gz JAYPHZVKWIFUDX-MZKRTTBSSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001295384085 1063358493 /nfs/dbraw/zinc/35/84/93/1063358493.db2.gz FIMHNBQWXHMPKI-FGZHOGPDSA-N 2 1 467.662 2.842 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001295384084 1063358601 /nfs/dbraw/zinc/35/86/01/1063358601.db2.gz FIMHNBQWXHMPKI-FCHUYYIVSA-N 2 1 467.662 2.842 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390305 1063369606 /nfs/dbraw/zinc/36/96/06/1063369606.db2.gz NICRYVIDMPGTLD-UFPGJGBJSA-N 2 1 492.709 2.739 20 0 JFADMP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291209863 1063386060 /nfs/dbraw/zinc/38/60/60/1063386060.db2.gz SHLDRGZQPQNZKK-UWVAXJGDSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295483842 1063509250 /nfs/dbraw/zinc/50/92/50/1063509250.db2.gz JDEMZRYKBDMMRX-UHFFFAOYSA-N 2 1 496.704 2.761 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295484688 1063511814 /nfs/dbraw/zinc/51/18/14/1063511814.db2.gz QJOCERSUBMJMNO-JOCHJYFZSA-N 2 1 489.709 2.632 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001295484689 1063512072 /nfs/dbraw/zinc/51/20/72/1063512072.db2.gz QJOCERSUBMJMNO-QFIPXVFZSA-N 2 1 489.709 2.632 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001295511521 1063546412 /nfs/dbraw/zinc/54/64/12/1063546412.db2.gz KQIGTQBFBFANDS-NRFANRHFSA-N 2 1 488.080 2.931 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001295523742 1063561280 /nfs/dbraw/zinc/56/12/80/1063561280.db2.gz YOHYKLUMDCFVJI-RTWAWAEBSA-N 2 1 459.683 2.689 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295527219 1063564621 /nfs/dbraw/zinc/56/46/21/1063564621.db2.gz GZIZKRITJRMKGR-IBGZPJMESA-N 2 1 463.026 2.860 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295527219 1063564633 /nfs/dbraw/zinc/56/46/33/1063564633.db2.gz GZIZKRITJRMKGR-IBGZPJMESA-N 2 1 463.026 2.860 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001295566449 1063601080 /nfs/dbraw/zinc/60/10/80/1063601080.db2.gz UNMQYVXYQIZYSG-KNQAVFIVSA-N 2 1 472.682 2.575 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001295825405 1063834822 /nfs/dbraw/zinc/83/48/22/1063834822.db2.gz XPNOKUWVJLPQQX-OAQYLSRUSA-N 2 1 456.635 2.843 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001295826884 1063835268 /nfs/dbraw/zinc/83/52/68/1063835268.db2.gz FBGUUHXACWJGMQ-UHFFFAOYSA-N 2 1 474.675 2.800 20 0 JFADMP CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001295845145 1063865513 /nfs/dbraw/zinc/86/55/13/1063865513.db2.gz JKPSBEUMKHELAR-SFHVURJKSA-N 2 1 458.573 2.978 20 0 JFADMP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001295845145 1063865519 /nfs/dbraw/zinc/86/55/19/1063865519.db2.gz JKPSBEUMKHELAR-SFHVURJKSA-N 2 1 458.573 2.978 20 0 JFADMP CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888184 /nfs/dbraw/zinc/88/81/84/1063888184.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 2 1 475.726 2.582 20 0 JFADMP CC[NH+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888201 /nfs/dbraw/zinc/88/82/01/1063888201.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 2 1 475.726 2.582 20 0 JFADMP CC[NH+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858429 1063888214 /nfs/dbraw/zinc/88/82/14/1063888214.db2.gz XTFIQSALLKFGOP-HSZRJFAPSA-N 2 1 475.726 2.582 20 0 JFADMP CC[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888390 /nfs/dbraw/zinc/88/83/90/1063888390.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 2 1 475.726 2.582 20 0 JFADMP CC[NH+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888404 /nfs/dbraw/zinc/88/84/04/1063888404.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 2 1 475.726 2.582 20 0 JFADMP CC[NH+](CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C1CC1 ZINC001295858430 1063888415 /nfs/dbraw/zinc/88/84/15/1063888415.db2.gz XTFIQSALLKFGOP-QHCPKHFHSA-N 2 1 475.726 2.582 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001295975242 1064018820 /nfs/dbraw/zinc/01/88/20/1064018820.db2.gz BHYDVERGVCEFJD-PMACEKPBSA-N 2 1 454.623 2.720 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001295976265 1064022058 /nfs/dbraw/zinc/02/20/58/1064022058.db2.gz HFBQOMJOAKEVTP-DXIQSLLYSA-N 2 1 471.625 2.875 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001295978634 1064026133 /nfs/dbraw/zinc/02/61/33/1064026133.db2.gz MXKOKQWMUSEGHX-HSALFYBXSA-N 2 1 456.639 2.821 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001295979648 1064028189 /nfs/dbraw/zinc/02/81/89/1064028189.db2.gz WVJJYVQECSSSMA-QRVBRYPASA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001295979648 1064028201 /nfs/dbraw/zinc/02/82/01/1064028201.db2.gz WVJJYVQECSSSMA-QRVBRYPASA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001295979648 1064028209 /nfs/dbraw/zinc/02/82/09/1064028209.db2.gz WVJJYVQECSSSMA-QRVBRYPASA-N 2 1 474.675 2.750 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001291471086 1064032863 /nfs/dbraw/zinc/03/28/63/1064032863.db2.gz YVLQUVHDBVEFBG-VCHRRKICSA-N 2 1 473.710 2.902 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291476473 1064034739 /nfs/dbraw/zinc/03/47/39/1064034739.db2.gz RULJKHZPKNHPQL-GJPOJAMWSA-N 2 1 450.697 2.776 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295982508 1064035563 /nfs/dbraw/zinc/03/55/63/1064035563.db2.gz UGFFEHVDZNRGCF-MDAIXWLXSA-N 2 1 450.672 2.968 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001295984096 1064040758 /nfs/dbraw/zinc/04/07/58/1064040758.db2.gz KXJUAFBWTIELQW-ZCNNSNEGSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001295984096 1064040761 /nfs/dbraw/zinc/04/07/61/1064040761.db2.gz KXJUAFBWTIELQW-ZCNNSNEGSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001295986254 1064042928 /nfs/dbraw/zinc/04/29/28/1064042928.db2.gz UXJSGCSMIHNOFQ-UXHICEINSA-N 2 1 451.619 2.990 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@H]1C ZINC001295986259 1064043013 /nfs/dbraw/zinc/04/30/13/1064043013.db2.gz UXJSGCSMIHNOFQ-WOJBJXKFSA-N 2 1 451.619 2.990 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001295998067 1064054623 /nfs/dbraw/zinc/05/46/23/1064054623.db2.gz SQJXVIAMZJREJX-GIWBLDEGSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001295998067 1064054632 /nfs/dbraw/zinc/05/46/32/1064054632.db2.gz SQJXVIAMZJREJX-GIWBLDEGSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001295998067 1064054641 /nfs/dbraw/zinc/05/46/41/1064054641.db2.gz SQJXVIAMZJREJX-GIWBLDEGSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058477 /nfs/dbraw/zinc/05/84/77/1064058477.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058489 /nfs/dbraw/zinc/05/84/89/1064058489.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058500 /nfs/dbraw/zinc/05/85/00/1064058500.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003317 1064058511 /nfs/dbraw/zinc/05/85/11/1064058511.db2.gz SUXYLFBYIHHJJC-NHCUHLMSSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058927 /nfs/dbraw/zinc/05/89/27/1064058927.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058934 /nfs/dbraw/zinc/05/89/34/1064058934.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058939 /nfs/dbraw/zinc/05/89/39/1064058939.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003321 1064058951 /nfs/dbraw/zinc/05/89/51/1064058951.db2.gz SUXYLFBYIHHJJC-SFTDATJTSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001296009529 1064064839 /nfs/dbraw/zinc/06/48/39/1064064839.db2.gz LCLMPWKPEAMNFG-DXIQSLLYSA-N 2 1 471.625 2.761 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001296010355 1064068476 /nfs/dbraw/zinc/06/84/76/1064068476.db2.gz BIOUQXKKSRWIGD-RTBURBONSA-N 2 1 462.639 2.964 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001296010353 1064068664 /nfs/dbraw/zinc/06/86/64/1064068664.db2.gz BIOUQXKKSRWIGD-RBUKOAKNSA-N 2 1 462.639 2.964 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001296011281 1064070723 /nfs/dbraw/zinc/07/07/23/1064070723.db2.gz UVDIKBFTZPTEDQ-URVUXULASA-N 2 1 459.683 2.830 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001296011470 1064071727 /nfs/dbraw/zinc/07/17/27/1064071727.db2.gz PNPQAZTWYBDXQL-VXKWHMMOSA-N 2 1 486.709 2.948 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074436 /nfs/dbraw/zinc/07/44/36/1064074436.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 2 1 492.709 2.809 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074447 /nfs/dbraw/zinc/07/44/47/1064074447.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 2 1 492.709 2.809 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013592 1064074455 /nfs/dbraw/zinc/07/44/55/1064074455.db2.gz OEBRMOIGSFVZGX-PCEJQYDGSA-N 2 1 492.709 2.809 20 0 JFADMP CC[NH+]1CCC(CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001296025179 1064085305 /nfs/dbraw/zinc/08/53/05/1064085305.db2.gz NQWWKPQSSKOMDU-QFIPXVFZSA-N 2 1 473.710 2.732 20 0 JFADMP CC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296036155 1064094928 /nfs/dbraw/zinc/09/49/28/1064094928.db2.gz GIBMBHJCYGGZJS-KRWDZBQOSA-N 2 1 494.482 2.925 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296036155 1064094936 /nfs/dbraw/zinc/09/49/36/1064094936.db2.gz GIBMBHJCYGGZJS-KRWDZBQOSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001296036155 1064094940 /nfs/dbraw/zinc/09/49/40/1064094940.db2.gz GIBMBHJCYGGZJS-KRWDZBQOSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001296036155 1064094950 /nfs/dbraw/zinc/09/49/50/1064094950.db2.gz GIBMBHJCYGGZJS-KRWDZBQOSA-N 2 1 494.482 2.925 20 0 JFADMP CC[N@@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296050828 1064110858 /nfs/dbraw/zinc/11/08/58/1064110858.db2.gz APYMGGPFUZJXHI-HXUWFJFHSA-N 2 1 474.625 2.885 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296050828 1064110861 /nfs/dbraw/zinc/11/08/61/1064110861.db2.gz APYMGGPFUZJXHI-HXUWFJFHSA-N 2 1 474.625 2.885 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001296050828 1064110863 /nfs/dbraw/zinc/11/08/63/1064110863.db2.gz APYMGGPFUZJXHI-HXUWFJFHSA-N 2 1 474.625 2.885 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001296050828 1064110867 /nfs/dbraw/zinc/11/08/67/1064110867.db2.gz APYMGGPFUZJXHI-HXUWFJFHSA-N 2 1 474.625 2.885 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001296052389 1064113834 /nfs/dbraw/zinc/11/38/34/1064113834.db2.gz RGXNLTNYDXUEPC-IBGZPJMESA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001296052389 1064113837 /nfs/dbraw/zinc/11/38/37/1064113837.db2.gz RGXNLTNYDXUEPC-IBGZPJMESA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001296052389 1064113841 /nfs/dbraw/zinc/11/38/41/1064113841.db2.gz RGXNLTNYDXUEPC-IBGZPJMESA-N 2 1 459.664 2.532 20 0 JFADMP CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296061828 1064127595 /nfs/dbraw/zinc/12/75/95/1064127595.db2.gz YDNQUPBPULFJAM-NRFANRHFSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296061828 1064127598 /nfs/dbraw/zinc/12/75/98/1064127598.db2.gz YDNQUPBPULFJAM-NRFANRHFSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001296061828 1064127602 /nfs/dbraw/zinc/12/76/02/1064127602.db2.gz YDNQUPBPULFJAM-NRFANRHFSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001296061828 1064127609 /nfs/dbraw/zinc/12/76/09/1064127609.db2.gz YDNQUPBPULFJAM-NRFANRHFSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067227 1064132511 /nfs/dbraw/zinc/13/25/11/1064132511.db2.gz IIVOIJNOKTXMIU-PMACEKPBSA-N 2 1 488.599 2.747 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@H](c3cccc(F)c3)[NH+](C)C)CC2)CC1 ZINC001296118960 1064202682 /nfs/dbraw/zinc/20/26/82/1064202682.db2.gz MJCXOKHXZJZSQJ-XMMPIXPASA-N 2 1 485.652 2.799 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001296130962 1064224615 /nfs/dbraw/zinc/22/46/15/1064224615.db2.gz GXYQPKXXIQGINZ-NHCUHLMSSA-N 2 1 457.642 2.564 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001291758912 1064238882 /nfs/dbraw/zinc/23/88/82/1064238882.db2.gz CJLDGQMPDMMEFL-VQTJNVASSA-N 2 1 454.623 2.720 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC001291760020 1064241339 /nfs/dbraw/zinc/24/13/39/1064241339.db2.gz MQNWIACXSMCPBR-IBGZPJMESA-N 2 1 490.722 2.807 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136449 1064241802 /nfs/dbraw/zinc/24/18/02/1064241802.db2.gz IHGMGRBPTHPZEN-GGAORHGYSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136449 1064241808 /nfs/dbraw/zinc/24/18/08/1064241808.db2.gz IHGMGRBPTHPZEN-GGAORHGYSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136449 1064241813 /nfs/dbraw/zinc/24/18/13/1064241813.db2.gz IHGMGRBPTHPZEN-GGAORHGYSA-N 2 1 467.662 2.511 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138823 1064245581 /nfs/dbraw/zinc/24/55/81/1064245581.db2.gz XQZZAQKIKGZGQF-SFTDATJTSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138823 1064245590 /nfs/dbraw/zinc/24/55/90/1064245590.db2.gz XQZZAQKIKGZGQF-SFTDATJTSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138823 1064245599 /nfs/dbraw/zinc/24/55/99/1064245599.db2.gz XQZZAQKIKGZGQF-SFTDATJTSA-N 2 1 453.635 2.565 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138822 1064245802 /nfs/dbraw/zinc/24/58/02/1064245802.db2.gz XQZZAQKIKGZGQF-RTWAWAEBSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138822 1064245807 /nfs/dbraw/zinc/24/58/07/1064245807.db2.gz XQZZAQKIKGZGQF-RTWAWAEBSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296138822 1064245812 /nfs/dbraw/zinc/24/58/12/1064245812.db2.gz XQZZAQKIKGZGQF-RTWAWAEBSA-N 2 1 453.635 2.565 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001291765651 1064246625 /nfs/dbraw/zinc/24/66/25/1064246625.db2.gz ORDUWBGICFNNQV-RBBKRZOGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001291765651 1064246635 /nfs/dbraw/zinc/24/66/35/1064246635.db2.gz ORDUWBGICFNNQV-RBBKRZOGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291765651 1064246642 /nfs/dbraw/zinc/24/66/42/1064246642.db2.gz ORDUWBGICFNNQV-RBBKRZOGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291765651 1064246659 /nfs/dbraw/zinc/24/66/59/1064246659.db2.gz ORDUWBGICFNNQV-RBBKRZOGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001291765652 1064246694 /nfs/dbraw/zinc/24/66/94/1064246694.db2.gz ORDUWBGICFNNQV-UNMCSNQZSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001291765652 1064246709 /nfs/dbraw/zinc/24/67/09/1064246709.db2.gz ORDUWBGICFNNQV-UNMCSNQZSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291765652 1064246720 /nfs/dbraw/zinc/24/67/20/1064246720.db2.gz ORDUWBGICFNNQV-UNMCSNQZSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291765652 1064246734 /nfs/dbraw/zinc/24/67/34/1064246734.db2.gz ORDUWBGICFNNQV-UNMCSNQZSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+](C)CCCOC)C[C@@H]1C ZINC001296143416 1064252606 /nfs/dbraw/zinc/25/26/06/1064252606.db2.gz QCDLFLRXAIJFIN-KRWDZBQOSA-N 2 1 482.471 2.545 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)CCCOC)C[C@@H]1C ZINC001296143416 1064252615 /nfs/dbraw/zinc/25/26/15/1064252615.db2.gz QCDLFLRXAIJFIN-KRWDZBQOSA-N 2 1 482.471 2.545 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)CCCOC)C[C@@H]1C ZINC001296143416 1064252624 /nfs/dbraw/zinc/25/26/24/1064252624.db2.gz QCDLFLRXAIJFIN-KRWDZBQOSA-N 2 1 482.471 2.545 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296145096 1064255391 /nfs/dbraw/zinc/25/53/91/1064255391.db2.gz LIRRBWCIKIVCRP-SFTDATJTSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296145096 1064255396 /nfs/dbraw/zinc/25/53/96/1064255396.db2.gz LIRRBWCIKIVCRP-SFTDATJTSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296145096 1064255406 /nfs/dbraw/zinc/25/54/06/1064255406.db2.gz LIRRBWCIKIVCRP-SFTDATJTSA-N 2 1 468.650 2.968 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001296145466 1064255671 /nfs/dbraw/zinc/25/56/71/1064255671.db2.gz YZRZQQZQLJVOEG-FBLLAGFSSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001296145466 1064255677 /nfs/dbraw/zinc/25/56/77/1064255677.db2.gz YZRZQQZQLJVOEG-FBLLAGFSSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001296145466 1064255685 /nfs/dbraw/zinc/25/56/85/1064255685.db2.gz YZRZQQZQLJVOEG-FBLLAGFSSA-N 2 1 462.683 2.970 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296148721 1064260698 /nfs/dbraw/zinc/26/06/98/1064260698.db2.gz ZUIWDRGCPDWHKZ-NFBKMPQASA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296148721 1064260703 /nfs/dbraw/zinc/26/07/03/1064260703.db2.gz ZUIWDRGCPDWHKZ-NFBKMPQASA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296148721 1064260708 /nfs/dbraw/zinc/26/07/08/1064260708.db2.gz ZUIWDRGCPDWHKZ-NFBKMPQASA-N 2 1 456.635 2.841 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnccc2OC)C[C@@H]1C ZINC001296149568 1064261247 /nfs/dbraw/zinc/26/12/47/1064261247.db2.gz JYTMCTRVNCFUSC-KRWDZBQOSA-N 2 1 452.559 2.945 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001296149018 1064261362 /nfs/dbraw/zinc/26/13/62/1064261362.db2.gz GFPSCBXAZMBVSL-SFHVURJKSA-N 2 1 460.648 2.542 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296154358 1064264549 /nfs/dbraw/zinc/26/45/49/1064264549.db2.gz LRERJYNECUQUTI-ROUUACIJSA-N 2 1 477.451 2.959 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296154358 1064264560 /nfs/dbraw/zinc/26/45/60/1064264560.db2.gz LRERJYNECUQUTI-ROUUACIJSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296154358 1064264564 /nfs/dbraw/zinc/26/45/64/1064264564.db2.gz LRERJYNECUQUTI-ROUUACIJSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296154358 1064264570 /nfs/dbraw/zinc/26/45/70/1064264570.db2.gz LRERJYNECUQUTI-ROUUACIJSA-N 2 1 477.451 2.959 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782473 1064271086 /nfs/dbraw/zinc/27/10/86/1064271086.db2.gz PGPILCHCQHTZMV-ISKFKSNPSA-N 2 1 468.694 2.599 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273687 /nfs/dbraw/zinc/27/36/87/1064273687.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 1 457.642 2.564 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273695 /nfs/dbraw/zinc/27/36/95/1064273695.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 1 457.642 2.564 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1C ZINC001296159313 1064273701 /nfs/dbraw/zinc/27/37/01/1064273701.db2.gz ABPSIAYUGCVGTA-FQEVSTJZSA-N 2 1 457.642 2.564 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@@H]2C1 ZINC001291783416 1064276459 /nfs/dbraw/zinc/27/64/59/1064276459.db2.gz LHQSFXNWECAYAK-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001291783416 1064276474 /nfs/dbraw/zinc/27/64/74/1064276474.db2.gz LHQSFXNWECAYAK-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001291783416 1064276482 /nfs/dbraw/zinc/27/64/82/1064276482.db2.gz LHQSFXNWECAYAK-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162834 1064276804 /nfs/dbraw/zinc/27/68/04/1064276804.db2.gz PYOALTVJKCWYSO-ACRUOGEOSA-N 2 1 455.651 2.682 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296173925 1064299372 /nfs/dbraw/zinc/29/93/72/1064299372.db2.gz MUZKQWVHNPWQQP-OFNKIYASSA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296173925 1064299381 /nfs/dbraw/zinc/29/93/81/1064299381.db2.gz MUZKQWVHNPWQQP-OFNKIYASSA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001296174709 1064301794 /nfs/dbraw/zinc/30/17/94/1064301794.db2.gz SEEGRBCUUTZPTC-OIBXWCBGSA-N 2 1 456.635 2.642 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCCO4)n3CCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296182226 1064321976 /nfs/dbraw/zinc/32/19/76/1064321976.db2.gz PLFZZSQXOPTBRE-XZOQPEGZSA-N 2 1 461.699 2.855 20 0 JFADMP CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183295 1064327517 /nfs/dbraw/zinc/32/75/17/1064327517.db2.gz CUYOKXBHFSBCJP-SDHSZQHLSA-N 2 1 488.769 2.670 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183295 1064327531 /nfs/dbraw/zinc/32/75/31/1064327531.db2.gz CUYOKXBHFSBCJP-SDHSZQHLSA-N 2 1 488.769 2.670 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183295 1064327552 /nfs/dbraw/zinc/32/75/52/1064327552.db2.gz CUYOKXBHFSBCJP-SDHSZQHLSA-N 2 1 488.769 2.670 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192499 1064346105 /nfs/dbraw/zinc/34/61/05/1064346105.db2.gz MLGZQDSFIQNMBM-YADHBBJMSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296193723 1064352560 /nfs/dbraw/zinc/35/25/60/1064352560.db2.gz PPKHTULIPOEQKM-FQEVSTJZSA-N 2 1 488.750 2.828 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001296204747 1064387027 /nfs/dbraw/zinc/38/70/27/1064387027.db2.gz WBYIHWXEFOTYJQ-UHFFFAOYSA-N 2 1 489.753 2.833 20 0 JFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 ZINC001291919627 1064541230 /nfs/dbraw/zinc/54/12/30/1064541230.db2.gz MDFXDHJAGTYENV-INIZCTEOSA-N 2 1 455.563 2.533 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291975537 1064590435 /nfs/dbraw/zinc/59/04/35/1064590435.db2.gz VEKPWILCGRBQFI-RTWAWAEBSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291975537 1064590441 /nfs/dbraw/zinc/59/04/41/1064590441.db2.gz VEKPWILCGRBQFI-RTWAWAEBSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292019383 1064657779 /nfs/dbraw/zinc/65/77/79/1064657779.db2.gz FBMFXSIGZJSBPQ-FHWLQOOXSA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292019383 1064657784 /nfs/dbraw/zinc/65/77/84/1064657784.db2.gz FBMFXSIGZJSBPQ-FHWLQOOXSA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029702 1064683132 /nfs/dbraw/zinc/68/31/32/1064683132.db2.gz DYEZXTWAUPYFRM-WIYYLYMNSA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029702 1064683141 /nfs/dbraw/zinc/68/31/41/1064683141.db2.gz DYEZXTWAUPYFRM-WIYYLYMNSA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001292060675 1064729891 /nfs/dbraw/zinc/72/98/91/1064729891.db2.gz GKWYWGBWBXYTTF-IBGZPJMESA-N 2 1 470.666 2.966 20 0 JFADMP CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292520903 1065246837 /nfs/dbraw/zinc/24/68/37/1065246837.db2.gz XIVYDUACSKBNQP-QFIPXVFZSA-N 2 1 484.689 2.900 20 0 JFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001292583128 1065298921 /nfs/dbraw/zinc/29/89/21/1065298921.db2.gz YYXBLTXHVRZXRM-HXUWFJFHSA-N 2 1 451.619 2.701 20 0 JFADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893141 1065592581 /nfs/dbraw/zinc/59/25/81/1065592581.db2.gz LHSSXWWGVIHIAJ-DHLKQENFSA-N 2 1 487.737 2.978 20 0 JFADMP CCc1nnc(N2CCC(CCC[NH+]3CCOCC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292952521 1065632798 /nfs/dbraw/zinc/63/27/98/1065632798.db2.gz HYFJSKYCEFTISV-QFIPXVFZSA-N 2 1 462.683 2.670 20 0 JFADMP CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293123924 1065776802 /nfs/dbraw/zinc/77/68/02/1065776802.db2.gz OBHKCJSGQZPFCT-UHFFFAOYSA-N 2 1 480.661 2.502 20 0 JFADMP CC[C@@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001293530367 1066049367 /nfs/dbraw/zinc/04/93/67/1066049367.db2.gz OUSVLYHYCNLWJA-FYYLOGMGSA-N 2 1 456.635 2.979 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[NH+]2CC)CC[N@H+]1CCOC ZINC001293538956 1066057013 /nfs/dbraw/zinc/05/70/13/1066057013.db2.gz HLGMUFDOJWHDFD-YADHBBJMSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001293538956 1066057023 /nfs/dbraw/zinc/05/70/23/1066057023.db2.gz HLGMUFDOJWHDFD-YADHBBJMSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CC[NH+]1CCOC ZINC001293538956 1066057034 /nfs/dbraw/zinc/05/70/34/1066057034.db2.gz HLGMUFDOJWHDFD-YADHBBJMSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293556358 1066070785 /nfs/dbraw/zinc/07/07/85/1066070785.db2.gz HYPOEPQHRZTHLP-QFIPXVFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293556358 1066070790 /nfs/dbraw/zinc/07/07/90/1066070790.db2.gz HYPOEPQHRZTHLP-QFIPXVFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293556358 1066070802 /nfs/dbraw/zinc/07/08/02/1066070802.db2.gz HYPOEPQHRZTHLP-QFIPXVFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293556358 1066070814 /nfs/dbraw/zinc/07/08/14/1066070814.db2.gz HYPOEPQHRZTHLP-QFIPXVFZSA-N 2 1 486.661 2.612 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001293566138 1066078638 /nfs/dbraw/zinc/07/86/38/1066078638.db2.gz CPYFDJMSAWOMBL-NHCUHLMSSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001293566138 1066078652 /nfs/dbraw/zinc/07/86/52/1066078652.db2.gz CPYFDJMSAWOMBL-NHCUHLMSSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001293566138 1066078665 /nfs/dbraw/zinc/07/86/65/1066078665.db2.gz CPYFDJMSAWOMBL-NHCUHLMSSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001293566139 1066078751 /nfs/dbraw/zinc/07/87/51/1066078751.db2.gz CPYFDJMSAWOMBL-RTWAWAEBSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001293566139 1066078761 /nfs/dbraw/zinc/07/87/61/1066078761.db2.gz CPYFDJMSAWOMBL-RTWAWAEBSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001293566139 1066078768 /nfs/dbraw/zinc/07/87/68/1066078768.db2.gz CPYFDJMSAWOMBL-RTWAWAEBSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001293566755 1066080182 /nfs/dbraw/zinc/08/01/82/1066080182.db2.gz WNDRZKRAABQMNT-HXUWFJFHSA-N 2 1 474.625 2.742 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001293569138 1066081596 /nfs/dbraw/zinc/08/15/96/1066081596.db2.gz UPSBIAIPHKKATH-FQEVSTJZSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293603346 1066120039 /nfs/dbraw/zinc/12/00/39/1066120039.db2.gz XKUBKLUIUJBUKL-SFTDATJTSA-N 2 1 464.724 2.851 20 0 JFADMP CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293627914 1066142102 /nfs/dbraw/zinc/14/21/02/1066142102.db2.gz PMTJWJOBYJRCKG-KIFXHHALSA-N 2 1 470.662 2.569 20 0 JFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCCO[C@]5(C[NH2+]CCOC5)C3)n2)CCC4)CC1 ZINC001164426174 718916041 /nfs/dbraw/zinc/91/60/41/718916041.db2.gz XTKHUNPUMFIKIT-RUZDIDTESA-N 2 1 471.671 2.997 20 0 JFADMP CC(C)N(c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1)c1ncnc2c1CC[NH2+]CC2 ZINC001164663214 719344682 /nfs/dbraw/zinc/34/46/82/719344682.db2.gz WVOYUBISJOLNHT-IBGZPJMESA-N 2 1 495.672 2.905 20 0 JFADMP CC(C)N(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)c1ncnc2c1CC[NH2+]CC2 ZINC001164663214 719344683 /nfs/dbraw/zinc/34/46/83/719344683.db2.gz WVOYUBISJOLNHT-IBGZPJMESA-N 2 1 495.672 2.905 20 0 JFADMP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)cc[nH+]1 ZINC001164665356 719357257 /nfs/dbraw/zinc/35/72/57/719357257.db2.gz VBYHLTWNCYMHFW-SANMLTNESA-N 2 1 481.645 2.536 20 0 JFADMP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)cc[nH+]1 ZINC001164665431 719357700 /nfs/dbraw/zinc/35/77/00/719357700.db2.gz XCIDWJJWNXDXHP-VWLOTQADSA-N 2 1 451.619 2.657 20 0 JFADMP Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164683916 719608627 /nfs/dbraw/zinc/60/86/27/719608627.db2.gz LICZXOBLSIWAQF-UHFFFAOYSA-N 2 1 479.610 2.648 20 0 JFADMP Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)cc1 ZINC001164683916 719608638 /nfs/dbraw/zinc/60/86/38/719608638.db2.gz LICZXOBLSIWAQF-UHFFFAOYSA-N 2 1 479.610 2.648 20 0 JFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c2c1CC[NH2+]C2 ZINC001164680613 719642915 /nfs/dbraw/zinc/64/29/15/719642915.db2.gz YKBIDCBVGSWCER-UHFFFAOYSA-N 2 1 464.593 2.614 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCN(c4ccccc4F)CC3)ncn2)c2c1CC[NH2+]C2 ZINC001164680613 719642929 /nfs/dbraw/zinc/64/29/29/719642929.db2.gz YKBIDCBVGSWCER-UHFFFAOYSA-N 2 1 464.593 2.614 20 0 JFADMP CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(C3=CC[NH2+]CC3)c1)CC2 ZINC001164690759 719758201 /nfs/dbraw/zinc/75/82/01/719758201.db2.gz HWALRVSJASPWOF-UHFFFAOYSA-N 2 1 453.965 2.837 20 0 JFADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718280 720204058 /nfs/dbraw/zinc/20/40/58/720204058.db2.gz ZGFBWRDJOWHTBI-JTHBVZDNSA-N 2 1 453.635 2.973 20 0 JFADMP COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@@H]2C1 ZINC001164857747 720892370 /nfs/dbraw/zinc/89/23/70/720892370.db2.gz JLIMTEIJESHXRZ-YLJYHZDGSA-N 2 1 456.965 2.830 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755408 720895117 /nfs/dbraw/zinc/89/51/17/720895117.db2.gz LXIDHIMVEDTMQT-FQRUVTKNSA-N 2 1 476.581 2.895 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12 ZINC001164755408 720895119 /nfs/dbraw/zinc/89/51/19/720895119.db2.gz LXIDHIMVEDTMQT-FQRUVTKNSA-N 2 1 476.581 2.895 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755407 720895223 /nfs/dbraw/zinc/89/52/23/720895223.db2.gz LXIDHIMVEDTMQT-FNZWTVRRSA-N 2 1 476.581 2.895 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12 ZINC001164755407 720895225 /nfs/dbraw/zinc/89/52/25/720895225.db2.gz LXIDHIMVEDTMQT-FNZWTVRRSA-N 2 1 476.581 2.895 20 0 JFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164784389 721361956 /nfs/dbraw/zinc/36/19/56/721361956.db2.gz RNKYHXUVQGZDJQ-RUZDIDTESA-N 3 1 454.619 2.733 20 0 JFADMP Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164784389 721361960 /nfs/dbraw/zinc/36/19/60/721361960.db2.gz RNKYHXUVQGZDJQ-RUZDIDTESA-N 2 1 454.619 2.733 20 0 JFADMP CCc1cc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164785722 721462880 /nfs/dbraw/zinc/46/28/80/721462880.db2.gz NAFVINHHDAEVCM-QHCPKHFHSA-N 2 1 473.662 2.610 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)C2)cc1 ZINC001164792652 721483936 /nfs/dbraw/zinc/48/39/36/721483936.db2.gz OETNCVBTXWSCTN-FJIJXJHWSA-N 2 1 457.582 2.588 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)C2)cc1 ZINC001164792652 721483938 /nfs/dbraw/zinc/48/39/38/721483938.db2.gz OETNCVBTXWSCTN-FJIJXJHWSA-N 2 1 457.582 2.588 20 0 JFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(I)c(F)cc2F)CC1 ZINC001264759143 1059665965 /nfs/dbraw/zinc/66/59/65/1059665965.db2.gz NBSCITBEVONSLO-UHFFFAOYSA-N 2 1 458.250 2.969 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286871177 1061271256 /nfs/dbraw/zinc/27/12/56/1061271256.db2.gz MQDMVGAKDHAEKA-YMPZKCBVSA-N 2 1 475.726 2.931 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886145 1061327816 /nfs/dbraw/zinc/32/78/16/1061327816.db2.gz AXONABBZLCUCNO-QNWVGRARSA-N 2 1 473.710 2.686 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3C[C@@H](C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286888396 1061340674 /nfs/dbraw/zinc/34/06/74/1061340674.db2.gz YJIKUHSAZLYIIL-JBYIUTFZSA-N 2 1 474.053 2.537 20 0 JFADMP CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001286891512 1061361109 /nfs/dbraw/zinc/36/11/09/1061361109.db2.gz ZOTWFEYZSYCXKZ-UHFFFAOYSA-N 2 1 474.053 2.683 20 0 JFADMP CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001286891512 1061361127 /nfs/dbraw/zinc/36/11/27/1061361127.db2.gz ZOTWFEYZSYCXKZ-UHFFFAOYSA-N 2 1 474.053 2.683 20 0 JFADMP Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@]2(O)CC[NH+](C)C2)cc1 ZINC001289798815 1061432606 /nfs/dbraw/zinc/43/26/06/1061432606.db2.gz AEZONRARJBFRNZ-SANMLTNESA-N 2 1 470.662 2.789 20 0 JFADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC001289798815 1061432611 /nfs/dbraw/zinc/43/26/11/1061432611.db2.gz AEZONRARJBFRNZ-SANMLTNESA-N 2 1 470.662 2.789 20 0 JFADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001289798815 1061432616 /nfs/dbraw/zinc/43/26/16/1061432616.db2.gz AEZONRARJBFRNZ-SANMLTNESA-N 2 1 470.662 2.789 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCOC[C@@H]2C)n1 ZINC001289950545 1061644882 /nfs/dbraw/zinc/64/48/82/1061644882.db2.gz HLZTTWUVFOUOLX-NRFANRHFSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCOC[C@@H]2C)n1 ZINC001289950545 1061644889 /nfs/dbraw/zinc/64/48/89/1061644889.db2.gz HLZTTWUVFOUOLX-NRFANRHFSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)n1 ZINC001289950545 1061644898 /nfs/dbraw/zinc/64/48/98/1061644898.db2.gz HLZTTWUVFOUOLX-NRFANRHFSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@H+]2CCOC[C@@H]2C)n1 ZINC001289950545 1061644903 /nfs/dbraw/zinc/64/49/03/1061644903.db2.gz HLZTTWUVFOUOLX-NRFANRHFSA-N 2 1 455.651 2.926 20 0 JFADMP CCCC[N@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001294208465 1061710904 /nfs/dbraw/zinc/71/09/04/1061710904.db2.gz DSCPVRMFAWYMQM-JOCHJYFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001294208465 1061710926 /nfs/dbraw/zinc/71/09/26/1061710926.db2.gz DSCPVRMFAWYMQM-JOCHJYFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[NH+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294208465 1061710946 /nfs/dbraw/zinc/71/09/46/1061710946.db2.gz DSCPVRMFAWYMQM-JOCHJYFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[NH+](C)CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294208465 1061710968 /nfs/dbraw/zinc/71/09/68/1061710968.db2.gz DSCPVRMFAWYMQM-JOCHJYFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294217418 1061728957 /nfs/dbraw/zinc/72/89/57/1061728957.db2.gz HABHAYBUPLPLJU-PXDATVDWSA-N 2 1 497.688 2.674 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294217418 1061728984 /nfs/dbraw/zinc/72/89/84/1061728984.db2.gz HABHAYBUPLPLJU-PXDATVDWSA-N 2 1 497.688 2.674 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001294221736 1061732102 /nfs/dbraw/zinc/73/21/02/1061732102.db2.gz VJGWYJWJNWWNDY-UHFFFAOYSA-N 2 1 451.623 2.518 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001294221736 1061732115 /nfs/dbraw/zinc/73/21/15/1061732115.db2.gz VJGWYJWJNWWNDY-UHFFFAOYSA-N 2 1 451.623 2.518 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001294221736 1061732135 /nfs/dbraw/zinc/73/21/35/1061732135.db2.gz VJGWYJWJNWWNDY-UHFFFAOYSA-N 2 1 451.623 2.518 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001294224148 1061734277 /nfs/dbraw/zinc/73/42/77/1061734277.db2.gz OQYBFFVNFBZGSN-UHFFFAOYSA-N 2 1 480.661 2.937 20 0 JFADMP CC(C)(C)Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001287032187 1061986369 /nfs/dbraw/zinc/98/63/69/1061986369.db2.gz JRBPDAGPOUXOOB-UHFFFAOYSA-N 2 1 473.710 2.733 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001287041379 1062009411 /nfs/dbraw/zinc/00/94/11/1062009411.db2.gz JOCZFMYXCVRXLD-NRFANRHFSA-N 2 1 462.683 2.841 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001287041379 1062009437 /nfs/dbraw/zinc/00/94/37/1062009437.db2.gz JOCZFMYXCVRXLD-NRFANRHFSA-N 2 1 462.683 2.841 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294515147 1062051066 /nfs/dbraw/zinc/05/10/66/1062051066.db2.gz DOSMVRULIFNYGM-UHFFFAOYSA-N 2 1 490.722 2.891 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294515147 1062051092 /nfs/dbraw/zinc/05/10/92/1062051092.db2.gz DOSMVRULIFNYGM-UHFFFAOYSA-N 2 1 490.722 2.891 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294515147 1062051115 /nfs/dbraw/zinc/05/11/15/1062051115.db2.gz DOSMVRULIFNYGM-UHFFFAOYSA-N 2 1 490.722 2.891 20 0 JFADMP CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294528566 1062064943 /nfs/dbraw/zinc/06/49/43/1062064943.db2.gz SRDMVWZXJVYLNR-UHFFFAOYSA-N 2 1 461.680 2.667 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001294529909 1062066153 /nfs/dbraw/zinc/06/61/53/1062066153.db2.gz RGDVWOVBELZNNV-HSZRJFAPSA-N 2 1 461.699 2.856 20 0 JFADMP CCC[N@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001294529909 1062066170 /nfs/dbraw/zinc/06/61/70/1062066170.db2.gz RGDVWOVBELZNNV-HSZRJFAPSA-N 2 1 461.699 2.856 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001294529909 1062066193 /nfs/dbraw/zinc/06/61/93/1062066193.db2.gz RGDVWOVBELZNNV-HSZRJFAPSA-N 2 1 461.699 2.856 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001290400245 1062102081 /nfs/dbraw/zinc/10/20/81/1062102081.db2.gz CSQUOSSFSYILLC-QRVBRYPASA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290400245 1062102100 /nfs/dbraw/zinc/10/21/00/1062102100.db2.gz CSQUOSSFSYILLC-QRVBRYPASA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cs1 ZINC001290400245 1062102114 /nfs/dbraw/zinc/10/21/14/1062102114.db2.gz CSQUOSSFSYILLC-QRVBRYPASA-N 2 1 461.680 2.664 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCC[C@H]2C)cs1 ZINC001290400245 1062102128 /nfs/dbraw/zinc/10/21/28/1062102128.db2.gz CSQUOSSFSYILLC-QRVBRYPASA-N 2 1 461.680 2.664 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294645705 1062174115 /nfs/dbraw/zinc/17/41/15/1062174115.db2.gz FJJUFSIAGVYRLE-MOPGFXCFSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001294645705 1062174124 /nfs/dbraw/zinc/17/41/24/1062174124.db2.gz FJJUFSIAGVYRLE-MOPGFXCFSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001294645705 1062174131 /nfs/dbraw/zinc/17/41/31/1062174131.db2.gz FJJUFSIAGVYRLE-MOPGFXCFSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294645708 1062174181 /nfs/dbraw/zinc/17/41/81/1062174181.db2.gz FJJUFSIAGVYRLE-RTBURBONSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001294645708 1062174189 /nfs/dbraw/zinc/17/41/89/1062174189.db2.gz FJJUFSIAGVYRLE-RTBURBONSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001294645708 1062174193 /nfs/dbraw/zinc/17/41/93/1062174193.db2.gz FJJUFSIAGVYRLE-RTBURBONSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294645706 1062174215 /nfs/dbraw/zinc/17/42/15/1062174215.db2.gz FJJUFSIAGVYRLE-OALUTQOASA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001294645706 1062174221 /nfs/dbraw/zinc/17/42/21/1062174221.db2.gz FJJUFSIAGVYRLE-OALUTQOASA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001294645706 1062174230 /nfs/dbraw/zinc/17/42/30/1062174230.db2.gz FJJUFSIAGVYRLE-OALUTQOASA-N 2 1 462.042 2.882 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cs1 ZINC001290428128 1062179689 /nfs/dbraw/zinc/17/96/89/1062179689.db2.gz DWCHMSOPJGCABC-LJQANCHMSA-N 2 1 461.680 2.523 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H](C)C[NH+]2CCOCC2)cs1 ZINC001290428128 1062179705 /nfs/dbraw/zinc/17/97/05/1062179705.db2.gz DWCHMSOPJGCABC-LJQANCHMSA-N 2 1 461.680 2.523 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294648759 1062189149 /nfs/dbraw/zinc/18/91/49/1062189149.db2.gz TZJZOFJMFLHJNZ-HSZRJFAPSA-N 2 1 481.689 2.976 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294663160 1062215707 /nfs/dbraw/zinc/21/57/07/1062215707.db2.gz RZRSNOWKZTWYTB-LEWJYISDSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001294663160 1062215728 /nfs/dbraw/zinc/21/57/28/1062215728.db2.gz RZRSNOWKZTWYTB-LEWJYISDSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001294663160 1062215745 /nfs/dbraw/zinc/21/57/45/1062215745.db2.gz RZRSNOWKZTWYTB-LEWJYISDSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668797 1062224104 /nfs/dbraw/zinc/22/41/04/1062224104.db2.gz DCFUFGRIHIVYRT-DHLKQENFSA-N 2 1 462.683 2.829 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669302 1062225522 /nfs/dbraw/zinc/22/55/22/1062225522.db2.gz HHVIUWBLQRTRKQ-RCZVLFRGSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669302 1062225543 /nfs/dbraw/zinc/22/55/43/1062225543.db2.gz HHVIUWBLQRTRKQ-RCZVLFRGSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669302 1062225569 /nfs/dbraw/zinc/22/55/69/1062225569.db2.gz HHVIUWBLQRTRKQ-RCZVLFRGSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001294679045 1062238804 /nfs/dbraw/zinc/23/88/04/1062238804.db2.gz VMXKULUGFGGTHM-UHFFFAOYSA-N 2 1 486.686 2.921 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001294679045 1062238827 /nfs/dbraw/zinc/23/88/27/1062238827.db2.gz VMXKULUGFGGTHM-UHFFFAOYSA-N 2 1 486.686 2.921 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294685916 1062246280 /nfs/dbraw/zinc/24/62/80/1062246280.db2.gz KTSJVUYAJIWCIV-RUZDIDTESA-N 2 1 456.635 2.543 20 0 JFADMP Cc1[nH+]ccn1CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N(C)CC(F)(F)F ZINC001290528402 1062328788 /nfs/dbraw/zinc/32/87/88/1062328788.db2.gz GACMVTZHUDUWQQ-UHFFFAOYSA-N 2 1 476.551 2.846 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001290562173 1062363006 /nfs/dbraw/zinc/36/30/06/1062363006.db2.gz CTFMVNWMLNYJFR-HSZRJFAPSA-N 2 1 472.682 2.923 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001290562173 1062363027 /nfs/dbraw/zinc/36/30/27/1062363027.db2.gz CTFMVNWMLNYJFR-HSZRJFAPSA-N 2 1 472.682 2.923 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001290562254 1062363446 /nfs/dbraw/zinc/36/34/46/1062363446.db2.gz CYTUBKACHAILCH-FQEVSTJZSA-N 2 1 480.661 2.522 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@]2([NH+](C)C)CCSC2)n1 ZINC001290638706 1062521873 /nfs/dbraw/zinc/52/18/73/1062521873.db2.gz BCJIZJRFCMPCCN-XMMPIXPASA-N 2 1 474.723 2.888 20 0 JFADMP Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001290736894 1062657675 /nfs/dbraw/zinc/65/76/75/1062657675.db2.gz GQTUKJXRKYMBLK-SZPZYZBQSA-N 2 1 469.678 2.733 20 0 JFADMP Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+](C)Cc1ccccc1 ZINC001290737033 1062658929 /nfs/dbraw/zinc/65/89/29/1062658929.db2.gz CEJRXGNOKRIUEP-LADGPHEKSA-N 2 1 450.635 2.971 20 0 JFADMP Cc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CC[N@H+](C)Cc1ccccc1 ZINC001290737033 1062658941 /nfs/dbraw/zinc/65/89/41/1062658941.db2.gz CEJRXGNOKRIUEP-LADGPHEKSA-N 2 1 450.635 2.971 20 0 JFADMP Cc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001290737033 1062658955 /nfs/dbraw/zinc/65/89/55/1062658955.db2.gz CEJRXGNOKRIUEP-LADGPHEKSA-N 2 1 450.635 2.971 20 0 JFADMP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287213850 1062674068 /nfs/dbraw/zinc/67/40/68/1062674068.db2.gz FWSGCICQDSUMHS-VQTJNVASSA-N 2 1 459.664 2.509 20 0 JFADMP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001290768755 1062684118 /nfs/dbraw/zinc/68/41/18/1062684118.db2.gz FXFGLHCOCYKJFX-HSZRJFAPSA-N 2 1 473.710 2.773 20 0 JFADMP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001290768759 1062684158 /nfs/dbraw/zinc/68/41/58/1062684158.db2.gz FXFGLHCOCYKJFX-QHCPKHFHSA-N 2 1 473.710 2.773 20 0 JFADMP CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001287334837 1062812553 /nfs/dbraw/zinc/81/25/53/1062812553.db2.gz SGLUEJWTFKMYOZ-WIOPSUGQSA-N 2 1 455.651 2.541 20 0 JFADMP CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001287334832 1062812884 /nfs/dbraw/zinc/81/28/84/1062812884.db2.gz SGLUEJWTFKMYOZ-RCZVLFRGSA-N 2 1 455.651 2.541 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001287374983 1062833106 /nfs/dbraw/zinc/83/31/06/1062833106.db2.gz RMMDJJQQDQUAQZ-UHFFFAOYSA-N 2 1 496.748 2.761 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001287375103 1062833379 /nfs/dbraw/zinc/83/33/79/1062833379.db2.gz VZWYVKMSOROSQU-NRFANRHFSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001287375103 1062833399 /nfs/dbraw/zinc/83/33/99/1062833399.db2.gz VZWYVKMSOROSQU-NRFANRHFSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001287375103 1062833410 /nfs/dbraw/zinc/83/34/10/1062833410.db2.gz VZWYVKMSOROSQU-NRFANRHFSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001287375103 1062833431 /nfs/dbraw/zinc/83/34/31/1062833431.db2.gz VZWYVKMSOROSQU-NRFANRHFSA-N 2 1 450.672 2.525 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001287457219 1062895870 /nfs/dbraw/zinc/89/58/70/1062895870.db2.gz SILJDGVYSTXVTN-OAQYLSRUSA-N 2 1 454.623 2.818 20 0 JFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009532 1062906988 /nfs/dbraw/zinc/90/69/88/1062906988.db2.gz HORFCWYEJJGFNV-ODAXIHTASA-N 2 1 486.709 2.982 20 0 JFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCn2c(-c3cnn(C)c3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001291009532 1062907007 /nfs/dbraw/zinc/90/70/07/1062907007.db2.gz HORFCWYEJJGFNV-ODAXIHTASA-N 2 1 486.709 2.982 20 0 JFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291015042 1062925418 /nfs/dbraw/zinc/92/54/18/1062925418.db2.gz LXNYCOQFCKKGKE-SZPZYZBQSA-N 2 1 473.710 2.688 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)[C@H](C)C2)c1 ZINC001295126354 1062941054 /nfs/dbraw/zinc/94/10/54/1062941054.db2.gz FVKCLFVDIPPHDF-OAQYLSRUSA-N 2 1 463.630 2.997 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)c1 ZINC001295126354 1062941082 /nfs/dbraw/zinc/94/10/82/1062941082.db2.gz FVKCLFVDIPPHDF-OAQYLSRUSA-N 2 1 463.630 2.997 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)c1 ZINC001295126354 1062941109 /nfs/dbraw/zinc/94/11/09/1062941109.db2.gz FVKCLFVDIPPHDF-OAQYLSRUSA-N 2 1 463.630 2.997 20 0 JFADMP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102264 1063076207 /nfs/dbraw/zinc/07/62/07/1063076207.db2.gz JYIVCZLBXFJBKR-LEWJYISDSA-N 2 1 489.709 2.534 20 0 JFADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102264 1063076230 /nfs/dbraw/zinc/07/62/30/1063076230.db2.gz JYIVCZLBXFJBKR-LEWJYISDSA-N 2 1 489.709 2.534 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103257 1063079880 /nfs/dbraw/zinc/07/98/80/1063079880.db2.gz ASHAJUGLQRVSIT-NHCUHLMSSA-N 2 1 459.683 2.991 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC001291107075 1063095881 /nfs/dbraw/zinc/09/58/81/1063095881.db2.gz FVQJZAJMLDRFGO-FGZHOGPDSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC001291107075 1063095924 /nfs/dbraw/zinc/09/59/24/1063095924.db2.gz FVQJZAJMLDRFGO-FGZHOGPDSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107075 1063095950 /nfs/dbraw/zinc/09/59/50/1063095950.db2.gz FVQJZAJMLDRFGO-FGZHOGPDSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107075 1063095974 /nfs/dbraw/zinc/09/59/74/1063095974.db2.gz FVQJZAJMLDRFGO-FGZHOGPDSA-N 2 1 469.678 2.931 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123611 1063138428 /nfs/dbraw/zinc/13/84/28/1063138428.db2.gz NWXIVUZXDXNVDZ-YADHBBJMSA-N 2 1 459.683 2.993 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](CCc3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291125732 1063149839 /nfs/dbraw/zinc/14/98/39/1063149839.db2.gz AFXHIHYAXVZALP-JOCHJYFZSA-N 2 1 467.662 2.513 20 0 JFADMP C[C@@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001291128497 1063164197 /nfs/dbraw/zinc/16/41/97/1063164197.db2.gz YDESSBPYSKZSLF-LJQANCHMSA-N 2 1 498.598 2.502 20 0 JFADMP C[C@H]1CCC[N@@H+]1CCn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140203 1063206835 /nfs/dbraw/zinc/20/68/35/1063206835.db2.gz SOTQXHPKYBBJEF-VXKWHMMOSA-N 2 1 470.662 2.622 20 0 JFADMP C[C@H]1CCC[N@H+]1CCn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140203 1063206859 /nfs/dbraw/zinc/20/68/59/1063206859.db2.gz SOTQXHPKYBBJEF-VXKWHMMOSA-N 2 1 470.662 2.622 20 0 JFADMP C[C@@H]1CCC[N@@H+]1CCn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140204 1063206955 /nfs/dbraw/zinc/20/69/55/1063206955.db2.gz SOTQXHPKYBBJEF-YADHBBJMSA-N 2 1 470.662 2.622 20 0 JFADMP C[C@@H]1CCC[N@H+]1CCn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140204 1063206977 /nfs/dbraw/zinc/20/69/77/1063206977.db2.gz SOTQXHPKYBBJEF-YADHBBJMSA-N 2 1 470.662 2.622 20 0 JFADMP C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC001291141531 1063215581 /nfs/dbraw/zinc/21/55/81/1063215581.db2.gz PHGSPZNFLGNKFX-OAQYLSRUSA-N 2 1 459.683 2.945 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001295334307 1063236848 /nfs/dbraw/zinc/23/68/48/1063236848.db2.gz KBMUAIDBYPKZHR-QFIPXVFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001295334307 1063236867 /nfs/dbraw/zinc/23/68/67/1063236867.db2.gz KBMUAIDBYPKZHR-QFIPXVFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295334307 1063236891 /nfs/dbraw/zinc/23/68/91/1063236891.db2.gz KBMUAIDBYPKZHR-QFIPXVFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295334307 1063236910 /nfs/dbraw/zinc/23/69/10/1063236910.db2.gz KBMUAIDBYPKZHR-QFIPXVFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295335038 1063247293 /nfs/dbraw/zinc/24/72/93/1063247293.db2.gz WZSNJSBBQUOVPY-FCHUYYIVSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295335038 1063247311 /nfs/dbraw/zinc/24/73/11/1063247311.db2.gz WZSNJSBBQUOVPY-FCHUYYIVSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295335038 1063247325 /nfs/dbraw/zinc/24/73/25/1063247325.db2.gz WZSNJSBBQUOVPY-FCHUYYIVSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295335038 1063247342 /nfs/dbraw/zinc/24/73/42/1063247342.db2.gz WZSNJSBBQUOVPY-FCHUYYIVSA-N 2 1 473.710 2.732 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001295367422 1063332243 /nfs/dbraw/zinc/33/22/43/1063332243.db2.gz SYZXSJFFFBNOJX-HXUWFJFHSA-N 2 1 471.650 2.711 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001295367422 1063332270 /nfs/dbraw/zinc/33/22/70/1063332270.db2.gz SYZXSJFFFBNOJX-HXUWFJFHSA-N 2 1 471.650 2.711 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001295384086 1063358431 /nfs/dbraw/zinc/35/84/31/1063358431.db2.gz FIMHNBQWXHMPKI-VXKWHMMOSA-N 2 1 467.662 2.842 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390304 1063369466 /nfs/dbraw/zinc/36/94/66/1063369466.db2.gz NICRYVIDMPGTLD-TVZXLZGTSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295474739 1063482290 /nfs/dbraw/zinc/48/22/90/1063482290.db2.gz GKCRLGOWBXCCQP-XMMPIXPASA-N 2 1 486.709 2.807 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295474749 1063483085 /nfs/dbraw/zinc/48/30/85/1063483085.db2.gz GQNFWOLWFFQRCY-VWLOTQADSA-N 2 1 456.635 2.543 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482670 1063504294 /nfs/dbraw/zinc/50/42/94/1063504294.db2.gz XAVKJJFXCDOBFW-JOCHJYFZSA-N 2 1 497.688 2.676 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001295490697 1063517869 /nfs/dbraw/zinc/51/78/69/1063517869.db2.gz FLIHCVUIINBJTH-QHCPKHFHSA-N 2 1 495.716 2.914 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001295502138 1063535973 /nfs/dbraw/zinc/53/59/73/1063535973.db2.gz ARWXZMPTBZREAE-NHCUHLMSSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295541274 1063576122 /nfs/dbraw/zinc/57/61/22/1063576122.db2.gz IOUPRNOOXOWOQL-IFMALSPDSA-N 2 1 461.699 2.587 20 0 JFADMP CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295541277 1063576284 /nfs/dbraw/zinc/57/62/84/1063576284.db2.gz IOUPRNOOXOWOQL-UNMCSNQZSA-N 2 1 461.699 2.587 20 0 JFADMP CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291288376 1063647869 /nfs/dbraw/zinc/64/78/69/1063647869.db2.gz RGAFHJCBCSFCEK-SZPZYZBQSA-N 2 1 462.683 2.982 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292030 1063673521 /nfs/dbraw/zinc/67/35/21/1063673521.db2.gz XVUNTLHFZLFDCX-OYRHEFFESA-N 2 1 472.682 2.735 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292030 1063673530 /nfs/dbraw/zinc/67/35/30/1063673530.db2.gz XVUNTLHFZLFDCX-OYRHEFFESA-N 2 1 472.682 2.735 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291292030 1063673534 /nfs/dbraw/zinc/67/35/34/1063673534.db2.gz XVUNTLHFZLFDCX-OYRHEFFESA-N 2 1 472.682 2.735 20 0 JFADMP C[C@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCO1 ZINC001291292683 1063677624 /nfs/dbraw/zinc/67/76/24/1063677624.db2.gz IAJFFXBBLJXDCH-VXKWHMMOSA-N 2 1 462.683 2.526 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001295830071 1063843548 /nfs/dbraw/zinc/84/35/48/1063843548.db2.gz LDZAODKSIFFSAR-UYAOXDASSA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001295830071 1063843578 /nfs/dbraw/zinc/84/35/78/1063843578.db2.gz LDZAODKSIFFSAR-UYAOXDASSA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001295841369 1063859824 /nfs/dbraw/zinc/85/98/24/1063859824.db2.gz CPWIDGYYHGBQKM-LJQANCHMSA-N 2 1 498.598 2.502 20 0 JFADMP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1)CCC(F)(F)F ZINC001295844521 1063864742 /nfs/dbraw/zinc/86/47/42/1063864742.db2.gz COCHVBCXZQCETK-UHFFFAOYSA-N 2 1 485.599 2.564 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001295845194 1063866029 /nfs/dbraw/zinc/86/60/29/1063866029.db2.gz KXOCXYPTWDGGTR-GOSISDBHSA-N 2 1 471.572 2.568 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295848036 1063871530 /nfs/dbraw/zinc/87/15/30/1063871530.db2.gz GREGDNZSCQUMSF-QHCPKHFHSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295848036 1063871536 /nfs/dbraw/zinc/87/15/36/1063871536.db2.gz GREGDNZSCQUMSF-QHCPKHFHSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295848036 1063871540 /nfs/dbraw/zinc/87/15/40/1063871540.db2.gz GREGDNZSCQUMSF-QHCPKHFHSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854352 1063882826 /nfs/dbraw/zinc/88/28/26/1063882826.db2.gz VTLLQOOXLFPEAF-XPWALMASSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854352 1063882838 /nfs/dbraw/zinc/88/28/38/1063882838.db2.gz VTLLQOOXLFPEAF-XPWALMASSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854352 1063882849 /nfs/dbraw/zinc/88/28/49/1063882849.db2.gz VTLLQOOXLFPEAF-XPWALMASSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001291455906 1064021760 /nfs/dbraw/zinc/02/17/60/1064021760.db2.gz GLQHXCDLKCNCHQ-ZJSXRUAMSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001291455906 1064021766 /nfs/dbraw/zinc/02/17/66/1064021766.db2.gz GLQHXCDLKCNCHQ-ZJSXRUAMSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001291455906 1064021772 /nfs/dbraw/zinc/02/17/72/1064021772.db2.gz GLQHXCDLKCNCHQ-ZJSXRUAMSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001291455906 1064021778 /nfs/dbraw/zinc/02/17/78/1064021778.db2.gz GLQHXCDLKCNCHQ-ZJSXRUAMSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291456866 1064022921 /nfs/dbraw/zinc/02/29/21/1064022921.db2.gz ZHWNDMICXRXTEJ-HXUWFJFHSA-N 2 1 450.672 2.574 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291456866 1064022922 /nfs/dbraw/zinc/02/29/22/1064022922.db2.gz ZHWNDMICXRXTEJ-HXUWFJFHSA-N 2 1 450.672 2.574 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291456865 1064022970 /nfs/dbraw/zinc/02/29/70/1064022970.db2.gz ZHWNDMICXRXTEJ-FQEVSTJZSA-N 2 1 450.672 2.574 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001291456865 1064022974 /nfs/dbraw/zinc/02/29/74/1064022974.db2.gz ZHWNDMICXRXTEJ-FQEVSTJZSA-N 2 1 450.672 2.574 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001295977434 1064023372 /nfs/dbraw/zinc/02/33/72/1064023372.db2.gz KPVVLVJNVVHYSE-LQWHRVPQSA-N 2 1 459.614 2.777 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001295977436 1064023526 /nfs/dbraw/zinc/02/35/26/1064023526.db2.gz KPVVLVJNVVHYSE-LVCYWYKZSA-N 2 1 459.614 2.777 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001296009530 1064064919 /nfs/dbraw/zinc/06/49/19/1064064919.db2.gz LCLMPWKPEAMNFG-IPJJNNNSSA-N 2 1 471.625 2.761 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011355 1064071073 /nfs/dbraw/zinc/07/10/73/1064071073.db2.gz VEGDNXZMDUDKFP-RPWUZVMVSA-N 2 1 483.705 2.987 20 0 JFADMP CC[NH+]1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001296028205 1064087230 /nfs/dbraw/zinc/08/72/30/1064087230.db2.gz WDVZBPZLSQMKOL-LJQANCHMSA-N 2 1 475.707 2.913 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291579264 1064105413 /nfs/dbraw/zinc/10/54/13/1064105413.db2.gz IOQWPZWBLNALOI-FKBYEOEOSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001291579264 1064105421 /nfs/dbraw/zinc/10/54/21/1064105421.db2.gz IOQWPZWBLNALOI-FKBYEOEOSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001291579264 1064105427 /nfs/dbraw/zinc/10/54/27/1064105427.db2.gz IOQWPZWBLNALOI-FKBYEOEOSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291582835 1064114930 /nfs/dbraw/zinc/11/49/30/1064114930.db2.gz MTLOLDRGGADDGC-NRFANRHFSA-N 2 1 459.683 2.801 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001296073932 1064140008 /nfs/dbraw/zinc/14/00/08/1064140008.db2.gz IALHYXZYKWYBSI-HSZRJFAPSA-N 2 1 467.662 2.921 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620516 1064159289 /nfs/dbraw/zinc/15/92/89/1064159289.db2.gz JWCKOQONOFTNBH-PWHSHALESA-N 2 1 450.697 2.918 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620511 1064159364 /nfs/dbraw/zinc/15/93/64/1064159364.db2.gz JWCKOQONOFTNBH-DNVFCKCGSA-N 2 1 450.697 2.918 20 0 JFADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296095319 1064168332 /nfs/dbraw/zinc/16/83/32/1064168332.db2.gz HTUJHIDHBBVEEK-JOCHJYFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296095319 1064168336 /nfs/dbraw/zinc/16/83/36/1064168336.db2.gz HTUJHIDHBBVEEK-JOCHJYFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001296095319 1064168339 /nfs/dbraw/zinc/16/83/39/1064168339.db2.gz HTUJHIDHBBVEEK-JOCHJYFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001296095319 1064168341 /nfs/dbraw/zinc/16/83/41/1064168341.db2.gz HTUJHIDHBBVEEK-JOCHJYFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630164 1064175448 /nfs/dbraw/zinc/17/54/48/1064175448.db2.gz RPMGCXYKMQHORV-YADHBBJMSA-N 3 1 454.667 2.929 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630164 1064175451 /nfs/dbraw/zinc/17/54/51/1064175451.db2.gz RPMGCXYKMQHORV-YADHBBJMSA-N 2 1 454.667 2.929 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630164 1064175455 /nfs/dbraw/zinc/17/54/55/1064175455.db2.gz RPMGCXYKMQHORV-YADHBBJMSA-N 2 1 454.667 2.929 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642594 1064192398 /nfs/dbraw/zinc/19/23/98/1064192398.db2.gz LPUHSATYTUDIJA-VXKWHMMOSA-N 2 1 484.693 2.534 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CC[N@H+](C)C(C)C)CC2)CC1 ZINC001296119327 1064204221 /nfs/dbraw/zinc/20/42/21/1064204221.db2.gz RLHWLZKIWCUMSF-UHFFFAOYSA-N 2 1 461.699 2.587 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CC[N@@H+](C)C(C)C)CC2)CC1 ZINC001296119327 1064204225 /nfs/dbraw/zinc/20/42/25/1064204225.db2.gz RLHWLZKIWCUMSF-UHFFFAOYSA-N 2 1 461.699 2.587 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296134831 1064237199 /nfs/dbraw/zinc/23/71/99/1064237199.db2.gz QZMWDKHIKFKBHZ-ZRBLBEILSA-N 2 1 499.704 2.811 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136450 1064241908 /nfs/dbraw/zinc/24/19/08/1064241908.db2.gz IHGMGRBPTHPZEN-GMAHTHKFSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136450 1064241914 /nfs/dbraw/zinc/24/19/14/1064241914.db2.gz IHGMGRBPTHPZEN-GMAHTHKFSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136450 1064241918 /nfs/dbraw/zinc/24/19/18/1064241918.db2.gz IHGMGRBPTHPZEN-GMAHTHKFSA-N 2 1 467.662 2.511 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763096 1064243664 /nfs/dbraw/zinc/24/36/64/1064243664.db2.gz VXIPUOILHFXKKP-JXALWOEJSA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763096 1064243673 /nfs/dbraw/zinc/24/36/73/1064243673.db2.gz VXIPUOILHFXKKP-JXALWOEJSA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291765882 1064247351 /nfs/dbraw/zinc/24/73/51/1064247351.db2.gz QZAZVPLUGDOZAH-RTBURBONSA-N 2 1 462.042 2.882 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291765882 1064247354 /nfs/dbraw/zinc/24/73/54/1064247354.db2.gz QZAZVPLUGDOZAH-RTBURBONSA-N 2 1 462.042 2.882 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001291767896 1064250335 /nfs/dbraw/zinc/25/03/35/1064250335.db2.gz OYFZUBUNXOZPCM-HXUWFJFHSA-N 2 1 451.619 2.992 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001291767896 1064250337 /nfs/dbraw/zinc/25/03/37/1064250337.db2.gz OYFZUBUNXOZPCM-HXUWFJFHSA-N 2 1 451.619 2.992 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[NH+](C)CCCOC)C[C@H]1C ZINC001296143422 1064253090 /nfs/dbraw/zinc/25/30/90/1064253090.db2.gz QCDLFLRXAIJFIN-QGZVFWFLSA-N 2 1 482.471 2.545 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@H+](C)CCCOC)C[C@H]1C ZINC001296143422 1064253097 /nfs/dbraw/zinc/25/30/97/1064253097.db2.gz QCDLFLRXAIJFIN-QGZVFWFLSA-N 2 1 482.471 2.545 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC[N@@H+](C)CCCOC)C[C@H]1C ZINC001296143422 1064253101 /nfs/dbraw/zinc/25/31/01/1064253101.db2.gz QCDLFLRXAIJFIN-QGZVFWFLSA-N 2 1 482.471 2.545 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001296145163 1064255561 /nfs/dbraw/zinc/25/55/61/1064255561.db2.gz XEMDRRDJEPBSHQ-QGZVFWFLSA-N 2 1 469.590 2.706 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001296145163 1064255566 /nfs/dbraw/zinc/25/55/66/1064255566.db2.gz XEMDRRDJEPBSHQ-QGZVFWFLSA-N 2 1 469.590 2.706 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001296145885 1064256396 /nfs/dbraw/zinc/25/63/96/1064256396.db2.gz GSRJLACBMRWQIU-JTSKRJEESA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296145885 1064256405 /nfs/dbraw/zinc/25/64/05/1064256405.db2.gz GSRJLACBMRWQIU-JTSKRJEESA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296145885 1064256412 /nfs/dbraw/zinc/25/64/12/1064256412.db2.gz GSRJLACBMRWQIU-JTSKRJEESA-N 2 1 477.451 2.613 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296147078 1064257855 /nfs/dbraw/zinc/25/78/55/1064257855.db2.gz NEKAHLBEBWCFHN-VQTJNVASSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296147078 1064257864 /nfs/dbraw/zinc/25/78/64/1064257864.db2.gz NEKAHLBEBWCFHN-VQTJNVASSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296147078 1064257873 /nfs/dbraw/zinc/25/78/73/1064257873.db2.gz NEKAHLBEBWCFHN-VQTJNVASSA-N 2 1 474.675 2.611 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773415 1064258457 /nfs/dbraw/zinc/25/84/57/1064258457.db2.gz HIFDURPPYQZQHI-GMAHTHKFSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773415 1064258464 /nfs/dbraw/zinc/25/84/64/1064258464.db2.gz HIFDURPPYQZQHI-GMAHTHKFSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001291773415 1064258466 /nfs/dbraw/zinc/25/84/66/1064258466.db2.gz HIFDURPPYQZQHI-GMAHTHKFSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001291773415 1064258473 /nfs/dbraw/zinc/25/84/73/1064258473.db2.gz HIFDURPPYQZQHI-GMAHTHKFSA-N 2 1 488.702 2.623 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001296156939 1064269116 /nfs/dbraw/zinc/26/91/16/1064269116.db2.gz DDPPLTVYGATLOE-HBMCJLEFSA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001296156939 1064269128 /nfs/dbraw/zinc/26/91/28/1064269128.db2.gz DDPPLTVYGATLOE-HBMCJLEFSA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001296156939 1064269138 /nfs/dbraw/zinc/26/91/38/1064269138.db2.gz DDPPLTVYGATLOE-HBMCJLEFSA-N 2 1 491.681 2.601 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291782955 1064274624 /nfs/dbraw/zinc/27/46/24/1064274624.db2.gz WAZSPZDXYFILIB-FIXSFTCYSA-N 2 1 454.663 2.951 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291782955 1064274635 /nfs/dbraw/zinc/27/46/35/1064274635.db2.gz WAZSPZDXYFILIB-FIXSFTCYSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001296162778 1064276150 /nfs/dbraw/zinc/27/61/50/1064276150.db2.gz PJUOYTLLVHQANI-NRFANRHFSA-N 2 1 456.635 2.520 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001296164827 1064283166 /nfs/dbraw/zinc/28/31/66/1064283166.db2.gz DPNPSMFLIHIGIH-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001296164827 1064283179 /nfs/dbraw/zinc/28/31/79/1064283179.db2.gz DPNPSMFLIHIGIH-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001296164827 1064283190 /nfs/dbraw/zinc/28/31/90/1064283190.db2.gz DPNPSMFLIHIGIH-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@H](OC)C(C)C)C[C@H]1C ZINC001296165429 1064284835 /nfs/dbraw/zinc/28/48/35/1064284835.db2.gz JJGAWQFURJHSQJ-ILBGXUMGSA-N 2 1 483.705 2.844 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296167115 1064289052 /nfs/dbraw/zinc/28/90/52/1064289052.db2.gz QRXZWNCVGZZFPG-WOJBJXKFSA-N 2 1 473.691 2.922 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296173926 1064299763 /nfs/dbraw/zinc/29/97/63/1064299763.db2.gz MUZKQWVHNPWQQP-REWPJTCUSA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001296173926 1064299777 /nfs/dbraw/zinc/29/97/77/1064299777.db2.gz MUZKQWVHNPWQQP-REWPJTCUSA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001296174667 1064301864 /nfs/dbraw/zinc/30/18/64/1064301864.db2.gz RIENCBFGKASOHT-LJQANCHMSA-N 2 1 453.591 2.991 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2cc[nH+]c2C)C[C@H]1C ZINC001296174667 1064301879 /nfs/dbraw/zinc/30/18/79/1064301879.db2.gz RIENCBFGKASOHT-LJQANCHMSA-N 2 1 453.591 2.991 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181850 1064318384 /nfs/dbraw/zinc/31/83/84/1064318384.db2.gz FLLICMMMARYFAI-FYYLOGMGSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001296182184 1064321836 /nfs/dbraw/zinc/32/18/36/1064321836.db2.gz ORSALDOIYKZMHJ-QHCPKHFHSA-N 2 1 483.705 2.970 20 0 JFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 ZINC001291920926 1064542082 /nfs/dbraw/zinc/54/20/82/1064542082.db2.gz UTNZYFPTHGGDOS-MRXNPFEDSA-N 2 1 455.563 2.642 20 0 JFADMP CCC(CC)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC[N@H+](C(C)C)CC1)[NH+]1CCOCC1 ZINC001291963525 1064576875 /nfs/dbraw/zinc/57/68/75/1064576875.db2.gz KQJXMCFJIBHQQC-QHCPKHFHSA-N 2 1 470.666 2.793 20 0 JFADMP CCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892479 1065590183 /nfs/dbraw/zinc/59/01/83/1065590183.db2.gz DRRIKEGDLRNEJN-OFVILXPXSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892479 1065590194 /nfs/dbraw/zinc/59/01/94/1065590194.db2.gz DRRIKEGDLRNEJN-OFVILXPXSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892479 1065590202 /nfs/dbraw/zinc/59/02/02/1065590202.db2.gz DRRIKEGDLRNEJN-OFVILXPXSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292923570 1065612006 /nfs/dbraw/zinc/61/20/06/1065612006.db2.gz DHONPUVUOZGUSR-UHFFFAOYSA-N 2 1 473.710 2.781 20 0 JFADMP CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001292951624 1065632345 /nfs/dbraw/zinc/63/23/45/1065632345.db2.gz KAYZZSIVKAKVAS-JOCHJYFZSA-N 2 1 487.718 2.976 20 0 JFADMP CCc1nnc(N2CC[NH+](Cc3ccccc3OC)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293128065 1065779154 /nfs/dbraw/zinc/77/91/54/1065779154.db2.gz IOXYLKNWWOTOPC-UHFFFAOYSA-N 2 1 458.676 2.999 20 0 JFADMP CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001293365900 1065971235 /nfs/dbraw/zinc/97/12/35/1065971235.db2.gz PHVSNDULNLXFPX-NRFANRHFSA-N 2 1 470.666 2.794 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001293365900 1065971245 /nfs/dbraw/zinc/97/12/45/1065971245.db2.gz PHVSNDULNLXFPX-NRFANRHFSA-N 2 1 470.666 2.794 20 0 JFADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001293365901 1065971281 /nfs/dbraw/zinc/97/12/81/1065971281.db2.gz PHVSNDULNLXFPX-OAQYLSRUSA-N 2 1 470.666 2.794 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cnccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001293365901 1065971291 /nfs/dbraw/zinc/97/12/91/1065971291.db2.gz PHVSNDULNLXFPX-OAQYLSRUSA-N 2 1 470.666 2.794 20 0 JFADMP C[NH+]1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001293382818 1065985430 /nfs/dbraw/zinc/98/54/30/1065985430.db2.gz HOONQAVHSZDYNL-FQEVSTJZSA-N 2 1 455.416 2.649 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001293560319 1066074462 /nfs/dbraw/zinc/07/44/62/1066074462.db2.gz JEIJEMKZENBGDH-DNQXCXABSA-N 2 1 470.662 2.849 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293559738 1066074541 /nfs/dbraw/zinc/07/45/41/1066074541.db2.gz FKSPWELZEFLMDD-QFIPXVFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293559738 1066074551 /nfs/dbraw/zinc/07/45/51/1066074551.db2.gz FKSPWELZEFLMDD-QFIPXVFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293559738 1066074563 /nfs/dbraw/zinc/07/45/63/1066074563.db2.gz FKSPWELZEFLMDD-QFIPXVFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293559738 1066074568 /nfs/dbraw/zinc/07/45/68/1066074568.db2.gz FKSPWELZEFLMDD-QFIPXVFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293588192 1066096542 /nfs/dbraw/zinc/09/65/42/1066096542.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001293588192 1066096551 /nfs/dbraw/zinc/09/65/51/1066096551.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001293588192 1066096563 /nfs/dbraw/zinc/09/65/63/1066096563.db2.gz USFTYVHLSULDRO-FUPPJEDESA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293588197 1066096629 /nfs/dbraw/zinc/09/66/29/1066096629.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001293588197 1066096638 /nfs/dbraw/zinc/09/66/38/1066096638.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@H]1CN(c2nnc(C3CCCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH+]1CCOC ZINC001293588197 1066096649 /nfs/dbraw/zinc/09/66/49/1066096649.db2.gz USFTYVHLSULDRO-XJUOHMSHSA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293603097 1066119488 /nfs/dbraw/zinc/11/94/88/1066119488.db2.gz SYTHXBLARHDXDZ-ACESQOTJSA-N 2 1 476.710 2.913 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293603097 1066119494 /nfs/dbraw/zinc/11/94/94/1066119494.db2.gz SYTHXBLARHDXDZ-ACESQOTJSA-N 2 1 476.710 2.913 20 0 JFADMP CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293627912 1066142034 /nfs/dbraw/zinc/14/20/34/1066142034.db2.gz PMTJWJOBYJRCKG-BKULYWANSA-N 2 1 470.662 2.569 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293633181 1066147604 /nfs/dbraw/zinc/14/76/04/1066147604.db2.gz YUNNVWZXYLSRKQ-SGNDLWITSA-N 2 1 486.709 2.663 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293633194 1066148049 /nfs/dbraw/zinc/14/80/49/1066148049.db2.gz YUNNVWZXYLSRKQ-WXFUMESZSA-N 2 1 486.709 2.663 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001294076528 1066545861 /nfs/dbraw/zinc/54/58/61/1066545861.db2.gz KLVZHJLYZGPHBH-QFIPXVFZSA-N 2 1 472.682 2.880 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001294077446 1066546829 /nfs/dbraw/zinc/54/68/29/1066546829.db2.gz PFIBYCQWSTWTMS-XXBNENTESA-N 2 1 461.680 2.648 20 0 JFADMP CCC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001294082149 1066550788 /nfs/dbraw/zinc/55/07/88/1066550788.db2.gz PWPZSHRCDYIYBQ-XZOQPEGZSA-N 2 1 462.683 2.841 20 0 JFADMP CC[C@@H]1C(=O)N(C)c2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681252 719620606 /nfs/dbraw/zinc/62/06/06/719620606.db2.gz FFFBTMGBWXYCPD-HXUWFJFHSA-N 2 1 466.634 2.652 20 0 JFADMP CC[C@@H]1C(=O)N(C)c2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681252 719620614 /nfs/dbraw/zinc/62/06/14/719620614.db2.gz FFFBTMGBWXYCPD-HXUWFJFHSA-N 2 1 466.634 2.652 20 0 JFADMP CC(C)[N@H+](C)Cc1nn([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CC[NH2+]C2 ZINC001164679591 719635937 /nfs/dbraw/zinc/63/59/37/719635937.db2.gz IEEDDJZLSRRWLQ-QHCPKHFHSA-N 2 1 491.015 2.836 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn([C@@]2(F)CN(C3CCCC3)c3nc(Cl)ncc3NC2=O)c2c1CC[NH2+]C2 ZINC001164679591 719635954 /nfs/dbraw/zinc/63/59/54/719635954.db2.gz IEEDDJZLSRRWLQ-QHCPKHFHSA-N 2 1 491.015 2.836 20 0 JFADMP COc1ccc(Cn2cc3[nH]c(-n4nc(C[N@H+](C)C(C)C)c5c4C[NH2+]CC5)ccc-3c2=O)cc1 ZINC001164679773 719636789 /nfs/dbraw/zinc/63/67/89/719636789.db2.gz MRFXJNBZWJJDRI-UHFFFAOYSA-N 2 1 460.582 2.918 20 0 JFADMP COc1ccc(Cn2cc3[nH]c(-n4nc(C[N@@H+](C)C(C)C)c5c4C[NH2+]CC5)ccc-3c2=O)cc1 ZINC001164679773 719636793 /nfs/dbraw/zinc/63/67/93/719636793.db2.gz MRFXJNBZWJJDRI-UHFFFAOYSA-N 2 1 460.582 2.918 20 0 JFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679612 719639528 /nfs/dbraw/zinc/63/95/28/719639528.db2.gz IQNZQKXITQMTGK-UHFFFAOYSA-N 2 1 481.670 2.684 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679612 719639533 /nfs/dbraw/zinc/63/95/33/719639533.db2.gz IQNZQKXITQMTGK-UHFFFAOYSA-N 2 1 481.670 2.684 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718273 720204006 /nfs/dbraw/zinc/20/40/06/720204006.db2.gz ZGFBWRDJOWHTBI-FYYLOGMGSA-N 2 1 453.635 2.973 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164822558 720313217 /nfs/dbraw/zinc/31/32/17/720313217.db2.gz NAJWURPFPSCMHC-CLJLJLNGSA-N 2 1 474.653 2.946 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164822558 720313225 /nfs/dbraw/zinc/31/32/25/720313225.db2.gz NAJWURPFPSCMHC-CLJLJLNGSA-N 2 1 474.653 2.946 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832988 720319153 /nfs/dbraw/zinc/31/91/53/720319153.db2.gz VFGRHOQCYZNJBF-LEWJYISDSA-N 2 1 482.629 2.890 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832990 720319353 /nfs/dbraw/zinc/31/93/53/720319353.db2.gz VFGRHOQCYZNJBF-NHCUHLMSSA-N 2 1 482.629 2.890 20 0 JFADMP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753369 720896510 /nfs/dbraw/zinc/89/65/10/720896510.db2.gz GSGUFSYXERHFTF-LBNVMWSVSA-N 2 1 476.669 2.984 20 0 JFADMP [NH3+]C1CCN(c2ccnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164756590 720898062 /nfs/dbraw/zinc/89/80/62/720898062.db2.gz QRPGOPVOFRSBQG-YIXXDRMTSA-N 2 1 477.657 2.554 20 0 JFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164785993 721453568 /nfs/dbraw/zinc/45/35/68/721453568.db2.gz LIDSBOIHBGPLFZ-SFHVURJKSA-N 2 1 450.027 2.510 20 0 JFADMP C[NH+](C)CCOCc1ncn2c1CN(c1[nH+]cnc3c1ccn3COC(=O)C(C)(C)C)CCC2 ZINC001165002947 722253615 /nfs/dbraw/zinc/25/36/15/722253615.db2.gz XZDCYYSGIFPEKG-UHFFFAOYSA-N 2 1 469.590 2.663 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869358 1061260265 /nfs/dbraw/zinc/26/02/65/1061260265.db2.gz DVKNWLACNRBDIV-NZQKXSOJSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869358 1061260289 /nfs/dbraw/zinc/26/02/89/1061260289.db2.gz DVKNWLACNRBDIV-NZQKXSOJSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869358 1061260309 /nfs/dbraw/zinc/26/03/09/1061260309.db2.gz DVKNWLACNRBDIV-NZQKXSOJSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@H]2C)CC1 ZINC001286869527 1061262610 /nfs/dbraw/zinc/26/26/10/1061262610.db2.gz FJQNKPIIWPHLMM-VWNXMTODSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286871176 1061270378 /nfs/dbraw/zinc/27/03/78/1061270378.db2.gz MQDMVGAKDHAEKA-MDNUFGMLSA-N 2 1 475.726 2.931 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872780 1061280673 /nfs/dbraw/zinc/28/06/73/1061280673.db2.gz XWXRCYBBXLLCDB-NFBKMPQASA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872780 1061280692 /nfs/dbraw/zinc/28/06/92/1061280692.db2.gz XWXRCYBBXLLCDB-NFBKMPQASA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872780 1061280710 /nfs/dbraw/zinc/28/07/10/1061280710.db2.gz XWXRCYBBXLLCDB-NFBKMPQASA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887467 1061336549 /nfs/dbraw/zinc/33/65/49/1061336549.db2.gz RNTWRFMIRYQLQG-AKIFATBCSA-N 2 1 459.683 2.511 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289727680 1061336594 /nfs/dbraw/zinc/33/65/94/1061336594.db2.gz RROIHQMOYWJYIE-FQEVSTJZSA-N 2 1 471.650 2.644 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289727680 1061336615 /nfs/dbraw/zinc/33/66/15/1061336615.db2.gz RROIHQMOYWJYIE-FQEVSTJZSA-N 2 1 471.650 2.644 20 0 JFADMP CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001286891440 1061360504 /nfs/dbraw/zinc/36/05/04/1061360504.db2.gz XOASHAXTRMXVQD-UHFFFAOYSA-N 2 1 474.053 2.541 20 0 JFADMP CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001286892546 1061365181 /nfs/dbraw/zinc/36/51/81/1061365181.db2.gz WUYNKODQZIRVKU-UHFFFAOYSA-N 2 1 467.662 2.666 20 0 JFADMP CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001286892546 1061365201 /nfs/dbraw/zinc/36/52/01/1061365201.db2.gz WUYNKODQZIRVKU-UHFFFAOYSA-N 2 1 467.662 2.666 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)n1 ZINC001289950536 1061643655 /nfs/dbraw/zinc/64/36/55/1061643655.db2.gz GYPUZUYUODCYPC-FCHUYYIVSA-N 2 1 455.651 2.783 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001289972647 1061683165 /nfs/dbraw/zinc/68/31/65/1061683165.db2.gz PFSVUXDJYKNTMF-QFIPXVFZSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)n1 ZINC001289972647 1061683172 /nfs/dbraw/zinc/68/31/72/1061683172.db2.gz PFSVUXDJYKNTMF-QFIPXVFZSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)n1 ZINC001289972647 1061683185 /nfs/dbraw/zinc/68/31/85/1061683185.db2.gz PFSVUXDJYKNTMF-QFIPXVFZSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[NH+](C(C)C)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC001289972642 1061683253 /nfs/dbraw/zinc/68/32/53/1061683253.db2.gz PFSVUXDJYKNTMF-JOCHJYFZSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@H]2C[NH+](CC(C)C)CCO2)n1 ZINC001289972642 1061683262 /nfs/dbraw/zinc/68/32/62/1061683262.db2.gz PFSVUXDJYKNTMF-JOCHJYFZSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@H]2C[NH+](CC(C)C)CCO2)n1 ZINC001289972642 1061683268 /nfs/dbraw/zinc/68/32/68/1061683268.db2.gz PFSVUXDJYKNTMF-JOCHJYFZSA-N 2 1 455.651 2.926 20 0 JFADMP CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001294208677 1061711267 /nfs/dbraw/zinc/71/12/67/1061711267.db2.gz HWOQNKVLHSDUHW-UHFFFAOYSA-N 2 1 472.682 2.738 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001294223821 1061734502 /nfs/dbraw/zinc/73/45/02/1061734502.db2.gz LPDLCQRVJUTHCJ-UHFFFAOYSA-N 2 1 482.677 2.515 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001294223821 1061734524 /nfs/dbraw/zinc/73/45/24/1061734524.db2.gz LPDLCQRVJUTHCJ-UHFFFAOYSA-N 2 1 482.677 2.515 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001294223821 1061734538 /nfs/dbraw/zinc/73/45/38/1061734538.db2.gz LPDLCQRVJUTHCJ-UHFFFAOYSA-N 2 1 482.677 2.515 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001294223821 1061734560 /nfs/dbraw/zinc/73/45/60/1061734560.db2.gz LPDLCQRVJUTHCJ-UHFFFAOYSA-N 2 1 482.677 2.515 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)[NH+](C)C)C1 ZINC001294455131 1062001733 /nfs/dbraw/zinc/00/17/33/1062001733.db2.gz DDBKMZOWXHXWPV-AZUAARDMSA-N 2 1 490.722 2.665 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2C[C@H](C)[NH+](C)C)C1 ZINC001294455132 1062002082 /nfs/dbraw/zinc/00/20/82/1062002082.db2.gz DDBKMZOWXHXWPV-ICSRJNTNSA-N 2 1 490.722 2.665 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294464824 1062014283 /nfs/dbraw/zinc/01/42/83/1062014283.db2.gz XTKFNLFIXZOREN-NRFANRHFSA-N 2 1 455.651 2.744 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294467546 1062016233 /nfs/dbraw/zinc/01/62/33/1062016233.db2.gz GUSUQKFCJMXGFB-RTWAWAEBSA-N 2 1 469.682 2.570 20 0 JFADMP CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001287044128 1062018213 /nfs/dbraw/zinc/01/82/13/1062018213.db2.gz QQBLITYHDQHVQE-UHFFFAOYSA-N 2 1 470.662 2.931 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001294515622 1062052307 /nfs/dbraw/zinc/05/23/07/1062052307.db2.gz IRZLMIWEVAOHTM-QFIPXVFZSA-N 2 1 454.667 2.597 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001294515622 1062052326 /nfs/dbraw/zinc/05/23/26/1062052326.db2.gz IRZLMIWEVAOHTM-QFIPXVFZSA-N 2 1 454.667 2.597 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001294515622 1062052348 /nfs/dbraw/zinc/05/23/48/1062052348.db2.gz IRZLMIWEVAOHTM-QFIPXVFZSA-N 2 1 454.667 2.597 20 0 JFADMP CCC[NH+]1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001294662302 1062214297 /nfs/dbraw/zinc/21/42/97/1062214297.db2.gz KCWABJANJPDYAX-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](C(C)C)CC2)C1 ZINC001294668480 1062223285 /nfs/dbraw/zinc/22/32/85/1062223285.db2.gz GVEFZPVAYJZGMC-LJQANCHMSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668800 1062224200 /nfs/dbraw/zinc/22/42/00/1062224200.db2.gz DCFUFGRIHIVYRT-WIOPSUGQSA-N 2 1 462.683 2.829 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294668799 1062224768 /nfs/dbraw/zinc/22/47/68/1062224768.db2.gz DCFUFGRIHIVYRT-RDGATRHJSA-N 2 1 462.683 2.829 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294684613 1062244923 /nfs/dbraw/zinc/24/49/23/1062244923.db2.gz VAFUFMOGVNTTJV-QHAWAJNXSA-N 2 1 462.683 2.980 20 0 JFADMP Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001290515287 1062314774 /nfs/dbraw/zinc/31/47/74/1062314774.db2.gz WSYCDMPGVNPOGP-UHFFFAOYSA-N 2 1 485.658 2.864 20 0 JFADMP Cc1[nH+]ccn1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001290515287 1062314795 /nfs/dbraw/zinc/31/47/95/1062314795.db2.gz WSYCDMPGVNPOGP-UHFFFAOYSA-N 2 1 485.658 2.864 20 0 JFADMP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001294744829 1062337013 /nfs/dbraw/zinc/33/70/13/1062337013.db2.gz FGGSOQCETOSJSM-IBGZPJMESA-N 2 1 494.482 2.689 20 0 JFADMP CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)CC1 ZINC001294744829 1062337031 /nfs/dbraw/zinc/33/70/31/1062337031.db2.gz FGGSOQCETOSJSM-IBGZPJMESA-N 2 1 494.482 2.689 20 0 JFADMP CCCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001294770333 1062367794 /nfs/dbraw/zinc/36/77/94/1062367794.db2.gz DEVJAWKSFCPHSC-UHFFFAOYSA-N 2 1 480.661 2.936 20 0 JFADMP CC(C)[C@@H](Cn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163263 1062568602 /nfs/dbraw/zinc/56/86/02/1062568602.db2.gz CIUOFVZOKXJFMZ-DNQXCXABSA-N 2 1 489.753 2.927 20 0 JFADMP CC[N@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)c1 ZINC001295125772 1062939354 /nfs/dbraw/zinc/93/93/54/1062939354.db2.gz AKJSUWUHVFEWGR-UHFFFAOYSA-N 2 1 497.688 2.561 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)c1 ZINC001295125772 1062939373 /nfs/dbraw/zinc/93/93/73/1062939373.db2.gz AKJSUWUHVFEWGR-UHFFFAOYSA-N 2 1 497.688 2.561 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001295125772 1062939399 /nfs/dbraw/zinc/93/93/99/1062939399.db2.gz AKJSUWUHVFEWGR-UHFFFAOYSA-N 2 1 497.688 2.561 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001295125772 1062939414 /nfs/dbraw/zinc/93/94/14/1062939414.db2.gz AKJSUWUHVFEWGR-UHFFFAOYSA-N 2 1 497.688 2.561 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[NH+](CC)C[C@H]2C)c1 ZINC001295126305 1062940595 /nfs/dbraw/zinc/94/05/95/1062940595.db2.gz DVLXDTGATVOPRL-LEWJYISDSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001295126305 1062940616 /nfs/dbraw/zinc/94/06/16/1062940616.db2.gz DVLXDTGATVOPRL-LEWJYISDSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001295126305 1062940630 /nfs/dbraw/zinc/94/06/30/1062940630.db2.gz DVLXDTGATVOPRL-LEWJYISDSA-N 2 1 467.662 2.933 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC3)CC2)c1 ZINC001295126717 1062942776 /nfs/dbraw/zinc/94/27/76/1062942776.db2.gz ITZOPCXIRWHNBW-UHFFFAOYSA-N 2 1 453.635 2.591 20 0 JFADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103395 1063080757 /nfs/dbraw/zinc/08/07/57/1063080757.db2.gz DALJJMJSGYXNMY-OAQYLSRUSA-N 2 1 473.710 2.831 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291103368 1063081068 /nfs/dbraw/zinc/08/10/68/1063081068.db2.gz CQRBNYHWFCGWSE-PMACEKPBSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103368 1063081094 /nfs/dbraw/zinc/08/10/94/1063081094.db2.gz CQRBNYHWFCGWSE-PMACEKPBSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770458 1063097500 /nfs/dbraw/zinc/09/75/00/1063097500.db2.gz UIOARFBUDUYXSZ-IFMALSPDSA-N 2 1 453.635 2.528 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770461 1063097839 /nfs/dbraw/zinc/09/78/39/1063097839.db2.gz UIOARFBUDUYXSZ-UNMCSNQZSA-N 2 1 453.635 2.528 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001291126322 1063154573 /nfs/dbraw/zinc/15/45/73/1063154573.db2.gz KHXJUZJUOCURNY-JOCHJYFZSA-N 2 1 467.662 2.861 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001291126322 1063154580 /nfs/dbraw/zinc/15/45/80/1063154580.db2.gz KHXJUZJUOCURNY-JOCHJYFZSA-N 2 1 467.662 2.861 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCC[C@@H](C)C1 ZINC001291126322 1063154590 /nfs/dbraw/zinc/15/45/90/1063154590.db2.gz KHXJUZJUOCURNY-JOCHJYFZSA-N 2 1 467.662 2.861 20 0 JFADMP CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140838 1063211280 /nfs/dbraw/zinc/21/12/80/1063211280.db2.gz FMQZRKGIRBGJNF-JOCHJYFZSA-N 2 1 459.683 2.656 20 0 JFADMP CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001291140838 1063211297 /nfs/dbraw/zinc/21/12/97/1063211297.db2.gz FMQZRKGIRBGJNF-JOCHJYFZSA-N 2 1 459.683 2.656 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[NH+]2CC)CC1 ZINC001295330570 1063230887 /nfs/dbraw/zinc/23/08/87/1063230887.db2.gz ZNVGWQJAGFWODX-OAQYLSRUSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[NH+]2CC)CC1 ZINC001295330570 1063230909 /nfs/dbraw/zinc/23/09/09/1063230909.db2.gz ZNVGWQJAGFWODX-OAQYLSRUSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295330570 1063230928 /nfs/dbraw/zinc/23/09/28/1063230928.db2.gz ZNVGWQJAGFWODX-OAQYLSRUSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295330570 1063230949 /nfs/dbraw/zinc/23/09/49/1063230949.db2.gz ZNVGWQJAGFWODX-OAQYLSRUSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295334250 1063236203 /nfs/dbraw/zinc/23/62/03/1063236203.db2.gz ITDAUOPVOSJNKR-UHFFFAOYSA-N 2 1 461.699 2.904 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CCCC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001295334250 1063236218 /nfs/dbraw/zinc/23/62/18/1063236218.db2.gz ITDAUOPVOSJNKR-UHFFFAOYSA-N 2 1 461.699 2.904 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295334306 1063237207 /nfs/dbraw/zinc/23/72/07/1063237207.db2.gz KBMUAIDBYPKZHR-JOCHJYFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295334306 1063237229 /nfs/dbraw/zinc/23/72/29/1063237229.db2.gz KBMUAIDBYPKZHR-JOCHJYFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295334306 1063237254 /nfs/dbraw/zinc/23/72/54/1063237254.db2.gz KBMUAIDBYPKZHR-JOCHJYFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)(C)C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295334306 1063237263 /nfs/dbraw/zinc/23/72/63/1063237263.db2.gz KBMUAIDBYPKZHR-JOCHJYFZSA-N 2 1 475.726 2.979 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295334683 1063242504 /nfs/dbraw/zinc/24/25/04/1063242504.db2.gz SHBANJABNVDECJ-QHCPKHFHSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295334683 1063242525 /nfs/dbraw/zinc/24/25/25/1063242525.db2.gz SHBANJABNVDECJ-QHCPKHFHSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295334683 1063242532 /nfs/dbraw/zinc/24/25/32/1063242532.db2.gz SHBANJABNVDECJ-QHCPKHFHSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295334683 1063242552 /nfs/dbraw/zinc/24/25/52/1063242552.db2.gz SHBANJABNVDECJ-QHCPKHFHSA-N 2 1 473.710 2.732 20 0 JFADMP CC1CC[NH+](CCn2c(Cc3ccncc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001291185885 1063287612 /nfs/dbraw/zinc/28/76/12/1063287612.db2.gz SFUNFNFJMIQZGO-UHFFFAOYSA-N 2 1 469.678 2.790 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001295359508 1063320722 /nfs/dbraw/zinc/32/07/22/1063320722.db2.gz ZQXUOXILCAJIDL-OAQYLSRUSA-N 2 1 455.651 2.859 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295367027 1063330891 /nfs/dbraw/zinc/33/08/91/1063330891.db2.gz RVYVTCGWCWRPIH-AABGKKOBSA-N 2 1 476.691 2.998 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@H](C)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001291210208 1063386931 /nfs/dbraw/zinc/38/69/31/1063386931.db2.gz YBLKAOJDMPUSBF-OFVILXPXSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210208 1063386952 /nfs/dbraw/zinc/38/69/52/1063386952.db2.gz YBLKAOJDMPUSBF-OFVILXPXSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210208 1063386970 /nfs/dbraw/zinc/38/69/70/1063386970.db2.gz YBLKAOJDMPUSBF-OFVILXPXSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295482480 1063501683 /nfs/dbraw/zinc/50/16/83/1063501683.db2.gz PUPNOXFPHQBUTQ-UHFFFAOYSA-N 2 1 482.677 2.595 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295482671 1063504248 /nfs/dbraw/zinc/50/42/48/1063504248.db2.gz XAVKJJFXCDOBFW-QFIPXVFZSA-N 2 1 497.688 2.676 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001295487295 1063515527 /nfs/dbraw/zinc/51/55/27/1063515527.db2.gz JJRMFSXMIXOXDQ-UHFFFAOYSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001295487295 1063515543 /nfs/dbraw/zinc/51/55/43/1063515543.db2.gz JJRMFSXMIXOXDQ-UHFFFAOYSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001295487295 1063515561 /nfs/dbraw/zinc/51/55/61/1063515561.db2.gz JJRMFSXMIXOXDQ-UHFFFAOYSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[NH+]2CCOCC2)CC1 ZINC001295490403 1063516194 /nfs/dbraw/zinc/51/61/94/1063516194.db2.gz QCSPXCFKTZUGQC-UHFFFAOYSA-N 2 1 461.680 2.667 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295490512 1063516627 /nfs/dbraw/zinc/51/66/27/1063516627.db2.gz UBSHLXIWYQKNFU-DEOSSOPVSA-N 2 1 469.678 2.931 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCOCC2)C1 ZINC001295506970 1063542972 /nfs/dbraw/zinc/54/29/72/1063542972.db2.gz MXSCRTQCOFELKJ-IBGZPJMESA-N 2 1 462.042 2.884 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001295506328 1063543037 /nfs/dbraw/zinc/54/30/37/1063543037.db2.gz JTUNNRSPMCIBSA-NHCUHLMSSA-N 2 1 488.702 2.859 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001295509347 1063544767 /nfs/dbraw/zinc/54/47/67/1063544767.db2.gz VFZBJBHJTLGSET-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001295509347 1063544783 /nfs/dbraw/zinc/54/47/83/1063544783.db2.gz VFZBJBHJTLGSET-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001295520173 1063556307 /nfs/dbraw/zinc/55/63/07/1063556307.db2.gz TTWHVAQHLDVLBQ-FQEVSTJZSA-N 2 1 475.707 2.913 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001295520173 1063556322 /nfs/dbraw/zinc/55/63/22/1063556322.db2.gz TTWHVAQHLDVLBQ-FQEVSTJZSA-N 2 1 475.707 2.913 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295525186 1063563477 /nfs/dbraw/zinc/56/34/77/1063563477.db2.gz VOPIZTNWUBDPGE-IBGZPJMESA-N 2 1 464.561 2.799 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295525186 1063563491 /nfs/dbraw/zinc/56/34/91/1063563491.db2.gz VOPIZTNWUBDPGE-IBGZPJMESA-N 2 1 464.561 2.799 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295528770 1063566276 /nfs/dbraw/zinc/56/62/76/1063566276.db2.gz UZJHMXJIJZABMN-GOSISDBHSA-N 2 1 450.990 2.990 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295528770 1063566290 /nfs/dbraw/zinc/56/62/90/1063566290.db2.gz UZJHMXJIJZABMN-GOSISDBHSA-N 2 1 450.990 2.990 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001295560763 1063594453 /nfs/dbraw/zinc/59/44/53/1063594453.db2.gz YVPRVEGHNDKKKR-GGPKGHCWSA-N 2 1 459.664 2.904 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295564351 1063597945 /nfs/dbraw/zinc/59/79/45/1063597945.db2.gz UPRKQGGUGSOQOI-IRLDBZIGSA-N 2 1 458.626 2.897 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001295566447 1063599998 /nfs/dbraw/zinc/59/99/98/1063599998.db2.gz UNMQYVXYQIZYSG-DENIHFKCSA-N 2 1 472.682 2.575 20 0 JFADMP CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288730 1063651459 /nfs/dbraw/zinc/65/14/59/1063651459.db2.gz XUPXEZNKHAXNBA-QHCPKHFHSA-N 2 1 475.726 2.897 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC001291292564 1063675876 /nfs/dbraw/zinc/67/58/76/1063675876.db2.gz GHLFFOPATOYWEZ-FGZHOGPDSA-N 2 1 486.709 2.812 20 0 JFADMP C[C@@H]1C[N@@H+](CCCn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294521 1063690537 /nfs/dbraw/zinc/69/05/37/1063690537.db2.gz KXTGFCLPVWFUDX-OAQYLSRUSA-N 2 1 462.683 2.625 20 0 JFADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC001295821648 1063827957 /nfs/dbraw/zinc/82/79/57/1063827957.db2.gz SGPYXNXLDRSFTQ-ZRZAMGCNSA-N 2 1 467.662 2.715 20 0 JFADMP CC[NH+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC001295821648 1063827971 /nfs/dbraw/zinc/82/79/71/1063827971.db2.gz SGPYXNXLDRSFTQ-ZRZAMGCNSA-N 2 1 467.662 2.715 20 0 JFADMP CC[NH+](CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC001295821648 1063827978 /nfs/dbraw/zinc/82/79/78/1063827978.db2.gz SGPYXNXLDRSFTQ-ZRZAMGCNSA-N 2 1 467.662 2.715 20 0 JFADMP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864615 /nfs/dbraw/zinc/86/46/15/1063864615.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864626 /nfs/dbraw/zinc/86/46/26/1063864626.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)C ZINC001295844908 1063864637 /nfs/dbraw/zinc/86/46/37/1063864637.db2.gz GSXDVRDFBZYONP-HSZRJFAPSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846346 1063868120 /nfs/dbraw/zinc/86/81/20/1063868120.db2.gz RPGLCDKIUUWFBI-WIYYLYMNSA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846346 1063868125 /nfs/dbraw/zinc/86/81/25/1063868125.db2.gz RPGLCDKIUUWFBI-WIYYLYMNSA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846346 1063868132 /nfs/dbraw/zinc/86/81/32/1063868132.db2.gz RPGLCDKIUUWFBI-WIYYLYMNSA-N 2 1 499.626 2.809 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854399 1063882780 /nfs/dbraw/zinc/88/27/80/1063882780.db2.gz VTLLQOOXLFPEAF-ZRBLBEILSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854399 1063882794 /nfs/dbraw/zinc/88/27/94/1063882794.db2.gz VTLLQOOXLFPEAF-ZRBLBEILSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C(C)C ZINC001295854399 1063882801 /nfs/dbraw/zinc/88/28/01/1063882801.db2.gz VTLLQOOXLFPEAF-ZRBLBEILSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@@H](C)C1)C(C)C ZINC001295856474 1063886953 /nfs/dbraw/zinc/88/69/53/1063886953.db2.gz MDRGRDIUUDPKQK-SFTDATJTSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC001295856474 1063886967 /nfs/dbraw/zinc/88/69/67/1063886967.db2.gz MDRGRDIUUDPKQK-SFTDATJTSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C(C)C ZINC001295856474 1063886984 /nfs/dbraw/zinc/88/69/84/1063886984.db2.gz MDRGRDIUUDPKQK-SFTDATJTSA-N 2 1 493.697 2.847 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001291438044 1064017877 /nfs/dbraw/zinc/01/78/77/1064017877.db2.gz WEJHICARNVBGOD-HXUWFJFHSA-N 2 1 450.672 2.697 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975795 1064020290 /nfs/dbraw/zinc/02/02/90/1064020290.db2.gz FDGZERBSORPMMC-WOJBJXKFSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975795 1064020296 /nfs/dbraw/zinc/02/02/96/1064020296.db2.gz FDGZERBSORPMMC-WOJBJXKFSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975795 1064020299 /nfs/dbraw/zinc/02/02/99/1064020299.db2.gz FDGZERBSORPMMC-WOJBJXKFSA-N 2 1 468.650 2.966 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295976630 1064022618 /nfs/dbraw/zinc/02/26/18/1064022618.db2.gz HUINMYASCDUKKX-PKTZIBPZSA-N 2 1 496.704 2.548 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001295977443 1064024011 /nfs/dbraw/zinc/02/40/11/1064024011.db2.gz KQMCRNFHULMJFC-UXHICEINSA-N 2 1 468.650 2.647 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024350 /nfs/dbraw/zinc/02/43/50/1064024350.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024357 /nfs/dbraw/zinc/02/43/57/1064024357.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024366 /nfs/dbraw/zinc/02/43/66/1064024366.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001295977594 1064024372 /nfs/dbraw/zinc/02/43/72/1064024372.db2.gz OTUVDTMCCIENDF-PMACEKPBSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001295978636 1064026176 /nfs/dbraw/zinc/02/61/76/1064026176.db2.gz MXKOKQWMUSEGHX-SLFFLAALSA-N 2 1 456.639 2.821 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001295982014 1064032531 /nfs/dbraw/zinc/03/25/31/1064032531.db2.gz VZHURBVXKRREFH-FKBYEOEOSA-N 2 1 459.683 2.945 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001295996212 1064052310 /nfs/dbraw/zinc/05/23/10/1064052310.db2.gz NAHMRJHQBGLKNL-WOJBJXKFSA-N 2 1 466.634 2.586 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001296008789 1064062346 /nfs/dbraw/zinc/06/23/46/1064062346.db2.gz BJQUSAMNUZENOB-QHAWAJNXSA-N 2 1 454.623 2.955 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009924 1064067370 /nfs/dbraw/zinc/06/73/70/1064067370.db2.gz NVBDUFSHGDYFGY-DXIQSLLYSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009924 1064067380 /nfs/dbraw/zinc/06/73/80/1064067380.db2.gz NVBDUFSHGDYFGY-DXIQSLLYSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@@](C)(O)C(C)C)C[C@H]1C ZINC001296011879 1064072020 /nfs/dbraw/zinc/07/20/20/1064072020.db2.gz XGRMLDOKCAIRNO-FMGHJNRGSA-N 2 1 497.732 2.969 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296013584 1064074563 /nfs/dbraw/zinc/07/45/63/1064074563.db2.gz OEBRMOIGSFVZGX-KOORYGTMSA-N 2 1 492.709 2.809 20 0 JFADMP CC[NH+]1CCC(CCn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)CC1 ZINC001296031311 1064089477 /nfs/dbraw/zinc/08/94/77/1064089477.db2.gz UIPWOFLFSMUTAW-DEOSSOPVSA-N 2 1 489.753 2.929 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001296033030 1064091075 /nfs/dbraw/zinc/09/10/75/1064091075.db2.gz IIATVSPALOFXTC-LJQANCHMSA-N 2 1 454.623 2.578 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC001296033030 1064091085 /nfs/dbraw/zinc/09/10/85/1064091085.db2.gz IIATVSPALOFXTC-LJQANCHMSA-N 2 1 454.623 2.578 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC001296033030 1064091092 /nfs/dbraw/zinc/09/10/92/1064091092.db2.gz IIATVSPALOFXTC-LJQANCHMSA-N 2 1 454.623 2.578 20 0 JFADMP CC[N@@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071492 1064136028 /nfs/dbraw/zinc/13/60/28/1064136028.db2.gz HQQFYGCJPGFQHK-LVCYWYKZSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071492 1064136038 /nfs/dbraw/zinc/13/60/38/1064136038.db2.gz HQQFYGCJPGFQHK-LVCYWYKZSA-N 2 1 461.680 2.664 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071492 1064136044 /nfs/dbraw/zinc/13/60/44/1064136044.db2.gz HQQFYGCJPGFQHK-LVCYWYKZSA-N 2 1 461.680 2.664 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071492 1064136047 /nfs/dbraw/zinc/13/60/47/1064136047.db2.gz HQQFYGCJPGFQHK-LVCYWYKZSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001296093677 1064165984 /nfs/dbraw/zinc/16/59/84/1064165984.db2.gz PVJQTJIDFOWSOG-NRFANRHFSA-N 2 1 459.683 2.833 20 0 JFADMP CC[C@@H](C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001291644092 1064196840 /nfs/dbraw/zinc/19/68/40/1064196840.db2.gz UCIICLDQZHNIHV-ZLNRFVROSA-N 2 1 475.726 2.633 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccn4C)n3CCC[N@H+](C)C(C)C)CC2)CC1 ZINC001296119053 1064203111 /nfs/dbraw/zinc/20/31/11/1064203111.db2.gz OAUMZQVANCNMJD-UHFFFAOYSA-N 2 1 498.720 2.785 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccn4C)n3CCC[N@@H+](C)C(C)C)CC2)CC1 ZINC001296119053 1064203120 /nfs/dbraw/zinc/20/31/20/1064203120.db2.gz OAUMZQVANCNMJD-UHFFFAOYSA-N 2 1 498.720 2.785 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142455 1064249533 /nfs/dbraw/zinc/24/95/33/1064249533.db2.gz LOFLTDQNKLUJPB-FSSWDIPSSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142455 1064249540 /nfs/dbraw/zinc/24/95/40/1064249540.db2.gz LOFLTDQNKLUJPB-FSSWDIPSSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142455 1064249546 /nfs/dbraw/zinc/24/95/46/1064249546.db2.gz LOFLTDQNKLUJPB-FSSWDIPSSA-N 2 1 470.662 2.979 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291767949 1064250306 /nfs/dbraw/zinc/25/03/06/1064250306.db2.gz PJWNQHURDOIBOG-QFIPXVFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291767949 1064250309 /nfs/dbraw/zinc/25/03/09/1064250309.db2.gz PJWNQHURDOIBOG-QFIPXVFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291767949 1064250315 /nfs/dbraw/zinc/25/03/15/1064250315.db2.gz PJWNQHURDOIBOG-QFIPXVFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291767949 1064250317 /nfs/dbraw/zinc/25/03/17/1064250317.db2.gz PJWNQHURDOIBOG-QFIPXVFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772955 1064256644 /nfs/dbraw/zinc/25/66/44/1064256644.db2.gz CUTHSZBVLGXCGH-INAZGPRKSA-N 2 1 480.723 2.611 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772955 1064256649 /nfs/dbraw/zinc/25/66/49/1064256649.db2.gz CUTHSZBVLGXCGH-INAZGPRKSA-N 2 1 480.723 2.611 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772956 1064256727 /nfs/dbraw/zinc/25/67/27/1064256727.db2.gz CUTHSZBVLGXCGH-PWAJEDTMSA-N 2 1 480.723 2.611 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772956 1064256733 /nfs/dbraw/zinc/25/67/33/1064256733.db2.gz CUTHSZBVLGXCGH-PWAJEDTMSA-N 2 1 480.723 2.611 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296147079 1064257731 /nfs/dbraw/zinc/25/77/31/1064257731.db2.gz NEKAHLBEBWCFHN-WOJBJXKFSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296147079 1064257734 /nfs/dbraw/zinc/25/77/34/1064257734.db2.gz NEKAHLBEBWCFHN-WOJBJXKFSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296147079 1064257743 /nfs/dbraw/zinc/25/77/43/1064257743.db2.gz NEKAHLBEBWCFHN-WOJBJXKFSA-N 2 1 474.675 2.611 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296147077 1064258008 /nfs/dbraw/zinc/25/80/08/1064258008.db2.gz NEKAHLBEBWCFHN-UXHICEINSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296147077 1064258013 /nfs/dbraw/zinc/25/80/13/1064258013.db2.gz NEKAHLBEBWCFHN-UXHICEINSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296147077 1064258018 /nfs/dbraw/zinc/25/80/18/1064258018.db2.gz NEKAHLBEBWCFHN-UXHICEINSA-N 2 1 474.675 2.611 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296148280 1064259396 /nfs/dbraw/zinc/25/93/96/1064259396.db2.gz VNRZXYXTLIKGHR-PMACEKPBSA-N 2 1 454.623 2.578 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291774024 1064261329 /nfs/dbraw/zinc/26/13/29/1064261329.db2.gz WQTZUZMBPOJHJX-LJQANCHMSA-N 2 1 480.661 2.843 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774666 1064263009 /nfs/dbraw/zinc/26/30/09/1064263009.db2.gz QBXLQCUTAUTNEX-IRLDBZIGSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291774666 1064263016 /nfs/dbraw/zinc/26/30/16/1064263016.db2.gz QBXLQCUTAUTNEX-IRLDBZIGSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291774666 1064263020 /nfs/dbraw/zinc/26/30/20/1064263020.db2.gz QBXLQCUTAUTNEX-IRLDBZIGSA-N 2 1 458.655 2.696 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296154359 1064264320 /nfs/dbraw/zinc/26/43/20/1064264320.db2.gz LRERJYNECUQUTI-ZWKOTPCHSA-N 2 1 477.451 2.959 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296154359 1064264329 /nfs/dbraw/zinc/26/43/29/1064264329.db2.gz LRERJYNECUQUTI-ZWKOTPCHSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296154359 1064264336 /nfs/dbraw/zinc/26/43/36/1064264336.db2.gz LRERJYNECUQUTI-ZWKOTPCHSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296154359 1064264342 /nfs/dbraw/zinc/26/43/42/1064264342.db2.gz LRERJYNECUQUTI-ZWKOTPCHSA-N 2 1 477.451 2.959 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001296156368 1064268501 /nfs/dbraw/zinc/26/85/01/1064268501.db2.gz UBANYXDEMHHCPF-IBGZPJMESA-N 2 1 453.591 2.709 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273525 /nfs/dbraw/zinc/27/35/25/1064273525.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 1 457.642 2.564 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273536 /nfs/dbraw/zinc/27/35/36/1064273536.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 1 457.642 2.564 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1C ZINC001296159315 1064273547 /nfs/dbraw/zinc/27/35/47/1064273547.db2.gz ABPSIAYUGCVGTA-HXUWFJFHSA-N 2 1 457.642 2.564 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291782957 1064274667 /nfs/dbraw/zinc/27/46/67/1064274667.db2.gz WAZSPZDXYFILIB-WPFOTENUSA-N 2 1 454.663 2.951 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291782957 1064274676 /nfs/dbraw/zinc/27/46/76/1064274676.db2.gz WAZSPZDXYFILIB-WPFOTENUSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277622 /nfs/dbraw/zinc/27/76/22/1064277622.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277631 /nfs/dbraw/zinc/27/76/31/1064277631.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163247 1064277639 /nfs/dbraw/zinc/27/76/39/1064277639.db2.gz SMXZOQBFZPOBIA-UNMCSNQZSA-N 2 1 458.626 2.895 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302407 /nfs/dbraw/zinc/30/24/07/1064302407.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302426 /nfs/dbraw/zinc/30/24/26/1064302426.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296174999 1064302443 /nfs/dbraw/zinc/30/24/43/1064302443.db2.gz URYXLUKGKVGWDR-FCHUYYIVSA-N 2 1 486.661 2.753 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174813 1064302972 /nfs/dbraw/zinc/30/29/72/1064302972.db2.gz RWRMNIDNWXYNEU-UPVQGACJSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174813 1064302977 /nfs/dbraw/zinc/30/29/77/1064302977.db2.gz RWRMNIDNWXYNEU-UPVQGACJSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001296174813 1064302995 /nfs/dbraw/zinc/30/29/95/1064302995.db2.gz RWRMNIDNWXYNEU-UPVQGACJSA-N 2 1 497.688 2.639 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303438 /nfs/dbraw/zinc/30/34/38/1064303438.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303446 /nfs/dbraw/zinc/30/34/46/1064303446.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296175001 1064303458 /nfs/dbraw/zinc/30/34/58/1064303458.db2.gz URYXLUKGKVGWDR-VXKWHMMOSA-N 2 1 486.661 2.753 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181852 1064318462 /nfs/dbraw/zinc/31/84/62/1064318462.db2.gz FLLICMMMARYFAI-GMAHTHKFSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181851 1064318535 /nfs/dbraw/zinc/31/85/35/1064318535.db2.gz FLLICMMMARYFAI-GGAORHGYSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296182381 1064323235 /nfs/dbraw/zinc/32/32/35/1064323235.db2.gz RINFQFPNCQGUMX-IFMALSPDSA-N 2 1 459.708 2.877 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296190684 1064339492 /nfs/dbraw/zinc/33/94/92/1064339492.db2.gz DUQZMJXRMQZZNI-ACRUOGEOSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296190684 1064339508 /nfs/dbraw/zinc/33/95/08/1064339508.db2.gz DUQZMJXRMQZZNI-ACRUOGEOSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296190684 1064339518 /nfs/dbraw/zinc/33/95/18/1064339518.db2.gz DUQZMJXRMQZZNI-ACRUOGEOSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(-c3cccnc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296194096 1064354141 /nfs/dbraw/zinc/35/41/41/1064354141.db2.gz BANHSKRHABUYGH-UHFFFAOYSA-N 2 1 454.667 2.725 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296197394 1064374123 /nfs/dbraw/zinc/37/41/23/1064374123.db2.gz XVSADGYYWCOVOS-HSZRJFAPSA-N 2 1 499.752 2.647 20 0 JFADMP CCN1CC[NH+](CCCCn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC001296203463 1064381434 /nfs/dbraw/zinc/38/14/34/1064381434.db2.gz NROKEPAHYZNQBO-HSZRJFAPSA-N 2 1 489.753 2.974 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC001296203463 1064381445 /nfs/dbraw/zinc/38/14/45/1064381445.db2.gz NROKEPAHYZNQBO-HSZRJFAPSA-N 2 1 489.753 2.974 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(CC(C)(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC001296203463 1064381456 /nfs/dbraw/zinc/38/14/56/1064381456.db2.gz NROKEPAHYZNQBO-HSZRJFAPSA-N 2 1 489.753 2.974 20 0 JFADMP CCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)[NH+](C)C)c2ccccc2c1=O ZINC001296218954 1064431657 /nfs/dbraw/zinc/43/16/57/1064431657.db2.gz GEJROFIDCNLSNB-LJQANCHMSA-N 2 1 466.634 2.546 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291966821 1064580719 /nfs/dbraw/zinc/58/07/19/1064580719.db2.gz DGHPKTZYUYBZAW-DHIUTWEWSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291966821 1064580729 /nfs/dbraw/zinc/58/07/29/1064580729.db2.gz DGHPKTZYUYBZAW-DHIUTWEWSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)[NH+](C)C ZINC001291975765 1064591418 /nfs/dbraw/zinc/59/14/18/1064591418.db2.gz YRIJVXGMKYMKDW-FOVJLYNBSA-N 2 1 473.710 2.586 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292019384 1064657636 /nfs/dbraw/zinc/65/76/36/1064657636.db2.gz FBMFXSIGZJSBPQ-GBESFXJTSA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292019384 1064657643 /nfs/dbraw/zinc/65/76/43/1064657643.db2.gz FBMFXSIGZJSBPQ-GBESFXJTSA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC[NH+]1CCCC1 ZINC001292055447 1064724309 /nfs/dbraw/zinc/72/43/09/1064724309.db2.gz LHEVQPKVBLNPQI-OYRHEFFESA-N 2 1 489.709 2.618 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292126679 1064876939 /nfs/dbraw/zinc/87/69/39/1064876939.db2.gz NJZHSAOVELMGHX-GGAORHGYSA-N 2 1 489.709 2.618 20 0 JFADMP CCc1ccc(-c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001292520902 1065246887 /nfs/dbraw/zinc/24/68/87/1065246887.db2.gz XIVYDUACSKBNQP-JOCHJYFZSA-N 2 1 484.689 2.900 20 0 JFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC001292583127 1065298905 /nfs/dbraw/zinc/29/89/05/1065298905.db2.gz YYXBLTXHVRZXRM-FQEVSTJZSA-N 2 1 451.619 2.701 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001292894368 1065596011 /nfs/dbraw/zinc/59/60/11/1065596011.db2.gz XGNUJDGLIJFDTG-GRSYGWAWSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001293068382 1065720123 /nfs/dbraw/zinc/72/01/23/1065720123.db2.gz FUXYDANNCNWIQR-UHFFFAOYSA-N 2 1 459.683 2.630 20 0 JFADMP CCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CCC[N@@H+](C)C1CCCCC1 ZINC001293068382 1065720138 /nfs/dbraw/zinc/72/01/38/1065720138.db2.gz FUXYDANNCNWIQR-UHFFFAOYSA-N 2 1 459.683 2.630 20 0 JFADMP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCC[NH+](C)C1CCCCC1 ZINC001293068382 1065720151 /nfs/dbraw/zinc/72/01/51/1065720151.db2.gz FUXYDANNCNWIQR-UHFFFAOYSA-N 2 1 459.683 2.630 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCC[NH+](C)C1CCCCC1 ZINC001293068382 1065720165 /nfs/dbraw/zinc/72/01/65/1065720165.db2.gz FUXYDANNCNWIQR-UHFFFAOYSA-N 2 1 459.683 2.630 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCCN1CC[NH+](CC)CC1 ZINC001293068664 1065721728 /nfs/dbraw/zinc/72/17/28/1065721728.db2.gz KVJFOBALOBZBIM-UHFFFAOYSA-N 2 1 457.642 2.720 20 0 JFADMP CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293068664 1065721736 /nfs/dbraw/zinc/72/17/36/1065721736.db2.gz KVJFOBALOBZBIM-UHFFFAOYSA-N 2 1 457.642 2.720 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCC[NH+]1CCN(CC)CC1 ZINC001293068664 1065721745 /nfs/dbraw/zinc/72/17/45/1065721745.db2.gz KVJFOBALOBZBIM-UHFFFAOYSA-N 2 1 457.642 2.720 20 0 JFADMP CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293123107 1065775638 /nfs/dbraw/zinc/77/56/38/1065775638.db2.gz FGIYTCBPZYYKOK-QFIPXVFZSA-N 2 1 470.662 2.667 20 0 JFADMP CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001293124545 1065777178 /nfs/dbraw/zinc/77/71/78/1065777178.db2.gz VHYKVIPRYHCACU-JOCHJYFZSA-N 2 1 470.662 2.667 20 0 JFADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)cc1 ZINC001293203499 1065831047 /nfs/dbraw/zinc/83/10/47/1065831047.db2.gz JOXSACLUFNZHJM-VPUSJEBWSA-N 2 1 451.611 2.824 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293553598 1066068264 /nfs/dbraw/zinc/06/82/64/1066068264.db2.gz QWYFXHNLWALGLF-AVRDEDQJSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293553598 1066068273 /nfs/dbraw/zinc/06/82/73/1066068273.db2.gz QWYFXHNLWALGLF-AVRDEDQJSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001293560324 1066075264 /nfs/dbraw/zinc/07/52/64/1066075264.db2.gz JEIJEMKZENBGDH-ZEQRLZLVSA-N 2 1 470.662 2.849 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293562580 1066075811 /nfs/dbraw/zinc/07/58/11/1066075811.db2.gz VFGWTTFEQOXRRS-URXFXBBRSA-N 2 1 458.676 2.929 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001293563440 1066076687 /nfs/dbraw/zinc/07/66/87/1066076687.db2.gz AKVNYRMEOWRBBK-QFIPXVFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001293566137 1066078379 /nfs/dbraw/zinc/07/83/79/1066078379.db2.gz CPYFDJMSAWOMBL-LEWJYISDSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001293566137 1066078388 /nfs/dbraw/zinc/07/83/88/1066078388.db2.gz CPYFDJMSAWOMBL-LEWJYISDSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001293566137 1066078395 /nfs/dbraw/zinc/07/83/95/1066078395.db2.gz CPYFDJMSAWOMBL-LEWJYISDSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC001293566140 1066078433 /nfs/dbraw/zinc/07/84/33/1066078433.db2.gz CPYFDJMSAWOMBL-SFTDATJTSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC001293566140 1066078444 /nfs/dbraw/zinc/07/84/44/1066078444.db2.gz CPYFDJMSAWOMBL-SFTDATJTSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC001293566140 1066078453 /nfs/dbraw/zinc/07/84/53/1066078453.db2.gz CPYFDJMSAWOMBL-SFTDATJTSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001293592704 1066098586 /nfs/dbraw/zinc/09/85/86/1066098586.db2.gz CVWYRDJZDHJFHG-YMPZKCBVSA-N 2 1 474.625 2.771 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293601198 1066117551 /nfs/dbraw/zinc/11/75/51/1066117551.db2.gz UPHCDGCFARUGMG-NHCUHLMSSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001293612237 1066127430 /nfs/dbraw/zinc/12/74/30/1066127430.db2.gz KRNBWXXBUDRMOT-QHCPKHFHSA-N 2 1 455.651 2.543 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC(C)C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293633188 1066148098 /nfs/dbraw/zinc/14/80/98/1066148098.db2.gz YUNNVWZXYLSRKQ-SMIHKQSGSA-N 2 1 486.709 2.663 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC001294065674 1066536155 /nfs/dbraw/zinc/53/61/55/1066536155.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC001294065674 1066536165 /nfs/dbraw/zinc/53/61/65/1066536165.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294065674 1066536172 /nfs/dbraw/zinc/53/61/72/1066536172.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC001294065674 1066536184 /nfs/dbraw/zinc/53/61/84/1066536184.db2.gz FIZUSSCKFMXMHD-FYYLOGMGSA-N 2 1 456.635 2.603 20 0 JFADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3Cc4ncnn4C4(CC[NH2+]CC4)C3)c2c1C ZINC001164414988 718885597 /nfs/dbraw/zinc/88/55/97/718885597.db2.gz CRLQWYGORSBMQR-UHFFFAOYSA-N 2 1 452.632 2.984 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164423056 718944336 /nfs/dbraw/zinc/94/43/36/718944336.db2.gz DAPFWTLWYYVKMW-ZHRMCQFGSA-N 2 1 463.626 2.956 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164423048 718944403 /nfs/dbraw/zinc/94/44/03/718944403.db2.gz DAPFWTLWYYVKMW-JLGINSKQSA-N 2 1 463.626 2.956 20 0 JFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618264 719016830 /nfs/dbraw/zinc/01/68/30/719016830.db2.gz RSUQTNNATOUCPC-BPQIPLTHSA-N 2 1 455.628 2.896 20 0 JFADMP C[N@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164667818 719426923 /nfs/dbraw/zinc/42/69/23/719426923.db2.gz HIXZVKOQBKGMHB-UXHICEINSA-N 2 1 468.985 2.916 20 0 JFADMP CC[C@H]1C(=O)Nc2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681642 719621422 /nfs/dbraw/zinc/62/14/22/719621422.db2.gz KCPYGOYOBDBRED-FQEVSTJZSA-N 2 1 452.607 2.628 20 0 JFADMP CC[C@H]1C(=O)Nc2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681642 719621438 /nfs/dbraw/zinc/62/14/38/719621438.db2.gz KCPYGOYOBDBRED-FQEVSTJZSA-N 2 1 452.607 2.628 20 0 JFADMP Cc1nc(N(C)C)cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164680667 719658097 /nfs/dbraw/zinc/65/80/97/719658097.db2.gz HDXHPSHFSOBUGQ-HXUWFJFHSA-N 2 1 450.631 2.944 20 0 JFADMP Cc1nc(N(C)C)cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]1 ZINC001164680662 719658714 /nfs/dbraw/zinc/65/87/14/719658714.db2.gz HDXHPSHFSOBUGQ-FQEVSTJZSA-N 2 1 450.631 2.944 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3C1CCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719480 720184697 /nfs/dbraw/zinc/18/46/97/720184697.db2.gz VIWJHNNTSCPDBP-OAQYLSRUSA-N 2 1 450.591 2.891 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719179 720184961 /nfs/dbraw/zinc/18/49/61/720184961.db2.gz TXTMZPFSQZLTIQ-QHCPKHFHSA-N 2 1 490.587 2.963 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716501 720186118 /nfs/dbraw/zinc/18/61/18/720186118.db2.gz FXMJHVOOPUFMKL-QHCPKHFHSA-N 2 1 490.587 2.963 20 0 JFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744538 720820894 /nfs/dbraw/zinc/82/08/94/720820894.db2.gz VDLOOFVQCDWRFU-IRFCIJBXSA-N 2 1 457.026 2.568 20 0 JFADMP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750056 720869529 /nfs/dbraw/zinc/86/95/29/720869529.db2.gz INQTVEAZCNLTFB-NLFFAJNJSA-N 2 1 469.033 2.926 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccc[nH+]c1 ZINC001164754579 720876453 /nfs/dbraw/zinc/87/64/53/720876453.db2.gz SBGZXPKJRXSEQY-FQRUVTKNSA-N 2 1 476.581 2.846 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccc[nH+]c1 ZINC001164754579 720876455 /nfs/dbraw/zinc/87/64/55/720876455.db2.gz SBGZXPKJRXSEQY-FQRUVTKNSA-N 2 1 476.581 2.846 20 0 JFADMP Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748541 720876967 /nfs/dbraw/zinc/87/69/67/720876967.db2.gz FVGSFQRPCMLSQT-NBGIEHNGSA-N 2 1 469.033 2.926 20 0 JFADMP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164753373 720896398 /nfs/dbraw/zinc/89/63/98/720896398.db2.gz GSGUFSYXERHFTF-LSYYVWMOSA-N 2 1 476.669 2.984 20 0 JFADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750641 720900377 /nfs/dbraw/zinc/90/03/77/720900377.db2.gz BLSDDNJCHXMOLA-RPLLCQBOSA-N 2 1 462.642 2.641 20 0 JFADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750635 720900832 /nfs/dbraw/zinc/90/08/32/720900832.db2.gz BLSDDNJCHXMOLA-IGKIAQTJSA-N 2 1 462.642 2.641 20 0 JFADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747861 720913997 /nfs/dbraw/zinc/91/39/97/720913997.db2.gz DPFXXTBUBWDUGY-WNCULLNHSA-N 2 1 478.641 2.758 20 0 JFADMP CCc1cc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164785717 721462809 /nfs/dbraw/zinc/46/28/09/721462809.db2.gz NAFVINHHDAEVCM-HSZRJFAPSA-N 2 1 473.662 2.610 20 0 JFADMP C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(C4=CC[NH2+]CC4)c2)CC3)CC1 ZINC001165002058 722240156 /nfs/dbraw/zinc/24/01/56/722240156.db2.gz BIOQPTDSACVFNW-UHFFFAOYSA-N 2 1 490.002 2.804 20 0 JFADMP COc1ccc(CN(C)c2cc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)n2)cc1 ZINC001165003424 722257647 /nfs/dbraw/zinc/25/76/47/722257647.db2.gz CJSZMPAVNQWMAO-UHFFFAOYSA-N 2 1 465.602 2.807 20 0 JFADMP C[NH+](C)CCOc1ccc(/C=C\C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC001264765164 1059667017 /nfs/dbraw/zinc/66/70/17/1059667017.db2.gz MUWCLZAXGICUOS-JYRVWZFOSA-N 2 1 450.583 2.595 20 0 JFADMP Cc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001289595808 1061239312 /nfs/dbraw/zinc/23/93/12/1061239312.db2.gz RLQHOQCNSIVAAE-OAQYLSRUSA-N 2 1 471.650 2.708 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@H]2C)CC1 ZINC001286868459 1061256729 /nfs/dbraw/zinc/25/67/29/1061256729.db2.gz AHWAWGBGQXQWCJ-IFMALSPDSA-N 2 1 473.710 2.730 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286886612 1061329805 /nfs/dbraw/zinc/32/98/05/1061329805.db2.gz GFWQUIHQGNADSH-MDNUFGMLSA-N 2 1 473.710 2.685 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886704 1061330948 /nfs/dbraw/zinc/33/09/48/1061330948.db2.gz HRVPQSJDUDYGBO-JQYIIUTOSA-N 2 1 495.716 2.986 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886704 1061330968 /nfs/dbraw/zinc/33/09/68/1061330968.db2.gz HRVPQSJDUDYGBO-JQYIIUTOSA-N 2 1 495.716 2.986 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286887468 1061336663 /nfs/dbraw/zinc/33/66/63/1061336663.db2.gz RNTWRFMIRYQLQG-MDNUFGMLSA-N 2 1 459.683 2.511 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCCCC[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286887572 1061337599 /nfs/dbraw/zinc/33/75/99/1061337599.db2.gz SPQDRXQOLUUEAZ-GMAHTHKFSA-N 2 1 459.683 2.656 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@@H+](C)C(C)C)cc1C ZINC001289732452 1061342067 /nfs/dbraw/zinc/34/20/67/1061342067.db2.gz FOSAZOSVPIGDBD-JOCHJYFZSA-N 2 1 483.661 2.646 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cc1C ZINC001289732452 1061342086 /nfs/dbraw/zinc/34/20/86/1061342086.db2.gz FOSAZOSVPIGDBD-JOCHJYFZSA-N 2 1 483.661 2.646 20 0 JFADMP Cc1cccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001289930620 1061619996 /nfs/dbraw/zinc/61/99/96/1061619996.db2.gz AOERNDFPJFYUBA-UHFFFAOYSA-N 2 1 455.651 2.927 20 0 JFADMP Cc1cccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)n1 ZINC001289930620 1061620008 /nfs/dbraw/zinc/62/00/08/1061620008.db2.gz AOERNDFPJFYUBA-UHFFFAOYSA-N 2 1 455.651 2.927 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001294215087 1061724200 /nfs/dbraw/zinc/72/42/00/1061724200.db2.gz PXKCQPIGGCJKBY-LJQANCHMSA-N 2 1 490.722 2.809 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294215087 1061724226 /nfs/dbraw/zinc/72/42/26/1061724226.db2.gz PXKCQPIGGCJKBY-LJQANCHMSA-N 2 1 490.722 2.809 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294215087 1061724249 /nfs/dbraw/zinc/72/42/49/1061724249.db2.gz PXKCQPIGGCJKBY-LJQANCHMSA-N 2 1 490.722 2.809 20 0 JFADMP CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294306115 1061793385 /nfs/dbraw/zinc/79/33/85/1061793385.db2.gz GIGPGLJLKTUXGI-QFIPXVFZSA-N 2 1 489.709 2.716 20 0 JFADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294306115 1061793406 /nfs/dbraw/zinc/79/34/06/1061793406.db2.gz GIGPGLJLKTUXGI-QFIPXVFZSA-N 2 1 489.709 2.716 20 0 JFADMP CCCC[NH+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001294306115 1061793422 /nfs/dbraw/zinc/79/34/22/1061793422.db2.gz GIGPGLJLKTUXGI-QFIPXVFZSA-N 2 1 489.709 2.716 20 0 JFADMP CCCC[NH+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001294306115 1061793441 /nfs/dbraw/zinc/79/34/41/1061793441.db2.gz GIGPGLJLKTUXGI-QFIPXVFZSA-N 2 1 489.709 2.716 20 0 JFADMP Cc1ccccc1Cc1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC[NH+]1CC=CCC1 ZINC001290152452 1061894155 /nfs/dbraw/zinc/89/41/55/1061894155.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 2 1 452.647 2.986 20 0 JFADMP Cc1ccccc1Cc1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC[NH+]1CC=CCC1 ZINC001290152452 1061894180 /nfs/dbraw/zinc/89/41/80/1061894180.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 2 1 452.647 2.986 20 0 JFADMP Cc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC[N@H+]1CC=CCC1 ZINC001290152452 1061894197 /nfs/dbraw/zinc/89/41/97/1061894197.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 2 1 452.647 2.986 20 0 JFADMP Cc1ccccc1Cc1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001290152452 1061894208 /nfs/dbraw/zinc/89/42/08/1061894208.db2.gz IXUCWRGVKYZBRT-UHFFFAOYSA-N 2 1 452.647 2.986 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001294516256 1062053624 /nfs/dbraw/zinc/05/36/24/1062053624.db2.gz QGBJYZWHZPJHAV-IFMALSPDSA-N 2 1 453.635 2.672 20 0 JFADMP CCC[NH+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001294516256 1062053645 /nfs/dbraw/zinc/05/36/45/1062053645.db2.gz QGBJYZWHZPJHAV-IFMALSPDSA-N 2 1 453.635 2.672 20 0 JFADMP CCC[NH+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001294516256 1062053669 /nfs/dbraw/zinc/05/36/69/1062053669.db2.gz QGBJYZWHZPJHAV-IFMALSPDSA-N 2 1 453.635 2.672 20 0 JFADMP CCC[N@@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC001294527088 1062064186 /nfs/dbraw/zinc/06/41/86/1062064186.db2.gz LUOFYSKWEUVNRR-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001294527088 1062064207 /nfs/dbraw/zinc/06/42/07/1062064207.db2.gz LUOFYSKWEUVNRR-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC001294527088 1062064227 /nfs/dbraw/zinc/06/42/27/1062064227.db2.gz LUOFYSKWEUVNRR-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+]1CCC(Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001294638175 1062153040 /nfs/dbraw/zinc/15/30/40/1062153040.db2.gz OLHLMYMUUZLUAF-XMMPIXPASA-N 2 1 475.726 2.755 20 0 JFADMP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001294659754 1062208285 /nfs/dbraw/zinc/20/82/85/1062208285.db2.gz XSWQYWGAZBLPEE-URXFXBBRSA-N 2 1 487.737 2.978 20 0 JFADMP CCC[N@@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294663111 1062215068 /nfs/dbraw/zinc/21/50/68/1062215068.db2.gz QRCXWVNASJUTII-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294663111 1062215092 /nfs/dbraw/zinc/21/50/92/1062215092.db2.gz QRCXWVNASJUTII-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294663111 1062215114 /nfs/dbraw/zinc/21/51/14/1062215114.db2.gz QRCXWVNASJUTII-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294663111 1062215140 /nfs/dbraw/zinc/21/51/40/1062215140.db2.gz QRCXWVNASJUTII-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CC[NH+](CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294668798 1062224002 /nfs/dbraw/zinc/22/40/02/1062224002.db2.gz DCFUFGRIHIVYRT-RCZVLFRGSA-N 2 1 462.683 2.829 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294675601 1062237085 /nfs/dbraw/zinc/23/70/85/1062237085.db2.gz LBHLXVGCDPFAMK-DFBJGRDBSA-N 2 1 474.625 2.934 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001294683648 1062242938 /nfs/dbraw/zinc/24/29/38/1062242938.db2.gz KITJPHHMGLSVGQ-VWPQPMDRSA-N 2 1 459.683 2.908 20 0 JFADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294697093 1062258861 /nfs/dbraw/zinc/25/88/61/1062258861.db2.gz SZEJONBUMARNFV-MDNUFGMLSA-N 2 1 459.683 2.655 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294697093 1062258881 /nfs/dbraw/zinc/25/88/81/1062258881.db2.gz SZEJONBUMARNFV-MDNUFGMLSA-N 2 1 459.683 2.655 20 0 JFADMP Cc1[nH+]ccn1CCCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001290511333 1062310138 /nfs/dbraw/zinc/31/01/38/1062310138.db2.gz RBEOZBJPBJWXLJ-UHFFFAOYSA-N 2 1 456.639 2.668 20 0 JFADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294744183 1062335395 /nfs/dbraw/zinc/33/53/95/1062335395.db2.gz OGDOLOLVYISABK-XJUOHMSHSA-N 2 1 489.709 2.616 20 0 JFADMP CCC[NH+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294744183 1062335420 /nfs/dbraw/zinc/33/54/20/1062335420.db2.gz OGDOLOLVYISABK-XJUOHMSHSA-N 2 1 489.709 2.616 20 0 JFADMP CCC[NH+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294744183 1062335445 /nfs/dbraw/zinc/33/54/45/1062335445.db2.gz OGDOLOLVYISABK-XJUOHMSHSA-N 2 1 489.709 2.616 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001290563026 1062364728 /nfs/dbraw/zinc/36/47/28/1062364728.db2.gz HDPACOSFTRSXAY-LJQANCHMSA-N 2 1 456.683 2.980 20 0 JFADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001287185656 1062610959 /nfs/dbraw/zinc/61/09/59/1062610959.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 2 1 472.682 2.765 20 0 JFADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001287185656 1062610969 /nfs/dbraw/zinc/61/09/69/1062610969.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 2 1 472.682 2.765 20 0 JFADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001287185656 1062610978 /nfs/dbraw/zinc/61/09/78/1062610978.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 2 1 472.682 2.765 20 0 JFADMP CC(C)c1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001287185656 1062610989 /nfs/dbraw/zinc/61/09/89/1062610989.db2.gz LXAVMWWWQHDTBP-RBBKRZOGSA-N 2 1 472.682 2.765 20 0 JFADMP CC(C)c1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287195835 1062628017 /nfs/dbraw/zinc/62/80/17/1062628017.db2.gz CNAQKMHUBGICHZ-OYRHEFFESA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287213852 1062674151 /nfs/dbraw/zinc/67/41/51/1062674151.db2.gz FWSGCICQDSUMHS-WOJBJXKFSA-N 2 1 459.664 2.509 20 0 JFADMP CN1CC[N@@H+](CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714758 /nfs/dbraw/zinc/71/47/58/1062714758.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714778 /nfs/dbraw/zinc/71/47/78/1062714778.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714800 /nfs/dbraw/zinc/71/48/00/1062714800.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714825 /nfs/dbraw/zinc/71/48/25/1062714825.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714845 /nfs/dbraw/zinc/71/48/45/1062714845.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714864 /nfs/dbraw/zinc/71/48/64/1062714864.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC001290820284 1062714886 /nfs/dbraw/zinc/71/48/86/1062714886.db2.gz MICXTSPPSSYMSP-AHKZPQOWSA-N 2 1 450.627 2.509 20 0 JFADMP Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290872344 1062758313 /nfs/dbraw/zinc/75/83/13/1062758313.db2.gz ZFNXRXPBJRCKIS-GMAHTHKFSA-N 2 1 470.643 2.513 20 0 JFADMP Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001290872343 1062758387 /nfs/dbraw/zinc/75/83/87/1062758387.db2.gz ZFNXRXPBJRCKIS-GGAORHGYSA-N 2 1 470.643 2.513 20 0 JFADMP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001287340664 1062818300 /nfs/dbraw/zinc/81/83/00/1062818300.db2.gz HEVOKBJLYAHYCA-FGZHOGPDSA-N 2 1 458.655 2.552 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287456825 1062895342 /nfs/dbraw/zinc/89/53/42/1062895342.db2.gz RSIMQGKXYIINGH-QFIPXVFZSA-N 2 1 487.718 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287456825 1062895365 /nfs/dbraw/zinc/89/53/65/1062895365.db2.gz RSIMQGKXYIINGH-QFIPXVFZSA-N 2 1 487.718 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287461670 1062898979 /nfs/dbraw/zinc/89/89/79/1062898979.db2.gz ABNHZRAZMGOHNJ-LEWJYISDSA-N 2 1 473.691 2.584 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287463163 1062905033 /nfs/dbraw/zinc/90/50/33/1062905033.db2.gz WIAAIBGWFSPXBZ-UFPGJGBJSA-N 2 1 473.710 2.730 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)c1 ZINC001295126353 1062941494 /nfs/dbraw/zinc/94/14/94/1062941494.db2.gz FVKCLFVDIPPHDF-NRFANRHFSA-N 2 1 463.630 2.997 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)c1 ZINC001295126353 1062941519 /nfs/dbraw/zinc/94/15/19/1062941519.db2.gz FVKCLFVDIPPHDF-NRFANRHFSA-N 2 1 463.630 2.997 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(-c3ccccn3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)c1 ZINC001295126353 1062941541 /nfs/dbraw/zinc/94/15/41/1062941541.db2.gz FVKCLFVDIPPHDF-NRFANRHFSA-N 2 1 463.630 2.997 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001287740665 1063066173 /nfs/dbraw/zinc/06/61/73/1063066173.db2.gz ICCZEOGEFAKMCP-UHFFFAOYSA-N 2 1 468.650 2.968 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103371 1063080979 /nfs/dbraw/zinc/08/09/79/1063080979.db2.gz CQRBNYHWFCGWSE-WOJBJXKFSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103371 1063080998 /nfs/dbraw/zinc/08/09/98/1063080998.db2.gz CQRBNYHWFCGWSE-WOJBJXKFSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001291128894 1063167614 /nfs/dbraw/zinc/16/76/14/1063167614.db2.gz FKLWQFJSQSURBA-NRFANRHFSA-N 2 1 459.683 2.689 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291128894 1063167622 /nfs/dbraw/zinc/16/76/22/1063167622.db2.gz FKLWQFJSQSURBA-NRFANRHFSA-N 2 1 459.683 2.689 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291128894 1063167627 /nfs/dbraw/zinc/16/76/27/1063167627.db2.gz FKLWQFJSQSURBA-NRFANRHFSA-N 2 1 459.683 2.689 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CC=CCC2)CC1 ZINC001295327574 1063225126 /nfs/dbraw/zinc/22/51/26/1063225126.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 2 1 483.636 2.727 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3F)n2CC[NH+]2CC=CCC2)CC1 ZINC001295327574 1063225143 /nfs/dbraw/zinc/22/51/43/1063225143.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 2 1 483.636 2.727 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295327574 1063225164 /nfs/dbraw/zinc/22/51/64/1063225164.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 2 1 483.636 2.727 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3F)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295327574 1063225187 /nfs/dbraw/zinc/22/51/87/1063225187.db2.gz XZYLFUJCRNJNJF-UHFFFAOYSA-N 2 1 483.636 2.727 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144582 1063226274 /nfs/dbraw/zinc/22/62/74/1063226274.db2.gz QWZBWAGLLNEEMH-RJGXRXQPSA-N 2 1 469.678 2.930 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144582 1063226288 /nfs/dbraw/zinc/22/62/88/1063226288.db2.gz QWZBWAGLLNEEMH-RJGXRXQPSA-N 2 1 469.678 2.930 20 0 JFADMP CC(C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291179753 1063268763 /nfs/dbraw/zinc/26/87/63/1063268763.db2.gz LXSMKZDZDRBPOE-QFIPXVFZSA-N 2 1 459.683 2.689 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001295367029 1063330948 /nfs/dbraw/zinc/33/09/48/1063330948.db2.gz RVYVTCGWCWRPIH-HSALFYBXSA-N 2 1 476.691 2.998 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295374286 1063343238 /nfs/dbraw/zinc/34/32/38/1063343238.db2.gz WMCZEGBCWZEGGW-SLFFLAALSA-N 2 1 496.660 2.870 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001295374286 1063343252 /nfs/dbraw/zinc/34/32/52/1063343252.db2.gz WMCZEGBCWZEGGW-SLFFLAALSA-N 2 1 496.660 2.870 20 0 JFADMP C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291214439 1063414265 /nfs/dbraw/zinc/41/42/65/1063414265.db2.gz WQXDUKKVQGOWOO-MBOZVWFJSA-N 2 1 464.561 2.654 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295472204 1063476897 /nfs/dbraw/zinc/47/68/97/1063476897.db2.gz JBKNSMKMTIQBOR-LEWJYISDSA-N 2 1 480.723 2.611 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001295474738 1063482332 /nfs/dbraw/zinc/48/23/32/1063482332.db2.gz GKCRLGOWBXCCQP-DEOSSOPVSA-N 2 1 486.709 2.807 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481301 1063492683 /nfs/dbraw/zinc/49/26/83/1063492683.db2.gz ULINSYRUUPDUBO-DHLKQENFSA-N 2 1 481.689 2.878 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295482687 1063504447 /nfs/dbraw/zinc/50/44/47/1063504447.db2.gz XQTYUZNZQYWRSK-QFIPXVFZSA-N 2 1 481.689 2.976 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001295490704 1063518700 /nfs/dbraw/zinc/51/87/00/1063518700.db2.gz FQUFVJAMDMZLAH-QHCPKHFHSA-N 2 1 481.689 2.510 20 0 JFADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295502445 1063536531 /nfs/dbraw/zinc/53/65/31/1063536531.db2.gz GDZATTGRFRWDMJ-KNQAVFIVSA-N 2 1 453.635 2.650 20 0 JFADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295502447 1063537041 /nfs/dbraw/zinc/53/70/41/1063537041.db2.gz GDZATTGRFRWDMJ-UGKGYDQZSA-N 2 1 453.635 2.650 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001295503269 1063538065 /nfs/dbraw/zinc/53/80/65/1063538065.db2.gz KROJHAKPGDMHDV-FGZHOGPDSA-N 2 1 459.683 2.947 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC001295506327 1063543268 /nfs/dbraw/zinc/54/32/68/1063543268.db2.gz JTUNNRSPMCIBSA-LEWJYISDSA-N 2 1 488.702 2.859 20 0 JFADMP CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291261380 1063556913 /nfs/dbraw/zinc/55/69/13/1063556913.db2.gz AKGAYVWEQSWQLU-NFBKMPQASA-N 2 1 458.626 2.895 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291261380 1063556931 /nfs/dbraw/zinc/55/69/31/1063556931.db2.gz AKGAYVWEQSWQLU-NFBKMPQASA-N 2 1 458.626 2.895 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291290408 1063663892 /nfs/dbraw/zinc/66/38/92/1063663892.db2.gz ZSNFSDAIXBLJQB-ODAXIHTASA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001291290408 1063663902 /nfs/dbraw/zinc/66/39/02/1063663902.db2.gz ZSNFSDAIXBLJQB-ODAXIHTASA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC001291291337 1063670243 /nfs/dbraw/zinc/67/02/43/1063670243.db2.gz NHHJTODESFTRDF-SZPZYZBQSA-N 2 1 476.710 2.915 20 0 JFADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC001295820770 1063826779 /nfs/dbraw/zinc/82/67/79/1063826779.db2.gz HLIKMGWVUONVKE-UHFFFAOYSA-N 2 1 453.635 2.531 20 0 JFADMP CC[N@@H+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846343 1063868152 /nfs/dbraw/zinc/86/81/52/1063868152.db2.gz RPGLCDKIUUWFBI-NQIIRXRSSA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846343 1063868165 /nfs/dbraw/zinc/86/81/65/1063868165.db2.gz RPGLCDKIUUWFBI-NQIIRXRSSA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846343 1063868172 /nfs/dbraw/zinc/86/81/72/1063868172.db2.gz RPGLCDKIUUWFBI-NQIIRXRSSA-N 2 1 499.626 2.809 20 0 JFADMP CC[N@@H+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001295866297 1063900154 /nfs/dbraw/zinc/90/01/54/1063900154.db2.gz JVAQFKMYZBSYGH-MOPGFXCFSA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)C(C)C ZINC001295866297 1063900167 /nfs/dbraw/zinc/90/01/67/1063900167.db2.gz JVAQFKMYZBSYGH-MOPGFXCFSA-N 2 1 461.680 2.919 20 0 JFADMP CC[NH+](CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C(C)C ZINC001295866297 1063900180 /nfs/dbraw/zinc/90/01/80/1063900180.db2.gz JVAQFKMYZBSYGH-MOPGFXCFSA-N 2 1 461.680 2.919 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001295981827 1064033722 /nfs/dbraw/zinc/03/37/22/1064033722.db2.gz BHEDQHXMGAZUQD-UXHICEINSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295982509 1064035681 /nfs/dbraw/zinc/03/56/81/1064035681.db2.gz UGFFEHVDZNRGCF-XBJMDHIQSA-N 2 1 450.672 2.968 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001295984093 1064040775 /nfs/dbraw/zinc/04/07/75/1064040775.db2.gz KXJUAFBWTIELQW-AABGKKOBSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001295984093 1064040777 /nfs/dbraw/zinc/04/07/77/1064040777.db2.gz KXJUAFBWTIELQW-AABGKKOBSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001296008785 1064061798 /nfs/dbraw/zinc/06/17/98/1064061798.db2.gz BJQUSAMNUZENOB-HKBOAZHASA-N 2 1 454.623 2.955 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296008821 1064062389 /nfs/dbraw/zinc/06/23/89/1064062389.db2.gz BPKRMYCXAWQLEG-UFYCRDLUSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296008821 1064062397 /nfs/dbraw/zinc/06/23/97/1064062397.db2.gz BPKRMYCXAWQLEG-UFYCRDLUSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296008821 1064062405 /nfs/dbraw/zinc/06/24/05/1064062405.db2.gz BPKRMYCXAWQLEG-UFYCRDLUSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011349 1064070699 /nfs/dbraw/zinc/07/06/99/1064070699.db2.gz VEGDNXZMDUDKFP-BJKOFHAPSA-N 2 1 483.705 2.987 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001296033722 1064092325 /nfs/dbraw/zinc/09/23/25/1064092325.db2.gz NUBVRHADRWUTGP-QUCCMNQESA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001296033722 1064092337 /nfs/dbraw/zinc/09/23/37/1064092337.db2.gz NUBVRHADRWUTGP-QUCCMNQESA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001296033722 1064092348 /nfs/dbraw/zinc/09/23/48/1064092348.db2.gz NUBVRHADRWUTGP-QUCCMNQESA-N 2 1 474.053 2.734 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296059898 1064123274 /nfs/dbraw/zinc/12/32/74/1064123274.db2.gz KJUYKEDFHARSAP-FPOVZHCZSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296059898 1064123279 /nfs/dbraw/zinc/12/32/79/1064123279.db2.gz KJUYKEDFHARSAP-FPOVZHCZSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296059898 1064123289 /nfs/dbraw/zinc/12/32/89/1064123289.db2.gz KJUYKEDFHARSAP-FPOVZHCZSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296059900 1064123341 /nfs/dbraw/zinc/12/33/41/1064123341.db2.gz KJUYKEDFHARSAP-TZIWHRDSSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296059900 1064123347 /nfs/dbraw/zinc/12/33/47/1064123347.db2.gz KJUYKEDFHARSAP-TZIWHRDSSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296059900 1064123353 /nfs/dbraw/zinc/12/33/53/1064123353.db2.gz KJUYKEDFHARSAP-TZIWHRDSSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296061831 1064127621 /nfs/dbraw/zinc/12/76/21/1064127621.db2.gz YDNQUPBPULFJAM-OAQYLSRUSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296061831 1064127625 /nfs/dbraw/zinc/12/76/25/1064127625.db2.gz YDNQUPBPULFJAM-OAQYLSRUSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001296061831 1064127627 /nfs/dbraw/zinc/12/76/27/1064127627.db2.gz YDNQUPBPULFJAM-OAQYLSRUSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001296061831 1064127631 /nfs/dbraw/zinc/12/76/31/1064127631.db2.gz YDNQUPBPULFJAM-OAQYLSRUSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296086883 1064155077 /nfs/dbraw/zinc/15/50/77/1064155077.db2.gz BQCKPICJKIUWKX-RBBKRZOGSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC(C)C)n3CC[NH+]3CCCCC3)CC2)CC1 ZINC001296118999 1064203186 /nfs/dbraw/zinc/20/31/86/1064203186.db2.gz MSUHYFKAOOVJHT-UHFFFAOYSA-N 2 1 473.710 2.733 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001296119350 1064204195 /nfs/dbraw/zinc/20/41/95/1064204195.db2.gz SBDKWVBHIQEYHN-JOCHJYFZSA-N 2 1 498.720 2.785 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001296119353 1064204248 /nfs/dbraw/zinc/20/42/48/1064204248.db2.gz SBDKWVBHIQEYHN-QFIPXVFZSA-N 2 1 498.720 2.785 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296134828 1064237150 /nfs/dbraw/zinc/23/71/50/1064237150.db2.gz QZMWDKHIKFKBHZ-DNVJHFABSA-N 2 1 499.704 2.811 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001291758910 1064238873 /nfs/dbraw/zinc/23/88/73/1064238873.db2.gz CJLDGQMPDMMEFL-UXHICEINSA-N 2 1 454.623 2.720 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001291765649 1064246568 /nfs/dbraw/zinc/24/65/68/1064246568.db2.gz ORDUWBGICFNNQV-IFMALSPDSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001291765649 1064246576 /nfs/dbraw/zinc/24/65/76/1064246576.db2.gz ORDUWBGICFNNQV-IFMALSPDSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001291765649 1064246585 /nfs/dbraw/zinc/24/65/85/1064246585.db2.gz ORDUWBGICFNNQV-IFMALSPDSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001291765649 1064246590 /nfs/dbraw/zinc/24/65/90/1064246590.db2.gz ORDUWBGICFNNQV-IFMALSPDSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001296141945 1064248040 /nfs/dbraw/zinc/24/80/40/1064248040.db2.gz HCOPGBCDVPAKEV-GOSISDBHSA-N 2 1 464.561 2.799 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001296141945 1064248051 /nfs/dbraw/zinc/24/80/51/1064248051.db2.gz HCOPGBCDVPAKEV-GOSISDBHSA-N 2 1 464.561 2.799 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296142654 1064250454 /nfs/dbraw/zinc/25/04/54/1064250454.db2.gz FDHFELQJJBRYEY-AQNXPRMDSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296142654 1064250458 /nfs/dbraw/zinc/25/04/58/1064250458.db2.gz FDHFELQJJBRYEY-AQNXPRMDSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296142654 1064250461 /nfs/dbraw/zinc/25/04/61/1064250461.db2.gz FDHFELQJJBRYEY-AQNXPRMDSA-N 2 1 454.623 2.576 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296142655 1064250570 /nfs/dbraw/zinc/25/05/70/1064250570.db2.gz FDHFELQJJBRYEY-UFYCRDLUSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296142655 1064250579 /nfs/dbraw/zinc/25/05/79/1064250579.db2.gz FDHFELQJJBRYEY-UFYCRDLUSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296142655 1064250583 /nfs/dbraw/zinc/25/05/83/1064250583.db2.gz FDHFELQJJBRYEY-UFYCRDLUSA-N 2 1 454.623 2.576 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001291772877 1064256663 /nfs/dbraw/zinc/25/66/63/1064256663.db2.gz QLGUQMSPGYCRPK-FCHUYYIVSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772877 1064256668 /nfs/dbraw/zinc/25/66/68/1064256668.db2.gz QLGUQMSPGYCRPK-FCHUYYIVSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772877 1064256673 /nfs/dbraw/zinc/25/66/73/1064256673.db2.gz QLGUQMSPGYCRPK-FCHUYYIVSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291773000 1064257459 /nfs/dbraw/zinc/25/74/59/1064257459.db2.gz DFPXTBPPPRBUCV-UNMCSNQZSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291773000 1064257465 /nfs/dbraw/zinc/25/74/65/1064257465.db2.gz DFPXTBPPPRBUCV-UNMCSNQZSA-N 2 1 480.723 2.613 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)C2CCCC2)C[C@@H]1C ZINC001296147624 1064258280 /nfs/dbraw/zinc/25/82/80/1064258280.db2.gz PTOFJKSNUFRTPO-IBGZPJMESA-N 2 1 474.675 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001296147624 1064258286 /nfs/dbraw/zinc/25/82/86/1064258286.db2.gz PTOFJKSNUFRTPO-IBGZPJMESA-N 2 1 474.675 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001296147624 1064258293 /nfs/dbraw/zinc/25/82/93/1064258293.db2.gz PTOFJKSNUFRTPO-IBGZPJMESA-N 2 1 474.675 2.753 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773414 1064258324 /nfs/dbraw/zinc/25/83/24/1064258324.db2.gz HIFDURPPYQZQHI-GGAORHGYSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773414 1064258330 /nfs/dbraw/zinc/25/83/30/1064258330.db2.gz HIFDURPPYQZQHI-GGAORHGYSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001291773414 1064258336 /nfs/dbraw/zinc/25/83/36/1064258336.db2.gz HIFDURPPYQZQHI-GGAORHGYSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001291773414 1064258344 /nfs/dbraw/zinc/25/83/44/1064258344.db2.gz HIFDURPPYQZQHI-GGAORHGYSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774049 1064260674 /nfs/dbraw/zinc/26/06/74/1064260674.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001291774049 1064260678 /nfs/dbraw/zinc/26/06/78/1064260678.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291774049 1064260682 /nfs/dbraw/zinc/26/06/82/1064260682.db2.gz KTZMIQFRAPDRLS-UPVQGACJSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC001296154504 1064265497 /nfs/dbraw/zinc/26/54/97/1064265497.db2.gz GOGXMXLPJCIOGH-FQEVSTJZSA-N 2 1 490.722 2.887 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291781299 1064268447 /nfs/dbraw/zinc/26/84/47/1064268447.db2.gz DIIKHMYVAHTWDN-ICSRJNTNSA-N 2 1 461.680 2.523 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291781299 1064268451 /nfs/dbraw/zinc/26/84/51/1064268451.db2.gz DIIKHMYVAHTWDN-ICSRJNTNSA-N 2 1 461.680 2.523 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001296156941 1064269391 /nfs/dbraw/zinc/26/93/91/1064269391.db2.gz DDPPLTVYGATLOE-HKBOAZHASA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001296156941 1064269397 /nfs/dbraw/zinc/26/93/97/1064269397.db2.gz DDPPLTVYGATLOE-HKBOAZHASA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C[C@@H]1C ZINC001296156941 1064269406 /nfs/dbraw/zinc/26/94/06/1064269406.db2.gz DDPPLTVYGATLOE-HKBOAZHASA-N 2 1 491.681 2.601 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291782420 1064271050 /nfs/dbraw/zinc/27/10/50/1064271050.db2.gz OVQAGZXWANOFFS-GGAORHGYSA-N 2 1 455.651 2.543 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001296164825 1064283226 /nfs/dbraw/zinc/28/32/26/1064283226.db2.gz DPNPSMFLIHIGIH-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001296164825 1064283236 /nfs/dbraw/zinc/28/32/36/1064283236.db2.gz DPNPSMFLIHIGIH-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001296164825 1064283247 /nfs/dbraw/zinc/28/32/47/1064283247.db2.gz DPNPSMFLIHIGIH-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001296164828 1064283413 /nfs/dbraw/zinc/28/34/13/1064283413.db2.gz DPNPSMFLIHIGIH-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001296164828 1064283424 /nfs/dbraw/zinc/28/34/24/1064283424.db2.gz DPNPSMFLIHIGIH-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001296164828 1064283439 /nfs/dbraw/zinc/28/34/39/1064283439.db2.gz DPNPSMFLIHIGIH-RTBURBONSA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296173923 1064299428 /nfs/dbraw/zinc/29/94/28/1064299428.db2.gz MUZKQWVHNPWQQP-NFBKMPQASA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296173923 1064299437 /nfs/dbraw/zinc/29/94/37/1064299437.db2.gz MUZKQWVHNPWQQP-NFBKMPQASA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001296174118 1064300242 /nfs/dbraw/zinc/30/02/42/1064300242.db2.gz NUNUCBDKNSOSCN-RLLQIKCJSA-N 2 1 472.638 2.784 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001296174118 1064300260 /nfs/dbraw/zinc/30/02/60/1064300260.db2.gz NUNUCBDKNSOSCN-RLLQIKCJSA-N 2 1 472.638 2.784 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001296197395 1064374088 /nfs/dbraw/zinc/37/40/88/1064374088.db2.gz XVSADGYYWCOVOS-QHCPKHFHSA-N 2 1 499.752 2.647 20 0 JFADMP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296202978 1064380048 /nfs/dbraw/zinc/38/00/48/1064380048.db2.gz JRPSFYKFDRVPEQ-XZOQPEGZSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296202978 1064380057 /nfs/dbraw/zinc/38/00/57/1064380057.db2.gz JRPSFYKFDRVPEQ-XZOQPEGZSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296202978 1064380063 /nfs/dbraw/zinc/38/00/63/1064380063.db2.gz JRPSFYKFDRVPEQ-XZOQPEGZSA-N 2 1 468.694 2.601 20 0 JFADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888805 1064513002 /nfs/dbraw/zinc/51/30/02/1064513002.db2.gz RGLZEQDUZHZWFK-RPWUZVMVSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888805 1064513013 /nfs/dbraw/zinc/51/30/13/1064513013.db2.gz RGLZEQDUZHZWFK-RPWUZVMVSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888805 1064513022 /nfs/dbraw/zinc/51/30/22/1064513022.db2.gz RGLZEQDUZHZWFK-RPWUZVMVSA-N 2 1 481.689 2.903 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291975468 1064590139 /nfs/dbraw/zinc/59/01/39/1064590139.db2.gz UGYTXLQXYLUPIE-ZEQKJWHPSA-N 2 1 486.709 2.807 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001292125740 1064871110 /nfs/dbraw/zinc/87/11/10/1064871110.db2.gz LBGQGBCOMYRKBM-UHFFFAOYSA-N 2 1 477.723 2.700 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001292125936 1064872948 /nfs/dbraw/zinc/87/29/48/1064872948.db2.gz NBUWGGUFCGWWHO-FQEVSTJZSA-N 2 1 459.683 2.993 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292127289 1064881423 /nfs/dbraw/zinc/88/14/23/1064881423.db2.gz ZKYKZDRBWNZWQS-JOCHJYFZSA-N 2 1 489.709 2.620 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292127289 1064881437 /nfs/dbraw/zinc/88/14/37/1064881437.db2.gz ZKYKZDRBWNZWQS-JOCHJYFZSA-N 2 1 489.709 2.620 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893444 1065594934 /nfs/dbraw/zinc/59/49/34/1065594934.db2.gz OBAMSMJCHNOMMM-WIOPSUGQSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893444 1065594942 /nfs/dbraw/zinc/59/49/42/1065594942.db2.gz OBAMSMJCHNOMMM-WIOPSUGQSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893444 1065594956 /nfs/dbraw/zinc/59/49/56/1065594956.db2.gz OBAMSMJCHNOMMM-WIOPSUGQSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894338 1065595473 /nfs/dbraw/zinc/59/54/73/1065595473.db2.gz WXWWLHBFPJWCLV-IEXUWNMDSA-N 2 1 485.652 2.661 20 0 JFADMP CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292950825 1065630756 /nfs/dbraw/zinc/63/07/56/1065630756.db2.gz DFAOGEWWBQBGMP-QFIPXVFZSA-N 2 1 473.710 2.732 20 0 JFADMP CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001292953031 1065633929 /nfs/dbraw/zinc/63/39/29/1065633929.db2.gz ZBLANDBHECSANI-QFIPXVFZSA-N 2 1 473.710 2.876 20 0 JFADMP CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001292979823 1065662067 /nfs/dbraw/zinc/66/20/67/1065662067.db2.gz XUJQQXOUDPAJEB-RUZDIDTESA-N 2 1 489.753 2.972 20 0 JFADMP CCc1nnc(N2CCC[NH+](Cc3ccc(F)cc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001293068085 1065719424 /nfs/dbraw/zinc/71/94/24/1065719424.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 1 457.642 2.718 20 0 JFADMP CCc1nnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001293068085 1065719435 /nfs/dbraw/zinc/71/94/35/1065719435.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 1 457.642 2.718 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001293068085 1065719440 /nfs/dbraw/zinc/71/94/40/1065719440.db2.gz BWNBNTHUKYYXKA-UHFFFAOYSA-N 2 1 457.642 2.718 20 0 JFADMP CCc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293069436 1065722446 /nfs/dbraw/zinc/72/24/46/1065722446.db2.gz VNZWNDIJHKFHJE-OAQYLSRUSA-N 2 1 450.635 2.807 20 0 JFADMP CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001293069436 1065722456 /nfs/dbraw/zinc/72/24/56/1065722456.db2.gz VNZWNDIJHKFHJE-OAQYLSRUSA-N 2 1 450.635 2.807 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](C)[NH+](C)Cc1ccccc1 ZINC001293069436 1065722467 /nfs/dbraw/zinc/72/24/67/1065722467.db2.gz VNZWNDIJHKFHJE-OAQYLSRUSA-N 2 1 450.635 2.807 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361402 1065965343 /nfs/dbraw/zinc/96/53/43/1065965343.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001293361402 1065965351 /nfs/dbraw/zinc/96/53/51/1065965351.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293361402 1065965359 /nfs/dbraw/zinc/96/53/59/1065965359.db2.gz AGIGBFAVMXKWRB-RPWUZVMVSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293364368 1065968806 /nfs/dbraw/zinc/96/88/06/1065968806.db2.gz FMVAHZUFEAQYTH-HSZRJFAPSA-N 2 1 482.677 2.595 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC001293374510 1065979690 /nfs/dbraw/zinc/97/96/90/1065979690.db2.gz VSFLUWHHCXMQMX-BHIFYINESA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001293530371 1066049786 /nfs/dbraw/zinc/04/97/86/1066049786.db2.gz OUSVLYHYCNLWJA-GMAHTHKFSA-N 2 1 456.635 2.979 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC001293549788 1066066285 /nfs/dbraw/zinc/06/62/85/1066066285.db2.gz QVHXZPCPZWHEGL-HXUWFJFHSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001293549788 1066066289 /nfs/dbraw/zinc/06/62/89/1066066289.db2.gz QVHXZPCPZWHEGL-HXUWFJFHSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001293549788 1066066301 /nfs/dbraw/zinc/06/63/01/1066066301.db2.gz QVHXZPCPZWHEGL-HXUWFJFHSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001293549788 1066066313 /nfs/dbraw/zinc/06/63/13/1066066313.db2.gz QVHXZPCPZWHEGL-HXUWFJFHSA-N 2 1 460.623 2.504 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293553605 1066068197 /nfs/dbraw/zinc/06/81/97/1066068197.db2.gz QWYFXHNLWALGLF-XMSQKQJNSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293553605 1066068209 /nfs/dbraw/zinc/06/82/09/1066068209.db2.gz QWYFXHNLWALGLF-XMSQKQJNSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[NH+](C)C(C)C)CC[N@H+]1CCOC ZINC001293558714 1066072399 /nfs/dbraw/zinc/07/23/99/1066072399.db2.gz RNMWBRMZUYTLRG-HXUWFJFHSA-N 2 1 458.607 2.561 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](C)C(C)C)CC[NH+]1CCOC ZINC001293558714 1066072402 /nfs/dbraw/zinc/07/24/02/1066072402.db2.gz RNMWBRMZUYTLRG-HXUWFJFHSA-N 2 1 458.607 2.561 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)C(C)C)CC[NH+]1CCOC ZINC001293558714 1066072407 /nfs/dbraw/zinc/07/24/07/1066072407.db2.gz RNMWBRMZUYTLRG-HXUWFJFHSA-N 2 1 458.607 2.561 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293562582 1066075919 /nfs/dbraw/zinc/07/59/19/1066075919.db2.gz VFGWTTFEQOXRRS-ZJSXRUAMSA-N 2 1 458.676 2.929 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293566941 1066080237 /nfs/dbraw/zinc/08/02/37/1066080237.db2.gz XKGOYKNBNDHPIB-QFIPXVFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293566941 1066080245 /nfs/dbraw/zinc/08/02/45/1066080245.db2.gz XKGOYKNBNDHPIB-QFIPXVFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293566941 1066080258 /nfs/dbraw/zinc/08/02/58/1066080258.db2.gz XKGOYKNBNDHPIB-QFIPXVFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293566941 1066080268 /nfs/dbraw/zinc/08/02/68/1066080268.db2.gz XKGOYKNBNDHPIB-QFIPXVFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293577558 1066087698 /nfs/dbraw/zinc/08/76/98/1066087698.db2.gz FLKMZKLCBMJQEB-XPNTWCBSSA-N 2 1 455.651 2.926 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293606050 1066121838 /nfs/dbraw/zinc/12/18/38/1066121838.db2.gz FHJOQJUBXHFEFO-KAOXLYBCSA-N 2 1 462.683 2.523 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293606050 1066121840 /nfs/dbraw/zinc/12/18/40/1066121840.db2.gz FHJOQJUBXHFEFO-KAOXLYBCSA-N 2 1 462.683 2.523 20 0 JFADMP CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293637389 1066155170 /nfs/dbraw/zinc/15/51/70/1066155170.db2.gz FPWQQESQMCYSFY-XJUOHMSHSA-N 2 1 456.635 2.663 20 0 JFADMP CCC[C@H]1CN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1CCOC ZINC001294061311 1066533482 /nfs/dbraw/zinc/53/34/82/1066533482.db2.gz QGHASYIJLCQNOX-DEOSSOPVSA-N 2 1 470.662 2.529 20 0 JFADMP O=C1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC2(CC[NH2+]CC2)N1 ZINC001164391756 718809696 /nfs/dbraw/zinc/80/96/96/718809696.db2.gz ICWDVZSZETWMAB-UHFFFAOYSA-N 2 1 454.644 2.614 20 0 JFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)c2c1CC[NH2+]C2 ZINC001164685182 719617112 /nfs/dbraw/zinc/61/71/12/719617112.db2.gz SJRUXOOLLJQGBB-UHFFFAOYSA-N 2 1 468.936 2.977 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2nc(Cl)ncc2C(=O)OCC2CC2)c2c1CC[NH2+]C2 ZINC001164685182 719617124 /nfs/dbraw/zinc/61/71/24/719617124.db2.gz SJRUXOOLLJQGBB-UHFFFAOYSA-N 2 1 468.936 2.977 20 0 JFADMP CCc1cc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164714767 720129017 /nfs/dbraw/zinc/12/90/17/720129017.db2.gz YPJGUWOSLIUKMK-QHCPKHFHSA-N 2 1 466.630 2.778 20 0 JFADMP Cn1nnc2c1CCN(c1ccc3c(n1)CC[N@H+](Cc1ccccc1)C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164717763 720175123 /nfs/dbraw/zinc/17/51/23/720175123.db2.gz MHMYDBXCGXVRCN-SANMLTNESA-N 2 1 487.652 2.985 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3Cc1ccc(F)cc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716500 720185836 /nfs/dbraw/zinc/18/58/36/720185836.db2.gz FXMJHVOOPUFMKL-HSZRJFAPSA-N 2 1 490.587 2.963 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719189 720185928 /nfs/dbraw/zinc/18/59/28/720185928.db2.gz UBDLOBCEAKCDCM-QHCPKHFHSA-N 2 1 472.597 2.824 20 0 JFADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840643 720600186 /nfs/dbraw/zinc/60/01/86/720600186.db2.gz QCSFIQUIQSVCPS-FDFHNCONSA-N 2 1 465.650 2.646 20 0 JFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840643 720600204 /nfs/dbraw/zinc/60/02/04/720600204.db2.gz QCSFIQUIQSVCPS-FDFHNCONSA-N 2 1 465.650 2.646 20 0 JFADMP C[NH+]1CCC(Oc2ccnc(N3CCn4c(-c5cccnc5)cnc4C34CC[NH2+]CC4)c2)CC1 ZINC001164844293 720743951 /nfs/dbraw/zinc/74/39/51/720743951.db2.gz OPBCZPPSOYLIRA-UHFFFAOYSA-N 2 1 459.598 2.912 20 0 JFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744541 720821007 /nfs/dbraw/zinc/82/10/07/720821007.db2.gz VDLOOFVQCDWRFU-SFHLNBCPSA-N 2 1 457.026 2.568 20 0 JFADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164750646 720900284 /nfs/dbraw/zinc/90/02/84/720900284.db2.gz BLSDDNJCHXMOLA-SHQCIBLASA-N 2 1 462.642 2.641 20 0 JFADMP c1cncc(COC[C@@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747853 720913838 /nfs/dbraw/zinc/91/38/38/720913838.db2.gz DPFXXTBUBWDUGY-HOFKKMOUSA-N 2 1 478.641 2.758 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1C[NH+]1CC[C@H](CO)C1 ZINC001164770380 721293687 /nfs/dbraw/zinc/29/36/87/721293687.db2.gz RWDUVUVOLCTXIK-FQEVSTJZSA-N 2 1 455.647 2.803 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[NH+](CC2CC2)C3)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164770380 721293690 /nfs/dbraw/zinc/29/36/90/721293690.db2.gz RWDUVUVOLCTXIK-FQEVSTJZSA-N 2 1 455.647 2.803 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[NH+](CC2CC2)C3)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164770380 721293692 /nfs/dbraw/zinc/29/36/92/721293692.db2.gz RWDUVUVOLCTXIK-FQEVSTJZSA-N 2 1 455.647 2.803 20 0 JFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164784395 721362157 /nfs/dbraw/zinc/36/21/57/721362157.db2.gz RNKYHXUVQGZDJQ-VWLOTQADSA-N 3 1 454.619 2.733 20 0 JFADMP Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C2)C1 ZINC001164784395 721362159 /nfs/dbraw/zinc/36/21/59/721362159.db2.gz RNKYHXUVQGZDJQ-VWLOTQADSA-N 2 1 454.619 2.733 20 0 JFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164785992 721453182 /nfs/dbraw/zinc/45/31/82/721453182.db2.gz LIDSBOIHBGPLFZ-GOSISDBHSA-N 2 1 450.027 2.510 20 0 JFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CC2 ZINC001164783995 721464228 /nfs/dbraw/zinc/46/42/28/721464228.db2.gz GPUVORLBOFQDCB-QHCPKHFHSA-N 3 1 457.663 2.743 20 0 JFADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164783995 721464231 /nfs/dbraw/zinc/46/42/31/721464231.db2.gz GPUVORLBOFQDCB-QHCPKHFHSA-N 2 1 457.663 2.743 20 0 JFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164783995 721464233 /nfs/dbraw/zinc/46/42/33/721464233.db2.gz GPUVORLBOFQDCB-QHCPKHFHSA-N 2 1 457.663 2.743 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)C2)cc1 ZINC001164792651 721483998 /nfs/dbraw/zinc/48/39/98/721483998.db2.gz OETNCVBTXWSCTN-BKULYWANSA-N 2 1 457.582 2.588 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)C2)cc1 ZINC001164792651 721484002 /nfs/dbraw/zinc/48/40/02/721484002.db2.gz OETNCVBTXWSCTN-BKULYWANSA-N 2 1 457.582 2.588 20 0 JFADMP CN(C)C(=O)c1cc2c[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)nc2n1C1CCCC1 ZINC001165002962 722253722 /nfs/dbraw/zinc/25/37/22/722253722.db2.gz YSCQFGBNZBAEKY-UHFFFAOYSA-N 2 1 494.644 2.933 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872783 1061281292 /nfs/dbraw/zinc/28/12/92/1061281292.db2.gz XWXRCYBBXLLCDB-REWPJTCUSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872783 1061281313 /nfs/dbraw/zinc/28/13/13/1061281313.db2.gz XWXRCYBBXLLCDB-REWPJTCUSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872783 1061281333 /nfs/dbraw/zinc/28/13/33/1061281333.db2.gz XWXRCYBBXLLCDB-REWPJTCUSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286872942 1061283053 /nfs/dbraw/zinc/28/30/53/1061283053.db2.gz ZBEQSCABLBBEDM-NIJXNBFTSA-N 2 1 467.662 2.577 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1C ZINC001289732682 1061342828 /nfs/dbraw/zinc/34/28/28/1061342828.db2.gz JGPIULQKRISMHT-HHHXNRCGSA-N 2 1 497.688 2.770 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC001289732682 1061342842 /nfs/dbraw/zinc/34/28/42/1061342842.db2.gz JGPIULQKRISMHT-HHHXNRCGSA-N 2 1 497.688 2.770 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC001289732682 1061342860 /nfs/dbraw/zinc/34/28/60/1061342860.db2.gz JGPIULQKRISMHT-HHHXNRCGSA-N 2 1 497.688 2.770 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294217419 1061729053 /nfs/dbraw/zinc/72/90/53/1061729053.db2.gz HABHAYBUPLPLJU-SQJMNOBHSA-N 2 1 497.688 2.674 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294217419 1061729077 /nfs/dbraw/zinc/72/90/77/1061729077.db2.gz HABHAYBUPLPLJU-SQJMNOBHSA-N 2 1 497.688 2.674 20 0 JFADMP CCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001294223695 1061733686 /nfs/dbraw/zinc/73/36/86/1061733686.db2.gz JAYJJTAAYUOQSU-HSZRJFAPSA-N 2 1 472.682 2.924 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001294223695 1061733706 /nfs/dbraw/zinc/73/37/06/1061733706.db2.gz JAYJJTAAYUOQSU-HSZRJFAPSA-N 2 1 472.682 2.924 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226273 1061738892 /nfs/dbraw/zinc/73/88/92/1061738892.db2.gz RNNJPIOOIDLVKY-XZOQPEGZSA-N 2 1 494.750 2.860 20 0 JFADMP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290071633 1061799158 /nfs/dbraw/zinc/79/91/58/1061799158.db2.gz QQCKBQOGIZAAJP-DEOSSOPVSA-N 2 1 497.688 2.639 20 0 JFADMP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)n2CCC[NH+](C)C(C)C)c1 ZINC001290071633 1061799179 /nfs/dbraw/zinc/79/91/79/1061799179.db2.gz QQCKBQOGIZAAJP-DEOSSOPVSA-N 2 1 497.688 2.639 20 0 JFADMP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CCC[NH+](C)C(C)C)c1 ZINC001290071633 1061799201 /nfs/dbraw/zinc/79/92/01/1061799201.db2.gz QQCKBQOGIZAAJP-DEOSSOPVSA-N 2 1 497.688 2.639 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294459985 1062007541 /nfs/dbraw/zinc/00/75/41/1062007541.db2.gz XJFQHHCVLGPBMP-WZONZLPQSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294459985 1062007563 /nfs/dbraw/zinc/00/75/63/1062007563.db2.gz XJFQHHCVLGPBMP-WZONZLPQSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294459985 1062007588 /nfs/dbraw/zinc/00/75/88/1062007588.db2.gz XJFQHHCVLGPBMP-WZONZLPQSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294461935 1062011732 /nfs/dbraw/zinc/01/17/32/1062011732.db2.gz FWAFPNGNGYCCFY-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294461935 1062011752 /nfs/dbraw/zinc/01/17/52/1062011752.db2.gz FWAFPNGNGYCCFY-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC001294516257 1062053426 /nfs/dbraw/zinc/05/34/26/1062053426.db2.gz QGBJYZWHZPJHAV-IRLDBZIGSA-N 2 1 453.635 2.672 20 0 JFADMP CCC[NH+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001294516257 1062053444 /nfs/dbraw/zinc/05/34/44/1062053444.db2.gz QGBJYZWHZPJHAV-IRLDBZIGSA-N 2 1 453.635 2.672 20 0 JFADMP CCC[NH+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001294516257 1062053461 /nfs/dbraw/zinc/05/34/61/1062053461.db2.gz QGBJYZWHZPJHAV-IRLDBZIGSA-N 2 1 453.635 2.672 20 0 JFADMP CCC[N@@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001294519357 1062054940 /nfs/dbraw/zinc/05/49/40/1062054940.db2.gz CTUZQFWTUCKMTP-NRFANRHFSA-N 2 1 469.682 2.714 20 0 JFADMP CCC[NH+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294519357 1062054947 /nfs/dbraw/zinc/05/49/47/1062054947.db2.gz CTUZQFWTUCKMTP-NRFANRHFSA-N 2 1 469.682 2.714 20 0 JFADMP CCC[NH+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294519357 1062054970 /nfs/dbraw/zinc/05/49/70/1062054970.db2.gz CTUZQFWTUCKMTP-NRFANRHFSA-N 2 1 469.682 2.714 20 0 JFADMP CCC[N@@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001294519358 1062055276 /nfs/dbraw/zinc/05/52/76/1062055276.db2.gz CTUZQFWTUCKMTP-OAQYLSRUSA-N 2 1 469.682 2.714 20 0 JFADMP CCC[NH+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001294519358 1062055300 /nfs/dbraw/zinc/05/53/00/1062055300.db2.gz CTUZQFWTUCKMTP-OAQYLSRUSA-N 2 1 469.682 2.714 20 0 JFADMP CCC[NH+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001294519358 1062055324 /nfs/dbraw/zinc/05/53/24/1062055324.db2.gz CTUZQFWTUCKMTP-OAQYLSRUSA-N 2 1 469.682 2.714 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519890 1062055650 /nfs/dbraw/zinc/05/56/50/1062055650.db2.gz GTJXHJDUVMSBGB-GOTSBHOMSA-N 2 1 494.750 2.860 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519893 1062055865 /nfs/dbraw/zinc/05/58/65/1062055865.db2.gz GTJXHJDUVMSBGB-PKTZIBPZSA-N 2 1 494.750 2.860 20 0 JFADMP CCC[N@@H+](CC)CCn1c(Cc2ccccn2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001294523751 1062060502 /nfs/dbraw/zinc/06/05/02/1062060502.db2.gz XGDBQUDFNIRCIV-OAQYLSRUSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+](CC)CCn1c(Cc2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC001294523751 1062060525 /nfs/dbraw/zinc/06/05/25/1062060525.db2.gz XGDBQUDFNIRCIV-OAQYLSRUSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+](CC)CCn1c(Cc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001294523751 1062060548 /nfs/dbraw/zinc/06/05/48/1062060548.db2.gz XGDBQUDFNIRCIV-OAQYLSRUSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294524799 1062061753 /nfs/dbraw/zinc/06/17/53/1062061753.db2.gz RCTWGEZIBZWQJV-URXFXBBRSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294524799 1062061775 /nfs/dbraw/zinc/06/17/75/1062061775.db2.gz RCTWGEZIBZWQJV-URXFXBBRSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294524800 1062061848 /nfs/dbraw/zinc/06/18/48/1062061848.db2.gz RCTWGEZIBZWQJV-XUZZJYLKSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294524800 1062061867 /nfs/dbraw/zinc/06/18/67/1062061867.db2.gz RCTWGEZIBZWQJV-XUZZJYLKSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633090 1062142326 /nfs/dbraw/zinc/14/23/26/1062142326.db2.gz LOFXLYMHYITOLW-RTWAWAEBSA-N 2 1 489.709 2.618 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633090 1062142334 /nfs/dbraw/zinc/14/23/34/1062142334.db2.gz LOFXLYMHYITOLW-RTWAWAEBSA-N 2 1 489.709 2.618 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC001294633090 1062142345 /nfs/dbraw/zinc/14/23/45/1062142345.db2.gz LOFXLYMHYITOLW-RTWAWAEBSA-N 2 1 489.709 2.618 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669304 1062225123 /nfs/dbraw/zinc/22/51/23/1062225123.db2.gz HHVIUWBLQRTRKQ-WIOPSUGQSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669304 1062225133 /nfs/dbraw/zinc/22/51/33/1062225133.db2.gz HHVIUWBLQRTRKQ-WIOPSUGQSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)C1 ZINC001294669304 1062225149 /nfs/dbraw/zinc/22/51/49/1062225149.db2.gz HHVIUWBLQRTRKQ-WIOPSUGQSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294696236 1062257671 /nfs/dbraw/zinc/25/76/71/1062257671.db2.gz DEKVLGLIVHTNMW-HSZRJFAPSA-N 2 1 496.704 2.903 20 0 JFADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294697094 1062258756 /nfs/dbraw/zinc/25/87/56/1062258756.db2.gz SZEJONBUMARNFV-MZYLBHOOSA-N 2 1 459.683 2.655 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294697094 1062258776 /nfs/dbraw/zinc/25/87/76/1062258776.db2.gz SZEJONBUMARNFV-MZYLBHOOSA-N 2 1 459.683 2.655 20 0 JFADMP Cc1[nH+]ccn1CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001290509068 1062307746 /nfs/dbraw/zinc/30/77/46/1062307746.db2.gz YUFIQJPWBWVGGZ-UHFFFAOYSA-N 2 1 470.666 2.596 20 0 JFADMP CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001294743493 1062331969 /nfs/dbraw/zinc/33/19/69/1062331969.db2.gz AUYHBOWFEXPWOG-QFIPXVFZSA-N 2 1 483.661 2.622 20 0 JFADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC001294743493 1062331988 /nfs/dbraw/zinc/33/19/88/1062331988.db2.gz AUYHBOWFEXPWOG-QFIPXVFZSA-N 2 1 483.661 2.622 20 0 JFADMP CC(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287159174 1062554795 /nfs/dbraw/zinc/55/47/95/1062554795.db2.gz BKAJPGMPMDVBSJ-QFIPXVFZSA-N 2 1 455.651 2.541 20 0 JFADMP CC(C)[C@@H](Cn1c(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001287164374 1062573848 /nfs/dbraw/zinc/57/38/48/1062573848.db2.gz JZTUGBFTGLMPBX-XMMPIXPASA-N 2 1 489.753 2.927 20 0 JFADMP CC(C)c1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001287220359 1062704065 /nfs/dbraw/zinc/70/40/65/1062704065.db2.gz UKPKVWGCSHCQKB-UHFFFAOYSA-N 2 1 461.699 2.507 20 0 JFADMP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+](C)CCCNC(=O)OC(C)(C)C ZINC001290868501 1062752295 /nfs/dbraw/zinc/75/22/95/1062752295.db2.gz ZBRKGRVCOLUNQE-FQEVSTJZSA-N 2 1 493.697 2.513 20 0 JFADMP Cc1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290868501 1062752313 /nfs/dbraw/zinc/75/23/13/1062752313.db2.gz ZBRKGRVCOLUNQE-FQEVSTJZSA-N 2 1 493.697 2.513 20 0 JFADMP Cc1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001290868501 1062752329 /nfs/dbraw/zinc/75/23/29/1062752329.db2.gz ZBRKGRVCOLUNQE-FQEVSTJZSA-N 2 1 493.697 2.513 20 0 JFADMP CC(C)C[C@H](Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C ZINC001287332190 1062809786 /nfs/dbraw/zinc/80/97/86/1062809786.db2.gz JFAQZLDNJDNLIE-ZJSXRUAMSA-N 2 1 469.678 2.930 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001287461673 1062899166 /nfs/dbraw/zinc/89/91/66/1062899166.db2.gz ABNHZRAZMGOHNJ-NHCUHLMSSA-N 2 1 473.691 2.584 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001287463161 1062904898 /nfs/dbraw/zinc/90/48/98/1062904898.db2.gz WIAAIBGWFSPXBZ-TVZXLZGTSA-N 2 1 473.710 2.730 20 0 JFADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC001295145455 1062966196 /nfs/dbraw/zinc/96/61/96/1062966196.db2.gz DHUVGZGIUBCHLP-LHYMKVENSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC001295145455 1062966219 /nfs/dbraw/zinc/96/62/19/1062966219.db2.gz DHUVGZGIUBCHLP-LHYMKVENSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC001295145455 1062966244 /nfs/dbraw/zinc/96/62/44/1062966244.db2.gz DHUVGZGIUBCHLP-LHYMKVENSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@H](C)O1 ZINC001295145455 1062966265 /nfs/dbraw/zinc/96/62/65/1062966265.db2.gz DHUVGZGIUBCHLP-LHYMKVENSA-N 2 1 451.611 2.909 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001291100994 1063070454 /nfs/dbraw/zinc/07/04/54/1063070454.db2.gz LJAGLHZGPWBCSH-RTWAWAEBSA-N 2 1 489.709 2.616 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001291100994 1063070478 /nfs/dbraw/zinc/07/04/78/1063070478.db2.gz LJAGLHZGPWBCSH-RTWAWAEBSA-N 2 1 489.709 2.616 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001291100994 1063070508 /nfs/dbraw/zinc/07/05/08/1063070508.db2.gz LJAGLHZGPWBCSH-RTWAWAEBSA-N 2 1 489.709 2.616 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001287749080 1063073161 /nfs/dbraw/zinc/07/31/61/1063073161.db2.gz DILGYFVIDBYRJF-RUZDIDTESA-N 2 1 462.683 2.971 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103258 1063080091 /nfs/dbraw/zinc/08/00/91/1063080091.db2.gz ASHAJUGLQRVSIT-RTWAWAEBSA-N 2 1 459.683 2.991 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC001291107077 1063095482 /nfs/dbraw/zinc/09/54/82/1063095482.db2.gz FVQJZAJMLDRFGO-YADHBBJMSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@@H](C)C1 ZINC001291107077 1063095502 /nfs/dbraw/zinc/09/55/02/1063095502.db2.gz FVQJZAJMLDRFGO-YADHBBJMSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291107077 1063095525 /nfs/dbraw/zinc/09/55/25/1063095525.db2.gz FVQJZAJMLDRFGO-YADHBBJMSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001291107077 1063095547 /nfs/dbraw/zinc/09/55/47/1063095547.db2.gz FVQJZAJMLDRFGO-YADHBBJMSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@H](C)C1 ZINC001291107074 1063095615 /nfs/dbraw/zinc/09/56/15/1063095615.db2.gz FVQJZAJMLDRFGO-FCHUYYIVSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@H](C)C1 ZINC001291107074 1063095635 /nfs/dbraw/zinc/09/56/35/1063095635.db2.gz FVQJZAJMLDRFGO-FCHUYYIVSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC001291107074 1063095658 /nfs/dbraw/zinc/09/56/58/1063095658.db2.gz FVQJZAJMLDRFGO-FCHUYYIVSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291107074 1063095678 /nfs/dbraw/zinc/09/56/78/1063095678.db2.gz FVQJZAJMLDRFGO-FCHUYYIVSA-N 2 1 469.678 2.931 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001291123609 1063138410 /nfs/dbraw/zinc/13/84/10/1063138410.db2.gz NWXIVUZXDXNVDZ-FGZHOGPDSA-N 2 1 459.683 2.993 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[NH+](Cc3ccccc3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001291126323 1063154606 /nfs/dbraw/zinc/15/46/06/1063154606.db2.gz KHXJUZJUOCURNY-QFIPXVFZSA-N 2 1 467.662 2.861 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[N@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCC[C@H](C)C1 ZINC001291126323 1063154616 /nfs/dbraw/zinc/15/46/16/1063154616.db2.gz KHXJUZJUOCURNY-QFIPXVFZSA-N 2 1 467.662 2.861 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[N@@H+](Cc3ccccc3)CC2)n1CC[NH+]1CCC[C@H](C)C1 ZINC001291126323 1063154625 /nfs/dbraw/zinc/15/46/25/1063154625.db2.gz KHXJUZJUOCURNY-QFIPXVFZSA-N 2 1 467.662 2.861 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295326919 1063218807 /nfs/dbraw/zinc/21/88/07/1063218807.db2.gz GNPAKYPFZWDMSR-GOTSBHOMSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)CC1 ZINC001295326919 1063218830 /nfs/dbraw/zinc/21/88/30/1063218830.db2.gz GNPAKYPFZWDMSR-GOTSBHOMSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001295326919 1063218853 /nfs/dbraw/zinc/21/88/53/1063218853.db2.gz GNPAKYPFZWDMSR-GOTSBHOMSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295326919 1063218876 /nfs/dbraw/zinc/21/88/76/1063218876.db2.gz GNPAKYPFZWDMSR-GOTSBHOMSA-N 2 1 498.720 2.785 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180068 1063270927 /nfs/dbraw/zinc/27/09/27/1063270927.db2.gz SZKVCHFEENFBLX-XZOQPEGZSA-N 2 1 494.750 2.859 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185949 1063287423 /nfs/dbraw/zinc/28/74/23/1063287423.db2.gz VFEYEWVOSVTMGR-SANMLTNESA-N 2 1 492.709 2.598 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185949 1063287442 /nfs/dbraw/zinc/28/74/42/1063287442.db2.gz VFEYEWVOSVTMGR-SANMLTNESA-N 2 1 492.709 2.598 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295364078 1063325440 /nfs/dbraw/zinc/32/54/40/1063325440.db2.gz DRXLYYIMTVFAKT-LEWJYISDSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295367028 1063331042 /nfs/dbraw/zinc/33/10/42/1063331042.db2.gz RVYVTCGWCWRPIH-AQNXPRMDSA-N 2 1 476.691 2.998 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001295376955 1063347020 /nfs/dbraw/zinc/34/70/20/1063347020.db2.gz QWMHLXPKLLURCK-UPVQGACJSA-N 2 1 475.726 2.897 20 0 JFADMP C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291226210 1063472851 /nfs/dbraw/zinc/47/28/51/1063472851.db2.gz FAPGSXTWSFKVJQ-MBOZVWFJSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295474828 1063483957 /nfs/dbraw/zinc/48/39/57/1063483957.db2.gz HVOUQKSPDZXCGI-ZRZAMGCNSA-N 2 1 486.709 2.950 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481303 1063492493 /nfs/dbraw/zinc/49/24/93/1063492493.db2.gz ULINSYRUUPDUBO-RDGATRHJSA-N 2 1 481.689 2.878 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481302 1063492547 /nfs/dbraw/zinc/49/25/47/1063492547.db2.gz ULINSYRUUPDUBO-RCZVLFRGSA-N 2 1 481.689 2.878 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001295482610 1063503695 /nfs/dbraw/zinc/50/36/95/1063503695.db2.gz UYCMXRMFJBVNSK-QFIPXVFZSA-N 2 1 496.704 2.841 20 0 JFADMP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494095 1063528435 /nfs/dbraw/zinc/52/84/35/1063528435.db2.gz YRKSZLIFQQJHAG-HFZDXXHNSA-N 2 1 481.689 2.856 20 0 JFADMP CC[NH+](CC)Cc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295502444 1063536637 /nfs/dbraw/zinc/53/66/37/1063536637.db2.gz GDZATTGRFRWDMJ-DENIHFKCSA-N 2 1 453.635 2.650 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001295511522 1063546494 /nfs/dbraw/zinc/54/64/94/1063546494.db2.gz KQIGTQBFBFANDS-OAQYLSRUSA-N 2 1 488.080 2.931 20 0 JFADMP CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291261382 1063556815 /nfs/dbraw/zinc/55/68/15/1063556815.db2.gz AKGAYVWEQSWQLU-OFNKIYASSA-N 2 1 458.626 2.895 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291261382 1063556833 /nfs/dbraw/zinc/55/68/33/1063556833.db2.gz AKGAYVWEQSWQLU-OFNKIYASSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001295523844 1063561190 /nfs/dbraw/zinc/56/11/90/1063561190.db2.gz ZZUWNUMHMNTHHZ-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001295560765 1063594486 /nfs/dbraw/zinc/59/44/86/1063594486.db2.gz YVPRVEGHNDKKKR-HBFSDRIKSA-N 2 1 459.664 2.904 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001295560768 1063594540 /nfs/dbraw/zinc/59/45/40/1063594540.db2.gz YVPRVEGHNDKKKR-QWFCFKBJSA-N 2 1 459.664 2.904 20 0 JFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nnc(-c2cnn(C)c2)n1CC(C)(C)C[NH+](C)C ZINC001291288409 1063648396 /nfs/dbraw/zinc/64/83/96/1063648396.db2.gz RTPIUHOFNYLFJT-FQEVSTJZSA-N 2 1 450.635 2.977 20 0 JFADMP C[C@@H]1C[N@@H+](CCCn2c(N(C)C3CC[NH+](CCn4cccn4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291295349 1063694337 /nfs/dbraw/zinc/69/43/37/1063694337.db2.gz YBEQJSRRTKPMGW-JOCHJYFZSA-N 2 1 486.709 2.874 20 0 JFADMP C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291306587 1063718422 /nfs/dbraw/zinc/71/84/22/1063718422.db2.gz BYFRQOCRQAGERG-KRWDZBQOSA-N 2 1 494.482 2.687 20 0 JFADMP C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291306587 1063718438 /nfs/dbraw/zinc/71/84/38/1063718438.db2.gz BYFRQOCRQAGERG-KRWDZBQOSA-N 2 1 494.482 2.687 20 0 JFADMP C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291306588 1063718576 /nfs/dbraw/zinc/71/85/76/1063718576.db2.gz BYFRQOCRQAGERG-QGZVFWFLSA-N 2 1 494.482 2.687 20 0 JFADMP C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291306588 1063718590 /nfs/dbraw/zinc/71/85/90/1063718590.db2.gz BYFRQOCRQAGERG-QGZVFWFLSA-N 2 1 494.482 2.687 20 0 JFADMP CC[N@@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC001295821047 1063827478 /nfs/dbraw/zinc/82/74/78/1063827478.db2.gz LOVJLSOHEAALSE-OAQYLSRUSA-N 2 1 459.683 2.993 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001295825404 1063834666 /nfs/dbraw/zinc/83/46/66/1063834666.db2.gz XPNOKUWVJLPQQX-NRFANRHFSA-N 2 1 456.635 2.843 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001295830068 1063842916 /nfs/dbraw/zinc/84/29/16/1063842916.db2.gz LDZAODKSIFFSAR-AZUAARDMSA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001295830068 1063842920 /nfs/dbraw/zinc/84/29/20/1063842920.db2.gz LDZAODKSIFFSAR-AZUAARDMSA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833702 1063848829 /nfs/dbraw/zinc/84/88/29/1063848829.db2.gz BYTFNOGBGLZADV-RDGATRHJSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833702 1063848838 /nfs/dbraw/zinc/84/88/38/1063848838.db2.gz BYTFNOGBGLZADV-RDGATRHJSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC001295834370 1063850710 /nfs/dbraw/zinc/85/07/10/1063850710.db2.gz RNEDSIVCPBTVAL-UHFFFAOYSA-N 2 1 472.634 2.951 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC001295834370 1063850721 /nfs/dbraw/zinc/85/07/21/1063850721.db2.gz RNEDSIVCPBTVAL-UHFFFAOYSA-N 2 1 472.634 2.951 20 0 JFADMP CC[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC001295834370 1063850736 /nfs/dbraw/zinc/85/07/36/1063850736.db2.gz RNEDSIVCPBTVAL-UHFFFAOYSA-N 2 1 472.634 2.951 20 0 JFADMP CC[NH+](CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC001295834370 1063850746 /nfs/dbraw/zinc/85/07/46/1063850746.db2.gz RNEDSIVCPBTVAL-UHFFFAOYSA-N 2 1 472.634 2.951 20 0 JFADMP CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854850 1063883352 /nfs/dbraw/zinc/88/33/52/1063883352.db2.gz KTQOUOUNBVAVQB-NRFANRHFSA-N 2 1 480.579 2.972 20 0 JFADMP CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854850 1063883366 /nfs/dbraw/zinc/88/33/66/1063883366.db2.gz KTQOUOUNBVAVQB-NRFANRHFSA-N 2 1 480.579 2.972 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854850 1063883383 /nfs/dbraw/zinc/88/33/83/1063883383.db2.gz KTQOUOUNBVAVQB-NRFANRHFSA-N 2 1 480.579 2.972 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854850 1063883396 /nfs/dbraw/zinc/88/33/96/1063883396.db2.gz KTQOUOUNBVAVQB-NRFANRHFSA-N 2 1 480.579 2.972 20 0 JFADMP CC[N@H+](CCn1c(Cc2ccccc2C)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854851 1063883791 /nfs/dbraw/zinc/88/37/91/1063883791.db2.gz KTQOUOUNBVAVQB-OAQYLSRUSA-N 2 1 480.579 2.972 20 0 JFADMP CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854851 1063883804 /nfs/dbraw/zinc/88/38/04/1063883804.db2.gz KTQOUOUNBVAVQB-OAQYLSRUSA-N 2 1 480.579 2.972 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854851 1063883818 /nfs/dbraw/zinc/88/38/18/1063883818.db2.gz KTQOUOUNBVAVQB-OAQYLSRUSA-N 2 1 480.579 2.972 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854851 1063883831 /nfs/dbraw/zinc/88/38/31/1063883831.db2.gz KTQOUOUNBVAVQB-OAQYLSRUSA-N 2 1 480.579 2.972 20 0 JFADMP CC[N@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)C(C)C ZINC001295865479 1063897722 /nfs/dbraw/zinc/89/77/22/1063897722.db2.gz LDPPUSYKTNWWSJ-QFIPXVFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)C(C)C ZINC001295865479 1063897730 /nfs/dbraw/zinc/89/77/30/1063897730.db2.gz LDPPUSYKTNWWSJ-QFIPXVFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[NH+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C(C)C ZINC001295865479 1063897736 /nfs/dbraw/zinc/89/77/36/1063897736.db2.gz LDPPUSYKTNWWSJ-QFIPXVFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[NH+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C(C)C ZINC001295865479 1063897739 /nfs/dbraw/zinc/89/77/39/1063897739.db2.gz LDPPUSYKTNWWSJ-QFIPXVFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001295975243 1064018707 /nfs/dbraw/zinc/01/87/07/1064018707.db2.gz BHYDVERGVCEFJD-UXHICEINSA-N 2 1 454.623 2.720 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295976629 1064022453 /nfs/dbraw/zinc/02/24/53/1064022453.db2.gz HUINMYASCDUKKX-GOTSBHOMSA-N 2 1 496.704 2.548 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC001295978348 1064025466 /nfs/dbraw/zinc/02/54/66/1064025466.db2.gz RQMIINPXRAWSBY-SVFBPWRDSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978348 1064025470 /nfs/dbraw/zinc/02/54/70/1064025470.db2.gz RQMIINPXRAWSBY-SVFBPWRDSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978348 1064025477 /nfs/dbraw/zinc/02/54/77/1064025477.db2.gz RQMIINPXRAWSBY-SVFBPWRDSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295981033 1064031442 /nfs/dbraw/zinc/03/14/42/1064031442.db2.gz QNWXKOMCWFOFMW-TXVWBRJLSA-N 2 1 497.754 2.564 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295981033 1064031453 /nfs/dbraw/zinc/03/14/53/1064031453.db2.gz QNWXKOMCWFOFMW-TXVWBRJLSA-N 2 1 497.754 2.564 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC001295981033 1064031459 /nfs/dbraw/zinc/03/14/59/1064031459.db2.gz QNWXKOMCWFOFMW-TXVWBRJLSA-N 2 1 497.754 2.564 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001295984094 1064040714 /nfs/dbraw/zinc/04/07/14/1064040714.db2.gz KXJUAFBWTIELQW-AQNXPRMDSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001295984094 1064040719 /nfs/dbraw/zinc/04/07/19/1064040719.db2.gz KXJUAFBWTIELQW-AQNXPRMDSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001295990104 1064044968 /nfs/dbraw/zinc/04/49/68/1064044968.db2.gz DVFVJCFEEYLBES-UXHICEINSA-N 2 1 456.635 2.719 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003319 1064058280 /nfs/dbraw/zinc/05/82/80/1064058280.db2.gz SUXYLFBYIHHJJC-RTWAWAEBSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003319 1064058291 /nfs/dbraw/zinc/05/82/91/1064058291.db2.gz SUXYLFBYIHHJJC-RTWAWAEBSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003319 1064058299 /nfs/dbraw/zinc/05/82/99/1064058299.db2.gz SUXYLFBYIHHJJC-RTWAWAEBSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296003319 1064058309 /nfs/dbraw/zinc/05/83/09/1064058309.db2.gz SUXYLFBYIHHJJC-RTWAWAEBSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009928 1064067630 /nfs/dbraw/zinc/06/76/30/1064067630.db2.gz NVBDUFSHGDYFGY-XQBPLPMBSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296009928 1064067639 /nfs/dbraw/zinc/06/76/39/1064067639.db2.gz NVBDUFSHGDYFGY-XQBPLPMBSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001296010349 1064068035 /nfs/dbraw/zinc/06/80/35/1064068035.db2.gz BIOUQXKKSRWIGD-MOPGFXCFSA-N 2 1 462.639 2.964 20 0 JFADMP CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296040384 1064100234 /nfs/dbraw/zinc/10/02/34/1064100234.db2.gz UUZXZFSHBDGNIB-FQEVSTJZSA-N 2 1 456.635 2.843 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296040384 1064100237 /nfs/dbraw/zinc/10/02/37/1064100237.db2.gz UUZXZFSHBDGNIB-FQEVSTJZSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001296040384 1064100240 /nfs/dbraw/zinc/10/02/40/1064100240.db2.gz UUZXZFSHBDGNIB-FQEVSTJZSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001296040384 1064100245 /nfs/dbraw/zinc/10/02/45/1064100245.db2.gz UUZXZFSHBDGNIB-FQEVSTJZSA-N 2 1 456.635 2.843 20 0 JFADMP CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296040385 1064100320 /nfs/dbraw/zinc/10/03/20/1064100320.db2.gz UUZXZFSHBDGNIB-HXUWFJFHSA-N 2 1 456.635 2.843 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296040385 1064100321 /nfs/dbraw/zinc/10/03/21/1064100321.db2.gz UUZXZFSHBDGNIB-HXUWFJFHSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001296040385 1064100324 /nfs/dbraw/zinc/10/03/24/1064100324.db2.gz UUZXZFSHBDGNIB-HXUWFJFHSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(-c3cccc(OC)c3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001296040385 1064100327 /nfs/dbraw/zinc/10/03/27/1064100327.db2.gz UUZXZFSHBDGNIB-HXUWFJFHSA-N 2 1 456.635 2.843 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642590 1064192348 /nfs/dbraw/zinc/19/23/48/1064192348.db2.gz LPUHSATYTUDIJA-FGZHOGPDSA-N 2 1 484.693 2.534 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001296118683 1064201445 /nfs/dbraw/zinc/20/14/45/1064201445.db2.gz HBSGATWALGHSKK-NRFANRHFSA-N 2 1 459.683 2.656 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@@H]3C)CC2)CC1 ZINC001296118683 1064201449 /nfs/dbraw/zinc/20/14/49/1064201449.db2.gz HBSGATWALGHSKK-NRFANRHFSA-N 2 1 459.683 2.656 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001296123592 1064215684 /nfs/dbraw/zinc/21/56/84/1064215684.db2.gz CABJSKQTNGHUIF-JOCHJYFZSA-N 2 1 468.694 2.923 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001296123592 1064215694 /nfs/dbraw/zinc/21/56/94/1064215694.db2.gz CABJSKQTNGHUIF-JOCHJYFZSA-N 2 1 468.694 2.923 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001296123592 1064215704 /nfs/dbraw/zinc/21/57/04/1064215704.db2.gz CABJSKQTNGHUIF-JOCHJYFZSA-N 2 1 468.694 2.923 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296132590 1064230643 /nfs/dbraw/zinc/23/06/43/1064230643.db2.gz BTEOZPHXMRLWLR-ZRBLBEILSA-N 2 1 499.704 2.811 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001291761975 1064242794 /nfs/dbraw/zinc/24/27/94/1064242794.db2.gz RHNNQKWQFOUFOF-MSOLQXFVSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001291761975 1064242800 /nfs/dbraw/zinc/24/28/00/1064242800.db2.gz RHNNQKWQFOUFOF-MSOLQXFVSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001291761975 1064242810 /nfs/dbraw/zinc/24/28/10/1064242810.db2.gz RHNNQKWQFOUFOF-MSOLQXFVSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291764925 1064245671 /nfs/dbraw/zinc/24/56/71/1064245671.db2.gz HGXZOQHJLPWGIF-IBGZPJMESA-N 2 1 466.638 2.618 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291765880 1064247224 /nfs/dbraw/zinc/24/72/24/1064247224.db2.gz QZAZVPLUGDOZAH-OALUTQOASA-N 2 1 462.042 2.882 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291765880 1064247231 /nfs/dbraw/zinc/24/72/31/1064247231.db2.gz QZAZVPLUGDOZAH-OALUTQOASA-N 2 1 462.042 2.882 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251946 /nfs/dbraw/zinc/25/19/46/1064251946.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 2 1 472.037 2.654 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251951 /nfs/dbraw/zinc/25/19/51/1064251951.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 2 1 472.037 2.654 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C[C@@H]1C ZINC001296143255 1064251958 /nfs/dbraw/zinc/25/19/58/1064251958.db2.gz HCTKDSUBPSIDMC-IBGZPJMESA-N 2 1 472.037 2.654 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001291773498 1064258949 /nfs/dbraw/zinc/25/89/49/1064258949.db2.gz WBRQDYMFUCBBQP-SXWKCWPCSA-N 2 1 482.681 2.662 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001291773498 1064258961 /nfs/dbraw/zinc/25/89/61/1064258961.db2.gz WBRQDYMFUCBBQP-SXWKCWPCSA-N 2 1 482.681 2.662 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291773498 1064258968 /nfs/dbraw/zinc/25/89/68/1064258968.db2.gz WBRQDYMFUCBBQP-SXWKCWPCSA-N 2 1 482.681 2.662 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774048 1064260824 /nfs/dbraw/zinc/26/08/24/1064260824.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001291774048 1064260830 /nfs/dbraw/zinc/26/08/30/1064260830.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291774048 1064260837 /nfs/dbraw/zinc/26/08/37/1064260837.db2.gz KTZMIQFRAPDRLS-LADGPHEKSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001296153690 1064263349 /nfs/dbraw/zinc/26/33/49/1064263349.db2.gz CWPRQRUPRKUBGM-NRFANRHFSA-N 2 1 465.646 2.997 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1C ZINC001296154505 1064265378 /nfs/dbraw/zinc/26/53/78/1064265378.db2.gz GOGXMXLPJCIOGH-HXUWFJFHSA-N 2 1 490.722 2.887 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291781303 1064268419 /nfs/dbraw/zinc/26/84/19/1064268419.db2.gz DIIKHMYVAHTWDN-UYAOXDASSA-N 2 1 461.680 2.523 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291781303 1064268428 /nfs/dbraw/zinc/26/84/28/1064268428.db2.gz DIIKHMYVAHTWDN-UYAOXDASSA-N 2 1 461.680 2.523 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001296156944 1064269269 /nfs/dbraw/zinc/26/92/69/1064269269.db2.gz DDPPLTVYGATLOE-NJYVYQBISA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001296156944 1064269276 /nfs/dbraw/zinc/26/92/76/1064269276.db2.gz DDPPLTVYGATLOE-NJYVYQBISA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001296156944 1064269281 /nfs/dbraw/zinc/26/92/81/1064269281.db2.gz DDPPLTVYGATLOE-NJYVYQBISA-N 2 1 491.681 2.601 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[NH+](C)C(C)C)C[C@H]1C ZINC001296159216 1064272849 /nfs/dbraw/zinc/27/28/49/1064272849.db2.gz KZCIOYDADGBBDU-OAQYLSRUSA-N 2 1 469.682 2.713 20 0 JFADMP CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@H+](C)C(C)C)C[C@H]1C ZINC001296159216 1064272864 /nfs/dbraw/zinc/27/28/64/1064272864.db2.gz KZCIOYDADGBBDU-OAQYLSRUSA-N 2 1 469.682 2.713 20 0 JFADMP CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@@H+](C)C(C)C)C[C@H]1C ZINC001296159216 1064272879 /nfs/dbraw/zinc/27/28/79/1064272879.db2.gz KZCIOYDADGBBDU-OAQYLSRUSA-N 2 1 469.682 2.713 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@H](OC)C(C)C)C[C@H]1C ZINC001296165430 1064284720 /nfs/dbraw/zinc/28/47/20/1064284720.db2.gz JJGAWQFURJHSQJ-NOZRDPDXSA-N 2 1 483.705 2.844 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296165854 1064285526 /nfs/dbraw/zinc/28/55/26/1064285526.db2.gz BHXYVAANFRTOPQ-ISKFKSNPSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296165854 1064285545 /nfs/dbraw/zinc/28/55/45/1064285545.db2.gz BHXYVAANFRTOPQ-ISKFKSNPSA-N 2 1 454.663 2.951 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181583 1064316197 /nfs/dbraw/zinc/31/61/97/1064316197.db2.gz YCANLLUHZWZZFK-YADHBBJMSA-N 2 1 454.667 2.595 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181925 1064319852 /nfs/dbraw/zinc/31/98/52/1064319852.db2.gz HKOTUPGGHISRBT-QPPBQGQZSA-N 2 1 471.669 2.955 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192136 1064344143 /nfs/dbraw/zinc/34/41/43/1064344143.db2.gz MLGZQDSFIQNMBM-FCHUYYIVSA-N 2 1 461.699 2.714 20 0 JFADMP CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001296195433 1064361688 /nfs/dbraw/zinc/36/16/88/1064361688.db2.gz KKULWBPORZROJU-JOCHJYFZSA-N 2 1 469.678 2.902 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296195433 1064361700 /nfs/dbraw/zinc/36/17/00/1064361700.db2.gz KKULWBPORZROJU-JOCHJYFZSA-N 2 1 469.678 2.902 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001296195433 1064361713 /nfs/dbraw/zinc/36/17/13/1064361713.db2.gz KKULWBPORZROJU-JOCHJYFZSA-N 2 1 469.678 2.902 20 0 JFADMP CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001291954604 1064568444 /nfs/dbraw/zinc/56/84/44/1064568444.db2.gz VQTMLFJBPAXHEI-NHCUHLMSSA-N 2 1 468.650 2.966 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291966824 1064581268 /nfs/dbraw/zinc/58/12/68/1064581268.db2.gz DGHPKTZYUYBZAW-XZOQPEGZSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291966824 1064581277 /nfs/dbraw/zinc/58/12/77/1064581277.db2.gz DGHPKTZYUYBZAW-XZOQPEGZSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967940 1064583714 /nfs/dbraw/zinc/58/37/14/1064583714.db2.gz NSIOWXAWWBGTFZ-RRPUWOKSSA-N 2 1 462.683 2.838 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001292019367 1064657033 /nfs/dbraw/zinc/65/70/33/1064657033.db2.gz DVKXMAWIBILEJV-UWHLTILDSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC([NH+](CC)CC)CC2)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001292060677 1064729957 /nfs/dbraw/zinc/72/99/57/1064729957.db2.gz GKWYWGBWBXYTTF-LJQANCHMSA-N 2 1 470.666 2.966 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001292126681 1064876925 /nfs/dbraw/zinc/87/69/25/1064876925.db2.gz NJZHSAOVELMGHX-JTHBVZDNSA-N 2 1 489.709 2.618 20 0 JFADMP CCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001292867451 1065580176 /nfs/dbraw/zinc/58/01/76/1065580176.db2.gz KLJDYWYYFKEYQE-AWRGLXIESA-N 2 1 472.682 2.594 20 0 JFADMP CCc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001292867451 1065580187 /nfs/dbraw/zinc/58/01/87/1065580187.db2.gz KLJDYWYYFKEYQE-AWRGLXIESA-N 2 1 472.682 2.594 20 0 JFADMP CCc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001292867451 1065580196 /nfs/dbraw/zinc/58/01/96/1065580196.db2.gz KLJDYWYYFKEYQE-AWRGLXIESA-N 2 1 472.682 2.594 20 0 JFADMP CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC001293116080 1065762499 /nfs/dbraw/zinc/76/24/99/1065762499.db2.gz JCYYEGZWFXTBKC-CVDCTZTESA-N 2 1 456.635 2.842 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[NH+]2CC)CC[N@H+]1CCOC ZINC001293538953 1066056930 /nfs/dbraw/zinc/05/69/30/1066056930.db2.gz HLGMUFDOJWHDFD-FCHUYYIVSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001293538953 1066056940 /nfs/dbraw/zinc/05/69/40/1066056940.db2.gz HLGMUFDOJWHDFD-FCHUYYIVSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CC[NH+]1CCOC ZINC001293538953 1066056949 /nfs/dbraw/zinc/05/69/49/1066056949.db2.gz HLGMUFDOJWHDFD-FCHUYYIVSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293553602 1066068360 /nfs/dbraw/zinc/06/83/60/1066068360.db2.gz QWYFXHNLWALGLF-PGRDOPGGSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@H]1[NH+]1CCOCC1 ZINC001293553602 1066068368 /nfs/dbraw/zinc/06/83/68/1066068368.db2.gz QWYFXHNLWALGLF-PGRDOPGGSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293556940 1066071171 /nfs/dbraw/zinc/07/11/71/1066071171.db2.gz KQWOOQZSVFGFPJ-OFVILXPXSA-N 2 1 488.702 2.938 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293559737 1066074235 /nfs/dbraw/zinc/07/42/35/1066074235.db2.gz FKSPWELZEFLMDD-JOCHJYFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293559737 1066074246 /nfs/dbraw/zinc/07/42/46/1066074246.db2.gz FKSPWELZEFLMDD-JOCHJYFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293559737 1066074258 /nfs/dbraw/zinc/07/42/58/1066074258.db2.gz FKSPWELZEFLMDD-JOCHJYFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293559737 1066074264 /nfs/dbraw/zinc/07/42/64/1066074264.db2.gz FKSPWELZEFLMDD-JOCHJYFZSA-N 2 1 456.635 2.603 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001293566146 1066078980 /nfs/dbraw/zinc/07/89/80/1066078980.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566146 1066078988 /nfs/dbraw/zinc/07/89/88/1066078988.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566146 1066078999 /nfs/dbraw/zinc/07/89/99/1066078999.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001293566146 1066079008 /nfs/dbraw/zinc/07/90/08/1066079008.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001293566146 1066079016 /nfs/dbraw/zinc/07/90/16/1066079016.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566146 1066079027 /nfs/dbraw/zinc/07/90/27/1066079027.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001293566146 1066079036 /nfs/dbraw/zinc/07/90/36/1066079036.db2.gz CRDJPZAWNINIGN-QFIPXVFZSA-N 2 1 499.704 2.527 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001293592614 1066098213 /nfs/dbraw/zinc/09/82/13/1066098213.db2.gz BVDBJTSNKUKMJC-XZOQPEGZSA-N 2 1 462.683 2.841 20 0 JFADMP CC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293612274 1066128121 /nfs/dbraw/zinc/12/81/21/1066128121.db2.gz LOGWSKSKJUTYRR-FUPPJEDESA-N 2 1 455.651 2.541 20 0 JFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCCC4)nc(N4CC(=O)NC5(CC[NH2+]CC5)C4)c23)C1 ZINC001164390647 718809548 /nfs/dbraw/zinc/80/95/48/718809548.db2.gz BDDRFOQDHJDXCU-KRWDZBQOSA-N 2 1 468.671 2.860 20 0 JFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618266 719016758 /nfs/dbraw/zinc/01/67/58/719016758.db2.gz RSUQTNNATOUCPC-NJAFHUGGSA-N 2 1 455.628 2.896 20 0 JFADMP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4ccc(C[NH+]5CCCC5)cn4)C3)C2)cc[nH+]1 ZINC001164665430 719357522 /nfs/dbraw/zinc/35/75/22/719357522.db2.gz XCIDWJJWNXDXHP-RUZDIDTESA-N 2 1 451.619 2.657 20 0 JFADMP C[N@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]21 ZINC001164667819 719426129 /nfs/dbraw/zinc/42/61/29/719426129.db2.gz HIXZVKOQBKGMHB-VQTJNVASSA-N 2 1 468.985 2.916 20 0 JFADMP CC[C@@H]1C(=O)Nc2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681643 719620649 /nfs/dbraw/zinc/62/06/49/719620649.db2.gz KCPYGOYOBDBRED-HXUWFJFHSA-N 2 1 452.607 2.628 20 0 JFADMP CC[C@@H]1C(=O)Nc2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681643 719620656 /nfs/dbraw/zinc/62/06/56/719620656.db2.gz KCPYGOYOBDBRED-HXUWFJFHSA-N 2 1 452.607 2.628 20 0 JFADMP CC[C@H]1C(=O)N(C)c2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681250 719622160 /nfs/dbraw/zinc/62/21/60/719622160.db2.gz FFFBTMGBWXYCPD-FQEVSTJZSA-N 2 1 466.634 2.652 20 0 JFADMP CC[C@H]1C(=O)N(C)c2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2N1C1CCCC1 ZINC001164681250 719622164 /nfs/dbraw/zinc/62/21/64/719622164.db2.gz FFFBTMGBWXYCPD-FQEVSTJZSA-N 2 1 466.634 2.652 20 0 JFADMP Cc1sc2nc(CN3CCOCC3)nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679509 719638356 /nfs/dbraw/zinc/63/83/56/719638356.db2.gz DJFUAARODGTKPL-UHFFFAOYSA-N 2 1 469.659 2.812 20 0 JFADMP Cc1sc2nc(CN3CCOCC3)nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1C ZINC001164679509 719638365 /nfs/dbraw/zinc/63/83/65/719638365.db2.gz DJFUAARODGTKPL-UHFFFAOYSA-N 2 1 469.659 2.812 20 0 JFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164710797 720151961 /nfs/dbraw/zinc/15/19/61/720151961.db2.gz CSTQCYYNFYZIIT-QHCPKHFHSA-N 2 1 466.630 2.758 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3Cc1cccc(F)c1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719178 720184692 /nfs/dbraw/zinc/18/46/92/720184692.db2.gz TXTMZPFSQZLTIQ-HSZRJFAPSA-N 2 1 490.587 2.963 20 0 JFADMP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750048 720869588 /nfs/dbraw/zinc/86/95/88/720869588.db2.gz INQTVEAZCNLTFB-CPJSRVTESA-N 2 1 469.033 2.926 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccc[nH+]c1 ZINC001164754576 720876310 /nfs/dbraw/zinc/87/63/10/720876310.db2.gz SBGZXPKJRXSEQY-FNZWTVRRSA-N 2 1 476.581 2.846 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccc[nH+]c1 ZINC001164754576 720876311 /nfs/dbraw/zinc/87/63/11/720876311.db2.gz SBGZXPKJRXSEQY-FNZWTVRRSA-N 2 1 476.581 2.846 20 0 JFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164783606 721462561 /nfs/dbraw/zinc/46/25/61/721462561.db2.gz DPZHRSXCCGWFLK-QHCPKHFHSA-N 2 1 457.663 2.567 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869368 1061260146 /nfs/dbraw/zinc/26/01/46/1061260146.db2.gz DVKNWLACNRBDIV-REWPJTCUSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869368 1061260168 /nfs/dbraw/zinc/26/01/68/1061260168.db2.gz DVKNWLACNRBDIV-REWPJTCUSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C4CCCC4)n3CC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286869368 1061260185 /nfs/dbraw/zinc/26/01/85/1061260185.db2.gz DVKNWLACNRBDIV-REWPJTCUSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871404 1061271065 /nfs/dbraw/zinc/27/10/65/1061271065.db2.gz NUZQKMZQVBQWRH-ISKFKSNPSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871404 1061271083 /nfs/dbraw/zinc/27/10/83/1061271083.db2.gz NUZQKMZQVBQWRH-ISKFKSNPSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@H]2C)CC1 ZINC001286871404 1061271104 /nfs/dbraw/zinc/27/11/04/1061271104.db2.gz NUZQKMZQVBQWRH-ISKFKSNPSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C)C[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886143 1061327114 /nfs/dbraw/zinc/32/71/14/1061327114.db2.gz AXONABBZLCUCNO-MQSCRBSSSA-N 2 1 473.710 2.686 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286886261 1061328111 /nfs/dbraw/zinc/32/81/11/1061328111.db2.gz BQJPBPQBCXUOEM-TYPHKJRUSA-N 2 1 487.718 2.929 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001294214347 1061722572 /nfs/dbraw/zinc/72/25/72/1061722572.db2.gz HVMNRAJRYINSOR-VWLOTQADSA-N 2 1 456.635 2.987 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001294214347 1061722591 /nfs/dbraw/zinc/72/25/91/1061722591.db2.gz HVMNRAJRYINSOR-VWLOTQADSA-N 2 1 456.635 2.987 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294217416 1061727959 /nfs/dbraw/zinc/72/79/59/1061727959.db2.gz HABHAYBUPLPLJU-BWKNWUBXSA-N 2 1 497.688 2.674 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294217416 1061727979 /nfs/dbraw/zinc/72/79/79/1061727979.db2.gz HABHAYBUPLPLJU-BWKNWUBXSA-N 2 1 497.688 2.674 20 0 JFADMP Cc1ccccc1C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+](C)C(C)C)CC1 ZINC001290197005 1061938358 /nfs/dbraw/zinc/93/83/58/1061938358.db2.gz PIZSJSKKKBAKSD-UHFFFAOYSA-N 2 1 476.629 2.896 20 0 JFADMP CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001287034959 1062000178 /nfs/dbraw/zinc/00/01/78/1062000178.db2.gz CGKBBEYCRXWIQS-HSZRJFAPSA-N 2 1 476.710 2.652 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C1 ZINC001294456762 1062003938 /nfs/dbraw/zinc/00/39/38/1062003938.db2.gz JROBJMCMBGUZDU-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C1 ZINC001294456762 1062003962 /nfs/dbraw/zinc/00/39/62/1062003962.db2.gz JROBJMCMBGUZDU-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001294456762 1062003988 /nfs/dbraw/zinc/00/39/88/1062003988.db2.gz JROBJMCMBGUZDU-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001294456762 1062004013 /nfs/dbraw/zinc/00/40/13/1062004013.db2.gz JROBJMCMBGUZDU-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294474218 1062026759 /nfs/dbraw/zinc/02/67/59/1062026759.db2.gz OWNISYNORUFFOR-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294474218 1062026784 /nfs/dbraw/zinc/02/67/84/1062026784.db2.gz OWNISYNORUFFOR-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C1 ZINC001294475568 1062027923 /nfs/dbraw/zinc/02/79/23/1062027923.db2.gz WCXQQRDJAQMPOM-OAQYLSRUSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519888 1062056086 /nfs/dbraw/zinc/05/60/86/1062056086.db2.gz GTJXHJDUVMSBGB-DHIUTWEWSA-N 2 1 494.750 2.860 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417844 1062147545 /nfs/dbraw/zinc/14/75/45/1062147545.db2.gz PULMSYNOMWFXTK-IFMALSPDSA-N 2 1 475.707 2.769 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417854 1062148427 /nfs/dbraw/zinc/14/84/27/1062148427.db2.gz PULMSYNOMWFXTK-RBBKRZOGSA-N 2 1 475.707 2.769 20 0 JFADMP CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001294638970 1062154173 /nfs/dbraw/zinc/15/41/73/1062154173.db2.gz RNXLRTOOPCIGNB-ZFGGDYGUSA-N 2 1 473.710 2.902 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294646355 1062175427 /nfs/dbraw/zinc/17/54/27/1062175427.db2.gz KFEWTSLHGFCSGE-NRFANRHFSA-N 2 1 471.650 2.569 20 0 JFADMP CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646495 1062176499 /nfs/dbraw/zinc/17/64/99/1062176499.db2.gz LFQMJKMUJWWQMV-JOCHJYFZSA-N 2 1 485.677 2.959 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646495 1062176509 /nfs/dbraw/zinc/17/65/09/1062176509.db2.gz LFQMJKMUJWWQMV-JOCHJYFZSA-N 2 1 485.677 2.959 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646495 1062176519 /nfs/dbraw/zinc/17/65/19/1062176519.db2.gz LFQMJKMUJWWQMV-JOCHJYFZSA-N 2 1 485.677 2.959 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646495 1062176526 /nfs/dbraw/zinc/17/65/26/1062176526.db2.gz LFQMJKMUJWWQMV-JOCHJYFZSA-N 2 1 485.677 2.959 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)cs1 ZINC001290428210 1062180829 /nfs/dbraw/zinc/18/08/29/1062180829.db2.gz HKEIADFPTSQQAP-UHFFFAOYSA-N 2 1 475.707 2.790 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001290432335 1062194139 /nfs/dbraw/zinc/19/41/39/1062194139.db2.gz MPTLXRXFKGSTFK-FQEVSTJZSA-N 2 1 475.707 2.913 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[N@@H+]2CCC[C@H]2C)cs1 ZINC001290435052 1062202799 /nfs/dbraw/zinc/20/27/99/1062202799.db2.gz FRRYBAZMLVVNLY-LJQANCHMSA-N 2 1 461.680 2.665 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[N@H+]2CCC[C@H]2C)cs1 ZINC001290435052 1062202820 /nfs/dbraw/zinc/20/28/20/1062202820.db2.gz FRRYBAZMLVVNLY-LJQANCHMSA-N 2 1 461.680 2.665 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294663161 1062215825 /nfs/dbraw/zinc/21/58/25/1062215825.db2.gz RZRSNOWKZTWYTB-NHCUHLMSSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001294663161 1062215841 /nfs/dbraw/zinc/21/58/41/1062215841.db2.gz RZRSNOWKZTWYTB-NHCUHLMSSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001294663161 1062215862 /nfs/dbraw/zinc/21/58/62/1062215862.db2.gz RZRSNOWKZTWYTB-NHCUHLMSSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C[C@@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223358 /nfs/dbraw/zinc/22/33/58/1062223358.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223373 /nfs/dbraw/zinc/22/33/73/1062223373.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668769 1062223389 /nfs/dbraw/zinc/22/33/89/1062223389.db2.gz CMQBTBBZTQYQCK-DHIUTWEWSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C[C@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224281 /nfs/dbraw/zinc/22/42/81/1062224281.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224312 /nfs/dbraw/zinc/22/43/12/1062224312.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668770 1062224340 /nfs/dbraw/zinc/22/43/40/1062224340.db2.gz CMQBTBBZTQYQCK-GOTSBHOMSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCOC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294684610 1062244738 /nfs/dbraw/zinc/24/47/38/1062244738.db2.gz VAFUFMOGVNTTJV-HBMCJLEFSA-N 2 1 462.683 2.980 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294685917 1062246871 /nfs/dbraw/zinc/24/68/71/1062246871.db2.gz KTSJVUYAJIWCIV-VWLOTQADSA-N 2 1 456.635 2.543 20 0 JFADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294695560 1062256777 /nfs/dbraw/zinc/25/67/77/1062256777.db2.gz OBTVGGMEHFAZCT-NRFANRHFSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294695560 1062256803 /nfs/dbraw/zinc/25/68/03/1062256803.db2.gz OBTVGGMEHFAZCT-NRFANRHFSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001294695560 1062256820 /nfs/dbraw/zinc/25/68/20/1062256820.db2.gz OBTVGGMEHFAZCT-NRFANRHFSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001294695560 1062256841 /nfs/dbraw/zinc/25/68/41/1062256841.db2.gz OBTVGGMEHFAZCT-NRFANRHFSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001294708358 1062274669 /nfs/dbraw/zinc/27/46/69/1062274669.db2.gz IMQYIGRNEOAHKN-GGAORHGYSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001294708358 1062274693 /nfs/dbraw/zinc/27/46/93/1062274693.db2.gz IMQYIGRNEOAHKN-GGAORHGYSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294708358 1062274714 /nfs/dbraw/zinc/27/47/14/1062274714.db2.gz IMQYIGRNEOAHKN-GGAORHGYSA-N 2 1 455.651 2.685 20 0 JFADMP Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC001290503492 1062299444 /nfs/dbraw/zinc/29/94/44/1062299444.db2.gz IEXBHQWJUWJFEY-UHFFFAOYSA-N 2 1 456.639 2.856 20 0 JFADMP CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+](C)C(C)C)CC1 ZINC001294743930 1062334172 /nfs/dbraw/zinc/33/41/72/1062334172.db2.gz HQOHJXCKQQVDIC-QFIPXVFZSA-N 2 1 459.683 2.945 20 0 JFADMP CCC[NH+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC001294743930 1062334194 /nfs/dbraw/zinc/33/41/94/1062334194.db2.gz HQOHJXCKQQVDIC-QFIPXVFZSA-N 2 1 459.683 2.945 20 0 JFADMP CCC[NH+]1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001294743930 1062334208 /nfs/dbraw/zinc/33/42/08/1062334208.db2.gz HQOHJXCKQQVDIC-QFIPXVFZSA-N 2 1 459.683 2.945 20 0 JFADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001294757750 1062348078 /nfs/dbraw/zinc/34/80/78/1062348078.db2.gz NSUNHABAMBKOJH-XJUOHMSHSA-N 2 1 455.651 2.684 20 0 JFADMP CCC[N@@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294757750 1062348095 /nfs/dbraw/zinc/34/80/95/1062348095.db2.gz NSUNHABAMBKOJH-XJUOHMSHSA-N 2 1 455.651 2.684 20 0 JFADMP CCC[N@H+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294757750 1062348117 /nfs/dbraw/zinc/34/81/17/1062348117.db2.gz NSUNHABAMBKOJH-XJUOHMSHSA-N 2 1 455.651 2.684 20 0 JFADMP CCC[NH+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294757750 1062348137 /nfs/dbraw/zinc/34/81/37/1062348137.db2.gz NSUNHABAMBKOJH-XJUOHMSHSA-N 2 1 455.651 2.684 20 0 JFADMP CCC[NH+]1CCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001294757750 1062348158 /nfs/dbraw/zinc/34/81/58/1062348158.db2.gz NSUNHABAMBKOJH-XJUOHMSHSA-N 2 1 455.651 2.684 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001290562255 1062363235 /nfs/dbraw/zinc/36/32/35/1062363235.db2.gz CYTUBKACHAILCH-HXUWFJFHSA-N 2 1 480.661 2.522 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2C[C@@]2([NH+](C)C)CCSC2)n1 ZINC001290638705 1062521925 /nfs/dbraw/zinc/52/19/25/1062521925.db2.gz BCJIZJRFCMPCCN-DEOSSOPVSA-N 2 1 474.723 2.888 20 0 JFADMP CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001287201312 1062641521 /nfs/dbraw/zinc/64/15/21/1062641521.db2.gz DMTVFOCZOWUFRL-QHCPKHFHSA-N 2 1 462.683 2.840 20 0 JFADMP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001290769745 1062685285 /nfs/dbraw/zinc/68/52/85/1062685285.db2.gz KZRLJAKFWCNSJO-NRFANRHFSA-N 2 1 473.710 2.916 20 0 JFADMP Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1CC[NH+]1CCCC(C)(C)C1 ZINC001290876886 1062761352 /nfs/dbraw/zinc/76/13/52/1062761352.db2.gz QFKPQQHEMYPWCZ-UHFFFAOYSA-N 2 1 453.679 2.963 20 0 JFADMP Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001290876886 1062761369 /nfs/dbraw/zinc/76/13/69/1062761369.db2.gz QFKPQQHEMYPWCZ-UHFFFAOYSA-N 2 1 453.679 2.963 20 0 JFADMP Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001290876886 1062761385 /nfs/dbraw/zinc/76/13/85/1062761385.db2.gz QFKPQQHEMYPWCZ-UHFFFAOYSA-N 2 1 453.679 2.963 20 0 JFADMP CC(C)Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001287417587 1062855116 /nfs/dbraw/zinc/85/51/16/1062855116.db2.gz BBAFVHWVYWYYTM-TZRRMPRUSA-N 2 1 475.726 2.581 20 0 JFADMP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001290982661 1062869382 /nfs/dbraw/zinc/86/93/82/1062869382.db2.gz YPSHDHXPLIOQSX-AREMUKBSSA-N 2 1 452.599 2.724 20 0 JFADMP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290998144 1062890741 /nfs/dbraw/zinc/89/07/41/1062890741.db2.gz OBJFLJJUMVUGKY-ZCNNSNEGSA-N 2 1 497.754 2.612 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[NH+](CC)C[C@@H]2C)c1 ZINC001295126309 1062941217 /nfs/dbraw/zinc/94/12/17/1062941217.db2.gz DVLXDTGATVOPRL-RTWAWAEBSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c1 ZINC001295126309 1062941243 /nfs/dbraw/zinc/94/12/43/1062941243.db2.gz DVLXDTGATVOPRL-RTWAWAEBSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC001295126309 1062941270 /nfs/dbraw/zinc/94/12/70/1062941270.db2.gz DVLXDTGATVOPRL-RTWAWAEBSA-N 2 1 467.662 2.933 20 0 JFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096706 1063058365 /nfs/dbraw/zinc/05/83/65/1063058365.db2.gz JFJLBBGFRZBZJI-NJYVYQBISA-N 2 1 459.683 2.908 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+](C)C2CCCC2)CC1 ZINC001287749083 1063073057 /nfs/dbraw/zinc/07/30/57/1063073057.db2.gz DILGYFVIDBYRJF-VWLOTQADSA-N 2 1 462.683 2.971 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001287750879 1063075940 /nfs/dbraw/zinc/07/59/40/1063075940.db2.gz OOMQCUOXFUFZCS-JOCHJYFZSA-N 2 1 477.451 2.552 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103259 1063079843 /nfs/dbraw/zinc/07/98/43/1063079843.db2.gz ASHAJUGLQRVSIT-SFTDATJTSA-N 2 1 459.683 2.991 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCC[C@H](C)C2)CC1 ZINC001291126102 1063153315 /nfs/dbraw/zinc/15/33/15/1063153315.db2.gz GRGVZHJUVKOBSC-FQEVSTJZSA-N 2 1 454.623 2.578 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001291126102 1063153328 /nfs/dbraw/zinc/15/33/28/1063153328.db2.gz GRGVZHJUVKOBSC-FQEVSTJZSA-N 2 1 454.623 2.578 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001291126102 1063153340 /nfs/dbraw/zinc/15/33/40/1063153340.db2.gz GRGVZHJUVKOBSC-FQEVSTJZSA-N 2 1 454.623 2.578 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295334682 1063242389 /nfs/dbraw/zinc/24/23/89/1063242389.db2.gz SHBANJABNVDECJ-HSZRJFAPSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295334682 1063242408 /nfs/dbraw/zinc/24/24/08/1063242408.db2.gz SHBANJABNVDECJ-HSZRJFAPSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295334682 1063242425 /nfs/dbraw/zinc/24/24/25/1063242425.db2.gz SHBANJABNVDECJ-HSZRJFAPSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295334682 1063242442 /nfs/dbraw/zinc/24/24/42/1063242442.db2.gz SHBANJABNVDECJ-HSZRJFAPSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[NH+]2CC)CC1 ZINC001295334857 1063243871 /nfs/dbraw/zinc/24/38/71/1063243871.db2.gz UWGGCZXGKIQZMV-XMMPIXPASA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[NH+]2CC)CC1 ZINC001295334857 1063243892 /nfs/dbraw/zinc/24/38/92/1063243892.db2.gz UWGGCZXGKIQZMV-XMMPIXPASA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001295334857 1063243907 /nfs/dbraw/zinc/24/39/07/1063243907.db2.gz UWGGCZXGKIQZMV-XMMPIXPASA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001295334857 1063243928 /nfs/dbraw/zinc/24/39/28/1063243928.db2.gz UWGGCZXGKIQZMV-XMMPIXPASA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001295335045 1063248557 /nfs/dbraw/zinc/24/85/57/1063248557.db2.gz XAFDFKYQISYRAF-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001295335045 1063248576 /nfs/dbraw/zinc/24/85/76/1063248576.db2.gz XAFDFKYQISYRAF-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295335045 1063248593 /nfs/dbraw/zinc/24/85/93/1063248593.db2.gz XAFDFKYQISYRAF-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295335045 1063248616 /nfs/dbraw/zinc/24/86/16/1063248616.db2.gz XAFDFKYQISYRAF-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCCC[NH+]1CCC(C)CC1 ZINC001291179638 1063268974 /nfs/dbraw/zinc/26/89/74/1063268974.db2.gz ISVKBBXYGHLZMN-JOCHJYFZSA-N 2 1 489.709 2.618 20 0 JFADMP C[C@@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001291187968 1063298984 /nfs/dbraw/zinc/29/89/84/1063298984.db2.gz BZBWOLHIZUFSBR-NHCUHLMSSA-N 2 1 489.709 2.599 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001295364738 1063327152 /nfs/dbraw/zinc/32/71/52/1063327152.db2.gz HHLQMJIUZHSXLE-UXHICEINSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[NH+](CCOC)CC1 ZINC001295374272 1063343090 /nfs/dbraw/zinc/34/30/90/1063343090.db2.gz WEFLLGAETWMEBC-HXUWFJFHSA-N 2 1 453.635 2.936 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001295378713 1063349262 /nfs/dbraw/zinc/34/92/62/1063349262.db2.gz JAYPHZVKWIFUDX-VIZSFHNOSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001295384087 1063358297 /nfs/dbraw/zinc/35/82/97/1063358297.db2.gz FIMHNBQWXHMPKI-YADHBBJMSA-N 2 1 467.662 2.842 20 0 JFADMP C[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291209860 1063385259 /nfs/dbraw/zinc/38/52/59/1063385259.db2.gz SHLDRGZQPQNZKK-FUHIMQAGSA-N 2 1 477.451 2.815 20 0 JFADMP C[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291209862 1063385468 /nfs/dbraw/zinc/38/54/68/1063385468.db2.gz SHLDRGZQPQNZKK-MBOZVWFJSA-N 2 1 477.451 2.815 20 0 JFADMP C[C@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291226209 1063472886 /nfs/dbraw/zinc/47/28/86/1063472886.db2.gz FAPGSXTWSFKVJQ-HLIPFELVSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482609 1063503473 /nfs/dbraw/zinc/50/34/73/1063503473.db2.gz UYCMXRMFJBVNSK-JOCHJYFZSA-N 2 1 496.704 2.841 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC001295490696 1063518063 /nfs/dbraw/zinc/51/80/63/1063518063.db2.gz FLIHCVUIINBJTH-HSZRJFAPSA-N 2 1 495.716 2.914 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001295503270 1063538005 /nfs/dbraw/zinc/53/80/05/1063538005.db2.gz KROJHAKPGDMHDV-VXKWHMMOSA-N 2 1 459.683 2.947 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001295506329 1063543072 /nfs/dbraw/zinc/54/30/72/1063543072.db2.gz JTUNNRSPMCIBSA-RTWAWAEBSA-N 2 1 488.702 2.859 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001295511071 1063545604 /nfs/dbraw/zinc/54/56/04/1063545604.db2.gz ATIPVLAMVOCDEY-FCHUYYIVSA-N 2 1 457.667 2.809 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001295511072 1063545764 /nfs/dbraw/zinc/54/57/64/1063545764.db2.gz ATIPVLAMVOCDEY-FGZHOGPDSA-N 2 1 457.667 2.809 20 0 JFADMP C[C@@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292682 1063677512 /nfs/dbraw/zinc/67/75/12/1063677512.db2.gz IAJFFXBBLJXDCH-FGZHOGPDSA-N 2 1 462.683 2.526 20 0 JFADMP C[C@H]1C[N@@H+](CCCn2c(N3CC[NH+](CC4CCOCC4)CC3)nnc2C(C)(C)C)CCCO1 ZINC001291294520 1063690404 /nfs/dbraw/zinc/69/04/04/1063690404.db2.gz KXTGFCLPVWFUDX-NRFANRHFSA-N 2 1 462.683 2.625 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(C)C ZINC001295829328 1063841009 /nfs/dbraw/zinc/84/10/09/1063841009.db2.gz HKHYGVAIAQSQSR-AREMUKBSSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)C(C)C ZINC001295829328 1063841021 /nfs/dbraw/zinc/84/10/21/1063841021.db2.gz HKHYGVAIAQSQSR-AREMUKBSSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295848035 1063871453 /nfs/dbraw/zinc/87/14/53/1063871453.db2.gz GREGDNZSCQUMSF-HSZRJFAPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295848035 1063871462 /nfs/dbraw/zinc/87/14/62/1063871462.db2.gz GREGDNZSCQUMSF-HSZRJFAPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295848035 1063871467 /nfs/dbraw/zinc/87/14/67/1063871467.db2.gz GREGDNZSCQUMSF-HSZRJFAPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854679 1063884057 /nfs/dbraw/zinc/88/40/57/1063884057.db2.gz YCGMSDOQXHLPMV-MOPGFXCFSA-N 2 1 488.599 2.746 20 0 JFADMP CC[NH+](CCn1c([C@H]2CCOC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854679 1063884064 /nfs/dbraw/zinc/88/40/64/1063884064.db2.gz YCGMSDOQXHLPMV-MOPGFXCFSA-N 2 1 488.599 2.746 20 0 JFADMP CC[NH+](CCn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295854679 1063884072 /nfs/dbraw/zinc/88/40/72/1063884072.db2.gz YCGMSDOQXHLPMV-MOPGFXCFSA-N 2 1 488.599 2.746 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001295975475 1064019338 /nfs/dbraw/zinc/01/93/38/1064019338.db2.gz DJYREEHEWZOTMJ-VQTJNVASSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001295975475 1064019341 /nfs/dbraw/zinc/01/93/41/1064019341.db2.gz DJYREEHEWZOTMJ-VQTJNVASSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001295977438 1064023320 /nfs/dbraw/zinc/02/33/20/1064023320.db2.gz KPVVLVJNVVHYSE-WFXMLNOXSA-N 2 1 459.614 2.777 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C ZINC001295977440 1064023506 /nfs/dbraw/zinc/02/35/06/1064023506.db2.gz KQMCRNFHULMJFC-PMACEKPBSA-N 2 1 468.650 2.647 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001295977863 1064025123 /nfs/dbraw/zinc/02/51/23/1064025123.db2.gz QGRKKPLZRVDKAD-IXDOHACOSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001295977863 1064025127 /nfs/dbraw/zinc/02/51/27/1064025127.db2.gz QGRKKPLZRVDKAD-IXDOHACOSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001295977863 1064025134 /nfs/dbraw/zinc/02/51/34/1064025134.db2.gz QGRKKPLZRVDKAD-IXDOHACOSA-N 2 1 480.455 2.675 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001295977863 1064025140 /nfs/dbraw/zinc/02/51/40/1064025140.db2.gz QGRKKPLZRVDKAD-IXDOHACOSA-N 2 1 480.455 2.675 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001295979647 1064027958 /nfs/dbraw/zinc/02/79/58/1064027958.db2.gz WVJJYVQECSSSMA-OTWHNJEPSA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001295979647 1064027965 /nfs/dbraw/zinc/02/79/65/1064027965.db2.gz WVJJYVQECSSSMA-OTWHNJEPSA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001295979647 1064027968 /nfs/dbraw/zinc/02/79/68/1064027968.db2.gz WVJJYVQECSSSMA-OTWHNJEPSA-N 2 1 474.675 2.750 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029435 /nfs/dbraw/zinc/02/94/35/1064029435.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 2 1 497.688 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[NH+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029441 /nfs/dbraw/zinc/02/94/41/1064029441.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029447 /nfs/dbraw/zinc/02/94/47/1064029447.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 2 1 497.688 2.604 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@H]1C ZINC001295980172 1064029451 /nfs/dbraw/zinc/02/94/51/1064029451.db2.gz QVMDUSVTEUKKIL-BHIFYINESA-N 2 1 497.688 2.604 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@@H](C)C[NH+]1CCCC1 ZINC001291471084 1064033002 /nfs/dbraw/zinc/03/30/02/1064033002.db2.gz YVLQUVHDBVEFBG-GRSYGWAWSA-N 2 1 473.710 2.902 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001295982020 1064033276 /nfs/dbraw/zinc/03/32/76/1064033276.db2.gz VZHURBVXKRREFH-VSKRKVRLSA-N 2 1 459.683 2.945 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001295982020 1064033279 /nfs/dbraw/zinc/03/32/79/1064033279.db2.gz VZHURBVXKRREFH-VSKRKVRLSA-N 2 1 459.683 2.945 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001295982020 1064033285 /nfs/dbraw/zinc/03/32/85/1064033285.db2.gz VZHURBVXKRREFH-VSKRKVRLSA-N 2 1 459.683 2.945 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001295986257 1064042971 /nfs/dbraw/zinc/04/29/71/1064042971.db2.gz UXJSGCSMIHNOFQ-VQTJNVASSA-N 2 1 451.619 2.990 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001295998068 1064054851 /nfs/dbraw/zinc/05/48/51/1064054851.db2.gz SQJXVIAMZJREJX-QNWVGRARSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001295998068 1064054858 /nfs/dbraw/zinc/05/48/58/1064054858.db2.gz SQJXVIAMZJREJX-QNWVGRARSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001295998068 1064054867 /nfs/dbraw/zinc/05/48/67/1064054867.db2.gz SQJXVIAMZJREJX-QNWVGRARSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296003438 1064058879 /nfs/dbraw/zinc/05/88/79/1064058879.db2.gz UEWGTFFORHWLSD-YADHBBJMSA-N 2 1 454.663 2.943 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296008349 1064061709 /nfs/dbraw/zinc/06/17/09/1064061709.db2.gz GYXXXSIRGFPKLJ-FUPPJEDESA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296008349 1064061716 /nfs/dbraw/zinc/06/17/16/1064061716.db2.gz GYXXXSIRGFPKLJ-FUPPJEDESA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296008349 1064061723 /nfs/dbraw/zinc/06/17/23/1064061723.db2.gz GYXXXSIRGFPKLJ-FUPPJEDESA-N 2 1 455.651 2.540 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296008351 1064061743 /nfs/dbraw/zinc/06/17/43/1064061743.db2.gz GYXXXSIRGFPKLJ-GIWBLDEGSA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296008351 1064061748 /nfs/dbraw/zinc/06/17/48/1064061748.db2.gz GYXXXSIRGFPKLJ-GIWBLDEGSA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296008351 1064061754 /nfs/dbraw/zinc/06/17/54/1064061754.db2.gz GYXXXSIRGFPKLJ-GIWBLDEGSA-N 2 1 455.651 2.540 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001296009528 1064064974 /nfs/dbraw/zinc/06/49/74/1064064974.db2.gz LCLMPWKPEAMNFG-CNNODRBYSA-N 2 1 471.625 2.761 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013589 1064074654 /nfs/dbraw/zinc/07/46/54/1064074654.db2.gz OEBRMOIGSFVZGX-LLINQDLYSA-N 2 1 492.709 2.809 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296013854 1064075074 /nfs/dbraw/zinc/07/50/74/1064075074.db2.gz OUFKKQOBWFXDIH-ACRUOGEOSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001296013854 1064075083 /nfs/dbraw/zinc/07/50/83/1064075083.db2.gz OUFKKQOBWFXDIH-ACRUOGEOSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001296013854 1064075091 /nfs/dbraw/zinc/07/50/91/1064075091.db2.gz OUFKKQOBWFXDIH-ACRUOGEOSA-N 2 1 474.625 2.762 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001291579633 1064106688 /nfs/dbraw/zinc/10/66/88/1064106688.db2.gz KDTFUOILNHVPSE-WWPVKYPJSA-N 2 1 485.652 2.976 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[NH+](C(C)C)CC2)C1 ZINC001296052390 1064114043 /nfs/dbraw/zinc/11/40/43/1064114043.db2.gz RGXNLTNYDXUEPC-LJQANCHMSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@@H+](C(C)C)CC2)C1 ZINC001296052390 1064114047 /nfs/dbraw/zinc/11/40/47/1064114047.db2.gz RGXNLTNYDXUEPC-LJQANCHMSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[N@H+](C(C)C)CC2)C1 ZINC001296052390 1064114052 /nfs/dbraw/zinc/11/40/52/1064114052.db2.gz RGXNLTNYDXUEPC-LJQANCHMSA-N 2 1 459.664 2.532 20 0 JFADMP CC[N@@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071493 1064135927 /nfs/dbraw/zinc/13/59/27/1064135927.db2.gz HQQFYGCJPGFQHK-UEXGIBASSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071493 1064135930 /nfs/dbraw/zinc/13/59/30/1064135930.db2.gz HQQFYGCJPGFQHK-UEXGIBASSA-N 2 1 461.680 2.664 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071493 1064135934 /nfs/dbraw/zinc/13/59/34/1064135934.db2.gz HQQFYGCJPGFQHK-UEXGIBASSA-N 2 1 461.680 2.664 20 0 JFADMP CC[NH+]1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001296071493 1064135940 /nfs/dbraw/zinc/13/59/40/1064135940.db2.gz HQQFYGCJPGFQHK-UEXGIBASSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296084735 1064152212 /nfs/dbraw/zinc/15/22/12/1064152212.db2.gz ODVHCOQIHYBDHJ-NHCUHLMSSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296084735 1064152216 /nfs/dbraw/zinc/15/22/16/1064152216.db2.gz ODVHCOQIHYBDHJ-NHCUHLMSSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296084735 1064152221 /nfs/dbraw/zinc/15/22/21/1064152221.db2.gz ODVHCOQIHYBDHJ-NHCUHLMSSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291620250 1064158800 /nfs/dbraw/zinc/15/88/00/1064158800.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620250 1064158801 /nfs/dbraw/zinc/15/88/01/1064158801.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620250 1064158802 /nfs/dbraw/zinc/15/88/02/1064158802.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291620250 1064158803 /nfs/dbraw/zinc/15/88/03/1064158803.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291620250 1064158804 /nfs/dbraw/zinc/15/88/04/1064158804.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620250 1064158807 /nfs/dbraw/zinc/15/88/07/1064158807.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620250 1064158808 /nfs/dbraw/zinc/15/88/08/1064158808.db2.gz HXWCTLNHABTDGH-NHCUHLMSSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296088425 1064158859 /nfs/dbraw/zinc/15/88/59/1064158859.db2.gz LAIXYCNIALNOEN-IRLDBZIGSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296088425 1064158864 /nfs/dbraw/zinc/15/88/64/1064158864.db2.gz LAIXYCNIALNOEN-IRLDBZIGSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296088425 1064158870 /nfs/dbraw/zinc/15/88/70/1064158870.db2.gz LAIXYCNIALNOEN-IRLDBZIGSA-N 2 1 486.661 2.994 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291620251 1064158842 /nfs/dbraw/zinc/15/88/42/1064158842.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620251 1064158845 /nfs/dbraw/zinc/15/88/45/1064158845.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620251 1064158851 /nfs/dbraw/zinc/15/88/51/1064158851.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291620251 1064158855 /nfs/dbraw/zinc/15/88/55/1064158855.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291620251 1064158860 /nfs/dbraw/zinc/15/88/60/1064158860.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620251 1064158865 /nfs/dbraw/zinc/15/88/65/1064158865.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620251 1064158871 /nfs/dbraw/zinc/15/88/71/1064158871.db2.gz HXWCTLNHABTDGH-RTWAWAEBSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620518 1064159951 /nfs/dbraw/zinc/15/99/51/1064159951.db2.gz JWCKOQONOFTNBH-SELNLUPBSA-N 2 1 450.697 2.918 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001296093678 1064165954 /nfs/dbraw/zinc/16/59/54/1064165954.db2.gz PVJQTJIDFOWSOG-OAQYLSRUSA-N 2 1 459.683 2.833 20 0 JFADMP CC[N@@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296095341 1064168370 /nfs/dbraw/zinc/16/83/70/1064168370.db2.gz HTUJHIDHBBVEEK-QFIPXVFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001296095341 1064168373 /nfs/dbraw/zinc/16/83/73/1064168373.db2.gz HTUJHIDHBBVEEK-QFIPXVFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001296095341 1064168376 /nfs/dbraw/zinc/16/83/76/1064168376.db2.gz HTUJHIDHBBVEEK-QFIPXVFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001296095341 1064168377 /nfs/dbraw/zinc/16/83/77/1064168377.db2.gz HTUJHIDHBBVEEK-QFIPXVFZSA-N 2 1 472.682 2.561 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642597 1064192326 /nfs/dbraw/zinc/19/23/26/1064192326.db2.gz LPUHSATYTUDIJA-YADHBBJMSA-N 2 1 484.693 2.534 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3C[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)CC1 ZINC001296118957 1064202700 /nfs/dbraw/zinc/20/27/00/1064202700.db2.gz MJCXOKHXZJZSQJ-DEOSSOPVSA-N 2 1 485.652 2.799 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccnc4)n3CC(C)(C)C[NH+](C)C)CC2)CC1 ZINC001296119794 1064205978 /nfs/dbraw/zinc/20/59/78/1064205978.db2.gz XBNWEQLPMWXDRK-UHFFFAOYSA-N 2 1 496.704 2.699 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296127604 1064221627 /nfs/dbraw/zinc/22/16/27/1064221627.db2.gz VLLYVLBHAYYGBY-NRFANRHFSA-N 2 1 469.678 2.947 20 0 JFADMP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296132227 1064228930 /nfs/dbraw/zinc/22/89/30/1064228930.db2.gz RYHRQAJAZKMLRE-NRFANRHFSA-N 2 1 459.708 2.877 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296132227 1064228938 /nfs/dbraw/zinc/22/89/38/1064228938.db2.gz RYHRQAJAZKMLRE-NRFANRHFSA-N 2 1 459.708 2.877 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296132227 1064228943 /nfs/dbraw/zinc/22/89/43/1064228943.db2.gz RYHRQAJAZKMLRE-NRFANRHFSA-N 2 1 459.708 2.877 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296132587 1064230563 /nfs/dbraw/zinc/23/05/63/1064230563.db2.gz BTEOZPHXMRLWLR-DNVJHFABSA-N 2 1 499.704 2.811 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001291762599 1064243698 /nfs/dbraw/zinc/24/36/98/1064243698.db2.gz YXOLBMRMNDIEAU-VQTJNVASSA-N 2 1 454.623 2.720 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296137475 1064243910 /nfs/dbraw/zinc/24/39/10/1064243910.db2.gz PJBAEJZSCOHETQ-NHCUHLMSSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137475 1064243920 /nfs/dbraw/zinc/24/39/20/1064243920.db2.gz PJBAEJZSCOHETQ-NHCUHLMSSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137475 1064243929 /nfs/dbraw/zinc/24/39/29/1064243929.db2.gz PJBAEJZSCOHETQ-NHCUHLMSSA-N 2 1 455.651 2.857 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291763379 1064244412 /nfs/dbraw/zinc/24/44/12/1064244412.db2.gz WHZMYIQVWFCFOU-ZWOKBUDYSA-N 2 1 494.482 2.923 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291763379 1064244418 /nfs/dbraw/zinc/24/44/18/1064244418.db2.gz WHZMYIQVWFCFOU-ZWOKBUDYSA-N 2 1 494.482 2.923 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001291763798 1064244747 /nfs/dbraw/zinc/24/47/47/1064244747.db2.gz XJZCGAAVNZKYHH-MRXNPFEDSA-N 2 1 468.444 2.534 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1 ZINC001291763798 1064244756 /nfs/dbraw/zinc/24/47/56/1064244756.db2.gz XJZCGAAVNZKYHH-MRXNPFEDSA-N 2 1 468.444 2.534 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142454 1064249411 /nfs/dbraw/zinc/24/94/11/1064249411.db2.gz LOFLTDQNKLUJPB-FKBYEOEOSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142454 1064249420 /nfs/dbraw/zinc/24/94/20/1064249420.db2.gz LOFLTDQNKLUJPB-FKBYEOEOSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001296142454 1064249426 /nfs/dbraw/zinc/24/94/26/1064249426.db2.gz LOFLTDQNKLUJPB-FKBYEOEOSA-N 2 1 470.662 2.979 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296145920 1064256234 /nfs/dbraw/zinc/25/62/34/1064256234.db2.gz HCXSTCTXFFGCJB-IBGZPJMESA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+](C)C2CCCC2)C[C@H]1C ZINC001296147627 1064258424 /nfs/dbraw/zinc/25/84/24/1064258424.db2.gz PTOFJKSNUFRTPO-LJQANCHMSA-N 2 1 474.675 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+](C)C2CCCC2)C[C@H]1C ZINC001296147627 1064258430 /nfs/dbraw/zinc/25/84/30/1064258430.db2.gz PTOFJKSNUFRTPO-LJQANCHMSA-N 2 1 474.675 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001296147627 1064258435 /nfs/dbraw/zinc/25/84/35/1064258435.db2.gz PTOFJKSNUFRTPO-LJQANCHMSA-N 2 1 474.675 2.753 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001296148281 1064259305 /nfs/dbraw/zinc/25/93/05/1064259305.db2.gz VNRZXYXTLIKGHR-UXHICEINSA-N 2 1 454.623 2.578 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@@H]1C ZINC001296157458 1064269887 /nfs/dbraw/zinc/26/98/87/1064269887.db2.gz XPEWBLWBJDVOKV-ZJOUEHCJSA-N 2 1 453.635 2.889 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[NH+](C)C(C)C)C[C@@H]1C ZINC001296159215 1064272965 /nfs/dbraw/zinc/27/29/65/1064272965.db2.gz KZCIOYDADGBBDU-NRFANRHFSA-N 2 1 469.682 2.713 20 0 JFADMP CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@H+](C)C(C)C)C[C@@H]1C ZINC001296159215 1064272979 /nfs/dbraw/zinc/27/29/79/1064272979.db2.gz KZCIOYDADGBBDU-NRFANRHFSA-N 2 1 469.682 2.713 20 0 JFADMP CC[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC[N@@H+](C)C(C)C)C[C@@H]1C ZINC001296159215 1064272988 /nfs/dbraw/zinc/27/29/88/1064272988.db2.gz KZCIOYDADGBBDU-NRFANRHFSA-N 2 1 469.682 2.713 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291782954 1064273996 /nfs/dbraw/zinc/27/39/96/1064273996.db2.gz WAZSPZDXYFILIB-AOHZBQACSA-N 2 1 454.663 2.951 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291782954 1064274005 /nfs/dbraw/zinc/27/40/05/1064274005.db2.gz WAZSPZDXYFILIB-AOHZBQACSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291414 /nfs/dbraw/zinc/29/14/14/1064291414.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291423 /nfs/dbraw/zinc/29/14/23/1064291423.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167879 1064291437 /nfs/dbraw/zinc/29/14/37/1064291437.db2.gz VHXJMGUGQLQJLQ-UPVQGACJSA-N 2 1 470.662 2.787 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3CC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296181762 1064317716 /nfs/dbraw/zinc/31/77/16/1064317716.db2.gz CEFFUOPSAKPVBV-QHCPKHFHSA-N 2 1 488.750 2.969 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181853 1064319133 /nfs/dbraw/zinc/31/91/33/1064319133.db2.gz FLLICMMMARYFAI-JTHBVZDNSA-N 2 1 471.669 2.955 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@H]2C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019365 1064656993 /nfs/dbraw/zinc/65/69/93/1064656993.db2.gz DVKXMAWIBILEJV-JSXRDJHFSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019365 1064656998 /nfs/dbraw/zinc/65/69/98/1064656998.db2.gz DVKXMAWIBILEJV-JSXRDJHFSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019365 1064657001 /nfs/dbraw/zinc/65/70/01/1064657001.db2.gz DVKXMAWIBILEJV-JSXRDJHFSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001292019366 1064657054 /nfs/dbraw/zinc/65/70/54/1064657054.db2.gz DVKXMAWIBILEJV-TUFLPTIASA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029701 1064683174 /nfs/dbraw/zinc/68/31/74/1064683174.db2.gz DYEZXTWAUPYFRM-RXVVDRJESA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029701 1064683177 /nfs/dbraw/zinc/68/31/77/1064683177.db2.gz DYEZXTWAUPYFRM-RXVVDRJESA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029699 1064683212 /nfs/dbraw/zinc/68/32/12/1064683212.db2.gz DYEZXTWAUPYFRM-GHTZIAJQSA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029699 1064683218 /nfs/dbraw/zinc/68/32/18/1064683218.db2.gz DYEZXTWAUPYFRM-GHTZIAJQSA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCC[N@@H+]1CC ZINC001292109202 1064806952 /nfs/dbraw/zinc/80/69/52/1064806952.db2.gz GESBKPPTSXHQBK-FYYLOGMGSA-N 2 1 489.709 2.620 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H]1CCCC[N@H+]1CC ZINC001292109202 1064806958 /nfs/dbraw/zinc/80/69/58/1064806958.db2.gz GESBKPPTSXHQBK-FYYLOGMGSA-N 2 1 489.709 2.620 20 0 JFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1cccc(I)c1 ZINC001292581670 1065298886 /nfs/dbraw/zinc/29/88/86/1065298886.db2.gz DTCFJOWJAMZRHH-QGZVFWFLSA-N 2 1 459.372 2.545 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001292892480 1065590298 /nfs/dbraw/zinc/59/02/98/1065590298.db2.gz DRRIKEGDLRNEJN-PXDATVDWSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892480 1065590309 /nfs/dbraw/zinc/59/03/09/1065590309.db2.gz DRRIKEGDLRNEJN-PXDATVDWSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001292892480 1065590320 /nfs/dbraw/zinc/59/03/20/1065590320.db2.gz DRRIKEGDLRNEJN-PXDATVDWSA-N 2 1 481.689 2.719 20 0 JFADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893441 1065594082 /nfs/dbraw/zinc/59/40/82/1065594082.db2.gz OBAMSMJCHNOMMM-DHLKQENFSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893441 1065594087 /nfs/dbraw/zinc/59/40/87/1065594087.db2.gz OBAMSMJCHNOMMM-DHLKQENFSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893441 1065594096 /nfs/dbraw/zinc/59/40/96/1065594096.db2.gz OBAMSMJCHNOMMM-DHLKQENFSA-N 2 1 481.689 2.742 20 0 JFADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC001292921047 1065606535 /nfs/dbraw/zinc/60/65/35/1065606535.db2.gz UFVJGJFESXFGOL-FGZHOGPDSA-N 2 1 454.640 2.633 20 0 JFADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)CC1 ZINC001292921047 1065606540 /nfs/dbraw/zinc/60/65/40/1065606540.db2.gz UFVJGJFESXFGOL-FGZHOGPDSA-N 2 1 454.640 2.633 20 0 JFADMP CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001292951824 1065632376 /nfs/dbraw/zinc/63/23/76/1065632376.db2.gz KAYZZSIVKAKVAS-QFIPXVFZSA-N 2 1 487.718 2.976 20 0 JFADMP CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001292953030 1065633947 /nfs/dbraw/zinc/63/39/47/1065633947.db2.gz ZBLANDBHECSANI-JOCHJYFZSA-N 2 1 473.710 2.876 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1Cc1cccc(C[N@H+](C)CC)c1 ZINC001293132051 1065784515 /nfs/dbraw/zinc/78/45/15/1065784515.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 2 1 483.705 2.572 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001293132051 1065784531 /nfs/dbraw/zinc/78/45/31/1065784531.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 2 1 483.705 2.572 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1Cc1cccc(C[NH+](C)CC)c1 ZINC001293132051 1065784540 /nfs/dbraw/zinc/78/45/40/1065784540.db2.gz UVPQZQBDAYYIGM-VWLOTQADSA-N 2 1 483.705 2.572 20 0 JFADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1 ZINC001293203502 1065831482 /nfs/dbraw/zinc/83/14/82/1065831482.db2.gz JOXSACLUFNZHJM-XNMGPUDCSA-N 2 1 451.611 2.824 20 0 JFADMP CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001293359141 1065963498 /nfs/dbraw/zinc/96/34/98/1065963498.db2.gz LNVKOLYTCINGRA-BJKOFHAPSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001293359141 1065963504 /nfs/dbraw/zinc/96/35/04/1065963504.db2.gz LNVKOLYTCINGRA-BJKOFHAPSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001293359144 1065963803 /nfs/dbraw/zinc/96/38/03/1065963803.db2.gz LNVKOLYTCINGRA-ZEQRLZLVSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001293359144 1065963812 /nfs/dbraw/zinc/96/38/12/1065963812.db2.gz LNVKOLYTCINGRA-ZEQRLZLVSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361388 1065965059 /nfs/dbraw/zinc/96/50/59/1065965059.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001293361388 1065965075 /nfs/dbraw/zinc/96/50/75/1065965075.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293361388 1065965090 /nfs/dbraw/zinc/96/50/90/1065965090.db2.gz AGIGBFAVMXKWRB-BJKOFHAPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@@H+](CC(=O)N(CCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1F)C1CC1 ZINC001293384229 1065985749 /nfs/dbraw/zinc/98/57/49/1065985749.db2.gz UPVAQKVWUAMVQV-UHFFFAOYSA-N 2 1 455.416 2.649 20 0 JFADMP CC[C@@H]1CN(c2nnc(C)n2C[C@@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001293530369 1066049433 /nfs/dbraw/zinc/04/94/33/1066049433.db2.gz OUSVLYHYCNLWJA-GGAORHGYSA-N 2 1 456.635 2.979 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001293592702 1066098145 /nfs/dbraw/zinc/09/81/45/1066098145.db2.gz CVWYRDJZDHJFHG-MZYLBHOOSA-N 2 1 474.625 2.771 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC001293603344 1066120022 /nfs/dbraw/zinc/12/00/22/1066120022.db2.gz XKUBKLUIUJBUKL-NHCUHLMSSA-N 2 1 464.724 2.851 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293612278 1066128091 /nfs/dbraw/zinc/12/80/91/1066128091.db2.gz LOGWSKSKJUTYRR-XJUOHMSHSA-N 2 1 455.651 2.541 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293624118 1066140164 /nfs/dbraw/zinc/14/01/64/1066140164.db2.gz VCNHIZYLQKGIDR-QPPBQGQZSA-N 2 1 464.724 2.995 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC001294076527 1066546028 /nfs/dbraw/zinc/54/60/28/1066546028.db2.gz KLVZHJLYZGPHBH-JOCHJYFZSA-N 2 1 472.682 2.880 20 0 JFADMP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(C[NH+]3CCCC3)nc3sc4c(c31)CCCC4)C2 ZINC001164414937 718885645 /nfs/dbraw/zinc/88/56/45/718885645.db2.gz AXHRMUZTWITSSJ-UHFFFAOYSA-N 2 1 464.643 2.856 20 0 JFADMP C[NH+]1CCN(Cc2cc3nc(N4CCCC[C@H]4C4CC[NH2+]CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164417361 718892479 /nfs/dbraw/zinc/89/24/79/718892479.db2.gz JNTQXWOFZJNHPB-QHCPKHFHSA-N 2 1 499.729 2.634 20 0 JFADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164433715 718969037 /nfs/dbraw/zinc/96/90/37/718969037.db2.gz MYWPBGCUEXXIHO-DHIUTWEWSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164433715 718969041 /nfs/dbraw/zinc/96/90/41/718969041.db2.gz MYWPBGCUEXXIHO-DHIUTWEWSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618268 719017616 /nfs/dbraw/zinc/01/76/16/719017616.db2.gz RSUQTNNATOUCPC-SZMVWBNQSA-N 2 1 455.628 2.896 20 0 JFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613957 719017725 /nfs/dbraw/zinc/01/77/25/719017725.db2.gz ARGVEQGFNCULOT-RYQLBKOJSA-N 2 1 455.628 2.896 20 0 JFADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001164682887 719630169 /nfs/dbraw/zinc/63/01/69/719630169.db2.gz PQLRBNWIMDKRDG-UHFFFAOYSA-N 2 1 487.652 2.711 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001164682887 719630176 /nfs/dbraw/zinc/63/01/76/719630176.db2.gz PQLRBNWIMDKRDG-UHFFFAOYSA-N 2 1 487.652 2.711 20 0 JFADMP CC(C)N(C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681981 719631175 /nfs/dbraw/zinc/63/11/75/719631175.db2.gz KPRKTWGAIHCOIC-LJQANCHMSA-N 2 1 497.688 2.552 20 0 JFADMP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH+]ccc4c3NC(=O)CO4)CC2)c2ccccc21 ZINC001164680078 719670373 /nfs/dbraw/zinc/67/03/73/719670373.db2.gz BLFOYSTUCMKABG-SFHVURJKSA-N 2 1 463.582 2.506 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164822560 720313186 /nfs/dbraw/zinc/31/31/86/720313186.db2.gz NAJWURPFPSCMHC-FTJBHMTQSA-N 2 1 474.653 2.946 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164822560 720313195 /nfs/dbraw/zinc/31/31/95/720313195.db2.gz NAJWURPFPSCMHC-FTJBHMTQSA-N 2 1 474.653 2.946 20 0 JFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744543 720820688 /nfs/dbraw/zinc/82/06/88/720820688.db2.gz VDLOOFVQCDWRFU-SVFBPWRDSA-N 2 1 457.026 2.568 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1C[NH+]1CC[C@@H](CO)C1 ZINC001164770406 721293756 /nfs/dbraw/zinc/29/37/56/721293756.db2.gz RWDUVUVOLCTXIK-HXUWFJFHSA-N 2 1 455.647 2.803 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[NH+](CC2CC2)C3)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164770406 721293759 /nfs/dbraw/zinc/29/37/59/721293759.db2.gz RWDUVUVOLCTXIK-HXUWFJFHSA-N 2 1 455.647 2.803 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2CC3(C2)CC[NH+](CC2CC2)C3)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001164770406 721293763 /nfs/dbraw/zinc/29/37/63/721293763.db2.gz RWDUVUVOLCTXIK-HXUWFJFHSA-N 2 1 455.647 2.803 20 0 JFADMP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)CCC2 ZINC001165000571 722253002 /nfs/dbraw/zinc/25/30/02/722253002.db2.gz SKWLLIBBGULNFM-UHFFFAOYSA-N 2 1 461.614 2.720 20 0 JFADMP C[NH+](C)CCOCc1ncn2c1CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)CCC2 ZINC001165000571 722253007 /nfs/dbraw/zinc/25/30/07/722253007.db2.gz SKWLLIBBGULNFM-UHFFFAOYSA-N 2 1 461.614 2.720 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@@H]2C)CC1 ZINC001286868463 1061257107 /nfs/dbraw/zinc/25/71/07/1061257107.db2.gz AHWAWGBGQXQWCJ-RBBKRZOGSA-N 2 1 473.710 2.730 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC[NH+]3CCC(C)CC3)C[C@@H]2C)CC1 ZINC001286869520 1061262686 /nfs/dbraw/zinc/26/26/86/1061262686.db2.gz FJQNKPIIWPHLMM-LADGPHEKSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001286869918 1061264569 /nfs/dbraw/zinc/26/45/69/1061264569.db2.gz GQKXPWKBXIUUTK-QZNHQXDQSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001286869918 1061264586 /nfs/dbraw/zinc/26/45/86/1061264586.db2.gz GQKXPWKBXIUUTK-QZNHQXDQSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@H](C)C3)C[C@H]2C)CC1 ZINC001286869918 1061264606 /nfs/dbraw/zinc/26/46/06/1061264606.db2.gz GQKXPWKBXIUUTK-QZNHQXDQSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871688 1061272868 /nfs/dbraw/zinc/27/28/68/1061272868.db2.gz OWEGEUNXBXUNJX-RBBKRZOGSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871688 1061272887 /nfs/dbraw/zinc/27/28/87/1061272887.db2.gz OWEGEUNXBXUNJX-RBBKRZOGSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871688 1061272903 /nfs/dbraw/zinc/27/29/03/1061272903.db2.gz OWEGEUNXBXUNJX-RBBKRZOGSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871486 1061273106 /nfs/dbraw/zinc/27/31/06/1061273106.db2.gz OWEGEUNXBXUNJX-IFMALSPDSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871486 1061273126 /nfs/dbraw/zinc/27/31/26/1061273126.db2.gz OWEGEUNXBXUNJX-IFMALSPDSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871486 1061273149 /nfs/dbraw/zinc/27/31/49/1061273149.db2.gz OWEGEUNXBXUNJX-IFMALSPDSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872782 1061281028 /nfs/dbraw/zinc/28/10/28/1061281028.db2.gz XWXRCYBBXLLCDB-OFNKIYASSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872782 1061281045 /nfs/dbraw/zinc/28/10/45/1061281045.db2.gz XWXRCYBBXLLCDB-OFNKIYASSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@H]2C)CC1 ZINC001286872782 1061281063 /nfs/dbraw/zinc/28/10/63/1061281063.db2.gz XWXRCYBBXLLCDB-OFNKIYASSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886259 1061328217 /nfs/dbraw/zinc/32/82/17/1061328217.db2.gz BQJPBPQBCXUOEM-HMXCVIKNSA-N 2 1 487.718 2.929 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286886258 1061328380 /nfs/dbraw/zinc/32/83/80/1061328380.db2.gz BQJPBPQBCXUOEM-CEWLAPEOSA-N 2 1 487.718 2.929 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@@H]2C)CC1 ZINC001286886558 1061329837 /nfs/dbraw/zinc/32/98/37/1061329837.db2.gz FRWJHZKDYDFJFN-UNMCSNQZSA-N 2 1 473.710 2.829 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286886611 1061329937 /nfs/dbraw/zinc/32/99/37/1061329937.db2.gz GFWQUIHQGNADSH-AKIFATBCSA-N 2 1 473.710 2.685 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286886613 1061330345 /nfs/dbraw/zinc/33/03/45/1061330345.db2.gz GFWQUIHQGNADSH-YMPZKCBVSA-N 2 1 473.710 2.685 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@H]2C)CC1 ZINC001286886681 1061330472 /nfs/dbraw/zinc/33/04/72/1061330472.db2.gz HMPKZOYXFIHSJU-IFMALSPDSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886974 1061332055 /nfs/dbraw/zinc/33/20/55/1061332055.db2.gz LIEWYTHLPYXJSJ-DHLKQENFSA-N 2 1 481.689 2.912 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886974 1061332075 /nfs/dbraw/zinc/33/20/75/1061332075.db2.gz LIEWYTHLPYXJSJ-DHLKQENFSA-N 2 1 481.689 2.912 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C)CC1 ZINC001286887469 1061336623 /nfs/dbraw/zinc/33/66/23/1061336623.db2.gz RNTWRFMIRYQLQG-YMPZKCBVSA-N 2 1 459.683 2.511 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3C[C@H](C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286888397 1061340562 /nfs/dbraw/zinc/34/05/62/1061340562.db2.gz YJIKUHSAZLYIIL-KGVIQGDOSA-N 2 1 474.053 2.537 20 0 JFADMP CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294212031 1061717684 /nfs/dbraw/zinc/71/76/84/1061717684.db2.gz YCAYMRMJINHUCY-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP CCCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294212031 1061717702 /nfs/dbraw/zinc/71/77/02/1061717702.db2.gz YCAYMRMJINHUCY-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP CCCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294212031 1061717718 /nfs/dbraw/zinc/71/77/18/1061717718.db2.gz YCAYMRMJINHUCY-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP Cc1cccc(C[NH+]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)CC2)c1 ZINC001290034028 1061750315 /nfs/dbraw/zinc/75/03/15/1061750315.db2.gz ONWRLITXYANHTQ-UHFFFAOYSA-N 2 1 467.662 2.875 20 0 JFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(C(=O)OC(C)(C)C)CCOCC1 ZINC001294300750 1061789429 /nfs/dbraw/zinc/78/94/29/1061789429.db2.gz YHXLWOSZQQPNKV-UHFFFAOYSA-N 2 1 451.652 2.780 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CCC[NH+]2CCOCC2)CC1 ZINC001287041189 1062008727 /nfs/dbraw/zinc/00/87/27/1062008727.db2.gz HENFMKYVQRJILZ-UHFFFAOYSA-N 2 1 455.651 2.544 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001287042097 1062011045 /nfs/dbraw/zinc/01/10/45/1062011045.db2.gz ZIGWWSSLIHXVRS-UHFFFAOYSA-N 2 1 469.678 2.933 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001287042097 1062011068 /nfs/dbraw/zinc/01/10/68/1062011068.db2.gz ZIGWWSSLIHXVRS-UHFFFAOYSA-N 2 1 469.678 2.933 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294461934 1062011827 /nfs/dbraw/zinc/01/18/27/1062011827.db2.gz FWAFPNGNGYCCFY-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294461934 1062011849 /nfs/dbraw/zinc/01/18/49/1062011849.db2.gz FWAFPNGNGYCCFY-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294465144 1062014844 /nfs/dbraw/zinc/01/48/44/1062014844.db2.gz ZZTYTKLBKCLDHA-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294465144 1062014867 /nfs/dbraw/zinc/01/48/67/1062014867.db2.gz ZZTYTKLBKCLDHA-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294465144 1062014891 /nfs/dbraw/zinc/01/48/91/1062014891.db2.gz ZZTYTKLBKCLDHA-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294465144 1062014911 /nfs/dbraw/zinc/01/49/11/1062014911.db2.gz ZZTYTKLBKCLDHA-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294470426 1062024484 /nfs/dbraw/zinc/02/44/84/1062024484.db2.gz LMAUGMWPRHPHQQ-DVECYGJZSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294470426 1062024506 /nfs/dbraw/zinc/02/45/06/1062024506.db2.gz LMAUGMWPRHPHQQ-DVECYGJZSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294470426 1062024527 /nfs/dbraw/zinc/02/45/27/1062024527.db2.gz LMAUGMWPRHPHQQ-DVECYGJZSA-N 2 1 477.053 2.745 20 0 JFADMP CCC[N@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001294523793 1062060673 /nfs/dbraw/zinc/06/06/73/1062060673.db2.gz YFFAOZCEWAEPRY-UHFFFAOYSA-N 2 1 461.699 2.733 20 0 JFADMP CCC[N@@H+](CC)CCn1c(CC(C)(C)C)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001294523793 1062060697 /nfs/dbraw/zinc/06/06/97/1062060697.db2.gz YFFAOZCEWAEPRY-UHFFFAOYSA-N 2 1 461.699 2.733 20 0 JFADMP CCC[NH+](CC)CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001294523793 1062060721 /nfs/dbraw/zinc/06/07/21/1062060721.db2.gz YFFAOZCEWAEPRY-UHFFFAOYSA-N 2 1 461.699 2.733 20 0 JFADMP CCC[NH+](CC)CCn1c(CC(C)(C)C)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001294523793 1062060732 /nfs/dbraw/zinc/06/07/32/1062060732.db2.gz YFFAOZCEWAEPRY-UHFFFAOYSA-N 2 1 461.699 2.733 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294524798 1062061969 /nfs/dbraw/zinc/06/19/69/1062061969.db2.gz RCTWGEZIBZWQJV-QPPBQGQZSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294524798 1062061990 /nfs/dbraw/zinc/06/19/90/1062061990.db2.gz RCTWGEZIBZWQJV-QPPBQGQZSA-N 2 1 467.662 2.666 20 0 JFADMP CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001294528584 1062064848 /nfs/dbraw/zinc/06/48/48/1062064848.db2.gz DRLNNOLERHRUAP-SFTDATJTSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001294528584 1062064863 /nfs/dbraw/zinc/06/48/63/1062064863.db2.gz DRLNNOLERHRUAP-SFTDATJTSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[NH+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294528584 1062064872 /nfs/dbraw/zinc/06/48/72/1062064872.db2.gz DRLNNOLERHRUAP-SFTDATJTSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[NH+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294528584 1062064899 /nfs/dbraw/zinc/06/48/99/1062064899.db2.gz DRLNNOLERHRUAP-SFTDATJTSA-N 2 1 491.681 2.603 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC(C[NH+]4CCOCC4)CC3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290416583 1062138676 /nfs/dbraw/zinc/13/86/76/1062138676.db2.gz BQWHHOPGZNSORN-UHFFFAOYSA-N 2 1 461.680 2.523 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001294631995 1062139116 /nfs/dbraw/zinc/13/91/16/1062139116.db2.gz DXMCEFKKGPJLJI-ORFBVSJDSA-N 2 1 459.683 2.849 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294648760 1062190201 /nfs/dbraw/zinc/19/02/01/1062190201.db2.gz TZJZOFJMFLHJNZ-QHCPKHFHSA-N 2 1 481.689 2.976 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[N@@H+]2CCC[C@@H]2C)cs1 ZINC001290435051 1062202670 /nfs/dbraw/zinc/20/26/70/1062202670.db2.gz FRRYBAZMLVVNLY-IBGZPJMESA-N 2 1 461.680 2.665 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[N@H+]2CCC[C@@H]2C)cs1 ZINC001290435051 1062202694 /nfs/dbraw/zinc/20/26/94/1062202694.db2.gz FRRYBAZMLVVNLY-IBGZPJMESA-N 2 1 461.680 2.665 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](CC4CCOCC4)CC3)n2CCC[N@H+](C)C(C)C)cs1 ZINC001290435579 1062205553 /nfs/dbraw/zinc/20/55/53/1062205553.db2.gz UZLYVQBTFPGFPJ-UHFFFAOYSA-N 2 1 475.707 2.913 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC001294663162 1062215939 /nfs/dbraw/zinc/21/59/39/1062215939.db2.gz RZRSNOWKZTWYTB-RTWAWAEBSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC001294663162 1062215958 /nfs/dbraw/zinc/21/59/58/1062215958.db2.gz RZRSNOWKZTWYTB-RTWAWAEBSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccccc3F)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC001294663162 1062215976 /nfs/dbraw/zinc/21/59/76/1062215976.db2.gz RZRSNOWKZTWYTB-RTWAWAEBSA-N 2 1 458.626 2.897 20 0 JFADMP CCC[N@@H+]1CC[C@@H](Cn2c(N3CCC[NH+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671507 1062231139 /nfs/dbraw/zinc/23/11/39/1062231139.db2.gz XSYFWOACOQTOLN-OAQYLSRUSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CCC[NH+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671507 1062231157 /nfs/dbraw/zinc/23/11/57/1062231157.db2.gz XSYFWOACOQTOLN-OAQYLSRUSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCC[N@H+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671507 1062231175 /nfs/dbraw/zinc/23/11/75/1062231175.db2.gz XSYFWOACOQTOLN-OAQYLSRUSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCC[N@@H+](CC(=O)N(CC)CC)CC3)nnc2C(C)(C)C)C1 ZINC001294671507 1062231197 /nfs/dbraw/zinc/23/11/97/1062231197.db2.gz XSYFWOACOQTOLN-OAQYLSRUSA-N 2 1 461.699 2.688 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(OC)c3)n2CCC[NH+]2CCOCC2)CC1 ZINC001294676834 1062237875 /nfs/dbraw/zinc/23/78/75/1062237875.db2.gz FMTPGPSOLYABEL-UHFFFAOYSA-N 2 1 456.635 2.987 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001294687839 1062248048 /nfs/dbraw/zinc/24/80/48/1062248048.db2.gz RJFPSFVHOUFRFX-DEOSSOPVSA-N 2 1 469.678 2.931 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001294693222 1062253243 /nfs/dbraw/zinc/25/32/43/1062253243.db2.gz OGRZNDQYFPKVFB-JTHBVZDNSA-N 2 1 461.699 2.714 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708071 1062273611 /nfs/dbraw/zinc/27/36/11/1062273611.db2.gz QPSDTGRRIPTDES-GOTSBHOMSA-N 2 1 489.709 2.775 20 0 JFADMP Cc1[nH+]ccn1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001290521744 1062321495 /nfs/dbraw/zinc/32/14/95/1062321495.db2.gz NYRBSRFAOYBKFB-UHFFFAOYSA-N 2 1 471.631 2.521 20 0 JFADMP Cc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290872342 1062758091 /nfs/dbraw/zinc/75/80/91/1062758091.db2.gz ZFNXRXPBJRCKIS-FYYLOGMGSA-N 2 1 470.643 2.513 20 0 JFADMP CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001287335473 1062813955 /nfs/dbraw/zinc/81/39/55/1062813955.db2.gz VQYKDEXTUOTMIU-ZEQRLZLVSA-N 2 1 499.679 2.727 20 0 JFADMP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001290998139 1062891028 /nfs/dbraw/zinc/89/10/28/1062891028.db2.gz OBJFLJJUMVUGKY-HSALFYBXSA-N 2 1 497.754 2.612 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001287461762 1062899822 /nfs/dbraw/zinc/89/98/22/1062899822.db2.gz CARUNYMZHDMOPL-XPWALMASSA-N 2 1 487.737 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001287461762 1062899845 /nfs/dbraw/zinc/89/98/45/1062899845.db2.gz CARUNYMZHDMOPL-XPWALMASSA-N 2 1 487.737 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001287461762 1062899858 /nfs/dbraw/zinc/89/98/58/1062899858.db2.gz CARUNYMZHDMOPL-XPWALMASSA-N 2 1 487.737 2.976 20 0 JFADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[NH+](C(C)(C)C)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001291012676 1062918192 /nfs/dbraw/zinc/91/81/92/1062918192.db2.gz CSYGCCWINNECQV-QHAWAJNXSA-N 2 1 497.754 2.567 20 0 JFADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001291012676 1062918216 /nfs/dbraw/zinc/91/82/16/1062918216.db2.gz CSYGCCWINNECQV-QHAWAJNXSA-N 2 1 497.754 2.567 20 0 JFADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001291012676 1062918234 /nfs/dbraw/zinc/91/82/34/1062918234.db2.gz CSYGCCWINNECQV-QHAWAJNXSA-N 2 1 497.754 2.567 20 0 JFADMP CC(C)[NH+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)C(C)C ZINC001291061945 1062998836 /nfs/dbraw/zinc/99/88/36/1062998836.db2.gz FFAQJPCANSUIHI-KOENEWCDSA-N 2 1 494.750 3.000 20 0 JFADMP C[C@@H]1CCC[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102265 1063076826 /nfs/dbraw/zinc/07/68/26/1063076826.db2.gz JYIVCZLBXFJBKR-NHCUHLMSSA-N 2 1 489.709 2.534 20 0 JFADMP C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102265 1063076846 /nfs/dbraw/zinc/07/68/46/1063076846.db2.gz JYIVCZLBXFJBKR-NHCUHLMSSA-N 2 1 489.709 2.534 20 0 JFADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)C1 ZINC001291103394 1063080512 /nfs/dbraw/zinc/08/05/12/1063080512.db2.gz DALJJMJSGYXNMY-NRFANRHFSA-N 2 1 473.710 2.831 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001291103369 1063080850 /nfs/dbraw/zinc/08/08/50/1063080850.db2.gz CQRBNYHWFCGWSE-UXHICEINSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001291103369 1063080873 /nfs/dbraw/zinc/08/08/73/1063080873.db2.gz CQRBNYHWFCGWSE-UXHICEINSA-N 2 1 473.691 2.920 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@H](C)C1 ZINC001291107076 1063095749 /nfs/dbraw/zinc/09/57/49/1063095749.db2.gz FVQJZAJMLDRFGO-VXKWHMMOSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CCC[C@H](C)C1 ZINC001291107076 1063095761 /nfs/dbraw/zinc/09/57/61/1063095761.db2.gz FVQJZAJMLDRFGO-VXKWHMMOSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC001291107076 1063095782 /nfs/dbraw/zinc/09/57/82/1063095782.db2.gz FVQJZAJMLDRFGO-VXKWHMMOSA-N 2 1 469.678 2.931 20 0 JFADMP C[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)[N@H+]1CCC[C@H](C)C1 ZINC001291107076 1063095807 /nfs/dbraw/zinc/09/58/07/1063095807.db2.gz FVQJZAJMLDRFGO-VXKWHMMOSA-N 2 1 469.678 2.931 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770459 1063097583 /nfs/dbraw/zinc/09/75/83/1063097583.db2.gz UIOARFBUDUYXSZ-IRLDBZIGSA-N 2 1 453.635 2.528 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291128895 1063167715 /nfs/dbraw/zinc/16/77/15/1063167715.db2.gz FKLWQFJSQSURBA-OAQYLSRUSA-N 2 1 459.683 2.689 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128895 1063167717 /nfs/dbraw/zinc/16/77/17/1063167717.db2.gz FKLWQFJSQSURBA-OAQYLSRUSA-N 2 1 459.683 2.689 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291128895 1063167723 /nfs/dbraw/zinc/16/77/23/1063167723.db2.gz FKLWQFJSQSURBA-OAQYLSRUSA-N 2 1 459.683 2.689 20 0 JFADMP C[C@H]1CCC[N@H+](CCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291129955 1063175398 /nfs/dbraw/zinc/17/53/98/1063175398.db2.gz XUHGJXIDSACNNN-QFIPXVFZSA-N 2 1 469.678 2.790 20 0 JFADMP C[C@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291129955 1063175416 /nfs/dbraw/zinc/17/54/16/1063175416.db2.gz XUHGJXIDSACNNN-QFIPXVFZSA-N 2 1 469.678 2.790 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001295326765 1063215140 /nfs/dbraw/zinc/21/51/40/1063215140.db2.gz ACBXDBIABZYOQN-QFIPXVFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001295326765 1063215157 /nfs/dbraw/zinc/21/51/57/1063215157.db2.gz ACBXDBIABZYOQN-QFIPXVFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001295326765 1063215177 /nfs/dbraw/zinc/21/51/77/1063215177.db2.gz ACBXDBIABZYOQN-QFIPXVFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001295326765 1063215194 /nfs/dbraw/zinc/21/51/94/1063215194.db2.gz ACBXDBIABZYOQN-QFIPXVFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295327128 1063220735 /nfs/dbraw/zinc/22/07/35/1063220735.db2.gz OKBIMFOTLJBZLG-QHCPKHFHSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295327128 1063220752 /nfs/dbraw/zinc/22/07/52/1063220752.db2.gz OKBIMFOTLJBZLG-QHCPKHFHSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295327128 1063220780 /nfs/dbraw/zinc/22/07/80/1063220780.db2.gz OKBIMFOTLJBZLG-QHCPKHFHSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295327128 1063220802 /nfs/dbraw/zinc/22/08/02/1063220802.db2.gz OKBIMFOTLJBZLG-QHCPKHFHSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001295327521 1063223927 /nfs/dbraw/zinc/22/39/27/1063223927.db2.gz WEKOJQOJFTWUEW-FQEVSTJZSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001295327521 1063223948 /nfs/dbraw/zinc/22/39/48/1063223948.db2.gz WEKOJQOJFTWUEW-FQEVSTJZSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295327521 1063223967 /nfs/dbraw/zinc/22/39/67/1063223967.db2.gz WEKOJQOJFTWUEW-FQEVSTJZSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295327521 1063223988 /nfs/dbraw/zinc/22/39/88/1063223988.db2.gz WEKOJQOJFTWUEW-FQEVSTJZSA-N 2 1 471.650 2.711 20 0 JFADMP CC(C)OCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144183 1063224978 /nfs/dbraw/zinc/22/49/78/1063224978.db2.gz KKEPVORWLXLXNB-QHCPKHFHSA-N 2 1 469.678 2.931 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)CC1 ZINC001295334019 1063234601 /nfs/dbraw/zinc/23/46/01/1063234601.db2.gz FWLFEICVWUKDFO-UHFFFAOYSA-N 2 1 473.710 2.877 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CCCC3)n2CC[NH+]2CCCCC2)CC1 ZINC001295334019 1063234617 /nfs/dbraw/zinc/23/46/17/1063234617.db2.gz FWLFEICVWUKDFO-UHFFFAOYSA-N 2 1 473.710 2.877 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295371000 1063336613 /nfs/dbraw/zinc/33/66/13/1063336613.db2.gz OEBSJPGQSZVJDM-LGVFNWMJSA-N 2 1 497.688 2.673 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001291210207 1063386664 /nfs/dbraw/zinc/38/66/64/1063386664.db2.gz YBLKAOJDMPUSBF-BWKNWUBXSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210207 1063386682 /nfs/dbraw/zinc/38/66/82/1063386682.db2.gz YBLKAOJDMPUSBF-BWKNWUBXSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210207 1063386709 /nfs/dbraw/zinc/38/67/09/1063386709.db2.gz YBLKAOJDMPUSBF-BWKNWUBXSA-N 2 1 462.683 2.970 20 0 JFADMP C[C@@H](Cn1c(-c2ccccc2Br)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291226208 1063472797 /nfs/dbraw/zinc/47/27/97/1063472797.db2.gz FAPGSXTWSFKVJQ-FUHIMQAGSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@H+]2CC)C1 ZINC001295502137 1063535827 /nfs/dbraw/zinc/53/58/27/1063535827.db2.gz ARWXZMPTBZREAE-LEWJYISDSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC001295503268 1063537962 /nfs/dbraw/zinc/53/79/62/1063537962.db2.gz KROJHAKPGDMHDV-FCHUYYIVSA-N 2 1 459.683 2.947 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001295511074 1063545821 /nfs/dbraw/zinc/54/58/21/1063545821.db2.gz ATIPVLAMVOCDEY-YADHBBJMSA-N 2 1 457.667 2.809 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001295523740 1063560562 /nfs/dbraw/zinc/56/05/62/1063560562.db2.gz YOHYKLUMDCFVJI-NHCUHLMSSA-N 2 1 459.683 2.689 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001295523738 1063560644 /nfs/dbraw/zinc/56/06/44/1063560644.db2.gz YOHYKLUMDCFVJI-LEWJYISDSA-N 2 1 459.683 2.689 20 0 JFADMP CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295541275 1063576091 /nfs/dbraw/zinc/57/60/91/1063576091.db2.gz IOUPRNOOXOWOQL-IRLDBZIGSA-N 2 1 461.699 2.587 20 0 JFADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[NH+]1CCCO[C@@H](C)C1 ZINC001291295126 1063693386 /nfs/dbraw/zinc/69/33/86/1063693386.db2.gz VDKQKFSFLGSILQ-RTWAWAEBSA-N 2 1 462.683 2.766 20 0 JFADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001291295126 1063693398 /nfs/dbraw/zinc/69/33/98/1063693398.db2.gz VDKQKFSFLGSILQ-RTWAWAEBSA-N 2 1 462.683 2.766 20 0 JFADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291295126 1063693405 /nfs/dbraw/zinc/69/34/05/1063693405.db2.gz VDKQKFSFLGSILQ-RTWAWAEBSA-N 2 1 462.683 2.766 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccnc2)nnc1N1CC[NH+](C2CCOCC2)CC1)CCC(F)(F)F ZINC001295838198 1063856695 /nfs/dbraw/zinc/85/66/95/1063856695.db2.gz HDAAYGALQLGXLS-UHFFFAOYSA-N 2 1 481.567 2.915 20 0 JFADMP CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295842664 1063862685 /nfs/dbraw/zinc/86/26/85/1063862685.db2.gz ZYAIEIVNASPRSZ-GOSISDBHSA-N 2 1 498.598 2.642 20 0 JFADMP CC[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295842664 1063862699 /nfs/dbraw/zinc/86/26/99/1063862699.db2.gz ZYAIEIVNASPRSZ-GOSISDBHSA-N 2 1 498.598 2.642 20 0 JFADMP CC[NH+](CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C)CCC(F)(F)F ZINC001295842664 1063862711 /nfs/dbraw/zinc/86/27/11/1063862711.db2.gz ZYAIEIVNASPRSZ-GOSISDBHSA-N 2 1 498.598 2.642 20 0 JFADMP CC[N@@H+](CCn1c(C2CC2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063863990 /nfs/dbraw/zinc/86/39/90/1063863990.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 2 1 468.572 2.876 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063864003 /nfs/dbraw/zinc/86/40/03/1063864003.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 2 1 468.572 2.876 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)CCC(F)(F)F ZINC001295844462 1063864014 /nfs/dbraw/zinc/86/40/14/1063864014.db2.gz CKUUYJSKWCDWPM-UHFFFAOYSA-N 2 1 468.572 2.876 20 0 JFADMP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864840 /nfs/dbraw/zinc/86/48/40/1063864840.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864858 /nfs/dbraw/zinc/86/48/58/1063864858.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 2 1 461.699 2.507 20 0 JFADMP CC[NH+](CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C(C)C ZINC001295844909 1063864878 /nfs/dbraw/zinc/86/48/78/1063864878.db2.gz GSXDVRDFBZYONP-QHCPKHFHSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295851674 1063876361 /nfs/dbraw/zinc/87/63/61/1063876361.db2.gz GSJBJYBYKIDAFW-QFIPXVFZSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295851674 1063876367 /nfs/dbraw/zinc/87/63/67/1063876367.db2.gz GSJBJYBYKIDAFW-QFIPXVFZSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295851674 1063876376 /nfs/dbraw/zinc/87/63/76/1063876376.db2.gz GSJBJYBYKIDAFW-QFIPXVFZSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@@H](C)C1)C(C)C ZINC001295856467 1063887107 /nfs/dbraw/zinc/88/71/07/1063887107.db2.gz MDRGRDIUUDPKQK-LEWJYISDSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC001295856467 1063887119 /nfs/dbraw/zinc/88/71/19/1063887119.db2.gz MDRGRDIUUDPKQK-LEWJYISDSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1)C(C)C ZINC001295856467 1063887133 /nfs/dbraw/zinc/88/71/33/1063887133.db2.gz MDRGRDIUUDPKQK-LEWJYISDSA-N 2 1 493.697 2.847 20 0 JFADMP CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295867284 1063901961 /nfs/dbraw/zinc/90/19/61/1063901961.db2.gz TVWXYZKQORVAGV-UHFFFAOYSA-N 2 1 499.752 2.865 20 0 JFADMP CC[N@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295867284 1063901976 /nfs/dbraw/zinc/90/19/76/1063901976.db2.gz TVWXYZKQORVAGV-UHFFFAOYSA-N 2 1 499.752 2.865 20 0 JFADMP CC[N@@H+](CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295867284 1063901993 /nfs/dbraw/zinc/90/19/93/1063901993.db2.gz TVWXYZKQORVAGV-UHFFFAOYSA-N 2 1 499.752 2.865 20 0 JFADMP CC[N@@H+](CCn1c(N2CC[NH+](C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868540 1063905056 /nfs/dbraw/zinc/90/50/56/1063905056.db2.gz PFYJBLPHAYFZEH-ATIYNZHBSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CCn1c(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868540 1063905066 /nfs/dbraw/zinc/90/50/66/1063905066.db2.gz PFYJBLPHAYFZEH-ATIYNZHBSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CCn1c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C ZINC001295868540 1063905075 /nfs/dbraw/zinc/90/50/75/1063905075.db2.gz PFYJBLPHAYFZEH-ATIYNZHBSA-N 2 1 492.709 2.739 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001295975244 1064018637 /nfs/dbraw/zinc/01/86/37/1064018637.db2.gz BHYDVERGVCEFJD-VQTJNVASSA-N 2 1 454.623 2.720 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291457787 1064024205 /nfs/dbraw/zinc/02/42/05/1064024205.db2.gz SWKQUXAJQBCIQQ-RJGXRXQPSA-N 2 1 498.720 2.922 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291457787 1064024213 /nfs/dbraw/zinc/02/42/13/1064024213.db2.gz SWKQUXAJQBCIQQ-RJGXRXQPSA-N 2 1 498.720 2.922 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC001295981034 1064031493 /nfs/dbraw/zinc/03/14/93/1064031493.db2.gz QNWXKOMCWFOFMW-XKRYSZRTSA-N 2 1 497.754 2.564 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291470653 1064031534 /nfs/dbraw/zinc/03/15/34/1064031534.db2.gz SZRUPOLDNIGSGJ-FUDKSRODSA-N 2 1 461.699 2.899 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001295981834 1064033644 /nfs/dbraw/zinc/03/36/44/1064033644.db2.gz BHEDQHXMGAZUQD-WOJBJXKFSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001295981831 1064033742 /nfs/dbraw/zinc/03/37/42/1064033742.db2.gz BHEDQHXMGAZUQD-VQTJNVASSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291476476 1064034782 /nfs/dbraw/zinc/03/47/82/1064034782.db2.gz RULJKHZPKNHPQL-XFGYDDDFSA-N 2 1 450.697 2.776 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001295998066 1064054773 /nfs/dbraw/zinc/05/47/73/1064054773.db2.gz SQJXVIAMZJREJX-FUPPJEDESA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001295998066 1064054783 /nfs/dbraw/zinc/05/47/83/1064054783.db2.gz SQJXVIAMZJREJX-FUPPJEDESA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001295998066 1064054792 /nfs/dbraw/zinc/05/47/92/1064054792.db2.gz SQJXVIAMZJREJX-FUPPJEDESA-N 2 1 461.699 2.712 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001291509552 1064060556 /nfs/dbraw/zinc/06/05/56/1064060556.db2.gz GFYBJUPXRZAHDJ-MYDTUXCISA-N 2 1 475.726 2.896 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296008823 1064062655 /nfs/dbraw/zinc/06/26/55/1064062655.db2.gz BPKRMYCXAWQLEG-ZCNNSNEGSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296008823 1064062662 /nfs/dbraw/zinc/06/26/62/1064062662.db2.gz BPKRMYCXAWQLEG-ZCNNSNEGSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296008823 1064062673 /nfs/dbraw/zinc/06/26/73/1064062673.db2.gz BPKRMYCXAWQLEG-ZCNNSNEGSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001296010431 1064068369 /nfs/dbraw/zinc/06/83/69/1064068369.db2.gz LDIKUNUOKFLBDO-KURKYZTESA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC001296010431 1064068379 /nfs/dbraw/zinc/06/83/79/1064068379.db2.gz LDIKUNUOKFLBDO-KURKYZTESA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC001296010431 1064068390 /nfs/dbraw/zinc/06/83/90/1064068390.db2.gz LDIKUNUOKFLBDO-KURKYZTESA-N 2 1 459.664 2.671 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@H]1C ZINC001296011352 1064070973 /nfs/dbraw/zinc/07/09/73/1064070973.db2.gz VEGDNXZMDUDKFP-DNQXCXABSA-N 2 1 483.705 2.987 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001296011471 1064071556 /nfs/dbraw/zinc/07/15/56/1064071556.db2.gz PNPQAZTWYBDXQL-YADHBBJMSA-N 2 1 486.709 2.948 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001296033719 1064092179 /nfs/dbraw/zinc/09/21/79/1064092179.db2.gz NUBVRHADRWUTGP-AZUAARDMSA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001296033719 1064092190 /nfs/dbraw/zinc/09/21/90/1064092190.db2.gz NUBVRHADRWUTGP-AZUAARDMSA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001296033719 1064092201 /nfs/dbraw/zinc/09/22/01/1064092201.db2.gz NUBVRHADRWUTGP-AZUAARDMSA-N 2 1 474.053 2.734 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001291579629 1064106256 /nfs/dbraw/zinc/10/62/56/1064106256.db2.gz KDTFUOILNHVPSE-AJSBUHFISA-N 2 1 485.652 2.976 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001296076224 1064144445 /nfs/dbraw/zinc/14/44/45/1064144445.db2.gz UGXPOLRYGPXQSU-QFIPXVFZSA-N 2 1 473.710 2.878 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296086881 1064154975 /nfs/dbraw/zinc/15/49/75/1064154975.db2.gz BQCKPICJKIUWKX-IRLDBZIGSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620520 1064159913 /nfs/dbraw/zinc/15/99/13/1064159913.db2.gz JWCKOQONOFTNBH-YCRNBWNJSA-N 2 1 450.697 2.918 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001296130961 1064224658 /nfs/dbraw/zinc/22/46/58/1064224658.db2.gz GXYQPKXXIQGINZ-LEWJYISDSA-N 2 1 457.642 2.564 20 0 JFADMP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296131448 1064225836 /nfs/dbraw/zinc/22/58/36/1064225836.db2.gz KRMYWMGGAUBYHP-QFIPXVFZSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296131448 1064225846 /nfs/dbraw/zinc/22/58/46/1064225846.db2.gz KRMYWMGGAUBYHP-QFIPXVFZSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296131448 1064225857 /nfs/dbraw/zinc/22/58/57/1064225857.db2.gz KRMYWMGGAUBYHP-QFIPXVFZSA-N 2 1 471.669 2.955 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136451 1064241768 /nfs/dbraw/zinc/24/17/68/1064241768.db2.gz IHGMGRBPTHPZEN-JTHBVZDNSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136451 1064241774 /nfs/dbraw/zinc/24/17/74/1064241774.db2.gz IHGMGRBPTHPZEN-JTHBVZDNSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1C ZINC001296136451 1064241778 /nfs/dbraw/zinc/24/17/78/1064241778.db2.gz IHGMGRBPTHPZEN-JTHBVZDNSA-N 2 1 467.662 2.511 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763376 1064244341 /nfs/dbraw/zinc/24/43/41/1064244341.db2.gz WHZMYIQVWFCFOU-ABSDTBQOSA-N 2 1 494.482 2.923 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763376 1064244347 /nfs/dbraw/zinc/24/43/47/1064244347.db2.gz WHZMYIQVWFCFOU-ABSDTBQOSA-N 2 1 494.482 2.923 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296138820 1064245013 /nfs/dbraw/zinc/24/50/13/1064245013.db2.gz XQZZAQKIKGZGQF-LEWJYISDSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138820 1064245020 /nfs/dbraw/zinc/24/50/20/1064245020.db2.gz XQZZAQKIKGZGQF-LEWJYISDSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138820 1064245026 /nfs/dbraw/zinc/24/50/26/1064245026.db2.gz XQZZAQKIKGZGQF-LEWJYISDSA-N 2 1 453.635 2.565 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296138821 1064245739 /nfs/dbraw/zinc/24/57/39/1064245739.db2.gz XQZZAQKIKGZGQF-NHCUHLMSSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138821 1064245746 /nfs/dbraw/zinc/24/57/46/1064245746.db2.gz XQZZAQKIKGZGQF-NHCUHLMSSA-N 2 1 453.635 2.565 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296138821 1064245752 /nfs/dbraw/zinc/24/57/52/1064245752.db2.gz XQZZAQKIKGZGQF-NHCUHLMSSA-N 2 1 453.635 2.565 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291766678 1064248178 /nfs/dbraw/zinc/24/81/78/1064248178.db2.gz DYLLLMPHPFGVFX-SFTDATJTSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296142653 1064250054 /nfs/dbraw/zinc/25/00/54/1064250054.db2.gz FDHFELQJJBRYEY-AABGKKOBSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296142653 1064250061 /nfs/dbraw/zinc/25/00/61/1064250061.db2.gz FDHFELQJJBRYEY-AABGKKOBSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296142653 1064250069 /nfs/dbraw/zinc/25/00/69/1064250069.db2.gz FDHFELQJJBRYEY-AABGKKOBSA-N 2 1 454.623 2.576 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771509 1064254312 /nfs/dbraw/zinc/25/43/12/1064254312.db2.gz GKNIIUQTJYMCLO-ILWGZMRPSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291771509 1064254318 /nfs/dbraw/zinc/25/43/18/1064254318.db2.gz GKNIIUQTJYMCLO-ILWGZMRPSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291771509 1064254322 /nfs/dbraw/zinc/25/43/22/1064254322.db2.gz GKNIIUQTJYMCLO-ILWGZMRPSA-N 2 1 453.635 2.670 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001296145468 1064255799 /nfs/dbraw/zinc/25/57/99/1064255799.db2.gz YZRZQQZQLJVOEG-RQTOMXEWSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001296145468 1064255809 /nfs/dbraw/zinc/25/58/09/1064255809.db2.gz YZRZQQZQLJVOEG-RQTOMXEWSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001296145468 1064255817 /nfs/dbraw/zinc/25/58/17/1064255817.db2.gz YZRZQQZQLJVOEG-RQTOMXEWSA-N 2 1 462.683 2.970 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1C ZINC001296145469 1064255888 /nfs/dbraw/zinc/25/58/88/1064255888.db2.gz YZRZQQZQLJVOEG-SLSDLSHTSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C ZINC001296145469 1064255892 /nfs/dbraw/zinc/25/58/92/1064255892.db2.gz YZRZQQZQLJVOEG-SLSDLSHTSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1C ZINC001296145469 1064255900 /nfs/dbraw/zinc/25/59/00/1064255900.db2.gz YZRZQQZQLJVOEG-SLSDLSHTSA-N 2 1 462.683 2.970 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC001296153693 1064263264 /nfs/dbraw/zinc/26/32/64/1064263264.db2.gz CWPRQRUPRKUBGM-OAQYLSRUSA-N 2 1 465.646 2.997 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162835 1064276732 /nfs/dbraw/zinc/27/67/32/1064276732.db2.gz PYOALTVJKCWYSO-HKBOAZHASA-N 2 1 455.651 2.682 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064276957 /nfs/dbraw/zinc/27/69/57/1064276957.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 2 1 455.651 2.682 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064276970 /nfs/dbraw/zinc/27/69/70/1064276970.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 2 1 455.651 2.682 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296162837 1064276978 /nfs/dbraw/zinc/27/69/78/1064276978.db2.gz PYOALTVJKCWYSO-PCCBWWKXSA-N 2 1 455.651 2.682 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291785918 1064282391 /nfs/dbraw/zinc/28/23/91/1064282391.db2.gz YNDYBGJROAREJC-OAQYLSRUSA-N 2 1 459.683 2.833 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1C ZINC001296166718 1064288494 /nfs/dbraw/zinc/28/84/94/1064288494.db2.gz OYZIHHZOXXBGFL-PMACEKPBSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001296173695 1064297883 /nfs/dbraw/zinc/29/78/83/1064297883.db2.gz KCVVBAZKZZAYOO-LDVJMBRRSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001296173695 1064297893 /nfs/dbraw/zinc/29/78/93/1064297893.db2.gz KCVVBAZKZZAYOO-LDVJMBRRSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001296173695 1064297902 /nfs/dbraw/zinc/29/79/02/1064297902.db2.gz KCVVBAZKZZAYOO-LDVJMBRRSA-N 2 1 462.683 2.901 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001296173697 1064297956 /nfs/dbraw/zinc/29/79/56/1064297956.db2.gz KCVVBAZKZZAYOO-MLCQCVOFSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173697 1064297966 /nfs/dbraw/zinc/29/79/66/1064297966.db2.gz KCVVBAZKZZAYOO-MLCQCVOFSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173697 1064297978 /nfs/dbraw/zinc/29/79/78/1064297978.db2.gz KCVVBAZKZZAYOO-MLCQCVOFSA-N 2 1 462.683 2.901 20 0 JFADMP CC[N@@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001296174119 1064300116 /nfs/dbraw/zinc/30/01/16/1064300116.db2.gz NUNUCBDKNSOSCN-YSIASYRMSA-N 2 1 472.638 2.784 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001296174119 1064300129 /nfs/dbraw/zinc/30/01/29/1064300129.db2.gz NUNUCBDKNSOSCN-YSIASYRMSA-N 2 1 472.638 2.784 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303518 /nfs/dbraw/zinc/30/35/18/1064303518.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303529 /nfs/dbraw/zinc/30/35/29/1064303529.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 2 1 486.661 2.753 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296175002 1064303547 /nfs/dbraw/zinc/30/35/47/1064303547.db2.gz URYXLUKGKVGWDR-YADHBBJMSA-N 2 1 486.661 2.753 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1)CCC(F)(F)F ZINC001296181314 1064315047 /nfs/dbraw/zinc/31/50/47/1064315047.db2.gz VPQGANCMQAXUEN-FQEVSTJZSA-N 2 1 494.610 2.831 20 0 JFADMP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296206439 1064395492 /nfs/dbraw/zinc/39/54/92/1064395492.db2.gz QXDYDXNJRGNALO-FGZHOGPDSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296206439 1064395501 /nfs/dbraw/zinc/39/55/01/1064395501.db2.gz QXDYDXNJRGNALO-FGZHOGPDSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296206439 1064395512 /nfs/dbraw/zinc/39/55/12/1064395512.db2.gz QXDYDXNJRGNALO-FGZHOGPDSA-N 2 1 499.704 2.909 20 0 JFADMP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296206438 1064395563 /nfs/dbraw/zinc/39/55/63/1064395563.db2.gz QXDYDXNJRGNALO-FCHUYYIVSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296206438 1064395569 /nfs/dbraw/zinc/39/55/69/1064395569.db2.gz QXDYDXNJRGNALO-FCHUYYIVSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296206438 1064395574 /nfs/dbraw/zinc/39/55/74/1064395574.db2.gz QXDYDXNJRGNALO-FCHUYYIVSA-N 2 1 499.704 2.909 20 0 JFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 ZINC001291920923 1064542005 /nfs/dbraw/zinc/54/20/05/1064542005.db2.gz UTNZYFPTHGGDOS-INIZCTEOSA-N 2 1 455.563 2.642 20 0 JFADMP CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1)[NH+](C)C ZINC001291954607 1064568509 /nfs/dbraw/zinc/56/85/09/1064568509.db2.gz VQTMLFJBPAXHEI-RTWAWAEBSA-N 2 1 468.650 2.966 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291975465 1064590257 /nfs/dbraw/zinc/59/02/57/1064590257.db2.gz UGYTXLQXYLUPIE-BVAGGSTKSA-N 2 1 486.709 2.807 20 0 JFADMP CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)[NH+](C)C ZINC001291975766 1064591350 /nfs/dbraw/zinc/59/13/50/1064591350.db2.gz YRIJVXGMKYMKDW-IEXUWNMDSA-N 2 1 473.710 2.586 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292019385 1064657736 /nfs/dbraw/zinc/65/77/36/1064657736.db2.gz FBMFXSIGZJSBPQ-IPMKNSEASA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@@H]1CCn2cc[nH+]c2C1 ZINC001292019385 1064657741 /nfs/dbraw/zinc/65/77/41/1064657741.db2.gz FBMFXSIGZJSBPQ-IPMKNSEASA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292124035 1064863980 /nfs/dbraw/zinc/86/39/80/1064863980.db2.gz DFMUNEHQJQKABT-UHFFFAOYSA-N 2 1 459.683 2.993 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292126678 1064876954 /nfs/dbraw/zinc/87/69/54/1064876954.db2.gz NJZHSAOVELMGHX-FYYLOGMGSA-N 2 1 489.709 2.618 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001292127290 1064881565 /nfs/dbraw/zinc/88/15/65/1064881565.db2.gz ZKYKZDRBWNZWQS-QFIPXVFZSA-N 2 1 489.709 2.620 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001292127290 1064881580 /nfs/dbraw/zinc/88/15/80/1064881580.db2.gz ZKYKZDRBWNZWQS-QFIPXVFZSA-N 2 1 489.709 2.620 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001292894373 1065595917 /nfs/dbraw/zinc/59/59/17/1065595917.db2.gz XGNUJDGLIJFDTG-PIATZUFCSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCC[NH+]1CCN(CC)CC1 ZINC001292961092 1065641031 /nfs/dbraw/zinc/64/10/31/1065641031.db2.gz SMKWOIFIIXCONN-ZRZAMGCNSA-N 2 1 475.726 2.584 20 0 JFADMP CCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001292961092 1065641042 /nfs/dbraw/zinc/64/10/42/1065641042.db2.gz SMKWOIFIIXCONN-ZRZAMGCNSA-N 2 1 475.726 2.584 20 0 JFADMP CCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CCCCN1CC[NH+](CC)CC1 ZINC001292961092 1065641050 /nfs/dbraw/zinc/64/10/50/1065641050.db2.gz SMKWOIFIIXCONN-ZRZAMGCNSA-N 2 1 475.726 2.584 20 0 JFADMP CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001292979824 1065662076 /nfs/dbraw/zinc/66/20/76/1065662076.db2.gz XUJQQXOUDPAJEB-VWLOTQADSA-N 2 1 489.753 2.972 20 0 JFADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)cc1 ZINC001293203495 1065831078 /nfs/dbraw/zinc/83/10/78/1065831078.db2.gz JOXSACLUFNZHJM-AHKZPQOWSA-N 2 1 451.611 2.824 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001293361396 1065965405 /nfs/dbraw/zinc/96/54/05/1065965405.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001293361396 1065965417 /nfs/dbraw/zinc/96/54/17/1065965417.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001293361396 1065965424 /nfs/dbraw/zinc/96/54/24/1065965424.db2.gz AGIGBFAVMXKWRB-DNQXCXABSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371478 1065974407 /nfs/dbraw/zinc/97/44/07/1065974407.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001293371478 1065974420 /nfs/dbraw/zinc/97/44/20/1065974420.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001293371478 1065974434 /nfs/dbraw/zinc/97/44/34/1065974434.db2.gz MKGJRKHCJQAASZ-NHCUHLMSSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001293374512 1065980368 /nfs/dbraw/zinc/98/03/68/1065980368.db2.gz VSFLUWHHCXMQMX-FDFHNCONSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293553600 1066068396 /nfs/dbraw/zinc/06/83/96/1066068396.db2.gz QWYFXHNLWALGLF-GCJKJVERSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CC[N@@H+](C)CCOC)C[C@@H]1[NH+]1CCOCC1 ZINC001293553600 1066068406 /nfs/dbraw/zinc/06/84/06/1066068406.db2.gz QWYFXHNLWALGLF-GCJKJVERSA-N 2 1 495.043 2.863 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](C(C)C)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293580683 1066090272 /nfs/dbraw/zinc/09/02/72/1066090272.db2.gz ZDGZUKLVLXJBRW-JTHBVZDNSA-N 2 1 470.666 2.791 20 0 JFADMP CC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@H+]1CCOC ZINC001293587780 1066095851 /nfs/dbraw/zinc/09/58/51/1066095851.db2.gz QSRGUGLFXUIPPQ-GMAHTHKFSA-N 2 1 492.709 2.956 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001293592701 1066098410 /nfs/dbraw/zinc/09/84/10/1066098410.db2.gz CVWYRDJZDHJFHG-MDNUFGMLSA-N 2 1 474.625 2.771 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1CCOC ZINC001293593697 1066099524 /nfs/dbraw/zinc/09/95/24/1066099524.db2.gz FTCWAZAZUQNLRB-YTFSRNRJSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1CCOC ZINC001293593697 1066099533 /nfs/dbraw/zinc/09/95/33/1066099533.db2.gz FTCWAZAZUQNLRB-YTFSRNRJSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1CCOC ZINC001293593697 1066099541 /nfs/dbraw/zinc/09/95/41/1066099541.db2.gz FTCWAZAZUQNLRB-YTFSRNRJSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCCC[C@H]2C)CC[N@H+]1CCOC ZINC001293593694 1066099713 /nfs/dbraw/zinc/09/97/13/1066099713.db2.gz FTCWAZAZUQNLRB-DNVJHFABSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1CCOC ZINC001293593694 1066099723 /nfs/dbraw/zinc/09/97/23/1066099723.db2.gz FTCWAZAZUQNLRB-DNVJHFABSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CC[NH+]1CCOC ZINC001293593694 1066099734 /nfs/dbraw/zinc/09/97/34/1066099734.db2.gz FTCWAZAZUQNLRB-DNVJHFABSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293603098 1066119452 /nfs/dbraw/zinc/11/94/52/1066119452.db2.gz SYTHXBLARHDXDZ-GPJHCHHRSA-N 2 1 476.710 2.913 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001293623818 1066139420 /nfs/dbraw/zinc/13/94/20/1066139420.db2.gz UIFKORRBQWOGTG-HSZRJFAPSA-N 2 1 469.678 2.933 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001293623818 1066139428 /nfs/dbraw/zinc/13/94/28/1066139428.db2.gz UIFKORRBQWOGTG-HSZRJFAPSA-N 2 1 469.678 2.933 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001293623818 1066139437 /nfs/dbraw/zinc/13/94/37/1066139437.db2.gz UIFKORRBQWOGTG-HSZRJFAPSA-N 2 1 469.678 2.933 20 0 JFADMP CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293627913 1066142055 /nfs/dbraw/zinc/14/20/55/1066142055.db2.gz PMTJWJOBYJRCKG-FJIJXJHWSA-N 2 1 470.662 2.569 20 0 JFADMP CC[C@@H]1CN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293627911 1066142062 /nfs/dbraw/zinc/14/20/62/1066142062.db2.gz PMTJWJOBYJRCKG-BGWNEDDSSA-N 2 1 470.662 2.569 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293633191 1066148153 /nfs/dbraw/zinc/14/81/53/1066148153.db2.gz YUNNVWZXYLSRKQ-TZRRMPRUSA-N 2 1 486.709 2.663 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001294077436 1066546368 /nfs/dbraw/zinc/54/63/68/1066546368.db2.gz PFIBYCQWSTWTMS-AUSIDOKSSA-N 2 1 461.680 2.648 20 0 JFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCCO[C@@]5(C[NH2+]CCOC5)C3)n2)CCC4)CC1 ZINC001164426175 718916413 /nfs/dbraw/zinc/91/64/13/718916413.db2.gz XTKHUNPUMFIKIT-VWLOTQADSA-N 2 1 471.671 2.997 20 0 JFADMP C(c1nc2sc3c(c2c(N2CCCO[C@]4(C[NH2+]CCOC4)C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164422837 718916473 /nfs/dbraw/zinc/91/64/73/718916473.db2.gz BPGUYJAXQVABEP-XMMPIXPASA-N 2 1 457.644 2.751 20 0 JFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613955 719017475 /nfs/dbraw/zinc/01/74/75/719017475.db2.gz ARGVEQGFNCULOT-BPQIPLTHSA-N 2 1 455.628 2.896 20 0 JFADMP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4ncccc4C[NH+]4CCCC4)C3)C2)cc[nH+]1 ZINC001164664554 719357487 /nfs/dbraw/zinc/35/74/87/719357487.db2.gz OFFOUSNVUVDAJB-VWLOTQADSA-N 2 1 451.619 2.657 20 0 JFADMP C[N@H+]1CCO[C@@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164667820 719426934 /nfs/dbraw/zinc/42/69/34/719426934.db2.gz HIXZVKOQBKGMHB-WOJBJXKFSA-N 2 1 468.985 2.916 20 0 JFADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)c2c1CC[NH2+]C2 ZINC001164685102 719622991 /nfs/dbraw/zinc/62/29/91/719622991.db2.gz ZWUMUVOLMRXDJX-UHFFFAOYSA-N 2 1 464.618 2.920 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)c2c1CC[NH2+]C2 ZINC001164685102 719622992 /nfs/dbraw/zinc/62/29/92/719622992.db2.gz ZWUMUVOLMRXDJX-UHFFFAOYSA-N 2 1 464.618 2.920 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164681578 719672120 /nfs/dbraw/zinc/67/21/20/719672120.db2.gz NCRWLRHKAQJUPR-GOSISDBHSA-N 2 1 490.608 2.838 20 0 JFADMP Cn1nnc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718787 720186039 /nfs/dbraw/zinc/18/60/39/720186039.db2.gz REXAUSIEJLSXLG-HXUWFJFHSA-N 2 1 460.026 2.676 20 0 JFADMP COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]2C1 ZINC001164857737 720892413 /nfs/dbraw/zinc/89/24/13/720892413.db2.gz JLIMTEIJESHXRZ-FXAWDEMLSA-N 2 1 456.965 2.830 20 0 JFADMP COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4=CC[NH2+]CC4)c3)CC[C@H]2C1 ZINC001164857740 720892421 /nfs/dbraw/zinc/89/24/21/720892421.db2.gz JLIMTEIJESHXRZ-PXNSSMCTSA-N 2 1 456.965 2.830 20 0 JFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164753782 720963670 /nfs/dbraw/zinc/96/36/70/720963670.db2.gz KHHPKAXNEGDJQJ-UHFFFAOYSA-N 2 1 485.658 2.992 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866395 721078822 /nfs/dbraw/zinc/07/88/22/721078822.db2.gz TURZOYZDAPKFMB-DNQXCXABSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866395 721078826 /nfs/dbraw/zinc/07/88/26/721078826.db2.gz TURZOYZDAPKFMB-DNQXCXABSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866395 721078831 /nfs/dbraw/zinc/07/88/31/721078831.db2.gz TURZOYZDAPKFMB-DNQXCXABSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)C2)cc1 ZINC001164866395 721078838 /nfs/dbraw/zinc/07/88/38/721078838.db2.gz TURZOYZDAPKFMB-DNQXCXABSA-N 2 1 456.594 2.910 20 0 JFADMP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4c(n2)CC[N@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164794847 721511396 /nfs/dbraw/zinc/51/13/96/721511396.db2.gz XEHFNKYUOOOHTN-UHFFFAOYSA-N 2 1 457.626 2.604 20 0 JFADMP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913846 721732902 /nfs/dbraw/zinc/73/29/02/721732902.db2.gz YXZDJJIFJZGPAP-HSZRJFAPSA-N 2 1 458.557 2.988 20 0 JFADMP C[NH+](C)CCOc1ccc(CCC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC001265793658 1059927038 /nfs/dbraw/zinc/92/70/38/1059927038.db2.gz VURWJNCAPVSZDF-UHFFFAOYSA-N 2 1 452.599 2.515 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286869915 1061263873 /nfs/dbraw/zinc/26/38/73/1061263873.db2.gz GQKXPWKBXIUUTK-FUPPJEDESA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286869915 1061263895 /nfs/dbraw/zinc/26/38/95/1061263895.db2.gz GQKXPWKBXIUUTK-FUPPJEDESA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001286869915 1061263919 /nfs/dbraw/zinc/26/39/19/1061263919.db2.gz GQKXPWKBXIUUTK-FUPPJEDESA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871487 1061272976 /nfs/dbraw/zinc/27/29/76/1061272976.db2.gz OWEGEUNXBXUNJX-IRLDBZIGSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871487 1061273005 /nfs/dbraw/zinc/27/30/05/1061273005.db2.gz OWEGEUNXBXUNJX-IRLDBZIGSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@H]2C)CC1 ZINC001286871487 1061273024 /nfs/dbraw/zinc/27/30/24/1061273024.db2.gz OWEGEUNXBXUNJX-IRLDBZIGSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C3CCCCC3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886598 1061329898 /nfs/dbraw/zinc/32/98/98/1061329898.db2.gz GBYSLMGQRILRHK-AGILITTLSA-N 2 1 473.710 2.901 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886703 1061331179 /nfs/dbraw/zinc/33/11/79/1061331179.db2.gz HRVPQSJDUDYGBO-JCYRPKCISA-N 2 1 495.716 2.986 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886703 1061331200 /nfs/dbraw/zinc/33/12/00/1061331200.db2.gz HRVPQSJDUDYGBO-JCYRPKCISA-N 2 1 495.716 2.986 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[N@@H+](C)C(C)C)CC3)n2CC[NH+]2CCOC[C@H]2C)n1 ZINC001289950546 1061644959 /nfs/dbraw/zinc/64/49/59/1061644959.db2.gz HLZTTWUVFOUOLX-OAQYLSRUSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCOC[C@H]2C)n1 ZINC001289950546 1061644965 /nfs/dbraw/zinc/64/49/65/1061644965.db2.gz HLZTTWUVFOUOLX-OAQYLSRUSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@@H+]2CCOC[C@H]2C)n1 ZINC001289950546 1061644968 /nfs/dbraw/zinc/64/49/68/1061644968.db2.gz HLZTTWUVFOUOLX-OAQYLSRUSA-N 2 1 455.651 2.926 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2CC[N@H+]2CCOC[C@H]2C)n1 ZINC001289950546 1061644974 /nfs/dbraw/zinc/64/49/74/1061644974.db2.gz HLZTTWUVFOUOLX-OAQYLSRUSA-N 2 1 455.651 2.926 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001294215086 1061723743 /nfs/dbraw/zinc/72/37/43/1061723743.db2.gz PXKCQPIGGCJKBY-IBGZPJMESA-N 2 1 490.722 2.809 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294215086 1061723762 /nfs/dbraw/zinc/72/37/62/1061723762.db2.gz PXKCQPIGGCJKBY-IBGZPJMESA-N 2 1 490.722 2.809 20 0 JFADMP CCCC[NH+](C)CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294215086 1061723787 /nfs/dbraw/zinc/72/37/87/1061723787.db2.gz PXKCQPIGGCJKBY-IBGZPJMESA-N 2 1 490.722 2.809 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001294225790 1061738370 /nfs/dbraw/zinc/73/83/70/1061738370.db2.gz IBYGJFYYXAJATN-QHCPKHFHSA-N 2 1 475.726 2.899 20 0 JFADMP CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294306113 1061793654 /nfs/dbraw/zinc/79/36/54/1061793654.db2.gz GIGPGLJLKTUXGI-JOCHJYFZSA-N 2 1 489.709 2.716 20 0 JFADMP CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294306113 1061793671 /nfs/dbraw/zinc/79/36/71/1061793671.db2.gz GIGPGLJLKTUXGI-JOCHJYFZSA-N 2 1 489.709 2.716 20 0 JFADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001294306113 1061793692 /nfs/dbraw/zinc/79/36/92/1061793692.db2.gz GIGPGLJLKTUXGI-JOCHJYFZSA-N 2 1 489.709 2.716 20 0 JFADMP CCCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001294306113 1061793709 /nfs/dbraw/zinc/79/37/09/1061793709.db2.gz GIGPGLJLKTUXGI-JOCHJYFZSA-N 2 1 489.709 2.716 20 0 JFADMP CC(C)(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001287006138 1061925663 /nfs/dbraw/zinc/92/56/63/1061925663.db2.gz AGWMPUDBRKBAQF-UHFFFAOYSA-N 2 1 473.710 2.976 20 0 JFADMP CC(C)(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCCCC[NH+]1CCCC1 ZINC001287006138 1061925690 /nfs/dbraw/zinc/92/56/90/1061925690.db2.gz AGWMPUDBRKBAQF-UHFFFAOYSA-N 2 1 473.710 2.976 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCC(C)(C)C2)C1 ZINC001294453820 1061999487 /nfs/dbraw/zinc/99/94/87/1061999487.db2.gz HVYNDJDRBUNZSI-OAQYLSRUSA-N 2 1 459.683 2.804 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001294453820 1061999496 /nfs/dbraw/zinc/99/94/96/1061999496.db2.gz HVYNDJDRBUNZSI-OAQYLSRUSA-N 2 1 459.683 2.804 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001294453820 1061999514 /nfs/dbraw/zinc/99/95/14/1061999514.db2.gz HVYNDJDRBUNZSI-OAQYLSRUSA-N 2 1 459.683 2.804 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001294455289 1062001909 /nfs/dbraw/zinc/00/19/09/1062001909.db2.gz WDGDONYRGPETIQ-FQEVSTJZSA-N 2 1 454.623 2.579 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)C1 ZINC001294455290 1062002001 /nfs/dbraw/zinc/00/20/01/1062002001.db2.gz WDGDONYRGPETIQ-HXUWFJFHSA-N 2 1 454.623 2.579 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C1 ZINC001294456766 1062004124 /nfs/dbraw/zinc/00/41/24/1062004124.db2.gz JROBJMCMBGUZDU-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C1 ZINC001294456766 1062004146 /nfs/dbraw/zinc/00/41/46/1062004146.db2.gz JROBJMCMBGUZDU-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001294456766 1062004170 /nfs/dbraw/zinc/00/41/70/1062004170.db2.gz JROBJMCMBGUZDU-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001294456766 1062004195 /nfs/dbraw/zinc/00/41/95/1062004195.db2.gz JROBJMCMBGUZDU-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001294506157 1062043348 /nfs/dbraw/zinc/04/33/48/1062043348.db2.gz QZAIEPWWETZBSV-FQEVSTJZSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001294506157 1062043370 /nfs/dbraw/zinc/04/33/70/1062043370.db2.gz QZAIEPWWETZBSV-FQEVSTJZSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001294506157 1062043392 /nfs/dbraw/zinc/04/33/92/1062043392.db2.gz QZAIEPWWETZBSV-FQEVSTJZSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001294506157 1062043410 /nfs/dbraw/zinc/04/34/10/1062043410.db2.gz QZAIEPWWETZBSV-FQEVSTJZSA-N 2 1 477.451 2.960 20 0 JFADMP CCC[N@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001294526619 1062063455 /nfs/dbraw/zinc/06/34/55/1062063455.db2.gz HOYFELFIPDEKRS-HSZRJFAPSA-N 2 1 461.680 2.667 20 0 JFADMP CCC[N@@H+](CC)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001294526619 1062063480 /nfs/dbraw/zinc/06/34/80/1062063480.db2.gz HOYFELFIPDEKRS-HSZRJFAPSA-N 2 1 461.680 2.667 20 0 JFADMP CCC[N@@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC001294527089 1062064016 /nfs/dbraw/zinc/06/40/16/1062064016.db2.gz LUOFYSKWEUVNRR-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001294527089 1062064037 /nfs/dbraw/zinc/06/40/37/1062064037.db2.gz LUOFYSKWEUVNRR-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001294527089 1062064060 /nfs/dbraw/zinc/06/40/60/1062064060.db2.gz LUOFYSKWEUVNRR-RBUKOAKNSA-N 2 1 459.664 2.674 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417859 1062148489 /nfs/dbraw/zinc/14/84/89/1062148489.db2.gz PULMSYNOMWFXTK-UNMCSNQZSA-N 2 1 475.707 2.769 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C)o3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001294646356 1062175229 /nfs/dbraw/zinc/17/52/29/1062175229.db2.gz KFEWTSLHGFCSGE-OAQYLSRUSA-N 2 1 471.650 2.569 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(C(=O)N3CCCC3)n2CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001294675146 1062235759 /nfs/dbraw/zinc/23/57/59/1062235759.db2.gz RZOIEGGDUUELBD-UHFFFAOYSA-N 2 1 467.662 2.957 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC001294693221 1062253136 /nfs/dbraw/zinc/25/31/36/1062253136.db2.gz OGRZNDQYFPKVFB-FYYLOGMGSA-N 2 1 461.699 2.714 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001294708355 1062274437 /nfs/dbraw/zinc/27/44/37/1062274437.db2.gz IMQYIGRNEOAHKN-FYYLOGMGSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001294708355 1062274448 /nfs/dbraw/zinc/27/44/48/1062274448.db2.gz IMQYIGRNEOAHKN-FYYLOGMGSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001294708355 1062274469 /nfs/dbraw/zinc/27/44/69/1062274469.db2.gz IMQYIGRNEOAHKN-FYYLOGMGSA-N 2 1 455.651 2.685 20 0 JFADMP Cc1[nH+]ccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001290508924 1062307615 /nfs/dbraw/zinc/30/76/15/1062307615.db2.gz XEDAQCFTNBGZRI-UHFFFAOYSA-N 2 1 456.639 2.696 20 0 JFADMP Cc1[nH+]ccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290508924 1062307640 /nfs/dbraw/zinc/30/76/40/1062307640.db2.gz XEDAQCFTNBGZRI-UHFFFAOYSA-N 2 1 456.639 2.696 20 0 JFADMP Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001290530123 1062331691 /nfs/dbraw/zinc/33/16/91/1062331691.db2.gz YQHXPTIPTTWDRE-UHFFFAOYSA-N 2 1 470.647 2.785 20 0 JFADMP Cc1[nH+]ccn1CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001290530123 1062331716 /nfs/dbraw/zinc/33/17/16/1062331716.db2.gz YQHXPTIPTTWDRE-UHFFFAOYSA-N 2 1 470.647 2.785 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605648 1062441868 /nfs/dbraw/zinc/44/18/68/1062441868.db2.gz LELOMSLYRWFFHO-HSZRJFAPSA-N 2 1 486.709 2.807 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605648 1062441877 /nfs/dbraw/zinc/44/18/77/1062441877.db2.gz LELOMSLYRWFFHO-HSZRJFAPSA-N 2 1 486.709 2.807 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCc4cccs4)CC3)n2CC[N@H+](C)C(C)C)n1 ZINC001290646506 1062537538 /nfs/dbraw/zinc/53/75/38/1062537538.db2.gz ICUWWWLSHCPZQP-UHFFFAOYSA-N 2 1 470.691 2.906 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[N@@H+]2CCCC(C)(C)C2)n1 ZINC001290648835 1062545506 /nfs/dbraw/zinc/54/55/06/1062545506.db2.gz WZASGDCZRBEHRU-UHFFFAOYSA-N 2 1 486.709 2.809 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2CC[N@H+]2CCCC(C)(C)C2)n1 ZINC001290648835 1062545524 /nfs/dbraw/zinc/54/55/24/1062545524.db2.gz WZASGDCZRBEHRU-UHFFFAOYSA-N 2 1 486.709 2.809 20 0 JFADMP Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1Cc1ccccc1OCC[NH+](C)C ZINC001290736965 1062659096 /nfs/dbraw/zinc/65/90/96/1062659096.db2.gz AIEHRGMTWVLIAP-WIOPSUGQSA-N 2 1 480.661 2.828 20 0 JFADMP Cc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001290872345 1062758210 /nfs/dbraw/zinc/75/82/10/1062758210.db2.gz ZFNXRXPBJRCKIS-JTHBVZDNSA-N 2 1 470.643 2.513 20 0 JFADMP CC(C)Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CC[NH+]1CC=CCC1 ZINC001287379656 1062834739 /nfs/dbraw/zinc/83/47/39/1062834739.db2.gz RJXAOAHEUVQAMG-XUZZJYLKSA-N 2 1 454.667 2.991 20 0 JFADMP CC(C)Cc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CC[N@H+]1CC=CCC1 ZINC001287379656 1062834760 /nfs/dbraw/zinc/83/47/60/1062834760.db2.gz RJXAOAHEUVQAMG-XUZZJYLKSA-N 2 1 454.667 2.991 20 0 JFADMP CC(C)Cc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CC[N@@H+]1CC=CCC1 ZINC001287379656 1062834785 /nfs/dbraw/zinc/83/47/85/1062834785.db2.gz RJXAOAHEUVQAMG-XUZZJYLKSA-N 2 1 454.667 2.991 20 0 JFADMP CC(C)Cc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+](C)C1CCCCC1 ZINC001287456983 1062895037 /nfs/dbraw/zinc/89/50/37/1062895037.db2.gz UNXMBYBXLXUGMG-UHFFFAOYSA-N 2 1 473.710 2.876 20 0 JFADMP CC(C)Cc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001287456983 1062895068 /nfs/dbraw/zinc/89/50/68/1062895068.db2.gz UNXMBYBXLXUGMG-UHFFFAOYSA-N 2 1 473.710 2.876 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001287456983 1062895109 /nfs/dbraw/zinc/89/51/09/1062895109.db2.gz UNXMBYBXLXUGMG-UHFFFAOYSA-N 2 1 473.710 2.876 20 0 JFADMP CC(C)Cc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+](C)C1CCCCC1 ZINC001287456983 1062895130 /nfs/dbraw/zinc/89/51/30/1062895130.db2.gz UNXMBYBXLXUGMG-UHFFFAOYSA-N 2 1 473.710 2.876 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012418 1062916070 /nfs/dbraw/zinc/91/60/70/1062916070.db2.gz ZCPLWIFALSSFML-XPWALMASSA-N 2 1 494.750 2.859 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012418 1062916098 /nfs/dbraw/zinc/91/60/98/1062916098.db2.gz ZCPLWIFALSSFML-XPWALMASSA-N 2 1 494.750 2.859 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012418 1062916129 /nfs/dbraw/zinc/91/61/29/1062916129.db2.gz ZCPLWIFALSSFML-XPWALMASSA-N 2 1 494.750 2.859 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001295127986 1062947784 /nfs/dbraw/zinc/94/77/84/1062947784.db2.gz YDODXOIJFHSQHV-QHCPKHFHSA-N 2 1 467.662 2.981 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC001295145457 1062965771 /nfs/dbraw/zinc/96/57/71/1062965771.db2.gz DHUVGZGIUBCHLP-YTFNCPKPSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)cc2)C[C@@H](C)O1 ZINC001295145457 1062965796 /nfs/dbraw/zinc/96/57/96/1062965796.db2.gz DHUVGZGIUBCHLP-YTFNCPKPSA-N 2 1 451.611 2.909 20 0 JFADMP CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101550 1063073272 /nfs/dbraw/zinc/07/32/72/1063073272.db2.gz WORMFALZORLPRM-JOCHJYFZSA-N 2 1 489.709 2.572 20 0 JFADMP CC(C)OCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291101550 1063073295 /nfs/dbraw/zinc/07/32/95/1063073295.db2.gz WORMFALZORLPRM-JOCHJYFZSA-N 2 1 489.709 2.572 20 0 JFADMP C[C@H]1CCC[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102267 1063077097 /nfs/dbraw/zinc/07/70/97/1063077097.db2.gz JYIVCZLBXFJBKR-SFTDATJTSA-N 2 1 489.709 2.534 20 0 JFADMP C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291102267 1063077122 /nfs/dbraw/zinc/07/71/22/1063077122.db2.gz JYIVCZLBXFJBKR-SFTDATJTSA-N 2 1 489.709 2.534 20 0 JFADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291105356 1063086369 /nfs/dbraw/zinc/08/63/69/1063086369.db2.gz IBEJNAOROMYOJE-LEWJYISDSA-N 2 1 472.682 2.594 20 0 JFADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105356 1063086392 /nfs/dbraw/zinc/08/63/92/1063086392.db2.gz IBEJNAOROMYOJE-LEWJYISDSA-N 2 1 472.682 2.594 20 0 JFADMP C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC001291105359 1063087322 /nfs/dbraw/zinc/08/73/22/1063087322.db2.gz IBEJNAOROMYOJE-SFTDATJTSA-N 2 1 472.682 2.594 20 0 JFADMP C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@H](C)C1 ZINC001291105359 1063087342 /nfs/dbraw/zinc/08/73/42/1063087342.db2.gz IBEJNAOROMYOJE-SFTDATJTSA-N 2 1 472.682 2.594 20 0 JFADMP CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140839 1063211556 /nfs/dbraw/zinc/21/15/56/1063211556.db2.gz FMQZRKGIRBGJNF-QFIPXVFZSA-N 2 1 459.683 2.656 20 0 JFADMP CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001291140839 1063211579 /nfs/dbraw/zinc/21/15/79/1063211579.db2.gz FMQZRKGIRBGJNF-QFIPXVFZSA-N 2 1 459.683 2.656 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CC=CCC2)CC1 ZINC001295326813 1063217417 /nfs/dbraw/zinc/21/74/17/1063217417.db2.gz CBRCCGHRVZCDOG-UHFFFAOYSA-N 2 1 495.672 2.596 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3OC)n2CC[NH+]2CC=CCC2)CC1 ZINC001295326813 1063217429 /nfs/dbraw/zinc/21/74/29/1063217429.db2.gz CBRCCGHRVZCDOG-UHFFFAOYSA-N 2 1 495.672 2.596 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CC=CCC2)CC1 ZINC001295326813 1063217454 /nfs/dbraw/zinc/21/74/54/1063217454.db2.gz CBRCCGHRVZCDOG-UHFFFAOYSA-N 2 1 495.672 2.596 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295326813 1063217479 /nfs/dbraw/zinc/21/74/79/1063217479.db2.gz CBRCCGHRVZCDOG-UHFFFAOYSA-N 2 1 495.672 2.596 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001295327285 1063222059 /nfs/dbraw/zinc/22/20/59/1063222059.db2.gz QKBXJDZGJNYYQC-UHFFFAOYSA-N 2 1 496.704 2.843 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001295327285 1063222077 /nfs/dbraw/zinc/22/20/77/1063222077.db2.gz QKBXJDZGJNYYQC-UHFFFAOYSA-N 2 1 496.704 2.843 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001295327522 1063223719 /nfs/dbraw/zinc/22/37/19/1063223719.db2.gz WEKOJQOJFTWUEW-HXUWFJFHSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001295327522 1063223741 /nfs/dbraw/zinc/22/37/41/1063223741.db2.gz WEKOJQOJFTWUEW-HXUWFJFHSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295327522 1063223763 /nfs/dbraw/zinc/22/37/63/1063223763.db2.gz WEKOJQOJFTWUEW-HXUWFJFHSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295327522 1063223785 /nfs/dbraw/zinc/22/37/85/1063223785.db2.gz WEKOJQOJFTWUEW-HXUWFJFHSA-N 2 1 471.650 2.711 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2CC[NH+]2CCc3ccccc3C2)CC1 ZINC001295329331 1063228766 /nfs/dbraw/zinc/22/87/66/1063228766.db2.gz SPSJMGQJUQPACH-UHFFFAOYSA-N 2 1 481.689 2.840 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2CC[NH+]2CCc3ccccc3C2)CC1 ZINC001295329331 1063228787 /nfs/dbraw/zinc/22/87/87/1063228787.db2.gz SPSJMGQJUQPACH-UHFFFAOYSA-N 2 1 481.689 2.840 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)C)n2CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC001295329331 1063228803 /nfs/dbraw/zinc/22/88/03/1063228803.db2.gz SPSJMGQJUQPACH-UHFFFAOYSA-N 2 1 481.689 2.840 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)C)n2CC[N@H+]2CCc3ccccc3C2)CC1 ZINC001295329331 1063228822 /nfs/dbraw/zinc/22/88/22/1063228822.db2.gz SPSJMGQJUQPACH-UHFFFAOYSA-N 2 1 481.689 2.840 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[NH+]2CC)CC1 ZINC001295334856 1063244176 /nfs/dbraw/zinc/24/41/76/1063244176.db2.gz UWGGCZXGKIQZMV-DEOSSOPVSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[NH+]2CC)CC1 ZINC001295334856 1063244193 /nfs/dbraw/zinc/24/41/93/1063244193.db2.gz UWGGCZXGKIQZMV-DEOSSOPVSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001295334856 1063244211 /nfs/dbraw/zinc/24/42/11/1063244211.db2.gz UWGGCZXGKIQZMV-DEOSSOPVSA-N 2 1 499.679 2.873 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001295334856 1063244227 /nfs/dbraw/zinc/24/42/27/1063244227.db2.gz UWGGCZXGKIQZMV-DEOSSOPVSA-N 2 1 499.679 2.873 20 0 JFADMP CC1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291180425 1063272296 /nfs/dbraw/zinc/27/22/96/1063272296.db2.gz BTJMRZOGIRXTFJ-SZPZYZBQSA-N 2 1 470.666 2.793 20 0 JFADMP CC1CC[NH+](CCCCn2c(-c3cnccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291180425 1063272317 /nfs/dbraw/zinc/27/23/17/1063272317.db2.gz BTJMRZOGIRXTFJ-SZPZYZBQSA-N 2 1 470.666 2.793 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295360539 1063321119 /nfs/dbraw/zinc/32/11/19/1063321119.db2.gz FHFUGLDCEPWEFM-XLIONFOSSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295360539 1063321140 /nfs/dbraw/zinc/32/11/40/1063321140.db2.gz FHFUGLDCEPWEFM-XLIONFOSSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295363460 1063324396 /nfs/dbraw/zinc/32/43/96/1063324396.db2.gz AMSRTCPNBNCOMA-LEWJYISDSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295364082 1063325384 /nfs/dbraw/zinc/32/53/84/1063325384.db2.gz DRXLYYIMTVFAKT-RTWAWAEBSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001295364737 1063326608 /nfs/dbraw/zinc/32/66/08/1063326608.db2.gz HHLQMJIUZHSXLE-PMACEKPBSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295366162 1063329390 /nfs/dbraw/zinc/32/93/90/1063329390.db2.gz NFSMQCUMCIHMTN-RBUKOAKNSA-N 2 1 462.664 2.609 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295383315 1063355980 /nfs/dbraw/zinc/35/59/80/1063355980.db2.gz AQKVDWSDZDZVFX-PPJWLVRDSA-N 2 1 495.716 2.782 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295383311 1063356042 /nfs/dbraw/zinc/35/60/42/1063356042.db2.gz AQKVDWSDZDZVFX-JQYIIUTOSA-N 2 1 495.716 2.782 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001295390989 1063372931 /nfs/dbraw/zinc/37/29/31/1063372931.db2.gz CQUXGYINIMUNPN-JTHBVZDNSA-N 2 1 461.699 2.855 20 0 JFADMP C[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291217039 1063436735 /nfs/dbraw/zinc/43/67/35/1063436735.db2.gz VCOVWPBYTDZPMI-MBOZVWFJSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295472207 1063477716 /nfs/dbraw/zinc/47/77/16/1063477716.db2.gz JBKNSMKMTIQBOR-SFTDATJTSA-N 2 1 480.723 2.611 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001295474884 1063483938 /nfs/dbraw/zinc/48/39/38/1063483938.db2.gz ITBCYTPGCLQBJO-UHFFFAOYSA-N 2 1 471.675 2.842 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295490624 1063517311 /nfs/dbraw/zinc/51/73/11/1063517311.db2.gz BKBOTNJZVUCOPO-QFIPXVFZSA-N 2 1 487.718 2.795 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001295502140 1063535915 /nfs/dbraw/zinc/53/59/15/1063535915.db2.gz ARWXZMPTBZREAE-SFTDATJTSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295502330 1063536449 /nfs/dbraw/zinc/53/64/49/1063536449.db2.gz CVPLHUYUJRRICF-NRFANRHFSA-N 2 1 467.662 2.821 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001295509348 1063544696 /nfs/dbraw/zinc/54/46/96/1063544696.db2.gz VFZBJBHJTLGSET-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001295509348 1063544718 /nfs/dbraw/zinc/54/47/18/1063544718.db2.gz VFZBJBHJTLGSET-QZTJIDSGSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001295520177 1063556254 /nfs/dbraw/zinc/55/62/54/1063556254.db2.gz TTWHVAQHLDVLBQ-HXUWFJFHSA-N 2 1 475.707 2.913 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001295520177 1063556271 /nfs/dbraw/zinc/55/62/71/1063556271.db2.gz TTWHVAQHLDVLBQ-HXUWFJFHSA-N 2 1 475.707 2.913 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001295523745 1063561075 /nfs/dbraw/zinc/56/10/75/1063561075.db2.gz YOHYKLUMDCFVJI-SFTDATJTSA-N 2 1 459.683 2.689 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001295528771 1063566416 /nfs/dbraw/zinc/56/64/16/1063566416.db2.gz UZJHMXJIJZABMN-SFHVURJKSA-N 2 1 450.990 2.990 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001295528771 1063566424 /nfs/dbraw/zinc/56/64/24/1063566424.db2.gz UZJHMXJIJZABMN-SFHVURJKSA-N 2 1 450.990 2.990 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001295560387 1063593480 /nfs/dbraw/zinc/59/34/80/1063593480.db2.gz SSTXXFCOLKJNJQ-LJQANCHMSA-N 2 1 452.582 2.927 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295564350 1063598002 /nfs/dbraw/zinc/59/80/02/1063598002.db2.gz UPRKQGGUGSOQOI-IFMALSPDSA-N 2 1 458.626 2.897 20 0 JFADMP C[C@@H]1C[N@H+](CCCn2c(CC(C)(C)C)nnc2N2CCC[NH+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675939 /nfs/dbraw/zinc/67/59/39/1063675939.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 2 1 486.709 2.812 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675952 /nfs/dbraw/zinc/67/59/52/1063675952.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 2 1 486.709 2.812 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292565 1063675958 /nfs/dbraw/zinc/67/59/58/1063675958.db2.gz GHLFFOPATOYWEZ-SZPZYZBQSA-N 2 1 486.709 2.812 20 0 JFADMP CC[N@@H+](CCn1c(C2CC2)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)CCC(F)(F)F ZINC001295846344 1063868279 /nfs/dbraw/zinc/86/82/79/1063868279.db2.gz RPGLCDKIUUWFBI-RXVVDRJESA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)CCC(F)(F)F ZINC001295846344 1063868288 /nfs/dbraw/zinc/86/82/88/1063868288.db2.gz RPGLCDKIUUWFBI-RXVVDRJESA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1)CCC(F)(F)F ZINC001295846344 1063868299 /nfs/dbraw/zinc/86/82/99/1063868299.db2.gz RPGLCDKIUUWFBI-RXVVDRJESA-N 2 1 499.626 2.809 20 0 JFADMP CC[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854135 1063882038 /nfs/dbraw/zinc/88/20/38/1063882038.db2.gz DECIEAYSINSAEE-HXUWFJFHSA-N 2 1 484.542 2.803 20 0 JFADMP CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854135 1063882055 /nfs/dbraw/zinc/88/20/55/1063882055.db2.gz DECIEAYSINSAEE-HXUWFJFHSA-N 2 1 484.542 2.803 20 0 JFADMP CC[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854135 1063882062 /nfs/dbraw/zinc/88/20/62/1063882062.db2.gz DECIEAYSINSAEE-HXUWFJFHSA-N 2 1 484.542 2.803 20 0 JFADMP CC[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001295854135 1063882066 /nfs/dbraw/zinc/88/20/66/1063882066.db2.gz DECIEAYSINSAEE-HXUWFJFHSA-N 2 1 484.542 2.803 20 0 JFADMP CC[N@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1)C(C)C ZINC001295865478 1063897902 /nfs/dbraw/zinc/89/79/02/1063897902.db2.gz LDPPUSYKTNWWSJ-JOCHJYFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[N@@H+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[NH+]2CCOC[C@H]2C1)C(C)C ZINC001295865478 1063897910 /nfs/dbraw/zinc/89/79/10/1063897910.db2.gz LDPPUSYKTNWWSJ-JOCHJYFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[NH+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C(C)C ZINC001295865478 1063897918 /nfs/dbraw/zinc/89/79/18/1063897918.db2.gz LDPPUSYKTNWWSJ-JOCHJYFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[NH+](CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C(C)C ZINC001295865478 1063897923 /nfs/dbraw/zinc/89/79/23/1063897923.db2.gz LDPPUSYKTNWWSJ-JOCHJYFZSA-N 2 1 456.635 2.725 20 0 JFADMP CC[N@@H+](CCn1c(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868223 1063904413 /nfs/dbraw/zinc/90/44/13/1063904413.db2.gz GLLKTUPVAKSNEW-SFHVURJKSA-N 2 1 487.615 2.593 20 0 JFADMP CC[NH+](CCn1c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868223 1063904423 /nfs/dbraw/zinc/90/44/23/1063904423.db2.gz GLLKTUPVAKSNEW-SFHVURJKSA-N 2 1 487.615 2.593 20 0 JFADMP CC[NH+](CCn1c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868223 1063904438 /nfs/dbraw/zinc/90/44/38/1063904438.db2.gz GLLKTUPVAKSNEW-SFHVURJKSA-N 2 1 487.615 2.593 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001295975473 1064019208 /nfs/dbraw/zinc/01/92/08/1064019208.db2.gz DJYREEHEWZOTMJ-UXHICEINSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001295975473 1064019213 /nfs/dbraw/zinc/01/92/13/1064019213.db2.gz DJYREEHEWZOTMJ-UXHICEINSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001295975471 1064019268 /nfs/dbraw/zinc/01/92/68/1064019268.db2.gz DJYREEHEWZOTMJ-PMACEKPBSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001295975471 1064019278 /nfs/dbraw/zinc/01/92/78/1064019278.db2.gz DJYREEHEWZOTMJ-PMACEKPBSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@H]1C ZINC001295976267 1064022158 /nfs/dbraw/zinc/02/21/58/1064022158.db2.gz HFBQOMJOAKEVTP-XQBPLPMBSA-N 2 1 471.625 2.875 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295976628 1064022572 /nfs/dbraw/zinc/02/25/72/1064022572.db2.gz HUINMYASCDUKKX-DHIUTWEWSA-N 2 1 496.704 2.548 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC001295978347 1064025518 /nfs/dbraw/zinc/02/55/18/1064025518.db2.gz RQMIINPXRAWSBY-IRFCIJBXSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001295978347 1064025525 /nfs/dbraw/zinc/02/55/25/1064025525.db2.gz RQMIINPXRAWSBY-IRFCIJBXSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001295978347 1064025532 /nfs/dbraw/zinc/02/55/32/1064025532.db2.gz RQMIINPXRAWSBY-IRFCIJBXSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C1CC1 ZINC001295978775 1064026447 /nfs/dbraw/zinc/02/64/47/1064026447.db2.gz SWDNMLXXXXYATM-RBUKOAKNSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C)C1CC1 ZINC001295978775 1064026451 /nfs/dbraw/zinc/02/64/51/1064026451.db2.gz SWDNMLXXXXYATM-RBUKOAKNSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C)C1CC1 ZINC001295978775 1064026455 /nfs/dbraw/zinc/02/64/55/1064026455.db2.gz SWDNMLXXXXYATM-RBUKOAKNSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001295982017 1064032705 /nfs/dbraw/zinc/03/27/05/1064032705.db2.gz VZHURBVXKRREFH-FSSWDIPSSA-N 2 1 459.683 2.945 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001295981825 1064033224 /nfs/dbraw/zinc/03/32/24/1064033224.db2.gz BHEDQHXMGAZUQD-PMACEKPBSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983174 1064038365 /nfs/dbraw/zinc/03/83/65/1064038365.db2.gz YOMJFHCIJOADGG-ZRBLBEILSA-N 2 1 496.704 2.546 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058346 /nfs/dbraw/zinc/05/83/46/1064058346.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058354 /nfs/dbraw/zinc/05/83/54/1064058354.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058365 /nfs/dbraw/zinc/05/83/65/1064058365.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 2 1 470.662 2.907 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296003316 1064058372 /nfs/dbraw/zinc/05/83/72/1064058372.db2.gz SUXYLFBYIHHJJC-LEWJYISDSA-N 2 1 470.662 2.907 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001296010434 1064068422 /nfs/dbraw/zinc/06/84/22/1064068422.db2.gz LDIKUNUOKFLBDO-SQNIBIBYSA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001296010434 1064068432 /nfs/dbraw/zinc/06/84/32/1064068432.db2.gz LDIKUNUOKFLBDO-SQNIBIBYSA-N 2 1 459.664 2.671 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001296010434 1064068438 /nfs/dbraw/zinc/06/84/38/1064068438.db2.gz LDIKUNUOKFLBDO-SQNIBIBYSA-N 2 1 459.664 2.671 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C[C@](C)(O)C(C)C)C[C@@H]1C ZINC001296011895 1064072218 /nfs/dbraw/zinc/07/22/18/1064072218.db2.gz XGRMLDOKCAIRNO-QONNDPFASA-N 2 1 497.732 2.969 20 0 JFADMP CC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296036156 1064095002 /nfs/dbraw/zinc/09/50/02/1064095002.db2.gz GIBMBHJCYGGZJS-QGZVFWFLSA-N 2 1 494.482 2.925 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296036156 1064095009 /nfs/dbraw/zinc/09/50/09/1064095009.db2.gz GIBMBHJCYGGZJS-QGZVFWFLSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001296036156 1064095017 /nfs/dbraw/zinc/09/50/17/1064095017.db2.gz GIBMBHJCYGGZJS-QGZVFWFLSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001296036156 1064095024 /nfs/dbraw/zinc/09/50/24/1064095024.db2.gz GIBMBHJCYGGZJS-QGZVFWFLSA-N 2 1 494.482 2.925 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001296059434 1064122268 /nfs/dbraw/zinc/12/22/68/1064122268.db2.gz FQDMCGHGRPKBCJ-OAQYLSRUSA-N 2 1 474.675 2.800 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nnc1C(C)(C)C ZINC001296076222 1064144417 /nfs/dbraw/zinc/14/44/17/1064144417.db2.gz UGXPOLRYGPXQSU-JOCHJYFZSA-N 2 1 473.710 2.878 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001296084737 1064152284 /nfs/dbraw/zinc/15/22/84/1064152284.db2.gz ODVHCOQIHYBDHJ-RTWAWAEBSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001296084737 1064152287 /nfs/dbraw/zinc/15/22/87/1064152287.db2.gz ODVHCOQIHYBDHJ-RTWAWAEBSA-N 2 1 456.635 2.985 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001296084737 1064152290 /nfs/dbraw/zinc/15/22/90/1064152290.db2.gz ODVHCOQIHYBDHJ-RTWAWAEBSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291620519 1064159889 /nfs/dbraw/zinc/15/98/89/1064159889.db2.gz JWCKOQONOFTNBH-SFYKDHMMSA-N 2 1 450.697 2.918 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630161 1064175372 /nfs/dbraw/zinc/17/53/72/1064175372.db2.gz RPMGCXYKMQHORV-FGZHOGPDSA-N 3 1 454.667 2.929 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630161 1064175377 /nfs/dbraw/zinc/17/53/77/1064175377.db2.gz RPMGCXYKMQHORV-FGZHOGPDSA-N 2 1 454.667 2.929 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630161 1064175381 /nfs/dbraw/zinc/17/53/81/1064175381.db2.gz RPMGCXYKMQHORV-FGZHOGPDSA-N 2 1 454.667 2.929 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC001296118685 1064201481 /nfs/dbraw/zinc/20/14/81/1064201481.db2.gz HBSGATWALGHSKK-OAQYLSRUSA-N 2 1 459.683 2.656 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@H]3C)CC2)CC1 ZINC001296118685 1064201489 /nfs/dbraw/zinc/20/14/89/1064201489.db2.gz HBSGATWALGHSKK-OAQYLSRUSA-N 2 1 459.683 2.656 20 0 JFADMP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001296123593 1064216164 /nfs/dbraw/zinc/21/61/64/1064216164.db2.gz CABJSKQTNGHUIF-QFIPXVFZSA-N 2 1 468.694 2.923 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001296123593 1064216175 /nfs/dbraw/zinc/21/61/75/1064216175.db2.gz CABJSKQTNGHUIF-QFIPXVFZSA-N 2 1 468.694 2.923 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001296123593 1064216182 /nfs/dbraw/zinc/21/61/82/1064216182.db2.gz CABJSKQTNGHUIF-QFIPXVFZSA-N 2 1 468.694 2.923 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001296125068 1064217900 /nfs/dbraw/zinc/21/79/00/1064217900.db2.gz KXZOGEONKXYMIY-QFIPXVFZSA-N 2 1 468.694 2.924 20 0 JFADMP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001296130963 1064224483 /nfs/dbraw/zinc/22/44/83/1064224483.db2.gz GXYQPKXXIQGINZ-RTWAWAEBSA-N 2 1 457.642 2.564 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291759417 1064239412 /nfs/dbraw/zinc/23/94/12/1064239412.db2.gz DYIDNKMNKXETLV-QTEQDKRBSA-N 2 1 456.635 2.841 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291759417 1064239420 /nfs/dbraw/zinc/23/94/20/1064239420.db2.gz DYIDNKMNKXETLV-QTEQDKRBSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CC[NH+](CCOC(C)C)CC3)cn2)CC1 ZINC001296135778 1064240508 /nfs/dbraw/zinc/24/05/08/1064240508.db2.gz BSNOWECSPRUBIL-UHFFFAOYSA-N 2 1 484.693 2.534 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001291762597 1064243717 /nfs/dbraw/zinc/24/37/17/1064243717.db2.gz YXOLBMRMNDIEAU-PMACEKPBSA-N 2 1 454.623 2.720 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291763378 1064244315 /nfs/dbraw/zinc/24/43/15/1064244315.db2.gz WHZMYIQVWFCFOU-UWVAXJGDSA-N 2 1 494.482 2.923 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291763378 1064244321 /nfs/dbraw/zinc/24/43/21/1064244321.db2.gz WHZMYIQVWFCFOU-UWVAXJGDSA-N 2 1 494.482 2.923 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001291765650 1064246903 /nfs/dbraw/zinc/24/69/03/1064246903.db2.gz ORDUWBGICFNNQV-IRLDBZIGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001291765650 1064246911 /nfs/dbraw/zinc/24/69/11/1064246911.db2.gz ORDUWBGICFNNQV-IRLDBZIGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001291765650 1064246919 /nfs/dbraw/zinc/24/69/19/1064246919.db2.gz ORDUWBGICFNNQV-IRLDBZIGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001291765650 1064246927 /nfs/dbraw/zinc/24/69/27/1064246927.db2.gz ORDUWBGICFNNQV-IRLDBZIGSA-N 2 1 486.661 2.992 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001291766677 1064247967 /nfs/dbraw/zinc/24/79/67/1064247967.db2.gz DYLLLMPHPFGVFX-RTWAWAEBSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001296141948 1064248112 /nfs/dbraw/zinc/24/81/12/1064248112.db2.gz HCOPGBCDVPAKEV-SFHVURJKSA-N 2 1 464.561 2.799 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001296141948 1064248121 /nfs/dbraw/zinc/24/81/21/1064248121.db2.gz HCOPGBCDVPAKEV-SFHVURJKSA-N 2 1 464.561 2.799 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001291767894 1064250283 /nfs/dbraw/zinc/25/02/83/1064250283.db2.gz OYFZUBUNXOZPCM-FQEVSTJZSA-N 2 1 451.619 2.992 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCOC)CC1 ZINC001291767894 1064250285 /nfs/dbraw/zinc/25/02/85/1064250285.db2.gz OYFZUBUNXOZPCM-FQEVSTJZSA-N 2 1 451.619 2.992 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296142656 1064250625 /nfs/dbraw/zinc/25/06/25/1064250625.db2.gz FDHFELQJJBRYEY-ZCNNSNEGSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296142656 1064250633 /nfs/dbraw/zinc/25/06/33/1064250633.db2.gz FDHFELQJJBRYEY-ZCNNSNEGSA-N 2 1 454.623 2.576 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296142656 1064250642 /nfs/dbraw/zinc/25/06/42/1064250642.db2.gz FDHFELQJJBRYEY-ZCNNSNEGSA-N 2 1 454.623 2.576 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[NH+]2CC=CCC2)C[C@H]1C ZINC001296143256 1064251893 /nfs/dbraw/zinc/25/18/93/1064251893.db2.gz HCTKDSUBPSIDMC-LJQANCHMSA-N 2 1 472.037 2.654 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@H+]2CC=CCC2)C[C@H]1C ZINC001296143256 1064251901 /nfs/dbraw/zinc/25/19/01/1064251901.db2.gz HCTKDSUBPSIDMC-LJQANCHMSA-N 2 1 472.037 2.654 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC[N@@H+]2CC=CCC2)C[C@H]1C ZINC001296143256 1064251909 /nfs/dbraw/zinc/25/19/09/1064251909.db2.gz HCTKDSUBPSIDMC-LJQANCHMSA-N 2 1 472.037 2.654 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+](C)CCOC)C[C@@H]1C ZINC001296144852 1064254319 /nfs/dbraw/zinc/25/43/19/1064254319.db2.gz WZNTVVOLNCOPOE-KRWDZBQOSA-N 2 1 465.440 2.816 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)CCOC)C[C@@H]1C ZINC001296144852 1064254324 /nfs/dbraw/zinc/25/43/24/1064254324.db2.gz WZNTVVOLNCOPOE-KRWDZBQOSA-N 2 1 465.440 2.816 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)C[C@@H]1C ZINC001296144852 1064254330 /nfs/dbraw/zinc/25/43/30/1064254330.db2.gz WZNTVVOLNCOPOE-KRWDZBQOSA-N 2 1 465.440 2.816 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771511 1064254587 /nfs/dbraw/zinc/25/45/87/1064254587.db2.gz GKNIIUQTJYMCLO-NNWRFLSQSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291771511 1064254592 /nfs/dbraw/zinc/25/45/92/1064254592.db2.gz GKNIIUQTJYMCLO-NNWRFLSQSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291771511 1064254599 /nfs/dbraw/zinc/25/45/99/1064254599.db2.gz GKNIIUQTJYMCLO-NNWRFLSQSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291772453 1064255825 /nfs/dbraw/zinc/25/58/25/1064255825.db2.gz ONYJFHZVVMKJNM-IBGZPJMESA-N 2 1 480.661 2.889 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291772997 1064257295 /nfs/dbraw/zinc/25/72/95/1064257295.db2.gz DFPXTBPPPRBUCV-IFMALSPDSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291772997 1064257303 /nfs/dbraw/zinc/25/73/03/1064257303.db2.gz DFPXTBPPPRBUCV-IFMALSPDSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772958 1064257351 /nfs/dbraw/zinc/25/73/51/1064257351.db2.gz CUTHSZBVLGXCGH-UTZODRGISA-N 2 1 480.723 2.611 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772958 1064257360 /nfs/dbraw/zinc/25/73/60/1064257360.db2.gz CUTHSZBVLGXCGH-UTZODRGISA-N 2 1 480.723 2.611 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001296148613 1064260718 /nfs/dbraw/zinc/26/07/18/1064260718.db2.gz AEVXXAFVMKBNHK-SFTDATJTSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001296148613 1064260722 /nfs/dbraw/zinc/26/07/22/1064260722.db2.gz AEVXXAFVMKBNHK-SFTDATJTSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001296148613 1064260728 /nfs/dbraw/zinc/26/07/28/1064260728.db2.gz AEVXXAFVMKBNHK-SFTDATJTSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148727 1064260896 /nfs/dbraw/zinc/26/08/96/1064260896.db2.gz ZUIWDRGCPDWHKZ-REWPJTCUSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148727 1064260901 /nfs/dbraw/zinc/26/09/01/1064260901.db2.gz ZUIWDRGCPDWHKZ-REWPJTCUSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148727 1064260911 /nfs/dbraw/zinc/26/09/11/1064260911.db2.gz ZUIWDRGCPDWHKZ-REWPJTCUSA-N 2 1 456.635 2.841 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774665 1064263120 /nfs/dbraw/zinc/26/31/20/1064263120.db2.gz QBXLQCUTAUTNEX-IFMALSPDSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291774665 1064263131 /nfs/dbraw/zinc/26/31/31/1064263131.db2.gz QBXLQCUTAUTNEX-IFMALSPDSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291774665 1064263141 /nfs/dbraw/zinc/26/31/41/1064263141.db2.gz QBXLQCUTAUTNEX-IFMALSPDSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001291782421 1064271170 /nfs/dbraw/zinc/27/11/70/1064271170.db2.gz OVQAGZXWANOFFS-GMAHTHKFSA-N 2 1 455.651 2.543 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001296160811 1064274841 /nfs/dbraw/zinc/27/48/41/1064274841.db2.gz PMHJJDXILVICBZ-VAMGGRTRSA-N 2 1 463.671 2.873 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001291783415 1064276317 /nfs/dbraw/zinc/27/63/17/1064276317.db2.gz LHQSFXNWECAYAK-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001291783415 1064276325 /nfs/dbraw/zinc/27/63/25/1064276325.db2.gz LHQSFXNWECAYAK-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291783415 1064276332 /nfs/dbraw/zinc/27/63/32/1064276332.db2.gz LHQSFXNWECAYAK-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291785917 1064282250 /nfs/dbraw/zinc/28/22/50/1064282250.db2.gz YNDYBGJROAREJC-NRFANRHFSA-N 2 1 459.683 2.833 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296166221 1064286934 /nfs/dbraw/zinc/28/69/34/1064286934.db2.gz NHBGFRHKKJANAT-FCHUYYIVSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296166221 1064286949 /nfs/dbraw/zinc/28/69/49/1064286949.db2.gz NHBGFRHKKJANAT-FCHUYYIVSA-N 2 1 456.635 2.664 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296167112 1064289105 /nfs/dbraw/zinc/28/91/05/1064289105.db2.gz QRXZWNCVGZZFPG-VQTJNVASSA-N 2 1 473.691 2.922 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC001296167346 1064290039 /nfs/dbraw/zinc/29/00/39/1064290039.db2.gz GLBDPLFOMXVULX-NRFANRHFSA-N 2 1 463.630 2.783 20 0 JFADMP CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173527 1064296198 /nfs/dbraw/zinc/29/61/98/1064296198.db2.gz JHGHGCYEQXUZLO-NJDAHSKKSA-N 2 1 462.683 2.838 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173527 1064296210 /nfs/dbraw/zinc/29/62/10/1064296210.db2.gz JHGHGCYEQXUZLO-NJDAHSKKSA-N 2 1 462.683 2.838 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173527 1064296223 /nfs/dbraw/zinc/29/62/23/1064296223.db2.gz JHGHGCYEQXUZLO-NJDAHSKKSA-N 2 1 462.683 2.838 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001296173527 1064296235 /nfs/dbraw/zinc/29/62/35/1064296235.db2.gz JHGHGCYEQXUZLO-NJDAHSKKSA-N 2 1 462.683 2.838 20 0 JFADMP CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296182382 1064323404 /nfs/dbraw/zinc/32/34/04/1064323404.db2.gz RINFQFPNCQGUMX-IRLDBZIGSA-N 2 1 459.708 2.877 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195661 1064362484 /nfs/dbraw/zinc/36/24/84/1064362484.db2.gz WXWZCXUVRKBLFF-GOTSBHOMSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195661 1064362486 /nfs/dbraw/zinc/36/24/86/1064362486.db2.gz WXWZCXUVRKBLFF-GOTSBHOMSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195661 1064362488 /nfs/dbraw/zinc/36/24/88/1064362488.db2.gz WXWZCXUVRKBLFF-GOTSBHOMSA-N 2 1 461.699 2.714 20 0 JFADMP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195658 1064362559 /nfs/dbraw/zinc/36/25/59/1064362559.db2.gz WXWZCXUVRKBLFF-DHIUTWEWSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195658 1064362568 /nfs/dbraw/zinc/36/25/68/1064362568.db2.gz WXWZCXUVRKBLFF-DHIUTWEWSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195658 1064362583 /nfs/dbraw/zinc/36/25/83/1064362583.db2.gz WXWZCXUVRKBLFF-DHIUTWEWSA-N 2 1 461.699 2.714 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296196243 1064365690 /nfs/dbraw/zinc/36/56/90/1064365690.db2.gz TUWBOHGDDCCTDC-QFIPXVFZSA-N 2 1 470.710 2.868 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296196243 1064365699 /nfs/dbraw/zinc/36/56/99/1064365699.db2.gz TUWBOHGDDCCTDC-QFIPXVFZSA-N 2 1 470.710 2.868 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296196243 1064365712 /nfs/dbraw/zinc/36/57/12/1064365712.db2.gz TUWBOHGDDCCTDC-QFIPXVFZSA-N 2 1 470.710 2.868 20 0 JFADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888803 1064512858 /nfs/dbraw/zinc/51/28/58/1064512858.db2.gz RGLZEQDUZHZWFK-DNQXCXABSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888803 1064512870 /nfs/dbraw/zinc/51/28/70/1064512870.db2.gz RGLZEQDUZHZWFK-DNQXCXABSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888803 1064512881 /nfs/dbraw/zinc/51/28/81/1064512881.db2.gz RGLZEQDUZHZWFK-DNQXCXABSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291892725 1064520108 /nfs/dbraw/zinc/52/01/08/1064520108.db2.gz HHXMNIZSJVLPLR-HSZRJFAPSA-N 2 1 470.662 2.699 20 0 JFADMP Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3C[N@H+]3CCC[C@H]3CO)CC2)c1 ZINC001296281099 1064552204 /nfs/dbraw/zinc/55/22/04/1064552204.db2.gz SNZYQWAFQCTPJI-SANMLTNESA-N 2 1 450.627 2.780 20 0 JFADMP CCC(CC)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967944 1064583597 /nfs/dbraw/zinc/58/35/97/1064583597.db2.gz NSIOWXAWWBGTFZ-XKCSPQBFSA-N 2 1 462.683 2.838 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CC[NH+]1CCSCC1 ZINC001292062957 1064735094 /nfs/dbraw/zinc/73/50/94/1064735094.db2.gz JIDJZBDYDCBIHR-UHFFFAOYSA-N 2 1 477.723 2.700 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+]1CCCCC1 ZINC001292125938 1064873154 /nfs/dbraw/zinc/87/31/54/1064873154.db2.gz NBUWGGUFCGWWHO-HXUWFJFHSA-N 2 1 459.683 2.993 20 0 JFADMP CCc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001292867452 1065580285 /nfs/dbraw/zinc/58/02/85/1065580285.db2.gz KLJDYWYYFKEYQE-ZFGGDYGUSA-N 2 1 472.682 2.594 20 0 JFADMP CCc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001292867452 1065580294 /nfs/dbraw/zinc/58/02/94/1065580294.db2.gz KLJDYWYYFKEYQE-ZFGGDYGUSA-N 2 1 472.682 2.594 20 0 JFADMP CCc1nnc(N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001292867452 1065580301 /nfs/dbraw/zinc/58/03/01/1065580301.db2.gz KLJDYWYYFKEYQE-ZFGGDYGUSA-N 2 1 472.682 2.594 20 0 JFADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636871 /nfs/dbraw/zinc/63/68/71/1065636871.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 2 1 455.672 2.843 20 0 JFADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636882 /nfs/dbraw/zinc/63/68/82/1065636882.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 2 1 455.672 2.843 20 0 JFADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636892 /nfs/dbraw/zinc/63/68/92/1065636892.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 2 1 455.672 2.843 20 0 JFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636911 /nfs/dbraw/zinc/63/69/11/1065636911.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 2 1 455.672 2.843 20 0 JFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC001292958988 1065636916 /nfs/dbraw/zinc/63/69/16/1065636916.db2.gz SGFHXUANLCVCGV-DHIUTWEWSA-N 2 1 455.672 2.843 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC001293082718 1065732333 /nfs/dbraw/zinc/73/23/33/1065732333.db2.gz SRRGPWMDOCZQOU-LOSJGSFVSA-N 2 1 454.659 2.937 20 0 JFADMP CCc1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001293124546 1065777240 /nfs/dbraw/zinc/77/72/40/1065777240.db2.gz VHYKVIPRYHCACU-QFIPXVFZSA-N 2 1 470.662 2.667 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[NH+]2CC)CC[N@H+]1CCOC ZINC001293538954 1066056769 /nfs/dbraw/zinc/05/67/69/1066056769.db2.gz HLGMUFDOJWHDFD-FGZHOGPDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001293538954 1066056779 /nfs/dbraw/zinc/05/67/79/1066056779.db2.gz HLGMUFDOJWHDFD-FGZHOGPDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCC[N@H+]2CC)CC[NH+]1CCOC ZINC001293538954 1066056798 /nfs/dbraw/zinc/05/67/98/1066056798.db2.gz HLGMUFDOJWHDFD-FGZHOGPDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293562581 1066075847 /nfs/dbraw/zinc/07/58/47/1066075847.db2.gz VFGWTTFEQOXRRS-XUZZJYLKSA-N 2 1 458.676 2.929 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001293565343 1066077364 /nfs/dbraw/zinc/07/73/64/1066077364.db2.gz LLWNWUAWVIZXGA-HXUWFJFHSA-N 2 1 477.053 2.868 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001293565343 1066077374 /nfs/dbraw/zinc/07/73/74/1066077374.db2.gz LLWNWUAWVIZXGA-HXUWFJFHSA-N 2 1 477.053 2.868 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](C(C)C)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293580680 1066089858 /nfs/dbraw/zinc/08/98/58/1066089858.db2.gz ZDGZUKLVLXJBRW-FYYLOGMGSA-N 2 1 470.666 2.791 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@H+]1CCOC ZINC001293587778 1066095641 /nfs/dbraw/zinc/09/56/41/1066095641.db2.gz QSRGUGLFXUIPPQ-GGAORHGYSA-N 2 1 492.709 2.956 20 0 JFADMP CC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)[NH+]2CCC(OC)CC2)CC[N@H+]1CCOC ZINC001293587785 1066095825 /nfs/dbraw/zinc/09/58/25/1066095825.db2.gz QSRGUGLFXUIPPQ-JTHBVZDNSA-N 2 1 492.709 2.956 20 0 JFADMP CC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001293592612 1066098245 /nfs/dbraw/zinc/09/82/45/1066098245.db2.gz BVDBJTSNKUKMJC-GOTSBHOMSA-N 2 1 462.683 2.841 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293603100 1066120009 /nfs/dbraw/zinc/12/00/09/1066120009.db2.gz SYTHXBLARHDXDZ-MYDTUXCISA-N 2 1 476.710 2.913 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293609634 1066124857 /nfs/dbraw/zinc/12/48/57/1066124857.db2.gz RLCCTOTUKVDSLW-ZRBLBEILSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293609634 1066124860 /nfs/dbraw/zinc/12/48/60/1066124860.db2.gz RLCCTOTUKVDSLW-ZRBLBEILSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001293612236 1066127557 /nfs/dbraw/zinc/12/75/57/1066127557.db2.gz KRNBWXXBUDRMOT-HSZRJFAPSA-N 2 1 455.651 2.543 20 0 JFADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCC(C)(C)C2)CC[N@H+]1CCOC ZINC001293623819 1066140077 /nfs/dbraw/zinc/14/00/77/1066140077.db2.gz UIFKORRBQWOGTG-QHCPKHFHSA-N 2 1 469.678 2.933 20 0 JFADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001293623819 1066140081 /nfs/dbraw/zinc/14/00/81/1066140081.db2.gz UIFKORRBQWOGTG-QHCPKHFHSA-N 2 1 469.678 2.933 20 0 JFADMP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC[N@H+]2CCCC(C)(C)C2)CC[NH+]1CCOC ZINC001293623819 1066140086 /nfs/dbraw/zinc/14/00/86/1066140086.db2.gz UIFKORRBQWOGTG-QHCPKHFHSA-N 2 1 469.678 2.933 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001293635127 1066150730 /nfs/dbraw/zinc/15/07/30/1066150730.db2.gz LFXPMQUTYLNNSI-DNQXCXABSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635127 1066150734 /nfs/dbraw/zinc/15/07/34/1066150734.db2.gz LFXPMQUTYLNNSI-DNQXCXABSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635127 1066150736 /nfs/dbraw/zinc/15/07/36/1066150736.db2.gz LFXPMQUTYLNNSI-DNQXCXABSA-N 2 1 486.709 2.807 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC001294066942 1066537343 /nfs/dbraw/zinc/53/73/43/1066537343.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001294066942 1066537350 /nfs/dbraw/zinc/53/73/50/1066537350.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001294066942 1066537359 /nfs/dbraw/zinc/53/73/59/1066537359.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001294066942 1066537368 /nfs/dbraw/zinc/53/73/68/1066537368.db2.gz JAFXMSSVBOEPPH-NRFANRHFSA-N 2 1 474.650 2.894 20 0 JFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424082 718916471 /nfs/dbraw/zinc/91/64/71/718916471.db2.gz KUYFKKZRCPBSLR-AVRWGWEMSA-N 2 1 471.671 2.997 20 0 JFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716254 720122423 /nfs/dbraw/zinc/12/24/23/720122423.db2.gz JNPDWYUAXYBUFN-OAQYLSRUSA-N 2 1 450.587 2.980 20 0 JFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716254 720122428 /nfs/dbraw/zinc/12/24/28/720122428.db2.gz JNPDWYUAXYBUFN-OAQYLSRUSA-N 2 1 450.587 2.980 20 0 JFADMP CCc1cc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164714765 720128122 /nfs/dbraw/zinc/12/81/22/720128122.db2.gz YPJGUWOSLIUKMK-HSZRJFAPSA-N 2 1 466.630 2.778 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3C1CCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164719479 720184513 /nfs/dbraw/zinc/18/45/13/720184513.db2.gz VIWJHNNTSCPDBP-NRFANRHFSA-N 2 1 450.591 2.891 20 0 JFADMP Cn1nnc2c1CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718786 720185468 /nfs/dbraw/zinc/18/54/68/720185468.db2.gz REXAUSIEJLSXLG-FQEVSTJZSA-N 2 1 460.026 2.676 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164822564 720313510 /nfs/dbraw/zinc/31/35/10/720313510.db2.gz NAJWURPFPSCMHC-UIOOFZCWSA-N 2 1 474.653 2.946 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164822564 720313518 /nfs/dbraw/zinc/31/35/18/720313518.db2.gz NAJWURPFPSCMHC-UIOOFZCWSA-N 2 1 474.653 2.946 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccc[nH+]c1 ZINC001164754583 720876498 /nfs/dbraw/zinc/87/64/98/720876498.db2.gz SBGZXPKJRXSEQY-RXFWQSSRSA-N 2 1 476.581 2.846 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccc[nH+]c1 ZINC001164754583 720876500 /nfs/dbraw/zinc/87/65/00/720876500.db2.gz SBGZXPKJRXSEQY-RXFWQSSRSA-N 2 1 476.581 2.846 20 0 JFADMP Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748537 720877270 /nfs/dbraw/zinc/87/72/70/720877270.db2.gz FVGSFQRPCMLSQT-CJFMBICVSA-N 2 1 469.033 2.926 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC3([NH+](C)C)CCC3)C[C@@H]2C)CC1 ZINC001286868464 1061257211 /nfs/dbraw/zinc/25/72/11/1061257211.db2.gz AHWAWGBGQXQWCJ-UNMCSNQZSA-N 2 1 473.710 2.730 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886556 1061329375 /nfs/dbraw/zinc/32/93/75/1061329375.db2.gz FRWJHZKDYDFJFN-IRLDBZIGSA-N 2 1 473.710 2.829 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC3([NH+](C)C)CCCCC3)C[C@@H]2C)CC1 ZINC001286886684 1061330744 /nfs/dbraw/zinc/33/07/44/1061330744.db2.gz HMPKZOYXFIHSJU-UNMCSNQZSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886975 1061332991 /nfs/dbraw/zinc/33/29/91/1061332991.db2.gz LIEWYTHLPYXJSJ-RCZVLFRGSA-N 2 1 481.689 2.912 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886975 1061333008 /nfs/dbraw/zinc/33/30/08/1061333008.db2.gz LIEWYTHLPYXJSJ-RCZVLFRGSA-N 2 1 481.689 2.912 20 0 JFADMP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001294208466 1061711119 /nfs/dbraw/zinc/71/11/19/1061711119.db2.gz DSCPVRMFAWYMQM-QFIPXVFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCOC(C)(C)C2)CC1 ZINC001294208466 1061711141 /nfs/dbraw/zinc/71/11/41/1061711141.db2.gz DSCPVRMFAWYMQM-QFIPXVFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[NH+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294208466 1061711163 /nfs/dbraw/zinc/71/11/63/1061711163.db2.gz DSCPVRMFAWYMQM-QFIPXVFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[NH+](C)CC1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294208466 1061711184 /nfs/dbraw/zinc/71/11/84/1061711184.db2.gz DSCPVRMFAWYMQM-QFIPXVFZSA-N 2 1 462.683 2.841 20 0 JFADMP CCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001294210074 1061713738 /nfs/dbraw/zinc/71/37/38/1061713738.db2.gz GKTWQBFWRJKSJQ-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP CCCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001294210074 1061713753 /nfs/dbraw/zinc/71/37/53/1061713753.db2.gz GKTWQBFWRJKSJQ-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP CCCC[NH+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001294210074 1061713767 /nfs/dbraw/zinc/71/37/67/1061713767.db2.gz GKTWQBFWRJKSJQ-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP Cc1ccccc1-c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290107683 1061835457 /nfs/dbraw/zinc/83/54/57/1061835457.db2.gz QBTMXMZKBAHPCZ-UHFFFAOYSA-N 2 1 470.662 2.911 20 0 JFADMP Cc1ccccc1-c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001290107683 1061835471 /nfs/dbraw/zinc/83/54/71/1061835471.db2.gz QBTMXMZKBAHPCZ-UHFFFAOYSA-N 2 1 470.662 2.911 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001294455429 1062002520 /nfs/dbraw/zinc/00/25/20/1062002520.db2.gz DMTMHIGIIQURCM-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001294455429 1062002545 /nfs/dbraw/zinc/00/25/45/1062002545.db2.gz DMTMHIGIIQURCM-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001294455425 1062002761 /nfs/dbraw/zinc/00/27/61/1062002761.db2.gz DMTMHIGIIQURCM-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001294455425 1062002784 /nfs/dbraw/zinc/00/27/84/1062002784.db2.gz DMTMHIGIIQURCM-MSOLQXFVSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[NH+](C)C2)C1 ZINC001294460566 1062008390 /nfs/dbraw/zinc/00/83/90/1062008390.db2.gz GSGSQUPXRMOHQI-FDDCHVKYSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001294460566 1062008414 /nfs/dbraw/zinc/00/84/14/1062008414.db2.gz GSGSQUPXRMOHQI-FDDCHVKYSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001294460566 1062008433 /nfs/dbraw/zinc/00/84/33/1062008433.db2.gz GSGSQUPXRMOHQI-FDDCHVKYSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294460568 1062008571 /nfs/dbraw/zinc/00/85/71/1062008571.db2.gz GSGSQUPXRMOHQI-MBSDFSHPSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294460568 1062008595 /nfs/dbraw/zinc/00/85/95/1062008595.db2.gz GSGSQUPXRMOHQI-MBSDFSHPSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294460568 1062008623 /nfs/dbraw/zinc/00/86/23/1062008623.db2.gz GSGSQUPXRMOHQI-MBSDFSHPSA-N 2 1 491.478 2.942 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001287041380 1062009317 /nfs/dbraw/zinc/00/93/17/1062009317.db2.gz JOCZFMYXCVRXLD-OAQYLSRUSA-N 2 1 462.683 2.841 20 0 JFADMP CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001287041380 1062009339 /nfs/dbraw/zinc/00/93/39/1062009339.db2.gz JOCZFMYXCVRXLD-OAQYLSRUSA-N 2 1 462.683 2.841 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463037 1062013383 /nfs/dbraw/zinc/01/33/83/1062013383.db2.gz NSGFSICFUWTCME-JTHBVZDNSA-N 2 1 455.651 2.865 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001294464825 1062014365 /nfs/dbraw/zinc/01/43/65/1062014365.db2.gz XTKFNLFIXZOREN-OAQYLSRUSA-N 2 1 455.651 2.744 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)[NH+](C)C)C1 ZINC001294467545 1062016379 /nfs/dbraw/zinc/01/63/79/1062016379.db2.gz GUSUQKFCJMXGFB-NHCUHLMSSA-N 2 1 469.682 2.570 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294474217 1062026674 /nfs/dbraw/zinc/02/66/74/1062026674.db2.gz OWNISYNORUFFOR-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001294474217 1062026701 /nfs/dbraw/zinc/02/67/01/1062026701.db2.gz OWNISYNORUFFOR-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001294506127 1062042856 /nfs/dbraw/zinc/04/28/56/1062042856.db2.gz QEPUGJQWBOFRRH-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP CCC[NH+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001294506127 1062042885 /nfs/dbraw/zinc/04/28/85/1062042885.db2.gz QEPUGJQWBOFRRH-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP CCC[NH+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001294506127 1062042904 /nfs/dbraw/zinc/04/29/04/1062042904.db2.gz QEPUGJQWBOFRRH-UHFFFAOYSA-N 2 1 467.662 2.958 20 0 JFADMP CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646497 1062176551 /nfs/dbraw/zinc/17/65/51/1062176551.db2.gz LFQMJKMUJWWQMV-QFIPXVFZSA-N 2 1 485.677 2.959 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[NH+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646497 1062176559 /nfs/dbraw/zinc/17/65/59/1062176559.db2.gz LFQMJKMUJWWQMV-QFIPXVFZSA-N 2 1 485.677 2.959 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646497 1062176569 /nfs/dbraw/zinc/17/65/69/1062176569.db2.gz LFQMJKMUJWWQMV-QFIPXVFZSA-N 2 1 485.677 2.959 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(-c3ccc(C)o3)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)C1 ZINC001294646497 1062176581 /nfs/dbraw/zinc/17/65/81/1062176581.db2.gz LFQMJKMUJWWQMV-QFIPXVFZSA-N 2 1 485.677 2.959 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cs1 ZINC001290430953 1062188661 /nfs/dbraw/zinc/18/86/61/1062188661.db2.gz FGXBZUHTSZXFAI-OAQYLSRUSA-N 2 1 461.680 2.521 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(N3CCN(C[C@@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224477 /nfs/dbraw/zinc/22/44/77/1062224477.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCN(C[C@@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224497 /nfs/dbraw/zinc/22/44/97/1062224497.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(N3CCN(C[C@@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668772 1062224511 /nfs/dbraw/zinc/22/45/11/1062224511.db2.gz CMQBTBBZTQYQCK-XZOQPEGZSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CCC[NH+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669303 1062225445 /nfs/dbraw/zinc/22/54/45/1062225445.db2.gz HHVIUWBLQRTRKQ-RDGATRHJSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCC[N@@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669303 1062225468 /nfs/dbraw/zinc/22/54/68/1062225468.db2.gz HHVIUWBLQRTRKQ-RDGATRHJSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCC[N@H+](C(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)C1 ZINC001294669303 1062225487 /nfs/dbraw/zinc/22/54/87/1062225487.db2.gz HHVIUWBLQRTRKQ-RDGATRHJSA-N 2 1 462.683 2.971 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001294671446 1062229931 /nfs/dbraw/zinc/22/99/31/1062229931.db2.gz WRIBJXRXJRBKST-RTBURBONSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001294671446 1062229950 /nfs/dbraw/zinc/22/99/50/1062229950.db2.gz WRIBJXRXJRBKST-RTBURBONSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001294671446 1062229958 /nfs/dbraw/zinc/22/99/58/1062229958.db2.gz WRIBJXRXJRBKST-RTBURBONSA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294675603 1062236969 /nfs/dbraw/zinc/23/69/69/1062236969.db2.gz LBHLXVGCDPFAMK-UQBPGWFLSA-N 2 1 474.625 2.934 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294688414 1062248673 /nfs/dbraw/zinc/24/86/73/1062248673.db2.gz YMWKPTSLRDBMMZ-XMMPIXPASA-N 2 1 461.054 2.900 20 0 JFADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294695561 1062257263 /nfs/dbraw/zinc/25/72/63/1062257263.db2.gz OBTVGGMEHFAZCT-OAQYLSRUSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001294695561 1062257283 /nfs/dbraw/zinc/25/72/83/1062257283.db2.gz OBTVGGMEHFAZCT-OAQYLSRUSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001294695561 1062257299 /nfs/dbraw/zinc/25/72/99/1062257299.db2.gz OBTVGGMEHFAZCT-OAQYLSRUSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[NH+]1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001294695561 1062257319 /nfs/dbraw/zinc/25/73/19/1062257319.db2.gz OBTVGGMEHFAZCT-OAQYLSRUSA-N 2 1 498.676 2.737 20 0 JFADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294697095 1062258500 /nfs/dbraw/zinc/25/85/00/1062258500.db2.gz SZEJONBUMARNFV-WWNPGLIZSA-N 2 1 459.683 2.655 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001294697095 1062258521 /nfs/dbraw/zinc/25/85/21/1062258521.db2.gz SZEJONBUMARNFV-WWNPGLIZSA-N 2 1 459.683 2.655 20 0 JFADMP CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294697096 1062258673 /nfs/dbraw/zinc/25/86/73/1062258673.db2.gz SZEJONBUMARNFV-YMPZKCBVSA-N 2 1 459.683 2.655 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001294697096 1062258694 /nfs/dbraw/zinc/25/86/94/1062258694.db2.gz SZEJONBUMARNFV-YMPZKCBVSA-N 2 1 459.683 2.655 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001294708360 1062274273 /nfs/dbraw/zinc/27/42/73/1062274273.db2.gz IMQYIGRNEOAHKN-GMAHTHKFSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001294708360 1062274282 /nfs/dbraw/zinc/27/42/82/1062274282.db2.gz IMQYIGRNEOAHKN-GMAHTHKFSA-N 2 1 455.651 2.685 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001294708360 1062274301 /nfs/dbraw/zinc/27/43/01/1062274301.db2.gz IMQYIGRNEOAHKN-GMAHTHKFSA-N 2 1 455.651 2.685 20 0 JFADMP Cc1[nH+]ccn1CCn1c(-c2ccccn2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001290523893 1062324530 /nfs/dbraw/zinc/32/45/30/1062324530.db2.gz UABWYDCELDKYBG-UHFFFAOYSA-N 2 1 478.523 2.636 20 0 JFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001294783062 1062389466 /nfs/dbraw/zinc/38/94/66/1062389466.db2.gz RJEVTYTVGHDOGV-HXUWFJFHSA-N 2 1 457.537 2.758 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605649 1062441705 /nfs/dbraw/zinc/44/17/05/1062441705.db2.gz LELOMSLYRWFFHO-QHCPKHFHSA-N 2 1 486.709 2.807 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290605649 1062441707 /nfs/dbraw/zinc/44/17/07/1062441707.db2.gz LELOMSLYRWFFHO-QHCPKHFHSA-N 2 1 486.709 2.807 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290648382 1062544883 /nfs/dbraw/zinc/54/48/83/1062544883.db2.gz UCAGVUOPPYFSNH-DEOSSOPVSA-N 2 1 486.709 2.807 20 0 JFADMP CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158600 1062552420 /nfs/dbraw/zinc/55/24/20/1062552420.db2.gz FUNUUCRNAAKFPE-ACESQOTJSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158600 1062552441 /nfs/dbraw/zinc/55/24/41/1062552441.db2.gz FUNUUCRNAAKFPE-ACESQOTJSA-N 2 1 462.683 2.838 20 0 JFADMP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290769731 1062685326 /nfs/dbraw/zinc/68/53/26/1062685326.db2.gz KYGBCFNXTHOLEX-JOCHJYFZSA-N 2 1 459.683 2.525 20 0 JFADMP Cc1cccc(N2CC[NH+](CCC(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)CC2)c1 ZINC001290791404 1062695343 /nfs/dbraw/zinc/69/53/43/1062695343.db2.gz GMYLMCDAZMRYKK-UHFFFAOYSA-N 2 1 453.606 2.585 20 0 JFADMP CC(C)c1nnc(N2CC[NH+](C3CCCCC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287220414 1062704831 /nfs/dbraw/zinc/70/48/31/1062704831.db2.gz VTCPNGZIBQCTMS-QFIPXVFZSA-N 2 1 459.683 2.799 20 0 JFADMP CC(C)Cc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001287414422 1062853847 /nfs/dbraw/zinc/85/38/47/1062853847.db2.gz ZBCXQNSHZNVTQT-SZPZYZBQSA-N 2 1 476.710 2.913 20 0 JFADMP CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291002331 1062898978 /nfs/dbraw/zinc/89/89/78/1062898978.db2.gz ULNQRFOIQJKMKT-OYRHEFFESA-N 2 1 459.683 2.687 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012420 1062916428 /nfs/dbraw/zinc/91/64/28/1062916428.db2.gz ZCPLWIFALSSFML-ZRBLBEILSA-N 2 1 494.750 2.859 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012420 1062916453 /nfs/dbraw/zinc/91/64/53/1062916453.db2.gz ZCPLWIFALSSFML-ZRBLBEILSA-N 2 1 494.750 2.859 20 0 JFADMP CC(C)[NH+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291012420 1062916476 /nfs/dbraw/zinc/91/64/76/1062916476.db2.gz ZCPLWIFALSSFML-ZRBLBEILSA-N 2 1 494.750 2.859 20 0 JFADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@H+](C(C)(C)C)CC2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001291012675 1062917993 /nfs/dbraw/zinc/91/79/93/1062917993.db2.gz CSYGCCWINNECQV-NJYVYQBISA-N 2 1 497.754 2.567 20 0 JFADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@H+](C)C(C)C ZINC001287481346 1062936387 /nfs/dbraw/zinc/93/63/87/1062936387.db2.gz IFSFELPGXHFOJB-UHFFFAOYSA-N 2 1 456.635 2.910 20 0 JFADMP CC(C)Cc1nnc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n1CC[N@@H+](C)C(C)C ZINC001287481346 1062936412 /nfs/dbraw/zinc/93/64/12/1062936412.db2.gz IFSFELPGXHFOJB-UHFFFAOYSA-N 2 1 456.635 2.910 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001291066538 1063012529 /nfs/dbraw/zinc/01/25/29/1063012529.db2.gz PCQSCJCMGSUBJH-BWKNWUBXSA-N 2 1 459.683 2.945 20 0 JFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096707 1063058136 /nfs/dbraw/zinc/05/81/36/1063058136.db2.gz JFJLBBGFRZBZJI-QHAWAJNXSA-N 2 1 459.683 2.908 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295326918 1063218288 /nfs/dbraw/zinc/21/82/88/1063218288.db2.gz GNPAKYPFZWDMSR-DHIUTWEWSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295326918 1063218304 /nfs/dbraw/zinc/21/83/04/1063218304.db2.gz GNPAKYPFZWDMSR-DHIUTWEWSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326918 1063218324 /nfs/dbraw/zinc/21/83/24/1063218324.db2.gz GNPAKYPFZWDMSR-DHIUTWEWSA-N 2 1 498.720 2.785 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295326918 1063218340 /nfs/dbraw/zinc/21/83/40/1063218340.db2.gz GNPAKYPFZWDMSR-DHIUTWEWSA-N 2 1 498.720 2.785 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144583 1063226083 /nfs/dbraw/zinc/22/60/83/1063226083.db2.gz QWZBWAGLLNEEMH-ZLNRFVROSA-N 2 1 469.678 2.930 20 0 JFADMP C[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001291144583 1063226100 /nfs/dbraw/zinc/22/61/00/1063226100.db2.gz QWZBWAGLLNEEMH-ZLNRFVROSA-N 2 1 469.678 2.930 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295329749 1063230330 /nfs/dbraw/zinc/23/03/30/1063230330.db2.gz WLVGTPSEGMGAGB-UHFFFAOYSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295329749 1063230343 /nfs/dbraw/zinc/23/03/43/1063230343.db2.gz WLVGTPSEGMGAGB-UHFFFAOYSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295335041 1063248758 /nfs/dbraw/zinc/24/87/58/1063248758.db2.gz WZSNJSBBQUOVPY-YADHBBJMSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295335041 1063248780 /nfs/dbraw/zinc/24/87/80/1063248780.db2.gz WZSNJSBBQUOVPY-YADHBBJMSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335041 1063248805 /nfs/dbraw/zinc/24/88/05/1063248805.db2.gz WZSNJSBBQUOVPY-YADHBBJMSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335041 1063248828 /nfs/dbraw/zinc/24/88/28/1063248828.db2.gz WZSNJSBBQUOVPY-YADHBBJMSA-N 2 1 473.710 2.732 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295360534 1063321223 /nfs/dbraw/zinc/32/12/23/1063321223.db2.gz FHFUGLDCEPWEFM-FXAWDEMLSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295360534 1063321256 /nfs/dbraw/zinc/32/12/56/1063321256.db2.gz FHFUGLDCEPWEFM-FXAWDEMLSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295390303 1063369523 /nfs/dbraw/zinc/36/95/23/1063369523.db2.gz NICRYVIDMPGTLD-MCEYFSPLSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001295392632 1063377033 /nfs/dbraw/zinc/37/70/33/1063377033.db2.gz ZYKZXRAJBXVKMK-NRFANRHFSA-N 2 1 487.718 2.795 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001295392632 1063377049 /nfs/dbraw/zinc/37/70/49/1063377049.db2.gz ZYKZXRAJBXVKMK-NRFANRHFSA-N 2 1 487.718 2.795 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295472206 1063477686 /nfs/dbraw/zinc/47/76/86/1063477686.db2.gz JBKNSMKMTIQBOR-RTWAWAEBSA-N 2 1 480.723 2.611 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295474769 1063483162 /nfs/dbraw/zinc/48/31/62/1063483162.db2.gz GZRHEUYPRZZVJU-SANMLTNESA-N 2 1 470.662 2.851 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483810 1063509016 /nfs/dbraw/zinc/50/90/16/1063509016.db2.gz IMAXMRSTEIUNQV-XZOQPEGZSA-N 2 1 489.709 2.631 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001295502139 1063535761 /nfs/dbraw/zinc/53/57/61/1063535761.db2.gz ARWXZMPTBZREAE-RTWAWAEBSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+](CC)CCCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001295541276 1063576185 /nfs/dbraw/zinc/57/61/85/1063576185.db2.gz IOUPRNOOXOWOQL-RBBKRZOGSA-N 2 1 461.699 2.587 20 0 JFADMP C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291275092 1063582524 /nfs/dbraw/zinc/58/25/24/1063582524.db2.gz MMXRFBJLXDWEPX-GMAHTHKFSA-N 2 1 470.662 2.644 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291292029 1063673466 /nfs/dbraw/zinc/67/34/66/1063673466.db2.gz XVUNTLHFZLFDCX-NHCUHLMSSA-N 2 1 472.682 2.735 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc(-c3cnn(C)c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291292031 1063673564 /nfs/dbraw/zinc/67/35/64/1063673564.db2.gz XVUNTLHFZLFDCX-SFTDATJTSA-N 2 1 472.682 2.735 20 0 JFADMP C[C@H]1C[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC001291292566 1063677066 /nfs/dbraw/zinc/67/70/66/1063677066.db2.gz GHLFFOPATOYWEZ-VXKWHMMOSA-N 2 1 486.709 2.812 20 0 JFADMP CC[N@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833703 1063848659 /nfs/dbraw/zinc/84/86/59/1063848659.db2.gz BYTFNOGBGLZADV-WIOPSUGQSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1)C(C)C ZINC001295833703 1063848675 /nfs/dbraw/zinc/84/86/75/1063848675.db2.gz BYTFNOGBGLZADV-WIOPSUGQSA-N 2 1 481.689 2.973 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001295836595 1063853136 /nfs/dbraw/zinc/85/31/36/1063853136.db2.gz BLWJXKHHVLYYMI-QFIPXVFZSA-N 2 1 456.683 2.619 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccn2C)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001295836594 1063853300 /nfs/dbraw/zinc/85/33/00/1063853300.db2.gz BLWJXKHHVLYYMI-JOCHJYFZSA-N 2 1 456.683 2.619 20 0 JFADMP CC[N@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854133 1063882281 /nfs/dbraw/zinc/88/22/81/1063882281.db2.gz DECIEAYSINSAEE-FQEVSTJZSA-N 2 1 484.542 2.803 20 0 JFADMP CC[N@@H+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854133 1063882298 /nfs/dbraw/zinc/88/22/98/1063882298.db2.gz DECIEAYSINSAEE-FQEVSTJZSA-N 2 1 484.542 2.803 20 0 JFADMP CC[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854133 1063882310 /nfs/dbraw/zinc/88/23/10/1063882310.db2.gz DECIEAYSINSAEE-FQEVSTJZSA-N 2 1 484.542 2.803 20 0 JFADMP CC[NH+](CCn1c(Cc2ccc(F)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001295854133 1063882323 /nfs/dbraw/zinc/88/23/23/1063882323.db2.gz DECIEAYSINSAEE-FQEVSTJZSA-N 2 1 484.542 2.803 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+](CC)[C@H](C)C1)C(C)C ZINC001295856469 1063886848 /nfs/dbraw/zinc/88/68/48/1063886848.db2.gz MDRGRDIUUDPKQK-NHCUHLMSSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC001295856469 1063886869 /nfs/dbraw/zinc/88/68/69/1063886869.db2.gz MDRGRDIUUDPKQK-NHCUHLMSSA-N 2 1 493.697 2.847 20 0 JFADMP CC[NH+](CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+](CC)[C@H](C)C1)C(C)C ZINC001295856469 1063886889 /nfs/dbraw/zinc/88/68/89/1063886889.db2.gz MDRGRDIUUDPKQK-NHCUHLMSSA-N 2 1 493.697 2.847 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975793 1064020205 /nfs/dbraw/zinc/02/02/05/1064020205.db2.gz FDGZERBSORPMMC-UXHICEINSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975793 1064020213 /nfs/dbraw/zinc/02/02/13/1064020213.db2.gz FDGZERBSORPMMC-UXHICEINSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001295975793 1064020221 /nfs/dbraw/zinc/02/02/21/1064020221.db2.gz FDGZERBSORPMMC-UXHICEINSA-N 2 1 468.650 2.966 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975794 1064020341 /nfs/dbraw/zinc/02/03/41/1064020341.db2.gz FDGZERBSORPMMC-VQTJNVASSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975794 1064020349 /nfs/dbraw/zinc/02/03/49/1064020349.db2.gz FDGZERBSORPMMC-VQTJNVASSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975794 1064020358 /nfs/dbraw/zinc/02/03/58/1064020358.db2.gz FDGZERBSORPMMC-VQTJNVASSA-N 2 1 468.650 2.966 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001295979649 1064028116 /nfs/dbraw/zinc/02/81/16/1064028116.db2.gz WVJJYVQECSSSMA-QYZOEREBSA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC001295979649 1064028124 /nfs/dbraw/zinc/02/81/24/1064028124.db2.gz WVJJYVQECSSSMA-QYZOEREBSA-N 2 1 474.675 2.750 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC001295979649 1064028130 /nfs/dbraw/zinc/02/81/30/1064028130.db2.gz WVJJYVQECSSSMA-QYZOEREBSA-N 2 1 474.675 2.750 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1C[C@H](C)C[NH+]1CCCC1 ZINC001291471085 1064032916 /nfs/dbraw/zinc/03/29/16/1064032916.db2.gz YVLQUVHDBVEFBG-HOUBMWHVSA-N 2 1 473.710 2.902 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001295982510 1064035653 /nfs/dbraw/zinc/03/56/53/1064035653.db2.gz UGFFEHVDZNRGCF-YOEKFXIASA-N 2 1 450.672 2.968 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983172 1064038066 /nfs/dbraw/zinc/03/80/66/1064038066.db2.gz YOMJFHCIJOADGG-VJBWXMMDSA-N 2 1 496.704 2.546 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001295984095 1064040743 /nfs/dbraw/zinc/04/07/43/1064040743.db2.gz KXJUAFBWTIELQW-UFYCRDLUSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001295984095 1064040746 /nfs/dbraw/zinc/04/07/46/1064040746.db2.gz KXJUAFBWTIELQW-UFYCRDLUSA-N 2 1 472.634 2.602 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001295990102 1064044926 /nfs/dbraw/zinc/04/49/26/1064044926.db2.gz DVFVJCFEEYLBES-PMACEKPBSA-N 2 1 456.635 2.719 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001295990107 1064045029 /nfs/dbraw/zinc/04/50/29/1064045029.db2.gz DVFVJCFEEYLBES-VQTJNVASSA-N 2 1 456.635 2.719 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001295998065 1064054711 /nfs/dbraw/zinc/05/47/11/1064054711.db2.gz SQJXVIAMZJREJX-FUDKSRODSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001295998065 1064054720 /nfs/dbraw/zinc/05/47/20/1064054720.db2.gz SQJXVIAMZJREJX-FUDKSRODSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001295998065 1064054730 /nfs/dbraw/zinc/05/47/30/1064054730.db2.gz SQJXVIAMZJREJX-FUDKSRODSA-N 2 1 461.699 2.712 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296002968 1064057921 /nfs/dbraw/zinc/05/79/21/1064057921.db2.gz PDHORRDYOMNKLF-VQTJNVASSA-N 2 1 458.626 2.774 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001296010351 1064068111 /nfs/dbraw/zinc/06/81/11/1064068111.db2.gz BIOUQXKKSRWIGD-OALUTQOASA-N 2 1 462.639 2.964 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296010585 1064069087 /nfs/dbraw/zinc/06/90/87/1064069087.db2.gz QQTJSJNOVYULIP-QZTJIDSGSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296013860 1064074901 /nfs/dbraw/zinc/07/49/01/1064074901.db2.gz OUFKKQOBWFXDIH-QHAWAJNXSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001296013860 1064074913 /nfs/dbraw/zinc/07/49/13/1064074913.db2.gz OUFKKQOBWFXDIH-QHAWAJNXSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001296013860 1064074922 /nfs/dbraw/zinc/07/49/22/1064074922.db2.gz OUFKKQOBWFXDIH-QHAWAJNXSA-N 2 1 474.625 2.762 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001291579259 1064105515 /nfs/dbraw/zinc/10/55/15/1064105515.db2.gz IOQWPZWBLNALOI-BHDDXSALSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001291579259 1064105520 /nfs/dbraw/zinc/10/55/20/1064105520.db2.gz IOQWPZWBLNALOI-BHDDXSALSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@@H]1CCC[NH+](C(C)C)C1 ZINC001291579259 1064105538 /nfs/dbraw/zinc/10/55/38/1064105538.db2.gz IOQWPZWBLNALOI-BHDDXSALSA-N 2 1 459.683 2.655 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067343 1064132826 /nfs/dbraw/zinc/13/28/26/1064132826.db2.gz IIVOIJNOKTXMIU-WOJBJXKFSA-N 2 1 488.599 2.747 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291620249 1064158778 /nfs/dbraw/zinc/15/87/78/1064158778.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620249 1064158781 /nfs/dbraw/zinc/15/87/81/1064158781.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620249 1064158785 /nfs/dbraw/zinc/15/87/85/1064158785.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291620249 1064158788 /nfs/dbraw/zinc/15/87/88/1064158788.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291620249 1064158792 /nfs/dbraw/zinc/15/87/92/1064158792.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620249 1064158795 /nfs/dbraw/zinc/15/87/95/1064158795.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620249 1064158797 /nfs/dbraw/zinc/15/87/97/1064158797.db2.gz HXWCTLNHABTDGH-LEWJYISDSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620515 1064159388 /nfs/dbraw/zinc/15/93/88/1064159388.db2.gz JWCKOQONOFTNBH-MSYCTHLASA-N 2 1 450.697 2.918 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001291630160 1064174948 /nfs/dbraw/zinc/17/49/48/1064174948.db2.gz RPMGCXYKMQHORV-FCHUYYIVSA-N 3 1 454.667 2.929 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630160 1064174954 /nfs/dbraw/zinc/17/49/54/1064174954.db2.gz RPMGCXYKMQHORV-FCHUYYIVSA-N 2 1 454.667 2.929 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001291630160 1064174960 /nfs/dbraw/zinc/17/49/60/1064174960.db2.gz RPMGCXYKMQHORV-FCHUYYIVSA-N 2 1 454.667 2.929 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296131446 1064225761 /nfs/dbraw/zinc/22/57/61/1064225761.db2.gz KRMYWMGGAUBYHP-JOCHJYFZSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296131446 1064225772 /nfs/dbraw/zinc/22/57/72/1064225772.db2.gz KRMYWMGGAUBYHP-JOCHJYFZSA-N 2 1 471.669 2.955 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296131446 1064225782 /nfs/dbraw/zinc/22/57/82/1064225782.db2.gz KRMYWMGGAUBYHP-JOCHJYFZSA-N 2 1 471.669 2.955 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296132589 1064230675 /nfs/dbraw/zinc/23/06/75/1064230675.db2.gz BTEOZPHXMRLWLR-ZLNRFVROSA-N 2 1 499.704 2.811 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[NH+](CCOC)[C@H](C)C1 ZINC001291761983 1064242857 /nfs/dbraw/zinc/24/28/57/1064242857.db2.gz RHNNQKWQFOUFOF-QZTJIDSGSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@H+](CCOC)[C@H](C)C1 ZINC001291761983 1064242863 /nfs/dbraw/zinc/24/28/63/1064242863.db2.gz RHNNQKWQFOUFOF-QZTJIDSGSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001291761983 1064242869 /nfs/dbraw/zinc/24/28/69/1064242869.db2.gz RHNNQKWQFOUFOF-QZTJIDSGSA-N 2 1 496.498 2.933 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291763101 1064243792 /nfs/dbraw/zinc/24/37/92/1064243792.db2.gz VXIPUOILHFXKKP-NMMYMHLASA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291763101 1064243801 /nfs/dbraw/zinc/24/38/01/1064243801.db2.gz VXIPUOILHFXKKP-NMMYMHLASA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291763104 1064243869 /nfs/dbraw/zinc/24/38/69/1064243869.db2.gz VXIPUOILHFXKKP-SKPFHBQLSA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291763104 1064243878 /nfs/dbraw/zinc/24/38/78/1064243878.db2.gz VXIPUOILHFXKKP-SKPFHBQLSA-N 2 1 486.661 2.850 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001291766426 1064248141 /nfs/dbraw/zinc/24/81/41/1064248141.db2.gz CZVIVNYAYKQERY-HXUWFJFHSA-N 2 1 456.635 2.985 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142456 1064250139 /nfs/dbraw/zinc/25/01/39/1064250139.db2.gz LOFLTDQNKLUJPB-VSKRKVRLSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142456 1064250145 /nfs/dbraw/zinc/25/01/45/1064250145.db2.gz LOFLTDQNKLUJPB-VSKRKVRLSA-N 2 1 470.662 2.979 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001296142456 1064250153 /nfs/dbraw/zinc/25/01/53/1064250153.db2.gz LOFLTDQNKLUJPB-VSKRKVRLSA-N 2 1 470.662 2.979 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[NH+](C(C)C)C2)C[C@@H]1C ZINC001296145467 1064255851 /nfs/dbraw/zinc/25/58/51/1064255851.db2.gz YZRZQQZQLJVOEG-HWBMXIPRSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC001296145467 1064255855 /nfs/dbraw/zinc/25/58/55/1064255855.db2.gz YZRZQQZQLJVOEG-HWBMXIPRSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C[C@@H]1C ZINC001296145467 1064255864 /nfs/dbraw/zinc/25/58/64/1064255864.db2.gz YZRZQQZQLJVOEG-HWBMXIPRSA-N 2 1 462.683 2.970 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782476 1064271893 /nfs/dbraw/zinc/27/18/93/1064271893.db2.gz PGPILCHCQHTZMV-VWNXMTODSA-N 2 1 468.694 2.599 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001296160804 1064274927 /nfs/dbraw/zinc/27/49/27/1064274927.db2.gz PMHJJDXILVICBZ-HSALFYBXSA-N 2 1 463.671 2.873 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3OC)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001296162779 1064276222 /nfs/dbraw/zinc/27/62/22/1064276222.db2.gz PJUOYTLLVHQANI-OAQYLSRUSA-N 2 1 456.635 2.520 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277786 /nfs/dbraw/zinc/27/77/86/1064277786.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277792 /nfs/dbraw/zinc/27/77/92/1064277792.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296163246 1064277800 /nfs/dbraw/zinc/27/78/00/1064277800.db2.gz SMXZOQBFZPOBIA-RBBKRZOGSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001296164826 1064283336 /nfs/dbraw/zinc/28/33/36/1064283336.db2.gz DPNPSMFLIHIGIH-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC001296164826 1064283349 /nfs/dbraw/zinc/28/33/49/1064283349.db2.gz DPNPSMFLIHIGIH-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCC[N@H+]2CC)C[C@@H]1C ZINC001296164826 1064283361 /nfs/dbraw/zinc/28/33/61/1064283361.db2.gz DPNPSMFLIHIGIH-OALUTQOASA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296165856 1064286154 /nfs/dbraw/zinc/28/61/54/1064286154.db2.gz BHXYVAANFRTOPQ-UPVQGACJSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296165856 1064286162 /nfs/dbraw/zinc/28/61/62/1064286162.db2.gz BHXYVAANFRTOPQ-UPVQGACJSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001296166719 1064288603 /nfs/dbraw/zinc/28/86/03/1064288603.db2.gz OYZIHHZOXXBGFL-UXHICEINSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296167120 1064289789 /nfs/dbraw/zinc/28/97/89/1064289789.db2.gz QSHWTETUFLVXIV-RBUKOAKNSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296167120 1064289806 /nfs/dbraw/zinc/28/98/06/1064289806.db2.gz QSHWTETUFLVXIV-RBUKOAKNSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296167120 1064289822 /nfs/dbraw/zinc/28/98/22/1064289822.db2.gz QSHWTETUFLVXIV-RBUKOAKNSA-N 2 1 459.664 2.532 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296167116 1064289989 /nfs/dbraw/zinc/28/99/89/1064289989.db2.gz QSHWTETUFLVXIV-MOPGFXCFSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296167116 1064290000 /nfs/dbraw/zinc/29/00/00/1064290000.db2.gz QSHWTETUFLVXIV-MOPGFXCFSA-N 2 1 459.664 2.532 20 0 JFADMP CC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296167116 1064290009 /nfs/dbraw/zinc/29/00/09/1064290009.db2.gz QSHWTETUFLVXIV-MOPGFXCFSA-N 2 1 459.664 2.532 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296173924 1064299633 /nfs/dbraw/zinc/29/96/33/1064299633.db2.gz MUZKQWVHNPWQQP-NZQKXSOJSA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001296173924 1064299650 /nfs/dbraw/zinc/29/96/50/1064299650.db2.gz MUZKQWVHNPWQQP-NZQKXSOJSA-N 2 1 470.662 2.973 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296174203 1064300508 /nfs/dbraw/zinc/30/05/08/1064300508.db2.gz OJVLUBOLHPVXBZ-IFMALSPDSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296174203 1064300532 /nfs/dbraw/zinc/30/05/32/1064300532.db2.gz OJVLUBOLHPVXBZ-IFMALSPDSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001296174664 1064301943 /nfs/dbraw/zinc/30/19/43/1064301943.db2.gz RIENCBFGKASOHT-IBGZPJMESA-N 2 1 453.591 2.991 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001296174664 1064301966 /nfs/dbraw/zinc/30/19/66/1064301966.db2.gz RIENCBFGKASOHT-IBGZPJMESA-N 2 1 453.591 2.991 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174701 1064302618 /nfs/dbraw/zinc/30/26/18/1064302618.db2.gz RWRMNIDNWXYNEU-ISKFKSNPSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174701 1064302631 /nfs/dbraw/zinc/30/26/31/1064302631.db2.gz RWRMNIDNWXYNEU-ISKFKSNPSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(c2nnc(COc3ccc(C)cc3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001296174701 1064302646 /nfs/dbraw/zinc/30/26/46/1064302646.db2.gz RWRMNIDNWXYNEU-ISKFKSNPSA-N 2 1 497.688 2.639 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC001296194388 1064355518 /nfs/dbraw/zinc/35/55/18/1064355518.db2.gz SBPLRCJNNMUTHC-QHCPKHFHSA-N 2 1 489.753 2.689 20 0 JFADMP CCN1CC[NH+](CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001296195434 1064361905 /nfs/dbraw/zinc/36/19/05/1064361905.db2.gz KKULWBPORZROJU-QFIPXVFZSA-N 2 1 469.678 2.902 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296195434 1064361949 /nfs/dbraw/zinc/36/19/49/1064361949.db2.gz KKULWBPORZROJU-QFIPXVFZSA-N 2 1 469.678 2.902 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001296195434 1064361961 /nfs/dbraw/zinc/36/19/61/1064361961.db2.gz KKULWBPORZROJU-QFIPXVFZSA-N 2 1 469.678 2.902 20 0 JFADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296196241 1064365927 /nfs/dbraw/zinc/36/59/27/1064365927.db2.gz TUWBOHGDDCCTDC-JOCHJYFZSA-N 2 1 470.710 2.868 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296196241 1064365938 /nfs/dbraw/zinc/36/59/38/1064365938.db2.gz TUWBOHGDDCCTDC-JOCHJYFZSA-N 2 1 470.710 2.868 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296196241 1064365946 /nfs/dbraw/zinc/36/59/46/1064365946.db2.gz TUWBOHGDDCCTDC-JOCHJYFZSA-N 2 1 470.710 2.868 20 0 JFADMP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296206440 1064395403 /nfs/dbraw/zinc/39/54/03/1064395403.db2.gz QXDYDXNJRGNALO-VXKWHMMOSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296206440 1064395413 /nfs/dbraw/zinc/39/54/13/1064395413.db2.gz QXDYDXNJRGNALO-VXKWHMMOSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296206440 1064395425 /nfs/dbraw/zinc/39/54/25/1064395425.db2.gz QXDYDXNJRGNALO-VXKWHMMOSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296210023 1064400301 /nfs/dbraw/zinc/40/03/01/1064400301.db2.gz CMFRWSQVKPUEMF-UHFFFAOYSA-N 2 1 471.669 2.956 20 0 JFADMP CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296210023 1064400309 /nfs/dbraw/zinc/40/03/09/1064400309.db2.gz CMFRWSQVKPUEMF-UHFFFAOYSA-N 2 1 471.669 2.956 20 0 JFADMP CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296210023 1064400321 /nfs/dbraw/zinc/40/03/21/1064400321.db2.gz CMFRWSQVKPUEMF-UHFFFAOYSA-N 2 1 471.669 2.956 20 0 JFADMP CC[C@H](c1nnc(N2CC[NH+](CCOC)CC2)n1CC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC001291892726 1064520014 /nfs/dbraw/zinc/52/00/14/1064520014.db2.gz HHXMNIZSJVLPLR-QHCPKHFHSA-N 2 1 470.662 2.699 20 0 JFADMP CCC(CC)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967942 1064583774 /nfs/dbraw/zinc/58/37/74/1064583774.db2.gz NSIOWXAWWBGTFZ-WPYKKVEZSA-N 2 1 462.683 2.838 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291975467 1064590112 /nfs/dbraw/zinc/59/01/12/1064590112.db2.gz UGYTXLQXYLUPIE-OZXSUGGESA-N 2 1 486.709 2.807 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291975466 1064590225 /nfs/dbraw/zinc/59/02/25/1064590225.db2.gz UGYTXLQXYLUPIE-JYFHCDHNSA-N 2 1 486.709 2.807 20 0 JFADMP CCC(CC)[C@H](Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1)[NH+](C)C ZINC001291975768 1064591257 /nfs/dbraw/zinc/59/12/57/1064591257.db2.gz YRIJVXGMKYMKDW-YGOYIFOWSA-N 2 1 473.710 2.586 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001292615661 1065348470 /nfs/dbraw/zinc/34/84/70/1065348470.db2.gz QFAUQYVHCIVOOM-HXUWFJFHSA-N 2 1 458.676 2.999 20 0 JFADMP CCc1nnc(N2C[C@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893144 1065592470 /nfs/dbraw/zinc/59/24/70/1065592470.db2.gz LHSSXWWGVIHIAJ-WIOPSUGQSA-N 2 1 487.737 2.978 20 0 JFADMP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001293068058 1065719539 /nfs/dbraw/zinc/71/95/39/1065719539.db2.gz AJRXXZOFCGWDGL-OAQYLSRUSA-N 2 1 471.650 2.651 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](c1ccco1)[NH+](CC)CC ZINC001293068058 1065719553 /nfs/dbraw/zinc/71/95/53/1065719553.db2.gz AJRXXZOFCGWDGL-OAQYLSRUSA-N 2 1 471.650 2.651 20 0 JFADMP CCc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CC[N@H+](CC)CCC(F)(F)F ZINC001293073631 1065726190 /nfs/dbraw/zinc/72/61/90/1065726190.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 2 1 456.561 2.561 20 0 JFADMP CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC[NH+](CC)CCC(F)(F)F ZINC001293073631 1065726203 /nfs/dbraw/zinc/72/62/03/1065726203.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 2 1 456.561 2.561 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC[NH+](CC)CCC(F)(F)F ZINC001293073631 1065726217 /nfs/dbraw/zinc/72/62/17/1065726217.db2.gz WYJPZUXNAVXMKE-UHFFFAOYSA-N 2 1 456.561 2.561 20 0 JFADMP CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@H](c1cccc(OC)c1)[NH+](C)C ZINC001293116081 1065762638 /nfs/dbraw/zinc/76/26/38/1065762638.db2.gz JCYYEGZWFXTBKC-WMZHIEFXSA-N 2 1 456.635 2.842 20 0 JFADMP CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001293359142 1065963396 /nfs/dbraw/zinc/96/33/96/1065963396.db2.gz LNVKOLYTCINGRA-DNQXCXABSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001293359142 1065963407 /nfs/dbraw/zinc/96/34/07/1065963407.db2.gz LNVKOLYTCINGRA-DNQXCXABSA-N 2 1 497.688 2.536 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371480 1065974531 /nfs/dbraw/zinc/97/45/31/1065974531.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001293371480 1065974540 /nfs/dbraw/zinc/97/45/40/1065974540.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001293371480 1065974554 /nfs/dbraw/zinc/97/45/54/1065974554.db2.gz MKGJRKHCJQAASZ-RTWAWAEBSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371476 1065974659 /nfs/dbraw/zinc/97/46/59/1065974659.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001293371476 1065974668 /nfs/dbraw/zinc/97/46/68/1065974668.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@@H]1CCCC[NH+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001293371476 1065974678 /nfs/dbraw/zinc/97/46/78/1065974678.db2.gz MKGJRKHCJQAASZ-LEWJYISDSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001293371482 1065974728 /nfs/dbraw/zinc/97/47/28/1065974728.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001293371482 1065974742 /nfs/dbraw/zinc/97/47/42/1065974742.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@H]1CCCC[NH+]1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001293371482 1065974745 /nfs/dbraw/zinc/97/47/45/1065974745.db2.gz MKGJRKHCJQAASZ-SFTDATJTSA-N 2 1 480.723 2.755 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293538856 1066056222 /nfs/dbraw/zinc/05/62/22/1066056222.db2.gz HNYBESREGASMJF-UGKGYDQZSA-N 2 1 477.053 2.724 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[NH+]2CC)CC[N@H+]1CCOC ZINC001293538955 1066056845 /nfs/dbraw/zinc/05/68/45/1066056845.db2.gz HLGMUFDOJWHDFD-VXKWHMMOSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC[NH+]1CCOC ZINC001293538955 1066056858 /nfs/dbraw/zinc/05/68/58/1066056858.db2.gz HLGMUFDOJWHDFD-VXKWHMMOSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCC[N@H+]2CC)CC[NH+]1CCOC ZINC001293538955 1066056867 /nfs/dbraw/zinc/05/68/67/1066056867.db2.gz HLGMUFDOJWHDFD-VXKWHMMOSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293556939 1066071040 /nfs/dbraw/zinc/07/10/40/1066071040.db2.gz KQWOOQZSVFGFPJ-BWKNWUBXSA-N 2 1 488.702 2.938 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cnccn3)n2CCC[NH+](C(C)C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293580682 1066090097 /nfs/dbraw/zinc/09/00/97/1066090097.db2.gz ZDGZUKLVLXJBRW-GMAHTHKFSA-N 2 1 470.666 2.791 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[N@H+]1CCOC ZINC001293592703 1066098304 /nfs/dbraw/zinc/09/83/04/1066098304.db2.gz CVWYRDJZDHJFHG-WWNPGLIZSA-N 2 1 474.625 2.771 20 0 JFADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293601200 1066118016 /nfs/dbraw/zinc/11/80/16/1066118016.db2.gz UPHCDGCFARUGMG-SFTDATJTSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293606045 1066121353 /nfs/dbraw/zinc/12/13/53/1066121353.db2.gz FHJOQJUBXHFEFO-ACESQOTJSA-N 2 1 462.683 2.523 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293606045 1066121357 /nfs/dbraw/zinc/12/13/57/1066121357.db2.gz FHJOQJUBXHFEFO-ACESQOTJSA-N 2 1 462.683 2.523 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293609097 1066124177 /nfs/dbraw/zinc/12/41/77/1066124177.db2.gz PSQLPSAFVADYIA-JBYIUTFZSA-N 2 1 462.589 2.644 20 0 JFADMP CC[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293612275 1066128081 /nfs/dbraw/zinc/12/80/81/1066128081.db2.gz LOGWSKSKJUTYRR-GIWBLDEGSA-N 2 1 455.651 2.541 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293612276 1066128140 /nfs/dbraw/zinc/12/81/40/1066128140.db2.gz LOGWSKSKJUTYRR-MQSCRBSSSA-N 2 1 455.651 2.541 20 0 JFADMP CC[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293624119 1066140149 /nfs/dbraw/zinc/14/01/49/1066140149.db2.gz VCNHIZYLQKGIDR-URXFXBBRSA-N 2 1 464.724 2.995 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001293635126 1066150183 /nfs/dbraw/zinc/15/01/83/1066150183.db2.gz LFXPMQUTYLNNSI-BJKOFHAPSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635126 1066150189 /nfs/dbraw/zinc/15/01/89/1066150189.db2.gz LFXPMQUTYLNNSI-BJKOFHAPSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635126 1066150193 /nfs/dbraw/zinc/15/01/93/1066150193.db2.gz LFXPMQUTYLNNSI-BJKOFHAPSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293637390 1066155198 /nfs/dbraw/zinc/15/51/98/1066155198.db2.gz FPWQQESQMCYSFY-XPNTWCBSSA-N 2 1 456.635 2.663 20 0 JFADMP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001294081759 1066549971 /nfs/dbraw/zinc/54/99/71/1066549971.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 1 475.726 2.899 20 0 JFADMP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081759 1066549977 /nfs/dbraw/zinc/54/99/77/1066549977.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 1 475.726 2.899 20 0 JFADMP CCC[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC[NH+]1CCOC ZINC001294081759 1066549993 /nfs/dbraw/zinc/54/99/93/1066549993.db2.gz OQJPPRJMNJQLQX-QHCPKHFHSA-N 2 1 475.726 2.899 20 0 JFADMP CC(C)(C)C(=O)Nc1ccnc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)c1C[N@H+]1CC[C@H](CO)C1 ZINC001164423053 718943909 /nfs/dbraw/zinc/94/39/09/718943909.db2.gz DAPFWTLWYYVKMW-XZOYJPPVSA-N 2 1 463.626 2.956 20 0 JFADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164433720 718968824 /nfs/dbraw/zinc/96/88/24/718968824.db2.gz MYWPBGCUEXXIHO-PKTZIBPZSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164433720 718968836 /nfs/dbraw/zinc/96/88/36/718968836.db2.gz MYWPBGCUEXXIHO-PKTZIBPZSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613956 719017265 /nfs/dbraw/zinc/01/72/65/719017265.db2.gz ARGVEQGFNCULOT-NJAFHUGGSA-N 2 1 455.628 2.896 20 0 JFADMP COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682479 719631486 /nfs/dbraw/zinc/63/14/86/719631486.db2.gz NHRXUSBDDVCGCL-LUAWRHEFSA-N 2 1 468.602 2.924 20 0 JFADMP COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682479 719631492 /nfs/dbraw/zinc/63/14/92/719631492.db2.gz NHRXUSBDDVCGCL-LUAWRHEFSA-N 2 1 468.602 2.924 20 0 JFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)c2c1CC[NH2+]C2 ZINC001164679459 719644515 /nfs/dbraw/zinc/64/45/15/719644515.db2.gz BDBFWUHMMYJSMD-UHFFFAOYSA-N 2 1 476.553 2.832 20 0 JFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn2)c2c1CC[NH2+]C2 ZINC001164679459 719644520 /nfs/dbraw/zinc/64/45/20/719644520.db2.gz BDBFWUHMMYJSMD-UHFFFAOYSA-N 2 1 476.553 2.832 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746695 720806799 /nfs/dbraw/zinc/80/67/99/720806799.db2.gz MPPOWKQIDBZODK-ZWKOTPCHSA-N 2 1 462.932 2.789 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746695 720806801 /nfs/dbraw/zinc/80/68/01/720806801.db2.gz MPPOWKQIDBZODK-ZWKOTPCHSA-N 2 1 462.932 2.789 20 0 JFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748178 720855986 /nfs/dbraw/zinc/85/59/86/720855986.db2.gz KWFPSXUYQURKGC-YZUZCNPQSA-N 2 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748178 720855988 /nfs/dbraw/zinc/85/59/88/720855988.db2.gz KWFPSXUYQURKGC-YZUZCNPQSA-N 3 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748178 720855991 /nfs/dbraw/zinc/85/59/91/720855991.db2.gz KWFPSXUYQURKGC-YZUZCNPQSA-N 3 1 451.619 2.526 20 0 JFADMP Clc1nc2c(c(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n1)C[NH2+]CC2 ZINC001164750052 720869695 /nfs/dbraw/zinc/86/96/95/720869695.db2.gz INQTVEAZCNLTFB-NBGIEHNGSA-N 2 1 469.033 2.926 20 0 JFADMP Clc1nc2c(c(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n1)CC[NH2+]C2 ZINC001164748543 720877403 /nfs/dbraw/zinc/87/74/03/720877403.db2.gz FVGSFQRPCMLSQT-NLFFAJNJSA-N 2 1 469.033 2.926 20 0 JFADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747857 720914133 /nfs/dbraw/zinc/91/41/33/720914133.db2.gz DPFXXTBUBWDUGY-KCWPFWIISA-N 2 1 478.641 2.758 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286869917 1061264271 /nfs/dbraw/zinc/26/42/71/1061264271.db2.gz GQKXPWKBXIUUTK-QNWVGRARSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286869917 1061264288 /nfs/dbraw/zinc/26/42/88/1061264288.db2.gz GQKXPWKBXIUUTK-QNWVGRARSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@H](C)C3)C[C@@H]2C)CC1 ZINC001286869917 1061264311 /nfs/dbraw/zinc/26/43/11/1061264311.db2.gz GQKXPWKBXIUUTK-QNWVGRARSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@@H]2C)CC1 ZINC001286870303 1061265367 /nfs/dbraw/zinc/26/53/67/1061265367.db2.gz IPMUTQYBLQHSKQ-WIOPSUGQSA-N 2 1 496.704 2.838 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@H]2C)CC1 ZINC001286871174 1061270499 /nfs/dbraw/zinc/27/04/99/1061270499.db2.gz MQDMVGAKDHAEKA-AKIFATBCSA-N 2 1 475.726 2.931 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871407 1061270942 /nfs/dbraw/zinc/27/09/42/1061270942.db2.gz NUZQKMZQVBQWRH-UPVQGACJSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871407 1061270963 /nfs/dbraw/zinc/27/09/63/1061270963.db2.gz NUZQKMZQVBQWRH-UPVQGACJSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871407 1061270985 /nfs/dbraw/zinc/27/09/85/1061270985.db2.gz NUZQKMZQVBQWRH-UPVQGACJSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3C[C@@H](c3ccc(C)cc3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286872940 1061282856 /nfs/dbraw/zinc/28/28/56/1061282856.db2.gz ZBEQSCABLBBEDM-AMDXRBSFSA-N 2 1 467.662 2.577 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C)CC1 ZINC001286887466 1061336586 /nfs/dbraw/zinc/33/65/86/1061336586.db2.gz RNTWRFMIRYQLQG-ACIOBRDBSA-N 2 1 459.683 2.511 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289727682 1061336835 /nfs/dbraw/zinc/33/68/35/1061336835.db2.gz RROIHQMOYWJYIE-HXUWFJFHSA-N 2 1 471.650 2.644 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289727682 1061336852 /nfs/dbraw/zinc/33/68/52/1061336852.db2.gz RROIHQMOYWJYIE-HXUWFJFHSA-N 2 1 471.650 2.644 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)n1 ZINC001289950538 1061643632 /nfs/dbraw/zinc/64/36/32/1061643632.db2.gz GYPUZUYUODCYPC-VXKWHMMOSA-N 2 1 455.651 2.783 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226272 1061738943 /nfs/dbraw/zinc/73/89/43/1061738943.db2.gz RNNJPIOOIDLVKY-PKTZIBPZSA-N 2 1 494.750 2.860 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3sccc3C2)C1 ZINC001294453550 1061997628 /nfs/dbraw/zinc/99/76/28/1061997628.db2.gz ABXAHWWVSIWHRX-LJQANCHMSA-N 2 1 473.691 2.704 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3sccc3C2)C1 ZINC001294453550 1061997652 /nfs/dbraw/zinc/99/76/52/1061997652.db2.gz ABXAHWWVSIWHRX-LJQANCHMSA-N 2 1 473.691 2.704 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001294453550 1061997674 /nfs/dbraw/zinc/99/76/74/1061997674.db2.gz ABXAHWWVSIWHRX-LJQANCHMSA-N 2 1 473.691 2.704 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001294453550 1061997693 /nfs/dbraw/zinc/99/76/93/1061997693.db2.gz ABXAHWWVSIWHRX-LJQANCHMSA-N 2 1 473.691 2.704 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001294455428 1062002622 /nfs/dbraw/zinc/00/26/22/1062002622.db2.gz DMTMHIGIIQURCM-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001294455428 1062002645 /nfs/dbraw/zinc/00/26/45/1062002645.db2.gz DMTMHIGIIQURCM-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C1 ZINC001294456767 1062003698 /nfs/dbraw/zinc/00/36/98/1062003698.db2.gz JROBJMCMBGUZDU-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[NH+]2CCOC[C@@H]2C)C1 ZINC001294456767 1062003719 /nfs/dbraw/zinc/00/37/19/1062003719.db2.gz JROBJMCMBGUZDU-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001294456767 1062003743 /nfs/dbraw/zinc/00/37/43/1062003743.db2.gz JROBJMCMBGUZDU-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001294456767 1062003767 /nfs/dbraw/zinc/00/37/67/1062003767.db2.gz JROBJMCMBGUZDU-ZWKOTPCHSA-N 2 1 494.482 2.925 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463035 1062012821 /nfs/dbraw/zinc/01/28/21/1062012821.db2.gz NSGFSICFUWTCME-GGAORHGYSA-N 2 1 455.651 2.865 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC001294463036 1062013288 /nfs/dbraw/zinc/01/32/88/1062013288.db2.gz NSGFSICFUWTCME-GMAHTHKFSA-N 2 1 455.651 2.865 20 0 JFADMP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294465145 1062015140 /nfs/dbraw/zinc/01/51/40/1062015140.db2.gz ZZTYTKLBKCLDHA-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294465145 1062015166 /nfs/dbraw/zinc/01/51/66/1062015166.db2.gz ZZTYTKLBKCLDHA-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294465145 1062015188 /nfs/dbraw/zinc/01/51/88/1062015188.db2.gz ZZTYTKLBKCLDHA-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294465145 1062015211 /nfs/dbraw/zinc/01/52/11/1062015211.db2.gz ZZTYTKLBKCLDHA-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001294467544 1062016331 /nfs/dbraw/zinc/01/63/31/1062016331.db2.gz GUSUQKFCJMXGFB-LEWJYISDSA-N 2 1 469.682 2.570 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[N@H+]2CC=CCC2)cs1 ZINC001290388810 1062092863 /nfs/dbraw/zinc/09/28/63/1062092863.db2.gz YPMRRJLUCUJUPE-UHFFFAOYSA-N 2 1 473.691 2.690 20 0 JFADMP Cc1nc(Cc2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CC[N@@H+]2CC=CCC2)cs1 ZINC001290388810 1062092881 /nfs/dbraw/zinc/09/28/81/1062092881.db2.gz YPMRRJLUCUJUPE-UHFFFAOYSA-N 2 1 473.691 2.690 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC[N@@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cs1 ZINC001290428127 1062179490 /nfs/dbraw/zinc/17/94/90/1062179490.db2.gz DWCHMSOPJGCABC-IBGZPJMESA-N 2 1 461.680 2.523 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@@H](C)C[NH+]2CCOCC2)cs1 ZINC001290428127 1062179539 /nfs/dbraw/zinc/17/95/39/1062179539.db2.gz DWCHMSOPJGCABC-IBGZPJMESA-N 2 1 461.680 2.523 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)cs1 ZINC001290433564 1062199370 /nfs/dbraw/zinc/19/93/70/1062199370.db2.gz XCOFXZKZKUKPTJ-HXUWFJFHSA-N 2 1 461.680 2.523 20 0 JFADMP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001294659758 1062208332 /nfs/dbraw/zinc/20/83/32/1062208332.db2.gz XSWQYWGAZBLPEE-ZJSXRUAMSA-N 2 1 487.737 2.978 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001294677381 1062238478 /nfs/dbraw/zinc/23/84/78/1062238478.db2.gz LJKMGHKPBULARV-FQEVSTJZSA-N 2 1 486.661 2.994 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001294677385 1062238514 /nfs/dbraw/zinc/23/85/14/1062238514.db2.gz LJKMGHKPBULARV-HXUWFJFHSA-N 2 1 486.661 2.994 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001294682895 1062241267 /nfs/dbraw/zinc/24/12/67/1062241267.db2.gz KDHODSWMULYJDR-HXUWFJFHSA-N 2 1 480.723 2.755 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001294694978 1062256250 /nfs/dbraw/zinc/25/62/50/1062256250.db2.gz XHRCRRUTUZWMPC-VXKWHMMOSA-N 2 1 459.683 2.947 20 0 JFADMP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294699888 1062264926 /nfs/dbraw/zinc/26/49/26/1062264926.db2.gz UIORHDONPJVHSM-QHCPKHFHSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC001294699888 1062264948 /nfs/dbraw/zinc/26/49/48/1062264948.db2.gz UIORHDONPJVHSM-QHCPKHFHSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001294699888 1062264966 /nfs/dbraw/zinc/26/49/66/1062264966.db2.gz UIORHDONPJVHSM-QHCPKHFHSA-N 2 1 498.720 2.929 20 0 JFADMP CCC[NH+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001294699888 1062264984 /nfs/dbraw/zinc/26/49/84/1062264984.db2.gz UIORHDONPJVHSM-QHCPKHFHSA-N 2 1 498.720 2.929 20 0 JFADMP CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+]1CCOCC1 ZINC001287087381 1062267253 /nfs/dbraw/zinc/26/72/53/1062267253.db2.gz AVUHJOVUSBKRJF-NHCUHLMSSA-N 2 1 462.683 2.840 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294708070 1062273691 /nfs/dbraw/zinc/27/36/91/1062273691.db2.gz QPSDTGRRIPTDES-DHIUTWEWSA-N 2 1 489.709 2.775 20 0 JFADMP Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001290511375 1062311018 /nfs/dbraw/zinc/31/10/18/1062311018.db2.gz SGCQRTZCQBVGLM-UHFFFAOYSA-N 2 1 482.608 2.863 20 0 JFADMP Cc1[nH+]ccn1CCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001290511375 1062311030 /nfs/dbraw/zinc/31/10/30/1062311030.db2.gz SGCQRTZCQBVGLM-UHFFFAOYSA-N 2 1 482.608 2.863 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@@H+](C)C(C)C)CC1 ZINC001290562174 1062363301 /nfs/dbraw/zinc/36/33/01/1062363301.db2.gz CTFMVNWMLNYJFR-QHCPKHFHSA-N 2 1 472.682 2.923 20 0 JFADMP Cc1nn(C)c(C)c1C[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001290562174 1062363326 /nfs/dbraw/zinc/36/33/26/1062363326.db2.gz CTFMVNWMLNYJFR-QHCPKHFHSA-N 2 1 472.682 2.923 20 0 JFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](O)COc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001294783061 1062389552 /nfs/dbraw/zinc/38/95/52/1062389552.db2.gz RJEVTYTVGHDOGV-FQEVSTJZSA-N 2 1 457.537 2.758 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2C[C@H](C)[NH+](C)C)n1 ZINC001290639117 1062523111 /nfs/dbraw/zinc/52/31/11/1062523111.db2.gz HGYKHRREOJNKFD-QFIPXVFZSA-N 2 1 450.635 2.802 20 0 JFADMP CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001287200568 1062638293 /nfs/dbraw/zinc/63/82/93/1062638293.db2.gz FVAXRYFQIFSFJT-QFIPXVFZSA-N 2 1 459.683 2.799 20 0 JFADMP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001287213846 1062674033 /nfs/dbraw/zinc/67/40/33/1062674033.db2.gz FWSGCICQDSUMHS-PMACEKPBSA-N 2 1 459.664 2.509 20 0 JFADMP CC(C)c1nnc(N2CC[NH+](CCOc3ccccc3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001287225203 1062713901 /nfs/dbraw/zinc/71/39/01/1062713901.db2.gz XATLHXYOIDQHKI-UHFFFAOYSA-N 2 1 470.662 2.838 20 0 JFADMP CN1CC[N@@H+](CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716126 /nfs/dbraw/zinc/71/61/26/1062716126.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716147 /nfs/dbraw/zinc/71/61/47/1062716147.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716168 /nfs/dbraw/zinc/71/61/68/1062716168.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP C[N@@H+]1CCN(CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716190 /nfs/dbraw/zinc/71/61/90/1062716190.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP C[N@H+]1CCN(CCCNC(=O)[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716212 /nfs/dbraw/zinc/71/62/12/1062716212.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716230 /nfs/dbraw/zinc/71/62/30/1062716230.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820494 1062716250 /nfs/dbraw/zinc/71/62/50/1062716250.db2.gz MICXTSPPSSYMSP-XNMGPUDCSA-N 2 1 450.627 2.509 20 0 JFADMP CC(C)C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329178 1062804953 /nfs/dbraw/zinc/80/49/53/1062804953.db2.gz RTRJEACWAUDNSP-LOSJGSFVSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1)[NH+](C)C ZINC001287340661 1062818114 /nfs/dbraw/zinc/81/81/14/1062818114.db2.gz HEVOKBJLYAHYCA-FCHUYYIVSA-N 2 1 458.655 2.552 20 0 JFADMP CC(C)Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386404 1062837137 /nfs/dbraw/zinc/83/71/37/1062837137.db2.gz XQTXVTWRJPUNKT-GGAORHGYSA-N 2 1 470.662 2.622 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[NH+](CC)C[C@H]2C)c1 ZINC001295126307 1062940762 /nfs/dbraw/zinc/94/07/62/1062940762.db2.gz DVLXDTGATVOPRL-NHCUHLMSSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)c1 ZINC001295126307 1062940774 /nfs/dbraw/zinc/94/07/74/1062940774.db2.gz DVLXDTGATVOPRL-NHCUHLMSSA-N 2 1 467.662 2.933 20 0 JFADMP CC[NH+](C)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC001295126307 1062940798 /nfs/dbraw/zinc/94/07/98/1062940798.db2.gz DVLXDTGATVOPRL-NHCUHLMSSA-N 2 1 467.662 2.933 20 0 JFADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@H](C)O1 ZINC001295145456 1062965561 /nfs/dbraw/zinc/96/55/61/1062965561.db2.gz DHUVGZGIUBCHLP-WSAILGMDSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@H](C)O1 ZINC001295145456 1062965584 /nfs/dbraw/zinc/96/55/84/1062965584.db2.gz DHUVGZGIUBCHLP-WSAILGMDSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@H](C)O1 ZINC001295145456 1062965611 /nfs/dbraw/zinc/96/56/11/1062965611.db2.gz DHUVGZGIUBCHLP-WSAILGMDSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)cc2)C[C@H](C)O1 ZINC001295145456 1062965636 /nfs/dbraw/zinc/96/56/36/1062965636.db2.gz DHUVGZGIUBCHLP-WSAILGMDSA-N 2 1 451.611 2.909 20 0 JFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+](C)C)C1 ZINC001291096705 1063058442 /nfs/dbraw/zinc/05/84/42/1063058442.db2.gz JFJLBBGFRZBZJI-NJDAHSKKSA-N 2 1 459.683 2.908 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001287748652 1063072519 /nfs/dbraw/zinc/07/25/19/1063072519.db2.gz AVUGXRKIGSBSDP-BVAGGSTKSA-N 2 1 492.709 2.598 20 0 JFADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105357 1063086823 /nfs/dbraw/zinc/08/68/23/1063086823.db2.gz IBEJNAOROMYOJE-NHCUHLMSSA-N 2 1 472.682 2.594 20 0 JFADMP C[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105357 1063086836 /nfs/dbraw/zinc/08/68/36/1063086836.db2.gz IBEJNAOROMYOJE-NHCUHLMSSA-N 2 1 472.682 2.594 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106645 1063093434 /nfs/dbraw/zinc/09/34/34/1063093434.db2.gz YQVADIWGVGVZKJ-URVUXULASA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106645 1063093454 /nfs/dbraw/zinc/09/34/54/1063093454.db2.gz YQVADIWGVGVZKJ-URVUXULASA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106645 1063093476 /nfs/dbraw/zinc/09/34/76/1063093476.db2.gz YQVADIWGVGVZKJ-URVUXULASA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC001287770460 1063097697 /nfs/dbraw/zinc/09/76/97/1063097697.db2.gz UIOARFBUDUYXSZ-RBBKRZOGSA-N 2 1 453.635 2.528 20 0 JFADMP C[C@@H]1CCC[N@@H+]1CCn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140202 1063207248 /nfs/dbraw/zinc/20/72/48/1063207248.db2.gz SOTQXHPKYBBJEF-FGZHOGPDSA-N 2 1 470.662 2.622 20 0 JFADMP C[C@@H]1CCC[N@H+]1CCn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140202 1063207269 /nfs/dbraw/zinc/20/72/69/1063207269.db2.gz SOTQXHPKYBBJEF-FGZHOGPDSA-N 2 1 470.662 2.622 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295327047 1063219837 /nfs/dbraw/zinc/21/98/37/1063219837.db2.gz LVWJBXDRUZMHRO-JOCHJYFZSA-N 2 1 494.644 2.617 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)[NH+](C)C)CC1 ZINC001295327047 1063219848 /nfs/dbraw/zinc/21/98/48/1063219848.db2.gz LVWJBXDRUZMHRO-JOCHJYFZSA-N 2 1 494.644 2.617 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCC[NH+]2CC)CC1 ZINC001295335090 1063249172 /nfs/dbraw/zinc/24/91/72/1063249172.db2.gz YLJAYGNKTUJWMZ-XMMPIXPASA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCC[NH+]2CC)CC1 ZINC001295335090 1063249190 /nfs/dbraw/zinc/24/91/90/1063249190.db2.gz YLJAYGNKTUJWMZ-XMMPIXPASA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295335090 1063249206 /nfs/dbraw/zinc/24/92/06/1063249206.db2.gz YLJAYGNKTUJWMZ-XMMPIXPASA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295335090 1063249225 /nfs/dbraw/zinc/24/92/25/1063249225.db2.gz YLJAYGNKTUJWMZ-XMMPIXPASA-N 2 1 496.704 2.519 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001291180065 1063270972 /nfs/dbraw/zinc/27/09/72/1063270972.db2.gz SZKVCHFEENFBLX-DHIUTWEWSA-N 2 1 494.750 2.859 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001295364080 1063325510 /nfs/dbraw/zinc/32/55/10/1063325510.db2.gz DRXLYYIMTVFAKT-NHCUHLMSSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001295376954 1063346267 /nfs/dbraw/zinc/34/62/67/1063346267.db2.gz QWMHLXPKLLURCK-LADGPHEKSA-N 2 1 475.726 2.897 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001295390302 1063369420 /nfs/dbraw/zinc/36/94/20/1063369420.db2.gz NICRYVIDMPGTLD-AOJNWGRGSA-N 2 1 492.709 2.739 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295482686 1063504355 /nfs/dbraw/zinc/50/43/55/1063504355.db2.gz XQTYUZNZQYWRSK-JOCHJYFZSA-N 2 1 481.689 2.976 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001295482674 1063504392 /nfs/dbraw/zinc/50/43/92/1063504392.db2.gz XFBZIWRWRUFRAR-UHFFFAOYSA-N 2 1 484.693 2.539 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295490623 1063517204 /nfs/dbraw/zinc/51/72/04/1063517204.db2.gz BKBOTNJZVUCOPO-JOCHJYFZSA-N 2 1 487.718 2.795 20 0 JFADMP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)c1 ZINC001295494096 1063528335 /nfs/dbraw/zinc/52/83/35/1063528335.db2.gz YRKSZLIFQQJHAG-LVXARBLLSA-N 2 1 481.689 2.856 20 0 JFADMP CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291261383 1063556754 /nfs/dbraw/zinc/55/67/54/1063556754.db2.gz AKGAYVWEQSWQLU-REWPJTCUSA-N 2 1 458.626 2.895 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC001291261383 1063556768 /nfs/dbraw/zinc/55/67/68/1063556768.db2.gz AKGAYVWEQSWQLU-REWPJTCUSA-N 2 1 458.626 2.895 20 0 JFADMP C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001291275091 1063581869 /nfs/dbraw/zinc/58/18/69/1063581869.db2.gz MMXRFBJLXDWEPX-GGAORHGYSA-N 2 1 470.662 2.644 20 0 JFADMP C[C@H]1C[N@@H+](CCCn2c(CC(C)(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)CCCO1 ZINC001291292681 1063677540 /nfs/dbraw/zinc/67/75/40/1063677540.db2.gz IAJFFXBBLJXDCH-FCHUYYIVSA-N 2 1 462.683 2.526 20 0 JFADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[NH+]1CCCO[C@H](C)C1 ZINC001291295125 1063693176 /nfs/dbraw/zinc/69/31/76/1063693176.db2.gz VDKQKFSFLGSILQ-NHCUHLMSSA-N 2 1 462.683 2.766 20 0 JFADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001291295125 1063693196 /nfs/dbraw/zinc/69/31/96/1063693196.db2.gz VDKQKFSFLGSILQ-NHCUHLMSSA-N 2 1 462.683 2.766 20 0 JFADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001291295125 1063693214 /nfs/dbraw/zinc/69/32/14/1063693214.db2.gz VDKQKFSFLGSILQ-NHCUHLMSSA-N 2 1 462.683 2.766 20 0 JFADMP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844216 1063863368 /nfs/dbraw/zinc/86/33/68/1063863368.db2.gz AJUUMSGJUJPJEN-SFHVURJKSA-N 2 1 499.607 2.887 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844216 1063863376 /nfs/dbraw/zinc/86/33/76/1063863376.db2.gz AJUUMSGJUJPJEN-SFHVURJKSA-N 2 1 499.607 2.887 20 0 JFADMP CC[N@@H+](CCn1c(C2CC2)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846341 1063868186 /nfs/dbraw/zinc/86/81/86/1063868186.db2.gz RPGLCDKIUUWFBI-GHTZIAJQSA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846341 1063868194 /nfs/dbraw/zinc/86/81/94/1063868194.db2.gz RPGLCDKIUUWFBI-GHTZIAJQSA-N 2 1 499.626 2.809 20 0 JFADMP CC[NH+](CCn1c(C2CC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)CCC(F)(F)F ZINC001295846341 1063868201 /nfs/dbraw/zinc/86/82/01/1063868201.db2.gz RPGLCDKIUUWFBI-GHTZIAJQSA-N 2 1 499.626 2.809 20 0 JFADMP CC[N@@H+](CCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](C(C)C)CC1)CCC(F)(F)F ZINC001295847035 1063869973 /nfs/dbraw/zinc/86/99/73/1063869973.db2.gz XZISUWCPRURPLO-UHFFFAOYSA-N 2 1 485.555 2.811 20 0 JFADMP CC[N@@H+](CCn1c(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868220 1063904518 /nfs/dbraw/zinc/90/45/18/1063904518.db2.gz GLLKTUPVAKSNEW-GOSISDBHSA-N 2 1 487.615 2.593 20 0 JFADMP CC[NH+](CCn1c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868220 1063904529 /nfs/dbraw/zinc/90/45/29/1063904529.db2.gz GLLKTUPVAKSNEW-GOSISDBHSA-N 2 1 487.615 2.593 20 0 JFADMP CC[NH+](CCn1c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nnc1C(C)(C)C)CCC(F)(F)F ZINC001295868220 1063904546 /nfs/dbraw/zinc/90/45/46/1063904546.db2.gz GLLKTUPVAKSNEW-GOSISDBHSA-N 2 1 487.615 2.593 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975792 1064020133 /nfs/dbraw/zinc/02/01/33/1064020133.db2.gz FDGZERBSORPMMC-PMACEKPBSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975792 1064020138 /nfs/dbraw/zinc/02/01/38/1064020138.db2.gz FDGZERBSORPMMC-PMACEKPBSA-N 2 1 468.650 2.966 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001295975792 1064020150 /nfs/dbraw/zinc/02/01/50/1064020150.db2.gz FDGZERBSORPMMC-PMACEKPBSA-N 2 1 468.650 2.966 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001291455903 1064021795 /nfs/dbraw/zinc/02/17/95/1064021795.db2.gz GLQHXCDLKCNCHQ-QPPBQGQZSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001291455903 1064021799 /nfs/dbraw/zinc/02/17/99/1064021799.db2.gz GLQHXCDLKCNCHQ-QPPBQGQZSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001291455903 1064021804 /nfs/dbraw/zinc/02/18/04/1064021804.db2.gz GLQHXCDLKCNCHQ-QPPBQGQZSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001291455903 1064021809 /nfs/dbraw/zinc/02/18/09/1064021809.db2.gz GLQHXCDLKCNCHQ-QPPBQGQZSA-N 2 1 484.689 2.954 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295976631 1064022554 /nfs/dbraw/zinc/02/25/54/1064022554.db2.gz HUINMYASCDUKKX-XZOQPEGZSA-N 2 1 496.704 2.548 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@@H]1C ZINC001295977432 1064023431 /nfs/dbraw/zinc/02/34/31/1064023431.db2.gz KPVVLVJNVVHYSE-BBTUJRGHSA-N 2 1 459.614 2.777 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)NC(C)C)n2CC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC001295977447 1064023989 /nfs/dbraw/zinc/02/39/89/1064023989.db2.gz KQMCRNFHULMJFC-WOJBJXKFSA-N 2 1 468.650 2.647 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024232 /nfs/dbraw/zinc/02/42/32/1064024232.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024236 /nfs/dbraw/zinc/02/42/36/1064024236.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024246 /nfs/dbraw/zinc/02/42/46/1064024246.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 2 1 456.635 2.983 20 0 JFADMP CC[NH+]1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001295977597 1064024250 /nfs/dbraw/zinc/02/42/50/1064024250.db2.gz OTUVDTMCCIENDF-WOJBJXKFSA-N 2 1 456.635 2.983 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001295982012 1064032628 /nfs/dbraw/zinc/03/26/28/1064032628.db2.gz VZHURBVXKRREFH-BDTNDASRSA-N 2 1 459.683 2.945 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001295982089 1064033625 /nfs/dbraw/zinc/03/36/25/1064033625.db2.gz WIYAIGDCWUOZPS-NJYVYQBISA-N 2 1 468.650 2.966 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001291476474 1064034825 /nfs/dbraw/zinc/03/48/25/1064034825.db2.gz RULJKHZPKNHPQL-IHFIDZABSA-N 2 1 450.697 2.776 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001295986252 1064042951 /nfs/dbraw/zinc/04/29/51/1064042951.db2.gz UXJSGCSMIHNOFQ-PMACEKPBSA-N 2 1 451.619 2.990 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001295996209 1064052369 /nfs/dbraw/zinc/05/23/69/1064052369.db2.gz NAHMRJHQBGLKNL-VQTJNVASSA-N 2 1 466.634 2.586 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296010586 1064069320 /nfs/dbraw/zinc/06/93/20/1064069320.db2.gz QQTJSJNOVYULIP-ROUUACIJSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001296011277 1064070485 /nfs/dbraw/zinc/07/04/85/1064070485.db2.gz UVDIKBFTZPTEDQ-ONTIZHBOSA-N 2 1 459.683 2.830 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001296067229 1064132534 /nfs/dbraw/zinc/13/25/34/1064132534.db2.gz IIVOIJNOKTXMIU-UXHICEINSA-N 2 1 488.599 2.747 20 0 JFADMP CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001296073940 1064140028 /nfs/dbraw/zinc/14/00/28/1064140028.db2.gz IALHYXZYKWYBSI-QHCPKHFHSA-N 2 1 467.662 2.921 20 0 JFADMP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001296130964 1064224721 /nfs/dbraw/zinc/22/47/21/1064224721.db2.gz GXYQPKXXIQGINZ-SFTDATJTSA-N 2 1 457.642 2.564 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291759419 1064239353 /nfs/dbraw/zinc/23/93/53/1064239353.db2.gz DYIDNKMNKXETLV-ZRCGQRJVSA-N 2 1 456.635 2.841 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291759419 1064239358 /nfs/dbraw/zinc/23/93/58/1064239358.db2.gz DYIDNKMNKXETLV-ZRCGQRJVSA-N 2 1 456.635 2.841 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137477 1064243611 /nfs/dbraw/zinc/24/36/11/1064243611.db2.gz PJBAEJZSCOHETQ-RTWAWAEBSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137477 1064243619 /nfs/dbraw/zinc/24/36/19/1064243619.db2.gz PJBAEJZSCOHETQ-RTWAWAEBSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001296137477 1064243629 /nfs/dbraw/zinc/24/36/29/1064243629.db2.gz PJBAEJZSCOHETQ-RTWAWAEBSA-N 2 1 455.651 2.857 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763377 1064244387 /nfs/dbraw/zinc/24/43/87/1064244387.db2.gz WHZMYIQVWFCFOU-FUHIMQAGSA-N 2 1 494.482 2.923 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291763377 1064244392 /nfs/dbraw/zinc/24/43/92/1064244392.db2.gz WHZMYIQVWFCFOU-FUHIMQAGSA-N 2 1 494.482 2.923 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CCOCC[NH+](C)C)C[C@@H]1C ZINC001296142743 1064251167 /nfs/dbraw/zinc/25/11/67/1064251167.db2.gz MXUXWJPVCVBNKJ-KRWDZBQOSA-N 2 1 465.440 2.816 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001291771510 1064254708 /nfs/dbraw/zinc/25/47/08/1064254708.db2.gz GKNIIUQTJYMCLO-KSEOMHKRSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001291771510 1064254719 /nfs/dbraw/zinc/25/47/19/1064254719.db2.gz GKNIIUQTJYMCLO-KSEOMHKRSA-N 2 1 453.635 2.670 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001291771510 1064254722 /nfs/dbraw/zinc/25/47/22/1064254722.db2.gz GKNIIUQTJYMCLO-KSEOMHKRSA-N 2 1 453.635 2.670 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296145094 1064254999 /nfs/dbraw/zinc/25/49/99/1064254999.db2.gz LIRRBWCIKIVCRP-RTWAWAEBSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296145094 1064255005 /nfs/dbraw/zinc/25/50/05/1064255005.db2.gz LIRRBWCIKIVCRP-RTWAWAEBSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296145094 1064255009 /nfs/dbraw/zinc/25/50/09/1064255009.db2.gz LIRRBWCIKIVCRP-RTWAWAEBSA-N 2 1 468.650 2.968 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001296145889 1064256269 /nfs/dbraw/zinc/25/62/69/1064256269.db2.gz GSRJLACBMRWQIU-VGOFRKELSA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001296145889 1064256274 /nfs/dbraw/zinc/25/62/74/1064256274.db2.gz GSRJLACBMRWQIU-VGOFRKELSA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001296145889 1064256286 /nfs/dbraw/zinc/25/62/86/1064256286.db2.gz GSRJLACBMRWQIU-VGOFRKELSA-N 2 1 477.451 2.613 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774050 1064260715 /nfs/dbraw/zinc/26/07/15/1064260715.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001291774050 1064260719 /nfs/dbraw/zinc/26/07/19/1064260719.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291774050 1064260725 /nfs/dbraw/zinc/26/07/25/1064260725.db2.gz KTZMIQFRAPDRLS-VWNXMTODSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291777058 1064265887 /nfs/dbraw/zinc/26/58/87/1064265887.db2.gz BMYBAEFHLLGYAH-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291777058 1064265896 /nfs/dbraw/zinc/26/58/96/1064265896.db2.gz BMYBAEFHLLGYAH-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291777058 1064265904 /nfs/dbraw/zinc/26/59/04/1064265904.db2.gz BMYBAEFHLLGYAH-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291777058 1064265909 /nfs/dbraw/zinc/26/59/09/1064265909.db2.gz BMYBAEFHLLGYAH-JOCHJYFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291781830 1064269511 /nfs/dbraw/zinc/26/95/11/1064269511.db2.gz JFLKRIRVBRKKJY-QHCPKHFHSA-N 2 1 482.721 2.989 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291781830 1064269522 /nfs/dbraw/zinc/26/95/22/1064269522.db2.gz JFLKRIRVBRKKJY-QHCPKHFHSA-N 2 1 482.721 2.989 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291781830 1064269529 /nfs/dbraw/zinc/26/95/29/1064269529.db2.gz JFLKRIRVBRKKJY-QHCPKHFHSA-N 2 1 482.721 2.989 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162836 1064276890 /nfs/dbraw/zinc/27/68/90/1064276890.db2.gz PYOALTVJKCWYSO-NJYVYQBISA-N 2 1 455.651 2.682 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162836 1064276897 /nfs/dbraw/zinc/27/68/97/1064276897.db2.gz PYOALTVJKCWYSO-NJYVYQBISA-N 2 1 455.651 2.682 20 0 JFADMP CC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001296162836 1064276909 /nfs/dbraw/zinc/27/69/09/1064276909.db2.gz PYOALTVJKCWYSO-NJYVYQBISA-N 2 1 455.651 2.682 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296169229 1064292642 /nfs/dbraw/zinc/29/26/42/1064292642.db2.gz KTQSUULOZHABHU-HXUWFJFHSA-N 2 1 459.708 2.734 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001296169229 1064292655 /nfs/dbraw/zinc/29/26/55/1064292655.db2.gz KTQSUULOZHABHU-HXUWFJFHSA-N 2 1 459.708 2.734 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001296169229 1064292667 /nfs/dbraw/zinc/29/26/67/1064292667.db2.gz KTQSUULOZHABHU-HXUWFJFHSA-N 2 1 459.708 2.734 20 0 JFADMP CC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173528 1064296366 /nfs/dbraw/zinc/29/63/66/1064296366.db2.gz JHGHGCYEQXUZLO-PWRODBHTSA-N 2 1 462.683 2.838 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173528 1064296385 /nfs/dbraw/zinc/29/63/85/1064296385.db2.gz JHGHGCYEQXUZLO-PWRODBHTSA-N 2 1 462.683 2.838 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173528 1064296404 /nfs/dbraw/zinc/29/64/04/1064296404.db2.gz JHGHGCYEQXUZLO-PWRODBHTSA-N 2 1 462.683 2.838 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001296173528 1064296415 /nfs/dbraw/zinc/29/64/15/1064296415.db2.gz JHGHGCYEQXUZLO-PWRODBHTSA-N 2 1 462.683 2.838 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296173703 1064297055 /nfs/dbraw/zinc/29/70/55/1064297055.db2.gz KMZNOSAGNDGIEN-IBGZPJMESA-N 2 1 477.053 2.888 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001296173694 1064298199 /nfs/dbraw/zinc/29/81/99/1064298199.db2.gz KCVVBAZKZZAYOO-BJESRGMDSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173694 1064298205 /nfs/dbraw/zinc/29/82/05/1064298205.db2.gz KCVVBAZKZZAYOO-BJESRGMDSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H]1C ZINC001296173694 1064298214 /nfs/dbraw/zinc/29/82/14/1064298214.db2.gz KCVVBAZKZZAYOO-BJESRGMDSA-N 2 1 462.683 2.901 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1)CCC(F)(F)F ZINC001296181315 1064314998 /nfs/dbraw/zinc/31/49/98/1064314998.db2.gz VPQGANCMQAXUEN-HXUWFJFHSA-N 2 1 494.610 2.831 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001296183294 1064327675 /nfs/dbraw/zinc/32/76/75/1064327675.db2.gz CUYOKXBHFSBCJP-SDHOMARFSA-N 2 1 488.769 2.670 20 0 JFADMP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296204756 1064387075 /nfs/dbraw/zinc/38/70/75/1064387075.db2.gz WEUJURDNHKMYMA-UHFFFAOYSA-N 2 1 482.721 2.992 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296204756 1064387080 /nfs/dbraw/zinc/38/70/80/1064387080.db2.gz WEUJURDNHKMYMA-UHFFFAOYSA-N 2 1 482.721 2.992 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296204756 1064387091 /nfs/dbraw/zinc/38/70/91/1064387091.db2.gz WEUJURDNHKMYMA-UHFFFAOYSA-N 2 1 482.721 2.992 20 0 JFADMP CCN1CC[NH+](CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296206441 1064395366 /nfs/dbraw/zinc/39/53/66/1064395366.db2.gz QXDYDXNJRGNALO-YADHBBJMSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001296206441 1064395373 /nfs/dbraw/zinc/39/53/73/1064395373.db2.gz QXDYDXNJRGNALO-YADHBBJMSA-N 2 1 499.704 2.909 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC001296206441 1064395382 /nfs/dbraw/zinc/39/53/82/1064395382.db2.gz QXDYDXNJRGNALO-YADHBBJMSA-N 2 1 499.704 2.909 20 0 JFADMP CCn1nc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001296221068 1064437348 /nfs/dbraw/zinc/43/73/48/1064437348.db2.gz DAQNNTSWCCNTGM-UHFFFAOYSA-N 2 1 480.661 2.936 20 0 JFADMP CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001291954601 1064568339 /nfs/dbraw/zinc/56/83/39/1064568339.db2.gz VQTMLFJBPAXHEI-LEWJYISDSA-N 2 1 468.650 2.966 20 0 JFADMP CCC(CC)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCCC[C@H]2C1)[NH+](C)C ZINC001291954609 1064568366 /nfs/dbraw/zinc/56/83/66/1064568366.db2.gz VQTMLFJBPAXHEI-SFTDATJTSA-N 2 1 468.650 2.966 20 0 JFADMP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162057 1064946990 /nfs/dbraw/zinc/94/69/90/1064946990.db2.gz IBDXXAPMTMFLCA-MDNUFGMLSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](CCOC)CC1)[NH+]1CCCC1 ZINC001292181677 1064972229 /nfs/dbraw/zinc/97/22/29/1064972229.db2.gz VKJLYTAQYHTDBV-GOSISDBHSA-N 2 1 480.455 2.679 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001292615660 1065348612 /nfs/dbraw/zinc/34/86/12/1065348612.db2.gz QFAUQYVHCIVOOM-FQEVSTJZSA-N 2 1 458.676 2.999 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893143 1065592414 /nfs/dbraw/zinc/59/24/14/1065592414.db2.gz LHSSXWWGVIHIAJ-RDGATRHJSA-N 2 1 487.737 2.978 20 0 JFADMP C[NH+](C)CCSc1nc(CC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC001292949770 1065629744 /nfs/dbraw/zinc/62/97/44/1065629744.db2.gz VQXDXHHLRCAKNB-KRWDZBQOSA-N 2 1 453.703 2.506 20 0 JFADMP CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001293123700 1065776759 /nfs/dbraw/zinc/77/67/59/1065776759.db2.gz LGVGWGMXSSJTRO-XMMPIXPASA-N 2 1 486.709 2.650 20 0 JFADMP CC[C@H]1CN(c2nnc(C)n2C[C@H](c2ccccc2OC)[NH+]2CCCC2)CC[N@H+]1CCOC ZINC001293530373 1066049829 /nfs/dbraw/zinc/04/98/29/1066049829.db2.gz OUSVLYHYCNLWJA-JTHBVZDNSA-N 2 1 456.635 2.979 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001293566753 1066080061 /nfs/dbraw/zinc/08/00/61/1066080061.db2.gz WNDRZKRAABQMNT-FQEVSTJZSA-N 2 1 474.625 2.742 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+](CC)CC)C[C@@H]1[NH+]1CCOCC1 ZINC001293577557 1066087759 /nfs/dbraw/zinc/08/77/59/1066087759.db2.gz FLKMZKLCBMJQEB-XJUOHMSHSA-N 2 1 455.651 2.926 20 0 JFADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@H+]1CCOC ZINC001293588193 1066096489 /nfs/dbraw/zinc/09/64/89/1066096489.db2.gz USFTYVHLSULDRO-MQSCRBSSSA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001293592613 1066098335 /nfs/dbraw/zinc/09/83/35/1066098335.db2.gz BVDBJTSNKUKMJC-PKTZIBPZSA-N 2 1 462.683 2.841 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC001293601199 1066118035 /nfs/dbraw/zinc/11/80/35/1066118035.db2.gz UPHCDGCFARUGMG-RTWAWAEBSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293609633 1066124823 /nfs/dbraw/zinc/12/48/23/1066124823.db2.gz RLCCTOTUKVDSLW-ZLNRFVROSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293609633 1066124826 /nfs/dbraw/zinc/12/48/26/1066124826.db2.gz RLCCTOTUKVDSLW-ZLNRFVROSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(COc3cccc(C)c3)n2C[C@H](C)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293637388 1066155221 /nfs/dbraw/zinc/15/52/21/1066155221.db2.gz FPWQQESQMCYSFY-QZNHQXDQSA-N 2 1 456.635 2.663 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC001294065908 1066536312 /nfs/dbraw/zinc/53/63/12/1066536312.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC001294065908 1066536323 /nfs/dbraw/zinc/53/63/23/1066536323.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294065908 1066536336 /nfs/dbraw/zinc/53/63/36/1066536336.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 2 1 456.635 2.603 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC001294065908 1066536348 /nfs/dbraw/zinc/53/63/48/1066536348.db2.gz FIZUSSCKFMXMHD-JTHBVZDNSA-N 2 1 456.635 2.603 20 0 JFADMP C(c1nc2sc3c(c2c(N2CCCO[C@@]4(C[NH2+]CCOC4)C2)n1)CCC3)[NH+]1CCCCC1 ZINC001164422836 718915962 /nfs/dbraw/zinc/91/59/62/718915962.db2.gz BPGUYJAXQVABEP-DEOSSOPVSA-N 2 1 457.644 2.751 20 0 JFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCC3 ZINC001164618267 719016931 /nfs/dbraw/zinc/01/69/31/719016931.db2.gz RSUQTNNATOUCPC-RYQLBKOJSA-N 2 1 455.628 2.896 20 0 JFADMP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4cccc(OCC[NH+]5CCCC5)n4)C3)C2)cc[nH+]1 ZINC001164665354 719357060 /nfs/dbraw/zinc/35/70/60/719357060.db2.gz VBYHLTWNCYMHFW-AREMUKBSSA-N 2 1 481.645 2.536 20 0 JFADMP C[N@H+]1CCO[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@@H]21 ZINC001164667817 719426122 /nfs/dbraw/zinc/42/61/22/719426122.db2.gz HIXZVKOQBKGMHB-PMACEKPBSA-N 2 1 468.985 2.916 20 0 JFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164714058 720142763 /nfs/dbraw/zinc/14/27/63/720142763.db2.gz VUYSRWHNMGHUAR-NRFANRHFSA-N 2 1 452.603 2.510 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1 ZINC001164718275 720203428 /nfs/dbraw/zinc/20/34/28/720203428.db2.gz ZGFBWRDJOWHTBI-GGAORHGYSA-N 2 1 453.635 2.973 20 0 JFADMP CN(C)C(=O)c1cc2c[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)nc2n1C1CCCC1 ZINC001164730805 720515143 /nfs/dbraw/zinc/51/51/43/720515143.db2.gz TYYGHSSVFHJELV-KRWDZBQOSA-N 2 1 450.591 2.643 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746694 720806470 /nfs/dbraw/zinc/80/64/70/720806470.db2.gz MPPOWKQIDBZODK-ROUUACIJSA-N 2 1 462.932 2.789 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746694 720806473 /nfs/dbraw/zinc/80/64/73/720806473.db2.gz MPPOWKQIDBZODK-ROUUACIJSA-N 2 1 462.932 2.789 20 0 JFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744539 720820622 /nfs/dbraw/zinc/82/06/22/720820622.db2.gz VDLOOFVQCDWRFU-QKNQBKEWSA-N 2 1 457.026 2.568 20 0 JFADMP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753375 720896734 /nfs/dbraw/zinc/89/67/34/720896734.db2.gz GSGUFSYXERHFTF-NAKRPHOHSA-N 2 1 476.669 2.984 20 0 JFADMP C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)n2)CC1 ZINC001164753371 720896758 /nfs/dbraw/zinc/89/67/58/720896758.db2.gz GSGUFSYXERHFTF-LEAFIULHSA-N 2 1 476.669 2.984 20 0 JFADMP [NH3+]C1CCN(c2ccnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)n2)CC1 ZINC001164756587 720898203 /nfs/dbraw/zinc/89/82/03/720898203.db2.gz QRPGOPVOFRSBQG-HOFKKMOUSA-N 2 1 477.657 2.554 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866397 721079286 /nfs/dbraw/zinc/07/92/86/721079286.db2.gz TURZOYZDAPKFMB-ZEQRLZLVSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866397 721079292 /nfs/dbraw/zinc/07/92/92/721079292.db2.gz TURZOYZDAPKFMB-ZEQRLZLVSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866397 721079298 /nfs/dbraw/zinc/07/92/98/721079298.db2.gz TURZOYZDAPKFMB-ZEQRLZLVSA-N 2 1 456.594 2.910 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC[NH+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)C2)cc1 ZINC001164866397 721079301 /nfs/dbraw/zinc/07/93/01/721079301.db2.gz TURZOYZDAPKFMB-ZEQRLZLVSA-N 2 1 456.594 2.910 20 0 JFADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721267987 /nfs/dbraw/zinc/26/79/87/721267987.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 2 1 477.653 2.647 20 0 JFADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ccc4c(n3)CC[N@@H+](Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721267992 /nfs/dbraw/zinc/26/79/92/721267992.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 2 1 477.653 2.647 20 0 JFADMP CN(C)C(=O)C[NH+]1CCOCC2(CCN(c3ccc4c(n3)CC[N@H+](Cc3ccccc3)C4)CC2)C1 ZINC001164870420 721267999 /nfs/dbraw/zinc/26/79/99/721267999.db2.gz YHAUXSDUJSWSGB-UHFFFAOYSA-N 2 1 477.653 2.647 20 0 JFADMP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000616159180 1059921328 /nfs/dbraw/zinc/92/13/28/1059921328.db2.gz MZCGHVBIBVRELV-JOCHJYFZSA-N 2 1 458.553 2.648 20 0 JFADMP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000616159180 1059921343 /nfs/dbraw/zinc/92/13/43/1059921343.db2.gz MZCGHVBIBVRELV-JOCHJYFZSA-N 2 1 458.553 2.648 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[NH+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871406 1061271565 /nfs/dbraw/zinc/27/15/65/1061271565.db2.gz NUZQKMZQVBQWRH-LADGPHEKSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871406 1061271583 /nfs/dbraw/zinc/27/15/83/1061271583.db2.gz NUZQKMZQVBQWRH-LADGPHEKSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC[N@H+]3CCCC(C)(C)C3)C[C@@H]2C)CC1 ZINC001286871406 1061271598 /nfs/dbraw/zinc/27/15/98/1061271598.db2.gz NUZQKMZQVBQWRH-LADGPHEKSA-N 2 1 487.737 2.978 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C)n3C[C@H](c3ccc(C)cc3)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286872941 1061283261 /nfs/dbraw/zinc/28/32/61/1061283261.db2.gz ZBEQSCABLBBEDM-BUUDZMLXSA-N 2 1 467.662 2.577 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3CC(C)(C)[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886555 1061329294 /nfs/dbraw/zinc/32/92/94/1061329294.db2.gz FRWJHZKDYDFJFN-IFMALSPDSA-N 2 1 473.710 2.829 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C3CCCCC3)[NH+](C)C)C[C@H]2C)CC1 ZINC001286886599 1061329869 /nfs/dbraw/zinc/32/98/69/1061329869.db2.gz GBYSLMGQRILRHK-HUVFLSCGSA-N 2 1 473.710 2.901 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886706 1061330880 /nfs/dbraw/zinc/33/08/80/1061330880.db2.gz HRVPQSJDUDYGBO-PPJWLVRDSA-N 2 1 495.716 2.986 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886706 1061330899 /nfs/dbraw/zinc/33/08/99/1061330899.db2.gz HRVPQSJDUDYGBO-PPJWLVRDSA-N 2 1 495.716 2.986 20 0 JFADMP Cc1cccc(-c2nnc(N3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)n2CC[N@H+](C)C(C)C)n1 ZINC001289954718 1061650627 /nfs/dbraw/zinc/65/06/27/1061650627.db2.gz OCESHFIWTIQYGA-QFIPXVFZSA-N 2 1 454.667 2.593 20 0 JFADMP CCCC[N@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001294214346 1061722434 /nfs/dbraw/zinc/72/24/34/1061722434.db2.gz HVMNRAJRYINSOR-RUZDIDTESA-N 2 1 456.635 2.987 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001294214346 1061722453 /nfs/dbraw/zinc/72/24/53/1061722453.db2.gz HVMNRAJRYINSOR-RUZDIDTESA-N 2 1 456.635 2.987 20 0 JFADMP CCCC[N@@H+](C)CCn1c(-c2cccc(OC)c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001294214823 1061724072 /nfs/dbraw/zinc/72/40/72/1061724072.db2.gz NUPGMXDMZQCXDR-UHFFFAOYSA-N 2 1 456.635 2.987 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226271 1061739196 /nfs/dbraw/zinc/73/91/96/1061739196.db2.gz RNNJPIOOIDLVKY-GOTSBHOMSA-N 2 1 494.750 2.860 20 0 JFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1nn2c(c1Br)CCC2 ZINC001294300228 1061788729 /nfs/dbraw/zinc/78/87/29/1061788729.db2.gz VOXAZTAATOCIHC-UHFFFAOYSA-N 2 1 452.441 2.860 20 0 JFADMP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[NH+]4C)CC3)n2CCC[N@H+](C)C(C)C)c1 ZINC001290071635 1061799029 /nfs/dbraw/zinc/79/90/29/1061799029.db2.gz QQCKBQOGIZAAJP-XMMPIXPASA-N 2 1 497.688 2.639 20 0 JFADMP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)n2CCC[NH+](C)C(C)C)c1 ZINC001290071635 1061799052 /nfs/dbraw/zinc/79/90/52/1061799052.db2.gz QQCKBQOGIZAAJP-XMMPIXPASA-N 2 1 497.688 2.639 20 0 JFADMP Cc1cccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)n2CCC[NH+](C)C(C)C)c1 ZINC001290071635 1061799072 /nfs/dbraw/zinc/79/90/72/1061799072.db2.gz QQCKBQOGIZAAJP-XMMPIXPASA-N 2 1 497.688 2.639 20 0 JFADMP CC(C)(C)Cc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001287034960 1062000080 /nfs/dbraw/zinc/00/00/80/1062000080.db2.gz CGKBBEYCRXWIQS-QHCPKHFHSA-N 2 1 476.710 2.652 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467588 1062017028 /nfs/dbraw/zinc/01/70/28/1062017028.db2.gz HTNHWVXTZAHEIJ-ACIOBRDBSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001294513690 1062048002 /nfs/dbraw/zinc/04/80/02/1062048002.db2.gz ICSMEROONIROFX-JOCHJYFZSA-N 2 1 454.667 2.677 20 0 JFADMP CCC[N@@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294663110 1062214777 /nfs/dbraw/zinc/21/47/77/1062214777.db2.gz QRCXWVNASJUTII-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001294663110 1062214800 /nfs/dbraw/zinc/21/48/00/1062214800.db2.gz QRCXWVNASJUTII-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001294663110 1062214821 /nfs/dbraw/zinc/21/48/21/1062214821.db2.gz QRCXWVNASJUTII-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(Cc3ccccn3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001294663110 1062214844 /nfs/dbraw/zinc/21/48/44/1062214844.db2.gz QRCXWVNASJUTII-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001294671029 1062229239 /nfs/dbraw/zinc/22/92/39/1062229239.db2.gz VTUKILUNKCTSRO-YPAWHYETSA-N 2 1 462.683 2.697 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001294671029 1062229265 /nfs/dbraw/zinc/22/92/65/1062229265.db2.gz VTUKILUNKCTSRO-YPAWHYETSA-N 2 1 462.683 2.697 20 0 JFADMP CCC[N@H+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[NH+](CC)[C@@H](C)C2)C1 ZINC001294671441 1062230148 /nfs/dbraw/zinc/23/01/48/1062230148.db2.gz WRIBJXRXJRBKST-OALUTQOASA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC001294671441 1062230169 /nfs/dbraw/zinc/23/01/69/1062230169.db2.gz WRIBJXRXJRBKST-OALUTQOASA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CC[C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC001294671441 1062230189 /nfs/dbraw/zinc/23/01/89/1062230189.db2.gz WRIBJXRXJRBKST-OALUTQOASA-N 2 1 459.664 2.532 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294688412 1062248549 /nfs/dbraw/zinc/24/85/49/1062248549.db2.gz YMWKPTSLRDBMMZ-DEOSSOPVSA-N 2 1 461.054 2.900 20 0 JFADMP CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001294694976 1062256295 /nfs/dbraw/zinc/25/62/95/1062256295.db2.gz XHRCRRUTUZWMPC-FCHUYYIVSA-N 2 1 459.683 2.947 20 0 JFADMP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001294696239 1062258183 /nfs/dbraw/zinc/25/81/83/1062258183.db2.gz DEKVLGLIVHTNMW-QHCPKHFHSA-N 2 1 496.704 2.903 20 0 JFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4cc(OC)c(OC)c(OC)c4CC3)CC2)CC1 ZINC001294819700 1062500174 /nfs/dbraw/zinc/50/01/74/1062500174.db2.gz DZPGRTBJCQJGQG-UHFFFAOYSA-N 2 1 459.631 2.836 20 0 JFADMP CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158603 1062552181 /nfs/dbraw/zinc/55/21/81/1062552181.db2.gz FUNUUCRNAAKFPE-KAOXLYBCSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC001287158603 1062552199 /nfs/dbraw/zinc/55/21/99/1062552199.db2.gz FUNUUCRNAAKFPE-KAOXLYBCSA-N 2 1 462.683 2.838 20 0 JFADMP CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287163492 1062569748 /nfs/dbraw/zinc/56/97/48/1062569748.db2.gz WGKAHDLHDTXKND-QHCPKHFHSA-N 2 1 469.678 2.931 20 0 JFADMP CC(C)[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287163492 1062569766 /nfs/dbraw/zinc/56/97/66/1062569766.db2.gz WGKAHDLHDTXKND-QHCPKHFHSA-N 2 1 469.678 2.931 20 0 JFADMP CN1CC[N@@H+](CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715309 /nfs/dbraw/zinc/71/53/09/1062715309.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715329 /nfs/dbraw/zinc/71/53/29/1062715329.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP CN1CC[NH+](CCCNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715351 /nfs/dbraw/zinc/71/53/51/1062715351.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP C[N@@H+]1CCN(CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715372 /nfs/dbraw/zinc/71/53/72/1062715372.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP C[N@H+]1CCN(CCCNC(=O)[C@]2(O)CCC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715390 /nfs/dbraw/zinc/71/53/90/1062715390.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715412 /nfs/dbraw/zinc/71/54/12/1062715412.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP C[NH+]1CCN(CCCNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC001290820492 1062715432 /nfs/dbraw/zinc/71/54/32/1062715432.db2.gz MICXTSPPSSYMSP-VPUSJEBWSA-N 2 1 450.627 2.509 20 0 JFADMP CC(C)C[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC001287335470 1062813420 /nfs/dbraw/zinc/81/34/20/1062813420.db2.gz VQYKDEXTUOTMIU-BJKOFHAPSA-N 2 1 499.679 2.727 20 0 JFADMP CC(C)Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1Cc1ccccc1OCC[NH+](C)C ZINC001287386405 1062837261 /nfs/dbraw/zinc/83/72/61/1062837261.db2.gz XQTXVTWRJPUNKT-GMAHTHKFSA-N 2 1 470.662 2.622 20 0 JFADMP CC(C)[NH2+]C1CCN(c2nnc(CN3CCCC3=O)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001291014524 1062923550 /nfs/dbraw/zinc/92/35/50/1062923550.db2.gz DVOQPXRRXXLAQE-OYRHEFFESA-N 2 1 459.683 2.735 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001287476521 1062930538 /nfs/dbraw/zinc/93/05/38/1062930538.db2.gz LOXSCCLXRBDALR-UHFFFAOYSA-N 2 1 475.726 2.582 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001287476521 1062930565 /nfs/dbraw/zinc/93/05/65/1062930565.db2.gz LOXSCCLXRBDALR-UHFFFAOYSA-N 2 1 475.726 2.582 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001295126697 1062942976 /nfs/dbraw/zinc/94/29/76/1062942976.db2.gz IICWESNAABYURN-JOCHJYFZSA-N 2 1 453.635 2.696 20 0 JFADMP CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001291066539 1063012562 /nfs/dbraw/zinc/01/25/62/1063012562.db2.gz PCQSCJCMGSUBJH-OFVILXPXSA-N 2 1 459.683 2.945 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001287741883 1063068759 /nfs/dbraw/zinc/06/87/59/1063068759.db2.gz OTXHUSUSWASGFQ-SZPZYZBQSA-N 2 1 461.699 2.952 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001291106643 1063093682 /nfs/dbraw/zinc/09/36/82/1063093682.db2.gz YQVADIWGVGVZKJ-RZUBCFFCSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106643 1063093707 /nfs/dbraw/zinc/09/37/07/1063093707.db2.gz YQVADIWGVGVZKJ-RZUBCFFCSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)[NH+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001291106643 1063093731 /nfs/dbraw/zinc/09/37/31/1063093731.db2.gz YQVADIWGVGVZKJ-RZUBCFFCSA-N 2 1 459.683 2.906 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123608 1063138388 /nfs/dbraw/zinc/13/83/88/1063138388.db2.gz NWXIVUZXDXNVDZ-FCHUYYIVSA-N 2 1 459.683 2.993 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001295326764 1063215305 /nfs/dbraw/zinc/21/53/05/1063215305.db2.gz ACBXDBIABZYOQN-JOCHJYFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC001295326764 1063215324 /nfs/dbraw/zinc/21/53/24/1063215324.db2.gz ACBXDBIABZYOQN-JOCHJYFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001295326764 1063215345 /nfs/dbraw/zinc/21/53/45/1063215345.db2.gz ACBXDBIABZYOQN-JOCHJYFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001295326764 1063215368 /nfs/dbraw/zinc/21/53/68/1063215368.db2.gz ACBXDBIABZYOQN-JOCHJYFZSA-N 2 1 484.693 2.774 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295327127 1063221306 /nfs/dbraw/zinc/22/13/06/1063221306.db2.gz OKBIMFOTLJBZLG-HSZRJFAPSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001295327127 1063221328 /nfs/dbraw/zinc/22/13/28/1063221328.db2.gz OKBIMFOTLJBZLG-HSZRJFAPSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001295327127 1063221346 /nfs/dbraw/zinc/22/13/46/1063221346.db2.gz OKBIMFOTLJBZLG-HSZRJFAPSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295327127 1063221365 /nfs/dbraw/zinc/22/13/65/1063221365.db2.gz OKBIMFOTLJBZLG-HSZRJFAPSA-N 2 1 496.704 2.841 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001295327539 1063224048 /nfs/dbraw/zinc/22/40/48/1063224048.db2.gz WPKZABPUHAHZSA-QFIPXVFZSA-N 2 1 467.662 2.810 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCC[C@@H]2C)CC1 ZINC001295327539 1063224068 /nfs/dbraw/zinc/22/40/68/1063224068.db2.gz WPKZABPUHAHZSA-QFIPXVFZSA-N 2 1 467.662 2.810 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001295327539 1063224085 /nfs/dbraw/zinc/22/40/85/1063224085.db2.gz WPKZABPUHAHZSA-QFIPXVFZSA-N 2 1 467.662 2.810 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001295327539 1063224114 /nfs/dbraw/zinc/22/41/14/1063224114.db2.gz WPKZABPUHAHZSA-QFIPXVFZSA-N 2 1 467.662 2.810 20 0 JFADMP CC(C)[N@@H+](C)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001291144712 1063226809 /nfs/dbraw/zinc/22/68/09/1063226809.db2.gz TVHCKHIOSPBOTO-FYYLOGMGSA-N 2 1 494.750 2.857 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[NH+]2CC)CC1 ZINC001295330568 1063231149 /nfs/dbraw/zinc/23/11/49/1063231149.db2.gz ZNVGWQJAGFWODX-NRFANRHFSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[NH+]2CC)CC1 ZINC001295330568 1063231171 /nfs/dbraw/zinc/23/11/71/1063231171.db2.gz ZNVGWQJAGFWODX-NRFANRHFSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295330568 1063231198 /nfs/dbraw/zinc/23/11/98/1063231198.db2.gz ZNVGWQJAGFWODX-NRFANRHFSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295330568 1063231219 /nfs/dbraw/zinc/23/12/19/1063231219.db2.gz ZNVGWQJAGFWODX-NRFANRHFSA-N 2 1 461.699 2.831 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295333790 1063232053 /nfs/dbraw/zinc/23/20/53/1063232053.db2.gz AEJZHCCFLZGVKU-UHFFFAOYSA-N 2 1 496.704 2.520 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCCCCC2)CC1 ZINC001295333790 1063232077 /nfs/dbraw/zinc/23/20/77/1063232077.db2.gz AEJZHCCFLZGVKU-UHFFFAOYSA-N 2 1 496.704 2.520 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[NH+]2CC)CC1 ZINC001295333824 1063233299 /nfs/dbraw/zinc/23/32/99/1063233299.db2.gz BFHIGAPBFACHSN-QFIPXVFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[NH+]2CC)CC1 ZINC001295333824 1063233319 /nfs/dbraw/zinc/23/33/19/1063233319.db2.gz BFHIGAPBFACHSN-QFIPXVFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001295333824 1063233339 /nfs/dbraw/zinc/23/33/39/1063233339.db2.gz BFHIGAPBFACHSN-QFIPXVFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001295333824 1063233361 /nfs/dbraw/zinc/23/33/61/1063233361.db2.gz BFHIGAPBFACHSN-QFIPXVFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295335121 1063249709 /nfs/dbraw/zinc/24/97/09/1063249709.db2.gz ZNFPBQQWCZNVSU-UHFFFAOYSA-N 2 1 496.704 2.519 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(Cc3cccnc3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001295335121 1063249728 /nfs/dbraw/zinc/24/97/28/1063249728.db2.gz ZNFPBQQWCZNVSU-UHFFFAOYSA-N 2 1 496.704 2.519 20 0 JFADMP CC(C)O[C@]1(c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185948 1063287555 /nfs/dbraw/zinc/28/75/55/1063287555.db2.gz VFEYEWVOSVTMGR-AREMUKBSSA-N 2 1 492.709 2.598 20 0 JFADMP CC(C)O[C@]1(c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCC(C)CC2)CCOC1 ZINC001291185948 1063287576 /nfs/dbraw/zinc/28/75/76/1063287576.db2.gz VFEYEWVOSVTMGR-AREMUKBSSA-N 2 1 492.709 2.598 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001295359507 1063320166 /nfs/dbraw/zinc/32/01/66/1063320166.db2.gz ZQXUOXILCAJIDL-NRFANRHFSA-N 2 1 455.651 2.859 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295366160 1063329551 /nfs/dbraw/zinc/32/95/51/1063329551.db2.gz NFSMQCUMCIHMTN-MOPGFXCFSA-N 2 1 462.664 2.609 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001295378710 1063349106 /nfs/dbraw/zinc/34/91/06/1063349106.db2.gz JAYPHZVKWIFUDX-MIZPHKNDSA-N 2 1 458.626 2.895 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001295392633 1063377197 /nfs/dbraw/zinc/37/71/97/1063377197.db2.gz ZYKZXRAJBXVKMK-OAQYLSRUSA-N 2 1 487.718 2.795 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001295392633 1063377209 /nfs/dbraw/zinc/37/72/09/1063377209.db2.gz ZYKZXRAJBXVKMK-OAQYLSRUSA-N 2 1 487.718 2.795 20 0 JFADMP C[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291214438 1063414293 /nfs/dbraw/zinc/41/42/93/1063414293.db2.gz WQXDUKKVQGOWOO-HLIPFELVSA-N 2 1 464.561 2.654 20 0 JFADMP C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291217037 1063436780 /nfs/dbraw/zinc/43/67/80/1063436780.db2.gz VCOVWPBYTDZPMI-FUHIMQAGSA-N 2 1 477.451 2.815 20 0 JFADMP C[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC001291217040 1063437761 /nfs/dbraw/zinc/43/77/61/1063437761.db2.gz VCOVWPBYTDZPMI-UWVAXJGDSA-N 2 1 477.451 2.815 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CC[N@H+]2CCc3sccc3C2)CC1 ZINC001295480535 1063491664 /nfs/dbraw/zinc/49/16/64/1063491664.db2.gz NTRBTPTXNYIJBL-UHFFFAOYSA-N 2 1 487.718 2.686 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001295481304 1063492638 /nfs/dbraw/zinc/49/26/38/1063492638.db2.gz ULINSYRUUPDUBO-WIOPSUGQSA-N 2 1 481.689 2.878 20 0 JFADMP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC[NH+]2CCOCC2)C1 ZINC001295506972 1063543001 /nfs/dbraw/zinc/54/30/01/1063543001.db2.gz MXSCRTQCOFELKJ-LJQANCHMSA-N 2 1 462.042 2.884 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[N@@H+](CC)C2)C1 ZINC001295506330 1063543135 /nfs/dbraw/zinc/54/31/35/1063543135.db2.gz JTUNNRSPMCIBSA-SFTDATJTSA-N 2 1 488.702 2.859 20 0 JFADMP CC(C)[N@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291261381 1063556629 /nfs/dbraw/zinc/55/66/29/1063556629.db2.gz AKGAYVWEQSWQLU-NZQKXSOJSA-N 2 1 458.626 2.895 20 0 JFADMP CC(C)[N@@H+](C)CCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291261381 1063556647 /nfs/dbraw/zinc/55/66/47/1063556647.db2.gz AKGAYVWEQSWQLU-NZQKXSOJSA-N 2 1 458.626 2.895 20 0 JFADMP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291285070 1063624311 /nfs/dbraw/zinc/62/43/11/1063624311.db2.gz KJPQYCFJMKUMER-GXRSIYKFSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291285070 1063624324 /nfs/dbraw/zinc/62/43/24/1063624324.db2.gz KJPQYCFJMKUMER-GXRSIYKFSA-N 2 1 462.683 2.694 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295839867 1063859209 /nfs/dbraw/zinc/85/92/09/1063859209.db2.gz ZKVAVSGPISDTGJ-SFHVURJKSA-N 2 1 469.556 2.706 20 0 JFADMP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844215 1063863436 /nfs/dbraw/zinc/86/34/36/1063863436.db2.gz AJUUMSGJUJPJEN-GOSISDBHSA-N 2 1 499.607 2.887 20 0 JFADMP CC[N@@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cccs2)CC1)CCC(F)(F)F ZINC001295844215 1063863447 /nfs/dbraw/zinc/86/34/47/1063863447.db2.gz AJUUMSGJUJPJEN-GOSISDBHSA-N 2 1 499.607 2.887 20 0 JFADMP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001295975477 1064019675 /nfs/dbraw/zinc/01/96/75/1064019675.db2.gz DJYREEHEWZOTMJ-WOJBJXKFSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001295975477 1064019684 /nfs/dbraw/zinc/01/96/84/1064019684.db2.gz DJYREEHEWZOTMJ-WOJBJXKFSA-N 2 1 472.634 2.604 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001291455905 1064021690 /nfs/dbraw/zinc/02/16/90/1064021690.db2.gz GLQHXCDLKCNCHQ-XUZZJYLKSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC001291455905 1064021697 /nfs/dbraw/zinc/02/16/97/1064021697.db2.gz GLQHXCDLKCNCHQ-XUZZJYLKSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001291455905 1064021702 /nfs/dbraw/zinc/02/17/02/1064021702.db2.gz GLQHXCDLKCNCHQ-XUZZJYLKSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001291455905 1064021708 /nfs/dbraw/zinc/02/17/08/1064021708.db2.gz GLQHXCDLKCNCHQ-XUZZJYLKSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001291455904 1064021824 /nfs/dbraw/zinc/02/18/24/1064021824.db2.gz GLQHXCDLKCNCHQ-URXFXBBRSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[N@H+]2CCOC(C)(C)C2)n1Cc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC001291455904 1064021833 /nfs/dbraw/zinc/02/18/33/1064021833.db2.gz GLQHXCDLKCNCHQ-URXFXBBRSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001291455904 1064021836 /nfs/dbraw/zinc/02/18/36/1064021836.db2.gz GLQHXCDLKCNCHQ-URXFXBBRSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC[NH+]2CCOC(C)(C)C2)n1Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001291455904 1064021842 /nfs/dbraw/zinc/02/18/42/1064021842.db2.gz GLQHXCDLKCNCHQ-URXFXBBRSA-N 2 1 484.689 2.954 20 0 JFADMP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC[NH+](C(C)C)C(C)C ZINC001291470656 1064031516 /nfs/dbraw/zinc/03/15/16/1064031516.db2.gz SZRUPOLDNIGSGJ-XJUOHMSHSA-N 2 1 461.699 2.899 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001295982086 1064033665 /nfs/dbraw/zinc/03/36/65/1064033665.db2.gz WIYAIGDCWUOZPS-HKBOAZHASA-N 2 1 468.650 2.966 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC001295983171 1064037997 /nfs/dbraw/zinc/03/79/97/1064037997.db2.gz YOMJFHCIJOADGG-VABKMULXSA-N 2 1 496.704 2.546 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC001295996206 1064052399 /nfs/dbraw/zinc/05/23/99/1064052399.db2.gz NAHMRJHQBGLKNL-PMACEKPBSA-N 2 1 466.634 2.586 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001296008760 1064061848 /nfs/dbraw/zinc/06/18/48/1064061848.db2.gz BJQUSAMNUZENOB-ACRUOGEOSA-N 2 1 454.623 2.955 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296008816 1064062498 /nfs/dbraw/zinc/06/24/98/1064062498.db2.gz BPKRMYCXAWQLEG-AABGKKOBSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296008816 1064062508 /nfs/dbraw/zinc/06/25/08/1064062508.db2.gz BPKRMYCXAWQLEG-AABGKKOBSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001296008816 1064062518 /nfs/dbraw/zinc/06/25/18/1064062518.db2.gz BPKRMYCXAWQLEG-AABGKKOBSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296008819 1064062583 /nfs/dbraw/zinc/06/25/83/1064062583.db2.gz BPKRMYCXAWQLEG-AQNXPRMDSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296008819 1064062591 /nfs/dbraw/zinc/06/25/91/1064062591.db2.gz BPKRMYCXAWQLEG-AQNXPRMDSA-N 2 1 473.691 2.920 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296008819 1064062596 /nfs/dbraw/zinc/06/25/96/1064062596.db2.gz BPKRMYCXAWQLEG-AQNXPRMDSA-N 2 1 473.691 2.920 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296010584 1064068614 /nfs/dbraw/zinc/06/86/14/1064068614.db2.gz QQTJSJNOVYULIP-MSOLQXFVSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC001296011275 1064070682 /nfs/dbraw/zinc/07/06/82/1064070682.db2.gz UVDIKBFTZPTEDQ-JAXLGGSGSA-N 2 1 459.683 2.830 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCOC(C)C)C[C@@H]1C ZINC001296011358 1064071039 /nfs/dbraw/zinc/07/10/39/1064071039.db2.gz VEGDNXZMDUDKFP-ZEQRLZLVSA-N 2 1 483.705 2.987 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074047 /nfs/dbraw/zinc/07/40/47/1064074047.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 2 1 492.709 2.809 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074057 /nfs/dbraw/zinc/07/40/57/1064074057.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 2 1 492.709 2.809 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001296013580 1064074068 /nfs/dbraw/zinc/07/40/68/1064074068.db2.gz OEBRMOIGSFVZGX-FHEJEKGWSA-N 2 1 492.709 2.809 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[NH+]2CCCO)C[C@H]1C ZINC001296013856 1064075004 /nfs/dbraw/zinc/07/50/04/1064075004.db2.gz OUFKKQOBWFXDIH-HKBOAZHASA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@@H+]2CCCO)C[C@H]1C ZINC001296013856 1064075015 /nfs/dbraw/zinc/07/50/15/1064075015.db2.gz OUFKKQOBWFXDIH-HKBOAZHASA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CCCO)C[C@H]1C ZINC001296013856 1064075028 /nfs/dbraw/zinc/07/50/28/1064075028.db2.gz OUFKKQOBWFXDIH-HKBOAZHASA-N 2 1 474.625 2.762 20 0 JFADMP CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296036838 1064096499 /nfs/dbraw/zinc/09/64/99/1064096499.db2.gz MOJKCFMRGSNRCJ-KRWDZBQOSA-N 2 1 495.441 2.957 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296036838 1064096503 /nfs/dbraw/zinc/09/65/03/1064096503.db2.gz MOJKCFMRGSNRCJ-KRWDZBQOSA-N 2 1 495.441 2.957 20 0 JFADMP CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296062601 1064128232 /nfs/dbraw/zinc/12/82/32/1064128232.db2.gz SEETYHGKKUVGNW-IBGZPJMESA-N 2 1 464.561 2.799 20 0 JFADMP CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001296062601 1064128237 /nfs/dbraw/zinc/12/82/37/1064128237.db2.gz SEETYHGKKUVGNW-IBGZPJMESA-N 2 1 464.561 2.799 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001291620522 1064159861 /nfs/dbraw/zinc/15/98/61/1064159861.db2.gz JWCKOQONOFTNBH-YDHSSHFGSA-N 2 1 450.697 2.918 20 0 JFADMP CC[N@@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001296093756 1064166024 /nfs/dbraw/zinc/16/60/24/1064166024.db2.gz RAMVZOPUCZDNJI-HSZRJFAPSA-N 2 1 455.651 2.685 20 0 JFADMP CC[N@H+]1CCCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[NH+](CCOC(C)C)CC1 ZINC001296093756 1064166026 /nfs/dbraw/zinc/16/60/26/1064166026.db2.gz RAMVZOPUCZDNJI-HSZRJFAPSA-N 2 1 455.651 2.685 20 0 JFADMP CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291626804 1064167780 /nfs/dbraw/zinc/16/77/80/1064167780.db2.gz AJCPDMNAAAIFNJ-ISKFKSNPSA-N 2 1 483.705 2.673 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](CCOC)[C@H](C)C2)n1Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC001291642586 1064191768 /nfs/dbraw/zinc/19/17/68/1064191768.db2.gz LPUHSATYTUDIJA-FCHUYYIVSA-N 2 1 484.693 2.534 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC001296118738 1064201864 /nfs/dbraw/zinc/20/18/64/1064201864.db2.gz IYXTZONRVMUMEQ-VXKWHMMOSA-N 2 1 473.710 2.725 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296127606 1064221679 /nfs/dbraw/zinc/22/16/79/1064221679.db2.gz VLLYVLBHAYYGBY-OAQYLSRUSA-N 2 1 469.678 2.947 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130089 1064223810 /nfs/dbraw/zinc/22/38/10/1064223810.db2.gz BTHGKRKDSHIXFE-FQEVSTJZSA-N 2 1 488.750 2.970 20 0 JFADMP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130803 1064224126 /nfs/dbraw/zinc/22/41/26/1064224126.db2.gz GGBAMMYHXFJOMS-NRFANRHFSA-N 2 1 456.683 2.620 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296132796 1064232197 /nfs/dbraw/zinc/23/21/97/1064232197.db2.gz SAFXTISVWOIEHK-JOCHJYFZSA-N 2 1 468.694 2.985 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001296132796 1064232202 /nfs/dbraw/zinc/23/22/02/1064232202.db2.gz SAFXTISVWOIEHK-JOCHJYFZSA-N 2 1 468.694 2.985 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC001296132796 1064232211 /nfs/dbraw/zinc/23/22/11/1064232211.db2.gz SAFXTISVWOIEHK-JOCHJYFZSA-N 2 1 468.694 2.985 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001291758909 1064238857 /nfs/dbraw/zinc/23/88/57/1064238857.db2.gz CJLDGQMPDMMEFL-PMACEKPBSA-N 2 1 454.623 2.720 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001291762601 1064243914 /nfs/dbraw/zinc/24/39/14/1064243914.db2.gz YXOLBMRMNDIEAU-WOJBJXKFSA-N 2 1 454.623 2.720 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001291765700 1064246761 /nfs/dbraw/zinc/24/67/61/1064246761.db2.gz PIOUGDIGYHXALE-HXUWFJFHSA-N 2 1 480.665 2.962 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001291765700 1064246775 /nfs/dbraw/zinc/24/67/75/1064246775.db2.gz PIOUGDIGYHXALE-HXUWFJFHSA-N 2 1 480.665 2.962 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001291765700 1064246783 /nfs/dbraw/zinc/24/67/83/1064246783.db2.gz PIOUGDIGYHXALE-HXUWFJFHSA-N 2 1 480.665 2.962 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001291766424 1064248208 /nfs/dbraw/zinc/24/82/08/1064248208.db2.gz CZVIVNYAYKQERY-FQEVSTJZSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001291772454 1064255844 /nfs/dbraw/zinc/25/58/44/1064255844.db2.gz ONYJFHZVVMKJNM-LJQANCHMSA-N 2 1 480.661 2.889 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773413 1064258409 /nfs/dbraw/zinc/25/84/09/1064258409.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773413 1064258415 /nfs/dbraw/zinc/25/84/15/1064258415.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001291773413 1064258423 /nfs/dbraw/zinc/25/84/23/1064258423.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001291773413 1064258429 /nfs/dbraw/zinc/25/84/29/1064258429.db2.gz HIFDURPPYQZQHI-FYYLOGMGSA-N 2 1 488.702 2.623 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001296148283 1064259442 /nfs/dbraw/zinc/25/94/42/1064259442.db2.gz VNRZXYXTLIKGHR-WOJBJXKFSA-N 2 1 454.623 2.578 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[NH+](C)CCOC)C[C@H]1C ZINC001296149065 1064261314 /nfs/dbraw/zinc/26/13/14/1064261314.db2.gz HQKMPLAYSQVKLW-HXUWFJFHSA-N 2 1 451.619 2.992 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@H+](C)CCOC)C[C@H]1C ZINC001296149065 1064261323 /nfs/dbraw/zinc/26/13/23/1064261323.db2.gz HQKMPLAYSQVKLW-HXUWFJFHSA-N 2 1 451.619 2.992 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001296149017 1064261461 /nfs/dbraw/zinc/26/14/61/1064261461.db2.gz GFPSCBXAZMBVSL-GOSISDBHSA-N 2 1 460.648 2.542 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001291774667 1064263488 /nfs/dbraw/zinc/26/34/88/1064263488.db2.gz QBXLQCUTAUTNEX-RBBKRZOGSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001291774667 1064263496 /nfs/dbraw/zinc/26/34/96/1064263496.db2.gz QBXLQCUTAUTNEX-RBBKRZOGSA-N 2 1 458.655 2.696 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@H]2CCCCO2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001291774667 1064263504 /nfs/dbraw/zinc/26/35/04/1064263504.db2.gz QBXLQCUTAUTNEX-RBBKRZOGSA-N 2 1 458.655 2.696 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296154356 1064264441 /nfs/dbraw/zinc/26/44/41/1064264441.db2.gz LRERJYNECUQUTI-MSOLQXFVSA-N 2 1 477.451 2.959 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccccc3Br)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296154356 1064264451 /nfs/dbraw/zinc/26/44/51/1064264451.db2.gz LRERJYNECUQUTI-MSOLQXFVSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296154356 1064264457 /nfs/dbraw/zinc/26/44/57/1064264457.db2.gz LRERJYNECUQUTI-MSOLQXFVSA-N 2 1 477.451 2.959 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccccc3Br)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296154356 1064264464 /nfs/dbraw/zinc/26/44/64/1064264464.db2.gz LRERJYNECUQUTI-MSOLQXFVSA-N 2 1 477.451 2.959 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291781294 1064268533 /nfs/dbraw/zinc/26/85/33/1064268533.db2.gz DIIKHMYVAHTWDN-AZUAARDMSA-N 2 1 461.680 2.523 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291781294 1064268540 /nfs/dbraw/zinc/26/85/40/1064268540.db2.gz DIIKHMYVAHTWDN-AZUAARDMSA-N 2 1 461.680 2.523 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[C@H]1C ZINC001296157456 1064269858 /nfs/dbraw/zinc/26/98/58/1064269858.db2.gz XPEWBLWBJDVOKV-DYXWJJEUSA-N 2 1 453.635 2.889 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296169223 1064292772 /nfs/dbraw/zinc/29/27/72/1064292772.db2.gz KTQSUULOZHABHU-FQEVSTJZSA-N 2 1 459.708 2.734 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001296169223 1064292789 /nfs/dbraw/zinc/29/27/89/1064292789.db2.gz KTQSUULOZHABHU-FQEVSTJZSA-N 2 1 459.708 2.734 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001296169223 1064292799 /nfs/dbraw/zinc/29/27/99/1064292799.db2.gz KTQSUULOZHABHU-FQEVSTJZSA-N 2 1 459.708 2.734 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001296173754 1064298649 /nfs/dbraw/zinc/29/86/49/1064298649.db2.gz LOLGXZLEFADZSQ-OAQYLSRUSA-N 2 1 486.661 2.631 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296174206 1064300339 /nfs/dbraw/zinc/30/03/39/1064300339.db2.gz OJVLUBOLHPVXBZ-UNMCSNQZSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296174206 1064300354 /nfs/dbraw/zinc/30/03/54/1064300354.db2.gz OJVLUBOLHPVXBZ-UNMCSNQZSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296174204 1064300601 /nfs/dbraw/zinc/30/06/01/1064300601.db2.gz OJVLUBOLHPVXBZ-IRLDBZIGSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296174204 1064300614 /nfs/dbraw/zinc/30/06/14/1064300614.db2.gz OJVLUBOLHPVXBZ-IRLDBZIGSA-N 2 1 474.625 2.883 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C)n4)n3C[C@@H](C)[NH+](CC)CC)C2)CC1 ZINC001296181582 1064316171 /nfs/dbraw/zinc/31/61/71/1064316171.db2.gz YCANLLUHZWZZFK-FGZHOGPDSA-N 2 1 454.667 2.595 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001296182183 1064321919 /nfs/dbraw/zinc/32/19/19/1064321919.db2.gz ORSALDOIYKZMHJ-HSZRJFAPSA-N 2 1 483.705 2.970 20 0 JFADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001296182936 1064326177 /nfs/dbraw/zinc/32/61/77/1064326177.db2.gz BFIKBKOQHJUOCH-OAQYLSRUSA-N 2 1 487.693 2.667 20 0 JFADMP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001296182936 1064326181 /nfs/dbraw/zinc/32/61/81/1064326181.db2.gz BFIKBKOQHJUOCH-OAQYLSRUSA-N 2 1 487.693 2.667 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296190690 1064340333 /nfs/dbraw/zinc/34/03/33/1064340333.db2.gz DUQZMJXRMQZZNI-PWRODBHTSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296190690 1064340343 /nfs/dbraw/zinc/34/03/43/1064340343.db2.gz DUQZMJXRMQZZNI-PWRODBHTSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296190690 1064340358 /nfs/dbraw/zinc/34/03/58/1064340358.db2.gz DUQZMJXRMQZZNI-PWRODBHTSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296205214 1064390142 /nfs/dbraw/zinc/39/01/42/1064390142.db2.gz YQYHCJQAFNMGDK-UHFFFAOYSA-N 2 1 468.694 2.602 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291966823 1064581202 /nfs/dbraw/zinc/58/12/02/1064581202.db2.gz DGHPKTZYUYBZAW-PKTZIBPZSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291966823 1064581211 /nfs/dbraw/zinc/58/12/11/1064581211.db2.gz DGHPKTZYUYBZAW-PKTZIBPZSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291975535 1064590470 /nfs/dbraw/zinc/59/04/70/1064590470.db2.gz VEKPWILCGRBQFI-LEWJYISDSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291975535 1064590481 /nfs/dbraw/zinc/59/04/81/1064590481.db2.gz VEKPWILCGRBQFI-LEWJYISDSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291975536 1064590618 /nfs/dbraw/zinc/59/06/18/1064590618.db2.gz VEKPWILCGRBQFI-NHCUHLMSSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)[NH+](C)C ZINC001291975536 1064590634 /nfs/dbraw/zinc/59/06/34/1064590634.db2.gz VEKPWILCGRBQFI-NHCUHLMSSA-N 2 1 461.680 2.521 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[NH+](CC)C[C@@H]2C)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019368 1064657704 /nfs/dbraw/zinc/65/77/04/1064657704.db2.gz DVKXMAWIBILEJV-XSDIEEQYSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019368 1064657709 /nfs/dbraw/zinc/65/77/09/1064657709.db2.gz DVKXMAWIBILEJV-XSDIEEQYSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)n1CCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001292019368 1064657714 /nfs/dbraw/zinc/65/77/14/1064657714.db2.gz DVKXMAWIBILEJV-XSDIEEQYSA-N 2 1 477.698 2.615 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1CCC[NH+]1CCOCC1 ZINC001292124619 1064865867 /nfs/dbraw/zinc/86/58/67/1064865867.db2.gz GAELCKDEFPOTQI-UHFFFAOYSA-N 2 1 489.709 2.620 20 0 JFADMP CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1)[NH+]1CCCC1 ZINC001292162058 1064946912 /nfs/dbraw/zinc/94/69/12/1064946912.db2.gz IBDXXAPMTMFLCA-MZYLBHOOSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@@H](Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)C)CC1)OC ZINC001292242384 1065024867 /nfs/dbraw/zinc/02/48/67/1065024867.db2.gz JWFRYEKMMDKTNO-VWLOTQADSA-N 2 1 483.705 2.988 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@H+](C)C(C)C ZINC001292616048 1065350048 /nfs/dbraw/zinc/35/00/48/1065350048.db2.gz XTAGRIXMDYXSGV-QFIPXVFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CCC[N@@H+](C)C(C)C ZINC001292616048 1065350056 /nfs/dbraw/zinc/35/00/56/1065350056.db2.gz XTAGRIXMDYXSGV-QFIPXVFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCC[NH+](C)C(C)C ZINC001292616048 1065350067 /nfs/dbraw/zinc/35/00/67/1065350067.db2.gz XTAGRIXMDYXSGV-QFIPXVFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCC[NH+](C)C(C)C ZINC001292616048 1065350081 /nfs/dbraw/zinc/35/00/81/1065350081.db2.gz XTAGRIXMDYXSGV-QFIPXVFZSA-N 2 1 456.635 2.671 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@H](C)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001292616790 1065352231 /nfs/dbraw/zinc/35/22/31/1065352231.db2.gz XZEDZCBCGBSIRG-PKTZIBPZSA-N 2 1 483.705 2.976 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293131343 1065783149 /nfs/dbraw/zinc/78/31/49/1065783149.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@@H]1C ZINC001293131343 1065783161 /nfs/dbraw/zinc/78/31/61/1065783161.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@@H]1C ZINC001293131343 1065783177 /nfs/dbraw/zinc/78/31/77/1065783177.db2.gz OGQWJPZXRRQPTQ-ZEQRLZLVSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CC[NH+](CCOc3cccc(OC)c3)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001293139071 1065789819 /nfs/dbraw/zinc/78/98/19/1065789819.db2.gz YMHGMKXKLZBVNS-UHFFFAOYSA-N 2 1 488.702 2.878 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCOCC[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001293538855 1066056273 /nfs/dbraw/zinc/05/62/73/1066056273.db2.gz HNYBESREGASMJF-SIKLNZKXSA-N 2 1 477.053 2.724 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001293560322 1066074601 /nfs/dbraw/zinc/07/46/01/1066074601.db2.gz JEIJEMKZENBGDH-RPWUZVMVSA-N 2 1 470.662 2.849 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001293560317 1066074673 /nfs/dbraw/zinc/07/46/73/1066074673.db2.gz JEIJEMKZENBGDH-BJKOFHAPSA-N 2 1 470.662 2.849 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293562579 1066075720 /nfs/dbraw/zinc/07/57/20/1066075720.db2.gz VFGWTTFEQOXRRS-QPPBQGQZSA-N 2 1 458.676 2.929 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCOCC2(C)C)CC[N@@H+]1CCOC ZINC001293566937 1066080114 /nfs/dbraw/zinc/08/01/14/1066080114.db2.gz XKGOYKNBNDHPIB-JOCHJYFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[NH+]2CCOCC2(C)C)CC[N@H+]1CCOC ZINC001293566937 1066080125 /nfs/dbraw/zinc/08/01/25/1066080125.db2.gz XKGOYKNBNDHPIB-JOCHJYFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293566937 1066080135 /nfs/dbraw/zinc/08/01/35/1066080135.db2.gz XKGOYKNBNDHPIB-JOCHJYFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC[N@H+]2CCOCC2(C)C)CC[NH+]1CCOC ZINC001293566937 1066080149 /nfs/dbraw/zinc/08/01/49/1066080149.db2.gz XKGOYKNBNDHPIB-JOCHJYFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293577555 1066087783 /nfs/dbraw/zinc/08/77/83/1066087783.db2.gz FLKMZKLCBMJQEB-MQSCRBSSSA-N 2 1 455.651 2.926 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001293592611 1066098178 /nfs/dbraw/zinc/09/81/78/1066098178.db2.gz BVDBJTSNKUKMJC-DHIUTWEWSA-N 2 1 462.683 2.841 20 0 JFADMP CC[C@H]1CN(c2nnc(CC(C)(C)C)n2CC2([NH+](C)C)CCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC001293601197 1066117569 /nfs/dbraw/zinc/11/75/69/1066117569.db2.gz UPHCDGCFARUGMG-LEWJYISDSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001293606048 1066121913 /nfs/dbraw/zinc/12/19/13/1066121913.db2.gz FHJOQJUBXHFEFO-GPJHCHHRSA-N 2 1 462.683 2.523 20 0 JFADMP CC[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001293609099 1066124169 /nfs/dbraw/zinc/12/41/69/1066124169.db2.gz PSQLPSAFVADYIA-SVMVAKDDSA-N 2 1 462.589 2.644 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293609632 1066124728 /nfs/dbraw/zinc/12/47/28/1066124728.db2.gz RLCCTOTUKVDSLW-YTFSRNRJSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293609632 1066124734 /nfs/dbraw/zinc/12/47/34/1066124734.db2.gz RLCCTOTUKVDSLW-YTFSRNRJSA-N 2 1 462.683 2.525 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCCCC2)CC[N@H+]1CCOC ZINC001294076364 1066545440 /nfs/dbraw/zinc/54/54/40/1066545440.db2.gz JANBRLQHCVUQBL-OAQYLSRUSA-N 2 1 470.666 2.937 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001294077437 1066546857 /nfs/dbraw/zinc/54/68/57/1066546857.db2.gz PFIBYCQWSTWTMS-CVDCTZTESA-N 2 1 461.680 2.648 20 0 JFADMP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1nc(C[NH+]3CCCCC3)nc3sc4c(c31)CCC4)C2 ZINC001164415343 718885548 /nfs/dbraw/zinc/88/55/48/718885548.db2.gz GLMAEWBQZLKLCT-UHFFFAOYSA-N 2 1 464.643 2.856 20 0 JFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424084 718916107 /nfs/dbraw/zinc/91/61/07/718916107.db2.gz KUYFKKZRCPBSLR-CJAUYULYSA-N 2 1 471.671 2.997 20 0 JFADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164433721 718969238 /nfs/dbraw/zinc/96/92/38/718969238.db2.gz MYWPBGCUEXXIHO-XZOQPEGZSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164433721 718969245 /nfs/dbraw/zinc/96/92/45/718969245.db2.gz MYWPBGCUEXXIHO-XZOQPEGZSA-N 2 1 475.515 2.556 20 0 JFADMP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001164613958 719017600 /nfs/dbraw/zinc/01/76/00/719017600.db2.gz ARGVEQGFNCULOT-SZMVWBNQSA-N 2 1 455.628 2.896 20 0 JFADMP COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@H](CC(=O)NCC[NH+](C)C)c5ccccc54)CC3)c12 ZINC001164681579 719672501 /nfs/dbraw/zinc/67/25/01/719672501.db2.gz NCRWLRHKAQJUPR-SFHVURJKSA-N 2 1 490.608 2.838 20 0 JFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164716252 720121832 /nfs/dbraw/zinc/12/18/32/720121832.db2.gz JNPDWYUAXYBUFN-NRFANRHFSA-N 2 1 450.587 2.980 20 0 JFADMP COCCn1ccc2c1nc[nH+]c2N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1 ZINC001164716252 720121839 /nfs/dbraw/zinc/12/18/39/720121839.db2.gz JNPDWYUAXYBUFN-NRFANRHFSA-N 2 1 450.587 2.980 20 0 JFADMP Cn1nnc2c1CCN(c1[nH+]cnc3c1ccn3Cc1ccccc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719188 720186075 /nfs/dbraw/zinc/18/60/75/720186075.db2.gz UBDLOBCEAKCDCM-HSZRJFAPSA-N 2 1 472.597 2.824 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]cnc3c2ccn3COC(=O)C(C)(C)C)CC1 ZINC001164832992 720319075 /nfs/dbraw/zinc/31/90/75/720319075.db2.gz VFGRHOQCYZNJBF-SFTDATJTSA-N 2 1 482.629 2.890 20 0 JFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]21 ZINC001164840649 720600095 /nfs/dbraw/zinc/60/00/95/720600095.db2.gz QCSFIQUIQSVCPS-FSSWDIPSSA-N 2 1 465.650 2.646 20 0 JFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]21 ZINC001164840649 720600101 /nfs/dbraw/zinc/60/01/01/720600101.db2.gz QCSFIQUIQSVCPS-FSSWDIPSSA-N 2 1 465.650 2.646 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746691 720806869 /nfs/dbraw/zinc/80/68/69/720806869.db2.gz MPPOWKQIDBZODK-MSOLQXFVSA-N 2 1 462.932 2.789 20 0 JFADMP FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746691 720806873 /nfs/dbraw/zinc/80/68/73/720806873.db2.gz MPPOWKQIDBZODK-MSOLQXFVSA-N 2 1 462.932 2.789 20 0 JFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748180 720856299 /nfs/dbraw/zinc/85/62/99/720856299.db2.gz KWFPSXUYQURKGC-ZFGGDYGUSA-N 2 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2)CC1 ZINC001164748180 720856300 /nfs/dbraw/zinc/85/63/00/720856300.db2.gz KWFPSXUYQURKGC-ZFGGDYGUSA-N 3 1 451.619 2.526 20 0 JFADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c2)CC1 ZINC001164748180 720856301 /nfs/dbraw/zinc/85/63/01/720856301.db2.gz KWFPSXUYQURKGC-ZFGGDYGUSA-N 3 1 451.619 2.526 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccc[nH+]c1 ZINC001164754581 720876270 /nfs/dbraw/zinc/87/62/70/720876270.db2.gz SBGZXPKJRXSEQY-IBVKSMDESA-N 2 1 476.581 2.846 20 0 JFADMP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccc[nH+]c1 ZINC001164754581 720876272 /nfs/dbraw/zinc/87/62/72/720876272.db2.gz SBGZXPKJRXSEQY-IBVKSMDESA-N 2 1 476.581 2.846 20 0 JFADMP c1cncc(COC[C@H]2C[N@@H+](CC3CC3)C[C@@]23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164747864 720915184 /nfs/dbraw/zinc/91/51/84/720915184.db2.gz DPFXXTBUBWDUGY-YIXXDRMTSA-N 2 1 478.641 2.758 20 0 JFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)c12 ZINC001164788712 721454852 /nfs/dbraw/zinc/45/48/52/721454852.db2.gz SVHMKNHDRQEXLO-IBGZPJMESA-N 2 1 471.602 2.869 20 0 JFADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)c12 ZINC001164788712 721454853 /nfs/dbraw/zinc/45/48/53/721454853.db2.gz SVHMKNHDRQEXLO-IBGZPJMESA-N 2 1 471.602 2.869 20 0 JFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164790606 721469813 /nfs/dbraw/zinc/46/98/13/721469813.db2.gz SCLKAPDDFNUPGK-HSZRJFAPSA-N 2 1 473.662 2.589 20 0 JFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164790607 721470129 /nfs/dbraw/zinc/47/01/29/721470129.db2.gz SCLKAPDDFNUPGK-QHCPKHFHSA-N 2 1 473.662 2.589 20 0 JFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)C2)cc1 ZINC001164792653 721484179 /nfs/dbraw/zinc/48/41/79/721484179.db2.gz OETNCVBTXWSCTN-SFLYRZDNSA-N 2 1 457.582 2.588 20 0 JFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)C2)cc1 ZINC001164792653 721484184 /nfs/dbraw/zinc/48/41/84/721484184.db2.gz OETNCVBTXWSCTN-SFLYRZDNSA-N 2 1 457.582 2.588 20 0 JFADMP FC1(F)CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164913847 721733527 /nfs/dbraw/zinc/73/35/27/721733527.db2.gz YXZDJJIFJZGPAP-QHCPKHFHSA-N 2 1 458.557 2.988 20 0 JFADMP c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC3)C2)ccn1 ZINC001164964382 722062459 /nfs/dbraw/zinc/06/24/59/722062459.db2.gz FYYVPELBTGPEGJ-UHFFFAOYSA-N 2 1 451.615 2.974 20 0 JFADMP Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001289600477 1061244801 /nfs/dbraw/zinc/24/48/01/1061244801.db2.gz MOJSLMOTFQYAIB-OAQYLSRUSA-N 2 1 471.650 2.567 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](CC(C)C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286871172 1061270442 /nfs/dbraw/zinc/27/04/42/1061270442.db2.gz MQDMVGAKDHAEKA-ACIOBRDBSA-N 2 1 475.726 2.931 20 0 JFADMP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[N@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871689 1061273598 /nfs/dbraw/zinc/27/35/98/1061273598.db2.gz OWEGEUNXBXUNJX-UNMCSNQZSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871689 1061273617 /nfs/dbraw/zinc/27/36/17/1061273617.db2.gz OWEGEUNXBXUNJX-UNMCSNQZSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(C)(C)C)n3CCC[NH+](C)C(C)C)C[C@@H]2C)CC1 ZINC001286871689 1061273638 /nfs/dbraw/zinc/27/36/38/1061273638.db2.gz OWEGEUNXBXUNJX-UNMCSNQZSA-N 2 1 461.699 2.685 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886705 1061330802 /nfs/dbraw/zinc/33/08/02/1061330802.db2.gz HRVPQSJDUDYGBO-MVERNJQCSA-N 2 1 495.716 2.986 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886705 1061330822 /nfs/dbraw/zinc/33/08/22/1061330822.db2.gz HRVPQSJDUDYGBO-MVERNJQCSA-N 2 1 495.716 2.986 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886976 1061332768 /nfs/dbraw/zinc/33/27/68/1061332768.db2.gz LIEWYTHLPYXJSJ-RDGATRHJSA-N 2 1 481.689 2.912 20 0 JFADMP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@H]2C)CC1 ZINC001286886976 1061332787 /nfs/dbraw/zinc/33/27/87/1061332787.db2.gz LIEWYTHLPYXJSJ-RDGATRHJSA-N 2 1 481.689 2.912 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886977 1061333063 /nfs/dbraw/zinc/33/30/63/1061333063.db2.gz LIEWYTHLPYXJSJ-WIOPSUGQSA-N 2 1 481.689 2.912 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CCC[N@@H+](C)Cc3ccccc3)C[C@@H]2C)CC1 ZINC001286886977 1061333077 /nfs/dbraw/zinc/33/30/77/1061333077.db2.gz LIEWYTHLPYXJSJ-WIOPSUGQSA-N 2 1 481.689 2.912 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](CC(C)C)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)cc1C ZINC001289743327 1061360004 /nfs/dbraw/zinc/36/00/04/1061360004.db2.gz NSKDGFMZBUOGHP-DEOSSOPVSA-N 2 1 497.688 2.772 20 0 JFADMP Cc1cccc(-c2nnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2CCOCC[NH+](C)C)n1 ZINC001289974001 1061686420 /nfs/dbraw/zinc/68/64/20/1061686420.db2.gz XXHCOKLESHXHLE-UHFFFAOYSA-N 2 1 463.630 2.939 20 0 JFADMP CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001294223696 1061734386 /nfs/dbraw/zinc/73/43/86/1061734386.db2.gz JAYJJTAAYUOQSU-QHCPKHFHSA-N 2 1 472.682 2.924 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001294223696 1061734406 /nfs/dbraw/zinc/73/44/06/1061734406.db2.gz JAYJJTAAYUOQSU-QHCPKHFHSA-N 2 1 472.682 2.924 20 0 JFADMP CCCC[N@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294227134 1061741181 /nfs/dbraw/zinc/74/11/81/1061741181.db2.gz ATHBPKYSESIIEI-WIYYLYMNSA-N 2 1 461.680 2.523 20 0 JFADMP CCCC[N@@H+](C)CCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001294227134 1061741207 /nfs/dbraw/zinc/74/12/07/1061741207.db2.gz ATHBPKYSESIIEI-WIYYLYMNSA-N 2 1 461.680 2.523 20 0 JFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC001294300769 1061789474 /nfs/dbraw/zinc/78/94/74/1061789474.db2.gz YNQQVSZMCWNGLA-UHFFFAOYSA-N 2 1 456.631 2.847 20 0 JFADMP CCCC[N@H+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001294317258 1061813974 /nfs/dbraw/zinc/81/39/74/1061813974.db2.gz KLZHLXUZGXJKFT-QFIPXVFZSA-N 2 1 459.683 2.976 20 0 JFADMP CCCC[NH+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001294317258 1061813990 /nfs/dbraw/zinc/81/39/90/1061813990.db2.gz KLZHLXUZGXJKFT-QFIPXVFZSA-N 2 1 459.683 2.976 20 0 JFADMP CCCC[NH+]1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001294317258 1061814013 /nfs/dbraw/zinc/81/40/13/1061814013.db2.gz KLZHLXUZGXJKFT-QFIPXVFZSA-N 2 1 459.683 2.976 20 0 JFADMP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3sccc3C2)C1 ZINC001294453549 1061997788 /nfs/dbraw/zinc/99/77/88/1061997788.db2.gz ABXAHWWVSIWHRX-IBGZPJMESA-N 2 1 473.691 2.704 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3sccc3C2)C1 ZINC001294453549 1061997816 /nfs/dbraw/zinc/99/78/16/1061997816.db2.gz ABXAHWWVSIWHRX-IBGZPJMESA-N 2 1 473.691 2.704 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001294453549 1061997830 /nfs/dbraw/zinc/99/78/30/1061997830.db2.gz ABXAHWWVSIWHRX-IBGZPJMESA-N 2 1 473.691 2.704 20 0 JFADMP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001294453549 1061997846 /nfs/dbraw/zinc/99/78/46/1061997846.db2.gz ABXAHWWVSIWHRX-IBGZPJMESA-N 2 1 473.691 2.704 20 0 JFADMP CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001287043795 1062016452 /nfs/dbraw/zinc/01/64/52/1062016452.db2.gz LVTUWKBAYAOPER-UHFFFAOYSA-N 2 1 470.662 2.931 20 0 JFADMP CC(C)(C)[NH+]1CCN(c2nnc(CCOc3ccccc3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001287043795 1062016474 /nfs/dbraw/zinc/01/64/74/1062016474.db2.gz LVTUWKBAYAOPER-UHFFFAOYSA-N 2 1 470.662 2.931 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467590 1062016898 /nfs/dbraw/zinc/01/68/98/1062016898.db2.gz HTNHWVXTZAHEIJ-PMVMPFDFSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001294524142 1062061599 /nfs/dbraw/zinc/06/15/99/1062061599.db2.gz MRIJIPDIFNJVDD-UHFFFAOYSA-N 2 1 466.638 2.573 20 0 JFADMP CCC[N@@H+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC001294527087 1062063084 /nfs/dbraw/zinc/06/30/84/1062063084.db2.gz LUOFYSKWEUVNRR-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001294527087 1062063105 /nfs/dbraw/zinc/06/31/05/1062063105.db2.gz LUOFYSKWEUVNRR-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CCC[NH+](CC)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC001294527087 1062063128 /nfs/dbraw/zinc/06/31/28/1062063128.db2.gz LUOFYSKWEUVNRR-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cs1 ZINC001290417052 1062140734 /nfs/dbraw/zinc/14/07/34/1062140734.db2.gz GLFLFXQRYMYQDT-UHFFFAOYSA-N 2 1 461.680 2.711 20 0 JFADMP Cc1nc(Cc2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cs1 ZINC001290417052 1062140742 /nfs/dbraw/zinc/14/07/42/1062140742.db2.gz GLFLFXQRYMYQDT-UHFFFAOYSA-N 2 1 461.680 2.711 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294675054 1062235692 /nfs/dbraw/zinc/23/56/92/1062235692.db2.gz FGPMBAACZDXUMP-SANMLTNESA-N 2 1 492.709 2.740 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294675054 1062235714 /nfs/dbraw/zinc/23/57/14/1062235714.db2.gz FGPMBAACZDXUMP-SANMLTNESA-N 2 1 492.709 2.740 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001294675600 1062236778 /nfs/dbraw/zinc/23/67/78/1062236778.db2.gz LBHLXVGCDPFAMK-CLOONOSVSA-N 2 1 474.625 2.934 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001294682894 1062241477 /nfs/dbraw/zinc/24/14/77/1062241477.db2.gz KDHODSWMULYJDR-FQEVSTJZSA-N 2 1 480.723 2.755 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(-c3ccc[nH]3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001294684349 1062243617 /nfs/dbraw/zinc/24/36/17/1062243617.db2.gz OUYPLVBHKUYIEW-UHFFFAOYSA-N 2 1 456.683 2.857 20 0 JFADMP Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC001290503805 1062300012 /nfs/dbraw/zinc/30/00/12/1062300012.db2.gz LWYXUFRONDPEJI-UHFFFAOYSA-N 2 1 456.639 2.856 20 0 JFADMP Cc1[nH+]ccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC001290503805 1062300035 /nfs/dbraw/zinc/30/00/35/1062300035.db2.gz LWYXUFRONDPEJI-UHFFFAOYSA-N 2 1 456.639 2.856 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2CC[NH+]2CCSCC2)n1 ZINC001290625463 1062495322 /nfs/dbraw/zinc/49/53/22/1062495322.db2.gz LGCKLPRVKYWKIJ-UHFFFAOYSA-N 2 1 474.723 2.745 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2C[C@@H](C)[NH+](C)C)n1 ZINC001290639116 1062523026 /nfs/dbraw/zinc/52/30/26/1062523026.db2.gz HGYKHRREOJNKFD-JOCHJYFZSA-N 2 1 450.635 2.802 20 0 JFADMP Cc1cc(C)n(Cc2nnc(N3CC[NH+](CCOC(C)C)CC3)n2C[C@@H](C)[NH+]2CCC(C)CC2)n1 ZINC001290648383 1062544965 /nfs/dbraw/zinc/54/49/65/1062544965.db2.gz UCAGVUOPPYFSNH-XMMPIXPASA-N 2 1 486.709 2.807 20 0 JFADMP CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCOCC1 ZINC001287157989 1062549100 /nfs/dbraw/zinc/54/91/00/1062549100.db2.gz BHXGEHBEYPNDRR-QHCPKHFHSA-N 2 1 476.710 2.772 20 0 JFADMP CC(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CC[NH+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287159173 1062554916 /nfs/dbraw/zinc/55/49/16/1062554916.db2.gz BKAJPGMPMDVBSJ-JOCHJYFZSA-N 2 1 455.651 2.541 20 0 JFADMP CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287163489 1062570006 /nfs/dbraw/zinc/57/00/06/1062570006.db2.gz WGKAHDLHDTXKND-HSZRJFAPSA-N 2 1 469.678 2.931 20 0 JFADMP CC(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC001287163489 1062570027 /nfs/dbraw/zinc/57/00/27/1062570027.db2.gz WGKAHDLHDTXKND-HSZRJFAPSA-N 2 1 469.678 2.931 20 0 JFADMP Cc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001290769746 1062685395 /nfs/dbraw/zinc/68/53/95/1062685395.db2.gz KZRLJAKFWCNSJO-OAQYLSRUSA-N 2 1 473.710 2.916 20 0 JFADMP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287219491 1062702253 /nfs/dbraw/zinc/70/22/53/1062702253.db2.gz QBSJDQZEKPORNE-JOCHJYFZSA-N 2 1 470.662 2.838 20 0 JFADMP CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001287219493 1062702381 /nfs/dbraw/zinc/70/23/81/1062702381.db2.gz QBSJDQZEKPORNE-QFIPXVFZSA-N 2 1 470.662 2.838 20 0 JFADMP CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001287222392 1062708262 /nfs/dbraw/zinc/70/82/62/1062708262.db2.gz CYENPEUJGLODCD-QHCPKHFHSA-N 2 1 475.726 2.897 20 0 JFADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC001290806800 1062709384 /nfs/dbraw/zinc/70/93/84/1062709384.db2.gz YEIDRICYCDZZGU-AREMUKBSSA-N 2 1 450.627 2.914 20 0 JFADMP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)CC2)c1 ZINC001290806800 1062709412 /nfs/dbraw/zinc/70/94/12/1062709412.db2.gz YEIDRICYCDZZGU-AREMUKBSSA-N 2 1 450.627 2.914 20 0 JFADMP Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1C[C@H]1[NH+](C)CCCC1(C)C ZINC001290877395 1062762202 /nfs/dbraw/zinc/76/22/02/1062762202.db2.gz VRZCGRCMHYJMKH-XMMPIXPASA-N 2 1 453.679 2.961 20 0 JFADMP Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001290877395 1062762217 /nfs/dbraw/zinc/76/22/17/1062762217.db2.gz VRZCGRCMHYJMKH-XMMPIXPASA-N 2 1 453.679 2.961 20 0 JFADMP Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001290877395 1062762237 /nfs/dbraw/zinc/76/22/37/1062762237.db2.gz VRZCGRCMHYJMKH-XMMPIXPASA-N 2 1 453.679 2.961 20 0 JFADMP CC[N@@H+](C)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC([NH2+]C(C)C)CC2)c1 ZINC001295126698 1062942929 /nfs/dbraw/zinc/94/29/29/1062942929.db2.gz IICWESNAABYURN-QFIPXVFZSA-N 2 1 453.635 2.696 20 0 JFADMP CC(C)[NH+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1)C(C)C ZINC001291061946 1062998757 /nfs/dbraw/zinc/99/87/57/1062998757.db2.gz FFAQJPCANSUIHI-OOMBGRCJSA-N 2 1 494.750 3.000 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001291103370 1063080638 /nfs/dbraw/zinc/08/06/38/1063080638.db2.gz CQRBNYHWFCGWSE-VQTJNVASSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CC[NH+](Cc3ccsc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001291103370 1063080661 /nfs/dbraw/zinc/08/06/61/1063080661.db2.gz CQRBNYHWFCGWSE-VQTJNVASSA-N 2 1 473.691 2.920 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)CC1 ZINC001287759675 1063085987 /nfs/dbraw/zinc/08/59/87/1063085987.db2.gz DLKPSTYMWKDZPT-UHFFFAOYSA-N 2 1 452.607 2.712 20 0 JFADMP C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001291105358 1063087227 /nfs/dbraw/zinc/08/72/27/1063087227.db2.gz IBEJNAOROMYOJE-RTWAWAEBSA-N 2 1 472.682 2.594 20 0 JFADMP C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC001291105358 1063087249 /nfs/dbraw/zinc/08/72/49/1063087249.db2.gz IBEJNAOROMYOJE-RTWAWAEBSA-N 2 1 472.682 2.594 20 0 JFADMP CC(C)NC(=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001291123610 1063138363 /nfs/dbraw/zinc/13/83/63/1063138363.db2.gz NWXIVUZXDXNVDZ-VXKWHMMOSA-N 2 1 459.683 2.993 20 0 JFADMP C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC001291128496 1063164049 /nfs/dbraw/zinc/16/40/49/1063164049.db2.gz YDESSBPYSKZSLF-IBGZPJMESA-N 2 1 498.598 2.502 20 0 JFADMP C[C@@H]1CCC[N@H+](CCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291129954 1063175538 /nfs/dbraw/zinc/17/55/38/1063175538.db2.gz XUHGJXIDSACNNN-JOCHJYFZSA-N 2 1 469.678 2.790 20 0 JFADMP C[C@@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC001291129954 1063175563 /nfs/dbraw/zinc/17/55/63/1063175563.db2.gz XUHGJXIDSACNNN-JOCHJYFZSA-N 2 1 469.678 2.790 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001295326886 1063218005 /nfs/dbraw/zinc/21/80/05/1063218005.db2.gz FLCOAEXOCBYRRD-UHFFFAOYSA-N 2 1 496.704 2.985 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccn3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001295326886 1063218025 /nfs/dbraw/zinc/21/80/25/1063218025.db2.gz FLCOAEXOCBYRRD-UHFFFAOYSA-N 2 1 496.704 2.985 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001295327538 1063224415 /nfs/dbraw/zinc/22/44/15/1063224415.db2.gz WPKZABPUHAHZSA-JOCHJYFZSA-N 2 1 467.662 2.810 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccccc3)n2CC[NH+]2CCC[C@H]2C)CC1 ZINC001295327538 1063224434 /nfs/dbraw/zinc/22/44/34/1063224434.db2.gz WPKZABPUHAHZSA-JOCHJYFZSA-N 2 1 467.662 2.810 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001295327538 1063224451 /nfs/dbraw/zinc/22/44/51/1063224451.db2.gz WPKZABPUHAHZSA-JOCHJYFZSA-N 2 1 467.662 2.810 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001295327538 1063224473 /nfs/dbraw/zinc/22/44/73/1063224473.db2.gz WPKZABPUHAHZSA-JOCHJYFZSA-N 2 1 467.662 2.810 20 0 JFADMP C[C@H]1C[NH+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCC[N@H+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001291187970 1063299766 /nfs/dbraw/zinc/29/97/66/1063299766.db2.gz BZBWOLHIZUFSBR-SFTDATJTSA-N 2 1 489.709 2.599 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001295359458 1063319603 /nfs/dbraw/zinc/31/96/03/1063319603.db2.gz YRHUIFGBOAVLTL-ACIOBRDBSA-N 2 1 467.662 2.715 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001295359459 1063320075 /nfs/dbraw/zinc/32/00/75/1063320075.db2.gz YRHUIFGBOAVLTL-MZYLBHOOSA-N 2 1 467.662 2.715 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001295366161 1063329483 /nfs/dbraw/zinc/32/94/83/1063329483.db2.gz NFSMQCUMCIHMTN-OALUTQOASA-N 2 1 462.664 2.609 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001295367030 1063331166 /nfs/dbraw/zinc/33/11/66/1063331166.db2.gz RVYVTCGWCWRPIH-VAMGGRTRSA-N 2 1 476.691 2.998 20 0 JFADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@H](C)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001291210210 1063386803 /nfs/dbraw/zinc/38/68/03/1063386803.db2.gz YBLKAOJDMPUSBF-SQJMNOBHSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210210 1063386822 /nfs/dbraw/zinc/38/68/22/1063386822.db2.gz YBLKAOJDMPUSBF-SQJMNOBHSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210210 1063386851 /nfs/dbraw/zinc/38/68/51/1063386851.db2.gz YBLKAOJDMPUSBF-SQJMNOBHSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295465503 1063470230 /nfs/dbraw/zinc/47/02/30/1063470230.db2.gz XTPOUPZUSAHMMN-DEOSSOPVSA-N 2 1 477.053 2.984 20 0 JFADMP CC[NH+](CC)C1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001295474748 1063483139 /nfs/dbraw/zinc/48/31/39/1063483139.db2.gz GQNFWOLWFFQRCY-RUZDIDTESA-N 2 1 456.635 2.543 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001295490923 1063519364 /nfs/dbraw/zinc/51/93/64/1063519364.db2.gz JJTFRPWVGHBUEA-SZPZYZBQSA-N 2 1 487.737 2.978 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCC[C@H]2C)C1 ZINC001295503271 1063538553 /nfs/dbraw/zinc/53/85/53/1063538553.db2.gz KROJHAKPGDMHDV-YADHBBJMSA-N 2 1 459.683 2.947 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001295509349 1063544957 /nfs/dbraw/zinc/54/49/57/1063544957.db2.gz VFZBJBHJTLGSET-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001295509349 1063544974 /nfs/dbraw/zinc/54/49/74/1063544974.db2.gz VFZBJBHJTLGSET-ROUUACIJSA-N 2 1 494.482 2.925 20 0 JFADMP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001295523831 1063561019 /nfs/dbraw/zinc/56/10/19/1063561019.db2.gz ZSJBBDLVFWIKHB-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001295527300 1063565407 /nfs/dbraw/zinc/56/54/07/1063565407.db2.gz GZIZKRITJRMKGR-LJQANCHMSA-N 2 1 463.026 2.860 20 0 JFADMP CC[NH+](CC)CCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001295527300 1063565422 /nfs/dbraw/zinc/56/54/22/1063565422.db2.gz GZIZKRITJRMKGR-LJQANCHMSA-N 2 1 463.026 2.860 20 0 JFADMP C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001291275090 1063581766 /nfs/dbraw/zinc/58/17/66/1063581766.db2.gz MMXRFBJLXDWEPX-FYYLOGMGSA-N 2 1 470.662 2.644 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC001295550932 1063583717 /nfs/dbraw/zinc/58/37/17/1063583717.db2.gz OMZGQYWPURCLDR-JOCHJYFZSA-N 2 1 497.688 2.884 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001295830069 1063842730 /nfs/dbraw/zinc/84/27/30/1063842730.db2.gz LDZAODKSIFFSAR-ICSRJNTNSA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C(C)C ZINC001295830069 1063842747 /nfs/dbraw/zinc/84/27/47/1063842747.db2.gz LDZAODKSIFFSAR-ICSRJNTNSA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)CCC(F)(F)F ZINC001295839866 1063859054 /nfs/dbraw/zinc/85/90/54/1063859054.db2.gz ZKVAVSGPISDTGJ-GOSISDBHSA-N 2 1 469.556 2.706 20 0 JFADMP CC[N@@H+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[NH+](C(C)C)CC1)C(C)C ZINC001295842304 1063862252 /nfs/dbraw/zinc/86/22/52/1063862252.db2.gz VBYMJPRKJMLWDW-UHFFFAOYSA-N 2 1 490.722 2.889 20 0 JFADMP CC[NH+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC001295842304 1063862260 /nfs/dbraw/zinc/86/22/60/1063862260.db2.gz VBYMJPRKJMLWDW-UHFFFAOYSA-N 2 1 490.722 2.889 20 0 JFADMP CC[NH+](CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[N@H+](C(C)C)CC1)C(C)C ZINC001295842304 1063862272 /nfs/dbraw/zinc/86/22/72/1063862272.db2.gz VBYMJPRKJMLWDW-UHFFFAOYSA-N 2 1 490.722 2.889 20 0 JFADMP CC[N@H+](CCn1c(C2CCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001295845144 1063865404 /nfs/dbraw/zinc/86/54/04/1063865404.db2.gz JKPSBEUMKHELAR-GOSISDBHSA-N 2 1 458.573 2.978 20 0 JFADMP CC[N@@H+](CCn1c(C2CCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CCC(F)(F)F ZINC001295845144 1063865416 /nfs/dbraw/zinc/86/54/16/1063865416.db2.gz JKPSBEUMKHELAR-GOSISDBHSA-N 2 1 458.573 2.978 20 0 JFADMP CC[N@@H+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC001295853877 1063881599 /nfs/dbraw/zinc/88/15/99/1063881599.db2.gz BFPMIUFXWBQUFK-DEOSSOPVSA-N 2 1 481.689 2.650 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC001295853877 1063881611 /nfs/dbraw/zinc/88/16/11/1063881611.db2.gz BFPMIUFXWBQUFK-DEOSSOPVSA-N 2 1 481.689 2.650 20 0 JFADMP CC[NH+](CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C(C)C ZINC001295853877 1063881619 /nfs/dbraw/zinc/88/16/19/1063881619.db2.gz BFPMIUFXWBQUFK-DEOSSOPVSA-N 2 1 481.689 2.650 20 0 JFADMP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC001295866405 1063900885 /nfs/dbraw/zinc/90/08/85/1063900885.db2.gz LKFXQTKTQQCJNY-UHFFFAOYSA-N 2 1 459.664 2.515 20 0 JFADMP CC[N@@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC001295866405 1063900892 /nfs/dbraw/zinc/90/08/92/1063900892.db2.gz LKFXQTKTQQCJNY-UHFFFAOYSA-N 2 1 459.664 2.515 20 0 JFADMP CC[C@H](C)c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001291438043 1064017927 /nfs/dbraw/zinc/01/79/27/1064017927.db2.gz WEJHICARNVBGOD-FQEVSTJZSA-N 2 1 450.672 2.697 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCCCC2)C[C@H]1C ZINC001295975245 1064018804 /nfs/dbraw/zinc/01/88/04/1064018804.db2.gz BHYDVERGVCEFJD-WOJBJXKFSA-N 2 1 454.623 2.720 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@H]1C ZINC001295978632 1064025429 /nfs/dbraw/zinc/02/54/29/1064025429.db2.gz MXKOKQWMUSEGHX-AABGKKOBSA-N 2 1 456.639 2.821 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@@H]1C ZINC001296003436 1064059005 /nfs/dbraw/zinc/05/90/05/1064059005.db2.gz UEWGTFFORHWLSD-VXKWHMMOSA-N 2 1 454.663 2.943 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008353 1064061771 /nfs/dbraw/zinc/06/17/71/1064061771.db2.gz GYXXXSIRGFPKLJ-QNWVGRARSA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008353 1064061773 /nfs/dbraw/zinc/06/17/73/1064061773.db2.gz GYXXXSIRGFPKLJ-QNWVGRARSA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008353 1064061778 /nfs/dbraw/zinc/06/17/78/1064061778.db2.gz GYXXXSIRGFPKLJ-QNWVGRARSA-N 2 1 455.651 2.540 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001296008787 1064061956 /nfs/dbraw/zinc/06/19/56/1064061956.db2.gz BJQUSAMNUZENOB-PCCBWWKXSA-N 2 1 454.623 2.955 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009926 1064067582 /nfs/dbraw/zinc/06/75/82/1064067582.db2.gz NVBDUFSHGDYFGY-IPJJNNNSSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296009926 1064067591 /nfs/dbraw/zinc/06/75/91/1064067591.db2.gz NVBDUFSHGDYFGY-IPJJNNNSSA-N 2 1 475.707 2.910 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001296011469 1064071632 /nfs/dbraw/zinc/07/16/32/1064071632.db2.gz PNPQAZTWYBDXQL-FGZHOGPDSA-N 2 1 486.709 2.948 20 0 JFADMP CC[NH+]1CCC(CCn2c(C)nnc2N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001296021096 1064082024 /nfs/dbraw/zinc/08/20/24/1064082024.db2.gz FNWINZBIIFDJGH-UHFFFAOYSA-N 2 1 453.679 2.963 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[NH+](CC)[C@H](C)C2)C1 ZINC001296033723 1064092253 /nfs/dbraw/zinc/09/22/53/1064092253.db2.gz NUBVRHADRWUTGP-UYAOXDASSA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC001296033723 1064092266 /nfs/dbraw/zinc/09/22/66/1064092266.db2.gz NUBVRHADRWUTGP-UYAOXDASSA-N 2 1 474.053 2.734 20 0 JFADMP CC[NH+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC001296033723 1064092281 /nfs/dbraw/zinc/09/22/81/1064092281.db2.gz NUBVRHADRWUTGP-UYAOXDASSA-N 2 1 474.053 2.734 20 0 JFADMP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+](C)C1CCCCC1 ZINC001291582836 1064114885 /nfs/dbraw/zinc/11/48/85/1064114885.db2.gz MTLOLDRGGADDGC-OAQYLSRUSA-N 2 1 459.683 2.801 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001291620252 1064158816 /nfs/dbraw/zinc/15/88/16/1064158816.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620252 1064158817 /nfs/dbraw/zinc/15/88/17/1064158817.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001291620252 1064158818 /nfs/dbraw/zinc/15/88/18/1064158818.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001291620252 1064158819 /nfs/dbraw/zinc/15/88/19/1064158819.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001291620252 1064158820 /nfs/dbraw/zinc/15/88/20/1064158820.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620252 1064158821 /nfs/dbraw/zinc/15/88/21/1064158821.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C)C(C)(C)C1 ZINC001291620252 1064158822 /nfs/dbraw/zinc/15/88/22/1064158822.db2.gz HXWCTLNHABTDGH-SFTDATJTSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001296119487 1064204795 /nfs/dbraw/zinc/20/47/95/1064204795.db2.gz VLXXEHMRFQSLKO-JOCHJYFZSA-N 2 1 459.683 2.656 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001296119487 1064204804 /nfs/dbraw/zinc/20/48/04/1064204804.db2.gz VLXXEHMRFQSLKO-JOCHJYFZSA-N 2 1 459.683 2.656 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296132228 1064228887 /nfs/dbraw/zinc/22/88/87/1064228887.db2.gz RYHRQAJAZKMLRE-OAQYLSRUSA-N 2 1 459.708 2.877 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296132228 1064228891 /nfs/dbraw/zinc/22/88/91/1064228891.db2.gz RYHRQAJAZKMLRE-OAQYLSRUSA-N 2 1 459.708 2.877 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296132228 1064228900 /nfs/dbraw/zinc/22/89/00/1064228900.db2.gz RYHRQAJAZKMLRE-OAQYLSRUSA-N 2 1 459.708 2.877 20 0 JFADMP CC[NH+]1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296134829 1064237222 /nfs/dbraw/zinc/23/72/22/1064237222.db2.gz QZMWDKHIKFKBHZ-YTFSRNRJSA-N 2 1 499.704 2.811 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC001296137473 1064243775 /nfs/dbraw/zinc/24/37/75/1064243775.db2.gz PJBAEJZSCOHETQ-LEWJYISDSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137473 1064243786 /nfs/dbraw/zinc/24/37/86/1064243786.db2.gz PJBAEJZSCOHETQ-LEWJYISDSA-N 2 1 455.651 2.857 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001296137473 1064243795 /nfs/dbraw/zinc/24/37/95/1064243795.db2.gz PJBAEJZSCOHETQ-LEWJYISDSA-N 2 1 455.651 2.857 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001291766675 1064248044 /nfs/dbraw/zinc/24/80/44/1064248044.db2.gz DYLLLMPHPFGVFX-LEWJYISDSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291767948 1064250347 /nfs/dbraw/zinc/25/03/47/1064250347.db2.gz PJWNQHURDOIBOG-JOCHJYFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291767948 1064250350 /nfs/dbraw/zinc/25/03/50/1064250350.db2.gz PJWNQHURDOIBOG-JOCHJYFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291767948 1064250353 /nfs/dbraw/zinc/25/03/53/1064250353.db2.gz PJWNQHURDOIBOG-JOCHJYFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2ccccc2OC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291767948 1064250357 /nfs/dbraw/zinc/25/03/57/1064250357.db2.gz PJWNQHURDOIBOG-JOCHJYFZSA-N 2 1 497.688 2.819 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001291771441 1064254348 /nfs/dbraw/zinc/25/43/48/1064254348.db2.gz FMEXBUVEWHISHV-NRFANRHFSA-N 2 1 455.651 2.927 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296145090 1064254899 /nfs/dbraw/zinc/25/48/99/1064254899.db2.gz LIRRBWCIKIVCRP-LEWJYISDSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296145090 1064254905 /nfs/dbraw/zinc/25/49/05/1064254905.db2.gz LIRRBWCIKIVCRP-LEWJYISDSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC001296145090 1064254916 /nfs/dbraw/zinc/25/49/16/1064254916.db2.gz LIRRBWCIKIVCRP-LEWJYISDSA-N 2 1 468.650 2.968 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001296145921 1064256356 /nfs/dbraw/zinc/25/63/56/1064256356.db2.gz HCXSTCTXFFGCJB-LJQANCHMSA-N 2 1 472.634 2.604 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001296148725 1064260762 /nfs/dbraw/zinc/26/07/62/1064260762.db2.gz ZUIWDRGCPDWHKZ-OFNKIYASSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296148725 1064260769 /nfs/dbraw/zinc/26/07/69/1064260769.db2.gz ZUIWDRGCPDWHKZ-OFNKIYASSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC001296148725 1064260774 /nfs/dbraw/zinc/26/07/74/1064260774.db2.gz ZUIWDRGCPDWHKZ-OFNKIYASSA-N 2 1 456.635 2.841 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001296148610 1064260788 /nfs/dbraw/zinc/26/07/88/1064260788.db2.gz AEVXXAFVMKBNHK-LEWJYISDSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001296148610 1064260793 /nfs/dbraw/zinc/26/07/93/1064260793.db2.gz AEVXXAFVMKBNHK-LEWJYISDSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001296148610 1064260798 /nfs/dbraw/zinc/26/07/98/1064260798.db2.gz AEVXXAFVMKBNHK-LEWJYISDSA-N 2 1 486.661 2.994 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001291774021 1064261278 /nfs/dbraw/zinc/26/12/78/1064261278.db2.gz WQTZUZMBPOJHJX-IBGZPJMESA-N 2 1 480.661 2.843 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001296156936 1064269048 /nfs/dbraw/zinc/26/90/48/1064269048.db2.gz DDPPLTVYGATLOE-ACRUOGEOSA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001296156936 1064269059 /nfs/dbraw/zinc/26/90/59/1064269059.db2.gz DDPPLTVYGATLOE-ACRUOGEOSA-N 2 1 491.681 2.601 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC[N@H+]2CCC[C@@H]2C)C[C@@H]1C ZINC001296156936 1064269072 /nfs/dbraw/zinc/26/90/72/1064269072.db2.gz DDPPLTVYGATLOE-ACRUOGEOSA-N 2 1 491.681 2.601 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001291782475 1064271790 /nfs/dbraw/zinc/27/17/90/1064271790.db2.gz PGPILCHCQHTZMV-UPVQGACJSA-N 2 1 468.694 2.599 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[NH+]2CCCC[C@H]2C1 ZINC001291783414 1064276558 /nfs/dbraw/zinc/27/65/58/1064276558.db2.gz LHQSFXNWECAYAK-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001291783414 1064276571 /nfs/dbraw/zinc/27/65/71/1064276571.db2.gz LHQSFXNWECAYAK-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296163215 1064276582 /nfs/dbraw/zinc/27/65/82/1064276582.db2.gz RYHPANOYUNZNRJ-QHCPKHFHSA-N 2 1 467.706 2.981 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001291783414 1064276585 /nfs/dbraw/zinc/27/65/85/1064276585.db2.gz LHQSFXNWECAYAK-MOPGFXCFSA-N 2 1 459.664 2.674 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001296163215 1064276600 /nfs/dbraw/zinc/27/66/00/1064276600.db2.gz RYHPANOYUNZNRJ-QHCPKHFHSA-N 2 1 467.706 2.981 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001296163215 1064276614 /nfs/dbraw/zinc/27/66/14/1064276614.db2.gz RYHPANOYUNZNRJ-QHCPKHFHSA-N 2 1 467.706 2.981 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001296162832 1064276663 /nfs/dbraw/zinc/27/66/63/1064276663.db2.gz PXZOMKDUIOLBPQ-NRFANRHFSA-N 2 1 471.669 2.812 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001296162832 1064276675 /nfs/dbraw/zinc/27/66/75/1064276675.db2.gz PXZOMKDUIOLBPQ-NRFANRHFSA-N 2 1 471.669 2.812 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001296162832 1064276686 /nfs/dbraw/zinc/27/66/86/1064276686.db2.gz PXZOMKDUIOLBPQ-NRFANRHFSA-N 2 1 471.669 2.812 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296165857 1064286216 /nfs/dbraw/zinc/28/62/16/1064286216.db2.gz BHXYVAANFRTOPQ-VWNXMTODSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001296165857 1064286231 /nfs/dbraw/zinc/28/62/31/1064286231.db2.gz BHXYVAANFRTOPQ-VWNXMTODSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290786 /nfs/dbraw/zinc/29/07/86/1064290786.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290793 /nfs/dbraw/zinc/29/07/93/1064290793.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 2 1 470.662 2.787 20 0 JFADMP CC[NH+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296167877 1064290806 /nfs/dbraw/zinc/29/08/06/1064290806.db2.gz VHXJMGUGQLQJLQ-LADGPHEKSA-N 2 1 470.662 2.787 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001296173696 1064298120 /nfs/dbraw/zinc/29/81/20/1064298120.db2.gz KCVVBAZKZZAYOO-LUKWVAJMSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001296173696 1064298130 /nfs/dbraw/zinc/29/81/30/1064298130.db2.gz KCVVBAZKZZAYOO-LUKWVAJMSA-N 2 1 462.683 2.901 20 0 JFADMP CC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001296173696 1064298138 /nfs/dbraw/zinc/29/81/38/1064298138.db2.gz KCVVBAZKZZAYOO-LUKWVAJMSA-N 2 1 462.683 2.901 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296174205 1064300731 /nfs/dbraw/zinc/30/07/31/1064300731.db2.gz OJVLUBOLHPVXBZ-RBBKRZOGSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296174205 1064300747 /nfs/dbraw/zinc/30/07/47/1064300747.db2.gz OJVLUBOLHPVXBZ-RBBKRZOGSA-N 2 1 474.625 2.883 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296175240 1064303776 /nfs/dbraw/zinc/30/37/76/1064303776.db2.gz VUQAHJHTMAXAQW-FQEVSTJZSA-N 2 1 472.634 2.507 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296190688 1064339543 /nfs/dbraw/zinc/33/95/43/1064339543.db2.gz DUQZMJXRMQZZNI-PCCBWWKXSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296190688 1064339555 /nfs/dbraw/zinc/33/95/55/1064339555.db2.gz DUQZMJXRMQZZNI-PCCBWWKXSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296190688 1064339564 /nfs/dbraw/zinc/33/95/64/1064339564.db2.gz DUQZMJXRMQZZNI-PCCBWWKXSA-N 2 1 488.750 2.826 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296193724 1064352579 /nfs/dbraw/zinc/35/25/79/1064352579.db2.gz PPKHTULIPOEQKM-HXUWFJFHSA-N 2 1 488.750 2.828 20 0 JFADMP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195664 1064362499 /nfs/dbraw/zinc/36/24/99/1064362499.db2.gz WXWZCXUVRKBLFF-XZOQPEGZSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195664 1064362504 /nfs/dbraw/zinc/36/25/04/1064362504.db2.gz WXWZCXUVRKBLFF-XZOQPEGZSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195664 1064362510 /nfs/dbraw/zinc/36/25/10/1064362510.db2.gz WXWZCXUVRKBLFF-XZOQPEGZSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(-c3cccc(OC)c3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001296197106 1064372648 /nfs/dbraw/zinc/37/26/48/1064372648.db2.gz UBFKTXBANDNZGM-UHFFFAOYSA-N 2 1 469.678 2.902 20 0 JFADMP CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001296206366 1064395466 /nfs/dbraw/zinc/39/54/66/1064395466.db2.gz OQFGKYICUVDAQD-UHFFFAOYSA-N 2 1 469.678 2.948 20 0 JFADMP CC[C@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@@H+](C)C(C)C)c1ccccc1 ZINC001291888801 1064513075 /nfs/dbraw/zinc/51/30/75/1064513075.db2.gz RGLZEQDUZHZWFK-BJKOFHAPSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888801 1064513087 /nfs/dbraw/zinc/51/30/87/1064513087.db2.gz RGLZEQDUZHZWFK-BJKOFHAPSA-N 2 1 481.689 2.903 20 0 JFADMP CC[C@H](c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CC[NH+](C)C(C)C)c1ccccc1 ZINC001291888801 1064513100 /nfs/dbraw/zinc/51/31/00/1064513100.db2.gz RGLZEQDUZHZWFK-BJKOFHAPSA-N 2 1 481.689 2.903 20 0 JFADMP Cc1cccc(N2CC[NH+](CCC(=O)NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)CC2)c1 ZINC001296281098 1064552312 /nfs/dbraw/zinc/55/23/12/1064552312.db2.gz SNZYQWAFQCTPJI-AREMUKBSSA-N 2 1 450.627 2.780 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291966822 1064581171 /nfs/dbraw/zinc/58/11/71/1064581171.db2.gz DGHPKTZYUYBZAW-GOTSBHOMSA-N 2 1 470.662 2.765 20 0 JFADMP CCC(CC)[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)[NH+](C)C ZINC001291966822 1064581182 /nfs/dbraw/zinc/58/11/82/1064581182.db2.gz DGHPKTZYUYBZAW-GOTSBHOMSA-N 2 1 470.662 2.765 20 0 JFADMP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001292003860 1064623555 /nfs/dbraw/zinc/62/35/55/1064623555.db2.gz DTIIDFDUMNCAMA-NRFANRHFSA-N 2 1 450.649 2.930 20 0 JFADMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC001292003860 1064623561 /nfs/dbraw/zinc/62/35/61/1064623561.db2.gz DTIIDFDUMNCAMA-NRFANRHFSA-N 2 1 450.649 2.930 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CC1CC[NH+](CCC(C)C)CC1 ZINC001292893142 1065592532 /nfs/dbraw/zinc/59/25/32/1065592532.db2.gz LHSSXWWGVIHIAJ-RCZVLFRGSA-N 2 1 487.737 2.978 20 0 JFADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001292894341 1065595511 /nfs/dbraw/zinc/59/55/11/1065595511.db2.gz WXWWLHBFPJWCLV-IGKWTDBASA-N 2 1 485.652 2.661 20 0 JFADMP CCc1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC001292894372 1065595827 /nfs/dbraw/zinc/59/58/27/1065595827.db2.gz XGNUJDGLIJFDTG-KHUIQGCPSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894372 1065595839 /nfs/dbraw/zinc/59/58/39/1065595839.db2.gz XGNUJDGLIJFDTG-KHUIQGCPSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2C[C@H]([NH+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001292894372 1065595851 /nfs/dbraw/zinc/59/58/51/1065595851.db2.gz XGNUJDGLIJFDTG-KHUIQGCPSA-N 2 1 487.737 2.976 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001293093734 1065742512 /nfs/dbraw/zinc/74/25/12/1065742512.db2.gz IXLNUMQSLRGZNJ-IRLDBZIGSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001293093734 1065742527 /nfs/dbraw/zinc/74/25/27/1065742527.db2.gz IXLNUMQSLRGZNJ-IRLDBZIGSA-N 2 1 456.635 2.579 20 0 JFADMP CCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1Cc1cccc(OCC[NH+](C)C)c1 ZINC001293117119 1065764363 /nfs/dbraw/zinc/76/43/63/1065764363.db2.gz WTQQOHBBXVLLQP-FQEVSTJZSA-N 2 1 456.635 2.519 20 0 JFADMP CCc1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001293123106 1065775752 /nfs/dbraw/zinc/77/57/52/1065775752.db2.gz FGIYTCBPZYYKOK-JOCHJYFZSA-N 2 1 470.662 2.667 20 0 JFADMP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)cc1 ZINC001293203497 1065831000 /nfs/dbraw/zinc/83/10/00/1065831000.db2.gz JOXSACLUFNZHJM-BDYUSTAISA-N 2 1 451.611 2.824 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CC2([NH+](C)C)CCOCC2)CC[N@H+]1CCOC ZINC001293563439 1066076739 /nfs/dbraw/zinc/07/67/39/1066076739.db2.gz AKVNYRMEOWRBBK-JOCHJYFZSA-N 2 1 470.662 2.911 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001293569141 1066081446 /nfs/dbraw/zinc/08/14/46/1066081446.db2.gz UPSBIAIPHKKATH-HXUWFJFHSA-N 2 1 456.635 2.985 20 0 JFADMP CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)[NH+](CC)CC)C[C@H]1[NH+]1CCOCC1 ZINC001293577556 1066087809 /nfs/dbraw/zinc/08/78/09/1066087809.db2.gz FLKMZKLCBMJQEB-QZNHQXDQSA-N 2 1 455.651 2.926 20 0 JFADMP CC[C@@H]1CN(c2nnc(C3CCCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@H+]1CCOC ZINC001293588196 1066096730 /nfs/dbraw/zinc/09/67/30/1066096730.db2.gz USFTYVHLSULDRO-QNWVGRARSA-N 2 1 462.683 2.982 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293609631 1066124807 /nfs/dbraw/zinc/12/48/07/1066124807.db2.gz RLCCTOTUKVDSLW-DNVJHFABSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC(C)C)n2CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC001293609631 1066124811 /nfs/dbraw/zinc/12/48/11/1066124811.db2.gz RLCCTOTUKVDSLW-DNVJHFABSA-N 2 1 462.683 2.525 20 0 JFADMP CC[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@H+]1CCOC ZINC001293624121 1066140176 /nfs/dbraw/zinc/14/01/76/1066140176.db2.gz VCNHIZYLQKGIDR-ZJSXRUAMSA-N 2 1 464.724 2.995 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1CCOC ZINC001294066947 1066537249 /nfs/dbraw/zinc/53/72/49/1066537249.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[NH+]2CCOC(C)(C)C2)CC[N@H+]1CCOC ZINC001294066947 1066537253 /nfs/dbraw/zinc/53/72/53/1066537253.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001294066947 1066537256 /nfs/dbraw/zinc/53/72/56/1066537256.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2CC[N@H+]2CCOC(C)(C)C2)CC[NH+]1CCOC ZINC001294066947 1066537263 /nfs/dbraw/zinc/53/72/63/1066537263.db2.gz JAFXMSSVBOEPPH-OAQYLSRUSA-N 2 1 474.650 2.894 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CC=CCC2)CC[N@H+]1CCOC ZINC001294086899 1066558397 /nfs/dbraw/zinc/55/83/97/1066558397.db2.gz ZWYOXEKYWCGLHE-QFIPXVFZSA-N 2 1 453.635 2.848 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001294086899 1066558408 /nfs/dbraw/zinc/55/84/08/1066558408.db2.gz ZWYOXEKYWCGLHE-QFIPXVFZSA-N 2 1 453.635 2.848 20 0 JFADMP CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CC=CCC2)CC[NH+]1CCOC ZINC001294086899 1066558414 /nfs/dbraw/zinc/55/84/14/1066558414.db2.gz ZWYOXEKYWCGLHE-QFIPXVFZSA-N 2 1 453.635 2.848 20 0 JFADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c23)C1 ZINC001164424083 718915969 /nfs/dbraw/zinc/91/59/69/718915969.db2.gz KUYFKKZRCPBSLR-BVZFJXPGSA-N 2 1 471.671 2.997 20 0 JFADMP CC(C)N(C)Cc1nn(-c2nccc(NC(=O)C(C)(C)C)c2C[N@H+]2CC[C@H](CO)C2)c2c1CC[NH2+]C2 ZINC001164681796 719632195 /nfs/dbraw/zinc/63/21/95/719632195.db2.gz KPRKTWGAIHCOIC-IBGZPJMESA-N 2 1 497.688 2.552 20 0 JFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164710796 720151605 /nfs/dbraw/zinc/15/16/05/720151605.db2.gz CSTQCYYNFYZIIT-HSZRJFAPSA-N 2 1 466.630 2.758 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164822562 720313775 /nfs/dbraw/zinc/31/37/75/720313775.db2.gz NAJWURPFPSCMHC-IZZNHLLZSA-N 2 1 474.653 2.946 20 0 JFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC001164822562 720313781 /nfs/dbraw/zinc/31/37/81/720313781.db2.gz NAJWURPFPSCMHC-IZZNHLLZSA-N 2 1 474.653 2.946 20 0 JFADMP CN(C)C(=O)c1cc2c[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)nc2n1C1CCCC1 ZINC001164730808 720515262 /nfs/dbraw/zinc/51/52/62/720515262.db2.gz TYYGHSSVFHJELV-QGZVFWFLSA-N 2 1 450.591 2.643 20 0 JFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]21 ZINC001164840646 720601352 /nfs/dbraw/zinc/60/13/52/720601352.db2.gz QCSFIQUIQSVCPS-FKBYEOEOSA-N 2 1 465.650 2.646 20 0 JFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC[C@@H]21 ZINC001164840646 720601366 /nfs/dbraw/zinc/60/13/66/720601366.db2.gz QCSFIQUIQSVCPS-FKBYEOEOSA-N 2 1 465.650 2.646 20 0 JFADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)C1 ZINC001164875786 721287300 /nfs/dbraw/zinc/28/73/00/721287300.db2.gz GSYYJXWEDWKFMW-UHFFFAOYSA-N 2 1 451.615 2.842 20 0 JFADMP C[NH+](C)CCOc1ccc(/C=C/C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC001264765165 1059667992 /nfs/dbraw/zinc/66/79/92/1059667992.db2.gz MUWCLZAXGICUOS-MDWZMJQESA-N 2 1 450.583 2.595 20 0 JFADMP Cc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)n2CC[NH+](C(C)C)C(C)C)o1 ZINC001289595807 1061239551 /nfs/dbraw/zinc/23/95/51/1061239551.db2.gz RLQHOQCNSIVAAE-NRFANRHFSA-N 2 1 471.650 2.708 20 0 JFADMP Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CC2CCN(CC[NH+](C)C)CC2)o1 ZINC001289599675 1061243404 /nfs/dbraw/zinc/24/34/04/1061243404.db2.gz CPSDAYYXCBPELG-UHFFFAOYSA-N 2 1 457.667 2.898 20 0 JFADMP Cc1ccc(-c2nnc(N3CC[NH+](CC(C)C)CC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC001289600476 1061244720 /nfs/dbraw/zinc/24/47/20/1061244720.db2.gz MOJSLMOTFQYAIB-NRFANRHFSA-N 2 1 471.650 2.567 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286869916 1061263635 /nfs/dbraw/zinc/26/36/35/1061263635.db2.gz GQKXPWKBXIUUTK-MQSCRBSSSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286869916 1061263654 /nfs/dbraw/zinc/26/36/54/1061263654.db2.gz GQKXPWKBXIUUTK-MQSCRBSSSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+]3CCC[C@@H](C)C3)C[C@H]2C)CC1 ZINC001286869916 1061263671 /nfs/dbraw/zinc/26/36/71/1061263671.db2.gz GQKXPWKBXIUUTK-MQSCRBSSSA-N 2 1 459.683 2.512 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(-c4ccccn4)n3CC[NH+](C(C)C)C(C)C)C[C@H]2C)CC1 ZINC001286870300 1061265318 /nfs/dbraw/zinc/26/53/18/1061265318.db2.gz IPMUTQYBLQHSKQ-RDGATRHJSA-N 2 1 496.704 2.838 20 0 JFADMP CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(C)C)n3CC[NH+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872781 1061281133 /nfs/dbraw/zinc/28/11/33/1061281133.db2.gz XWXRCYBBXLLCDB-NZQKXSOJSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872781 1061281149 /nfs/dbraw/zinc/28/11/49/1061281149.db2.gz XWXRCYBBXLLCDB-NZQKXSOJSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3CC[N@@H+](C)C3CCCC3)C[C@@H]2C)CC1 ZINC001286872781 1061281170 /nfs/dbraw/zinc/28/11/70/1061281170.db2.gz XWXRCYBBXLLCDB-NZQKXSOJSA-N 2 1 459.683 2.655 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](C)C[NH+]3CCCCC3)C[C@H]2C)CC1 ZINC001286886147 1061327559 /nfs/dbraw/zinc/32/75/59/1061327559.db2.gz AXONABBZLCUCNO-QZNHQXDQSA-N 2 1 473.710 2.686 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@H](C)[NH+](C)C)cc1C ZINC001289722108 1061330297 /nfs/dbraw/zinc/33/02/97/1061330297.db2.gz XHIPBMZRMWZIBI-NRFANRHFSA-N 2 1 485.677 2.892 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2C[C@@H](C)[NH+](C)C)cc1C ZINC001289722109 1061330376 /nfs/dbraw/zinc/33/03/76/1061330376.db2.gz XHIPBMZRMWZIBI-OAQYLSRUSA-N 2 1 485.677 2.892 20 0 JFADMP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccccc4Cl)n3C[C@H](C)[NH+](C)C)C[C@@H]2C)CC1 ZINC001286888399 1061341061 /nfs/dbraw/zinc/34/10/61/1061341061.db2.gz YJIKUHSAZLYIIL-NPPFBWRTSA-N 2 1 474.053 2.537 20 0 JFADMP Cc1ccc(NC(=O)c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[NH+]2CCSCC2)cc1C ZINC001289741228 1061356349 /nfs/dbraw/zinc/35/63/49/1061356349.db2.gz TZFBKPCWYRCUPP-UHFFFAOYSA-N 2 1 471.675 2.726 20 0 JFADMP Cc1ccc(OCc2nnc(N3CCC(C[N@H+](C)C(C)C)CC3)n2C[C@@]2(O)CC[NH+](C)C2)cc1 ZINC001289798814 1061432650 /nfs/dbraw/zinc/43/26/50/1061432650.db2.gz AEZONRARJBFRNZ-AREMUKBSSA-N 2 1 470.662 2.789 20 0 JFADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC001289798814 1061432654 /nfs/dbraw/zinc/43/26/54/1061432654.db2.gz AEZONRARJBFRNZ-AREMUKBSSA-N 2 1 470.662 2.789 20 0 JFADMP Cc1ccc(OCc2nnc(N3CCC(C[NH+](C)C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001289798814 1061432658 /nfs/dbraw/zinc/43/26/58/1061432658.db2.gz AEZONRARJBFRNZ-AREMUKBSSA-N 2 1 470.662 2.789 20 0 JFADMP Cc1cccc(-c2nnc(N(C)CC(C)(C)C[NH+]3CCOCC3)n2CCC[NH+]2CCCC2)n1 ZINC001289912935 1061605817 /nfs/dbraw/zinc/60/58/17/1061605817.db2.gz PIEYNEJPWYBVBZ-UHFFFAOYSA-N 2 1 455.651 2.929 20 0 JFADMP CCCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001294226270 1061739003 /nfs/dbraw/zinc/73/90/03/1061739003.db2.gz RNNJPIOOIDLVKY-DHIUTWEWSA-N 2 1 494.750 2.860 20 0 JFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[NH+](C)C2)C1 ZINC001294460567 1062008238 /nfs/dbraw/zinc/00/82/38/1062008238.db2.gz GSGSQUPXRMOHQI-JPYJTQIMSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@H+](C)C2)C1 ZINC001294460567 1062008261 /nfs/dbraw/zinc/00/82/61/1062008261.db2.gz GSGSQUPXRMOHQI-JPYJTQIMSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[NH+](C)C[C@H]1CCN(c2nnc(-c3ccccc3Br)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001294460567 1062008290 /nfs/dbraw/zinc/00/82/90/1062008290.db2.gz GSGSQUPXRMOHQI-JPYJTQIMSA-N 2 1 491.478 2.942 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)[NH+](C)C)C1 ZINC001294467547 1062016188 /nfs/dbraw/zinc/01/61/88/1062016188.db2.gz GUSUQKFCJMXGFB-SFTDATJTSA-N 2 1 469.682 2.570 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467589 1062016765 /nfs/dbraw/zinc/01/67/65/1062016765.db2.gz HTNHWVXTZAHEIJ-MDNUFGMLSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC001294467591 1062017120 /nfs/dbraw/zinc/01/71/20/1062017120.db2.gz HTNHWVXTZAHEIJ-WWNPGLIZSA-N 2 1 494.750 2.859 20 0 JFADMP CC(C)(C)[N@H+]1CCCN(c2nnc(Cc3ccccn3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287046522 1062029551 /nfs/dbraw/zinc/02/95/51/1062029551.db2.gz SPMVHBFIXVXQQA-UHFFFAOYSA-N 2 1 455.651 2.687 20 0 JFADMP CCC[N@@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294505786 1062042468 /nfs/dbraw/zinc/04/24/68/1062042468.db2.gz MZXGICLDLMOMGX-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP CCC[NH+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294505786 1062042492 /nfs/dbraw/zinc/04/24/92/1062042492.db2.gz MZXGICLDLMOMGX-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP CCC[NH+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001294505786 1062042515 /nfs/dbraw/zinc/04/25/15/1062042515.db2.gz MZXGICLDLMOMGX-SZPZYZBQSA-N 2 1 489.709 2.572 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001294515620 1062052188 /nfs/dbraw/zinc/05/21/88/1062052188.db2.gz IRZLMIWEVAOHTM-JOCHJYFZSA-N 2 1 454.667 2.597 20 0 JFADMP CCC[N@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001294515620 1062052206 /nfs/dbraw/zinc/05/22/06/1062052206.db2.gz IRZLMIWEVAOHTM-JOCHJYFZSA-N 2 1 454.667 2.597 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001294515620 1062052226 /nfs/dbraw/zinc/05/22/26/1062052226.db2.gz IRZLMIWEVAOHTM-JOCHJYFZSA-N 2 1 454.667 2.597 20 0 JFADMP CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001294516490 1062054495 /nfs/dbraw/zinc/05/44/95/1062054495.db2.gz UEIPANVCYXUGGK-IBGZPJMESA-N 2 1 476.695 2.501 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001294516490 1062054516 /nfs/dbraw/zinc/05/45/16/1062054516.db2.gz UEIPANVCYXUGGK-IBGZPJMESA-N 2 1 476.695 2.501 20 0 JFADMP CCC[NH+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001294516490 1062054539 /nfs/dbraw/zinc/05/45/39/1062054539.db2.gz UEIPANVCYXUGGK-IBGZPJMESA-N 2 1 476.695 2.501 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001294519895 1062056538 /nfs/dbraw/zinc/05/65/38/1062056538.db2.gz GTJXHJDUVMSBGB-XZOQPEGZSA-N 2 1 494.750 2.860 20 0 JFADMP CCC[N@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001294528583 1062064686 /nfs/dbraw/zinc/06/46/86/1062064686.db2.gz DRLNNOLERHRUAP-RTWAWAEBSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[N@@H+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001294528583 1062064706 /nfs/dbraw/zinc/06/47/06/1062064706.db2.gz DRLNNOLERHRUAP-RTWAWAEBSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[NH+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001294528583 1062064725 /nfs/dbraw/zinc/06/47/25/1062064725.db2.gz DRLNNOLERHRUAP-RTWAWAEBSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[NH+](CC)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001294528583 1062064745 /nfs/dbraw/zinc/06/47/45/1062064745.db2.gz DRLNNOLERHRUAP-RTWAWAEBSA-N 2 1 491.681 2.603 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001294631994 1062139009 /nfs/dbraw/zinc/13/90/09/1062139009.db2.gz DXMCEFKKGPJLJI-ATKRNPRHSA-N 2 1 459.683 2.849 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C[C@H](CC(C)C)[NH+](C)C)cs1 ZINC001290417849 1062148546 /nfs/dbraw/zinc/14/85/46/1062148546.db2.gz PULMSYNOMWFXTK-IRLDBZIGSA-N 2 1 475.707 2.769 20 0 JFADMP CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001294638967 1062152965 /nfs/dbraw/zinc/15/29/65/1062152965.db2.gz RNXLRTOOPCIGNB-DPLHUUCSSA-N 2 1 473.710 2.902 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC001294645707 1062174276 /nfs/dbraw/zinc/17/42/76/1062174276.db2.gz FJJUFSIAGVYRLE-RBUKOAKNSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC001294645707 1062174287 /nfs/dbraw/zinc/17/42/87/1062174287.db2.gz FJJUFSIAGVYRLE-RBUKOAKNSA-N 2 1 462.042 2.882 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC001294645707 1062174295 /nfs/dbraw/zinc/17/42/95/1062174295.db2.gz FJJUFSIAGVYRLE-RBUKOAKNSA-N 2 1 462.042 2.882 20 0 JFADMP Cc1nc(Cc2nnc(N3CC[NH+](C(C)C)CC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)cs1 ZINC001290430952 1062188722 /nfs/dbraw/zinc/18/87/22/1062188722.db2.gz FGXBZUHTSZXFAI-NRFANRHFSA-N 2 1 461.680 2.521 20 0 JFADMP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001294659751 1062208450 /nfs/dbraw/zinc/20/84/50/1062208450.db2.gz XSWQYWGAZBLPEE-QPPBQGQZSA-N 2 1 487.737 2.978 20 0 JFADMP CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001294659756 1062208545 /nfs/dbraw/zinc/20/85/45/1062208545.db2.gz XSWQYWGAZBLPEE-XUZZJYLKSA-N 2 1 487.737 2.978 20 0 JFADMP CCC[N@H+]1CC[C@@H](Cn2c(N3CCN(C[C@H]4C[NH+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224628 /nfs/dbraw/zinc/22/46/28/1062224628.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCN(C[C@H]4C[N@@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224644 /nfs/dbraw/zinc/22/46/44/1062224644.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CC[C@@H](Cn2c(N3CCN(C[C@H]4C[N@H+](C(C)C)CCO4)CC3)nnc2C(C)(C)C)C1 ZINC001294668771 1062224660 /nfs/dbraw/zinc/22/46/60/1062224660.db2.gz CMQBTBBZTQYQCK-PKTZIBPZSA-N 2 1 475.726 2.539 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001294675053 1062235586 /nfs/dbraw/zinc/23/55/86/1062235586.db2.gz FGPMBAACZDXUMP-AREMUKBSSA-N 2 1 492.709 2.740 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001294675053 1062235597 /nfs/dbraw/zinc/23/55/97/1062235597.db2.gz FGPMBAACZDXUMP-AREMUKBSSA-N 2 1 492.709 2.740 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001294684219 1062243837 /nfs/dbraw/zinc/24/38/37/1062243837.db2.gz UDHBEPPLZUAIBA-YADHBBJMSA-N 2 1 494.750 2.859 20 0 JFADMP CCC[NH+]1CCC(N(C)c2nnc(Cc3ccccn3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001294687841 1062248199 /nfs/dbraw/zinc/24/81/99/1062248199.db2.gz RJFPSFVHOUFRFX-XMMPIXPASA-N 2 1 469.678 2.931 20 0 JFADMP CC(C)(O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001287100192 1062308965 /nfs/dbraw/zinc/30/89/65/1062308965.db2.gz DUGBBEBLWIQFKT-UHFFFAOYSA-N 2 1 483.705 2.724 20 0 JFADMP CC(C)[C@H](Cn1c(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001287163264 1062568431 /nfs/dbraw/zinc/56/84/31/1062568431.db2.gz CIUOFVZOKXJFMZ-RPWUZVMVSA-N 2 1 489.753 2.927 20 0 JFADMP CC(C)c1nnc(N2CCC([NH+]3CCCCC3)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001287200567 1062638328 /nfs/dbraw/zinc/63/83/28/1062638328.db2.gz FVAXRYFQIFSFJT-JOCHJYFZSA-N 2 1 459.683 2.799 20 0 JFADMP CC(C)c1nnc(N2CCC(OCC[NH+]3CCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001287201311 1062641387 /nfs/dbraw/zinc/64/13/87/1062641387.db2.gz DMTVFOCZOWUFRL-HSZRJFAPSA-N 2 1 462.683 2.840 20 0 JFADMP CC(C)c1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1CCCC[NH+]1CCOCC1 ZINC001287225188 1062713104 /nfs/dbraw/zinc/71/31/04/1062713104.db2.gz WSADIRSQQXBOAG-ZRZAMGCNSA-N 2 1 461.699 2.509 20 0 JFADMP CC(C)C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)[NH+](C)C ZINC001287329180 1062805310 /nfs/dbraw/zinc/80/53/10/1062805310.db2.gz RTRJEACWAUDNSP-RPBOFIJWSA-N 2 1 498.720 2.548 20 0 JFADMP CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287333318 1062810891 /nfs/dbraw/zinc/81/08/91/1062810891.db2.gz UCXSMEXCXVWHPE-ZCNNSNEGSA-N 2 1 489.665 2.528 20 0 JFADMP CC(C)C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC001287333318 1062810916 /nfs/dbraw/zinc/81/09/16/1062810916.db2.gz UCXSMEXCXVWHPE-ZCNNSNEGSA-N 2 1 489.665 2.528 20 0 JFADMP CC(C)C[C@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001287334834 1062812633 /nfs/dbraw/zinc/81/26/33/1062812633.db2.gz SGLUEJWTFKMYOZ-RDGATRHJSA-N 2 1 455.651 2.541 20 0 JFADMP CC(C)C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)[NH+](C)C ZINC001287334830 1062812718 /nfs/dbraw/zinc/81/27/18/1062812718.db2.gz SGLUEJWTFKMYOZ-DHLKQENFSA-N 2 1 455.651 2.541 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001287461763 1062900080 /nfs/dbraw/zinc/90/00/80/1062900080.db2.gz CARUNYMZHDMOPL-ZLNRFVROSA-N 2 1 487.737 2.976 20 0 JFADMP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001287463155 1062904971 /nfs/dbraw/zinc/90/49/71/1062904971.db2.gz WIAAIBGWFSPXBZ-AOJNWGRGSA-N 2 1 473.710 2.730 20 0 JFADMP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001287748653 1063072435 /nfs/dbraw/zinc/07/24/35/1063072435.db2.gz AVUGXRKIGSBSDP-JYFHCDHNSA-N 2 1 492.709 2.598 20 0 JFADMP C[C@H]1CCC[N@@H+]1CCn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140201 1063207121 /nfs/dbraw/zinc/20/71/21/1063207121.db2.gz SOTQXHPKYBBJEF-FCHUYYIVSA-N 2 1 470.662 2.622 20 0 JFADMP C[C@H]1CCC[N@H+]1CCn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnc1C(C)(C)C ZINC001291140201 1063207144 /nfs/dbraw/zinc/20/71/44/1063207144.db2.gz SOTQXHPKYBBJEF-FCHUYYIVSA-N 2 1 470.662 2.622 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[NH+]2CC)CC1 ZINC001295333823 1063233189 /nfs/dbraw/zinc/23/31/89/1063233189.db2.gz BFHIGAPBFACHSN-JOCHJYFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[NH+]2CC)CC1 ZINC001295333823 1063233193 /nfs/dbraw/zinc/23/31/93/1063233193.db2.gz BFHIGAPBFACHSN-JOCHJYFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001295333823 1063233213 /nfs/dbraw/zinc/23/32/13/1063233213.db2.gz BFHIGAPBFACHSN-JOCHJYFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001295333823 1063233232 /nfs/dbraw/zinc/23/32/32/1063233232.db2.gz BFHIGAPBFACHSN-JOCHJYFZSA-N 2 1 461.699 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295335039 1063247603 /nfs/dbraw/zinc/24/76/03/1063247603.db2.gz WZSNJSBBQUOVPY-FGZHOGPDSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC001295335039 1063247628 /nfs/dbraw/zinc/24/76/28/1063247628.db2.gz WZSNJSBBQUOVPY-FGZHOGPDSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335039 1063247651 /nfs/dbraw/zinc/24/76/51/1063247651.db2.gz WZSNJSBBQUOVPY-FGZHOGPDSA-N 2 1 473.710 2.732 20 0 JFADMP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001295335039 1063247673 /nfs/dbraw/zinc/24/76/73/1063247673.db2.gz WZSNJSBBQUOVPY-FGZHOGPDSA-N 2 1 473.710 2.732 20 0 JFADMP CC1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001291183450 1063280269 /nfs/dbraw/zinc/28/02/69/1063280269.db2.gz RXKUDMISGCXGCM-UHFFFAOYSA-N 2 1 469.678 2.933 20 0 JFADMP CC1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001291183450 1063280284 /nfs/dbraw/zinc/28/02/84/1063280284.db2.gz RXKUDMISGCXGCM-UHFFFAOYSA-N 2 1 469.678 2.933 20 0 JFADMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001295363463 1063324897 /nfs/dbraw/zinc/32/48/97/1063324897.db2.gz AMSRTCPNBNCOMA-SFTDATJTSA-N 2 1 456.635 2.843 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001295364739 1063327067 /nfs/dbraw/zinc/32/70/67/1063327067.db2.gz HHLQMJIUZHSXLE-VQTJNVASSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001295376953 1063346380 /nfs/dbraw/zinc/34/63/80/1063346380.db2.gz QWMHLXPKLLURCK-ISKFKSNPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001295376956 1063347140 /nfs/dbraw/zinc/34/71/40/1063347140.db2.gz QWMHLXPKLLURCK-VWNXMTODSA-N 2 1 475.726 2.897 20 0 JFADMP CC[NH+](CC)[C@H](C)Cn1c(CCc2ccccc2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001295383317 1063355919 /nfs/dbraw/zinc/35/59/19/1063355919.db2.gz AQKVDWSDZDZVFX-ZEVJAHDQSA-N 2 1 495.716 2.782 20 0 JFADMP CC(C)O[C@]1(c2nnc(N3CC[NH+](C4CCC4)C[C@@H](C)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001291210209 1063386574 /nfs/dbraw/zinc/38/65/74/1063386574.db2.gz YBLKAOJDMPUSBF-PXDATVDWSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@]1(c2nnc(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210209 1063386596 /nfs/dbraw/zinc/38/65/96/1063386596.db2.gz YBLKAOJDMPUSBF-PXDATVDWSA-N 2 1 462.683 2.970 20 0 JFADMP CC(C)O[C@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CC[NH+](C)C(C)C)CCOC1 ZINC001291210209 1063386610 /nfs/dbraw/zinc/38/66/10/1063386610.db2.gz YBLKAOJDMPUSBF-PXDATVDWSA-N 2 1 462.683 2.970 20 0 JFADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001295483807 1063509397 /nfs/dbraw/zinc/50/93/97/1063509397.db2.gz IMAXMRSTEIUNQV-DHIUTWEWSA-N 2 1 489.709 2.631 20 0 JFADMP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494098 1063528222 /nfs/dbraw/zinc/52/82/22/1063528222.db2.gz YRKSZLIFQQJHAG-RLWLMLJZSA-N 2 1 481.689 2.856 20 0 JFADMP CC[NH+](CC)Cc1cccc(Cn2c(C)nnc2N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC001295494097 1063528383 /nfs/dbraw/zinc/52/83/83/1063528383.db2.gz YRKSZLIFQQJHAG-QFQXNSOFSA-N 2 1 481.689 2.856 20 0 JFADMP CC[NH+](CC)Cc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001295502332 1063536488 /nfs/dbraw/zinc/53/64/88/1063536488.db2.gz CVPLHUYUJRRICF-OAQYLSRUSA-N 2 1 467.662 2.821 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001295518582 1063555036 /nfs/dbraw/zinc/55/50/36/1063555036.db2.gz ORKBFOOQQUCKFS-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001295518582 1063555052 /nfs/dbraw/zinc/55/50/52/1063555052.db2.gz ORKBFOOQQUCKFS-NRFANRHFSA-N 2 1 455.651 2.543 20 0 JFADMP CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291285069 1063624451 /nfs/dbraw/zinc/62/44/51/1063624451.db2.gz KJPQYCFJMKUMER-DXBBTUNJSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001291285069 1063624458 /nfs/dbraw/zinc/62/44/58/1063624458.db2.gz KJPQYCFJMKUMER-DXBBTUNJSA-N 2 1 462.683 2.694 20 0 JFADMP CC(C)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001291288628 1063651438 /nfs/dbraw/zinc/65/14/38/1063651438.db2.gz WBKPOHAMWYZUFP-QFIPXVFZSA-N 2 1 472.682 2.700 20 0 JFADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3ccccc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063664007 /nfs/dbraw/zinc/66/40/07/1063664007.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3ccccc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063664013 /nfs/dbraw/zinc/66/40/13/1063664013.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063664020 /nfs/dbraw/zinc/66/40/20/1063664020.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 2 1 470.662 2.990 20 0 JFADMP C[C@@H]1C[NH+](CCCn2c(-c3ccccc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001291290407 1063664030 /nfs/dbraw/zinc/66/40/30/1063664030.db2.gz ZSNFSDAIXBLJQB-MESAYYPLSA-N 2 1 470.662 2.990 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(C)C ZINC001295829329 1063840808 /nfs/dbraw/zinc/84/08/08/1063840808.db2.gz HKHYGVAIAQSQSR-SANMLTNESA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1)C(C)C ZINC001295829329 1063840823 /nfs/dbraw/zinc/84/08/23/1063840823.db2.gz HKHYGVAIAQSQSR-SANMLTNESA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001295830070 1063843387 /nfs/dbraw/zinc/84/33/87/1063843387.db2.gz LDZAODKSIFFSAR-QUCCMNQESA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC001295830070 1063843402 /nfs/dbraw/zinc/84/34/02/1063843402.db2.gz LDZAODKSIFFSAR-QUCCMNQESA-N 2 1 462.042 2.881 20 0 JFADMP CC[N@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC001295831217 1063846614 /nfs/dbraw/zinc/84/66/14/1063846614.db2.gz WAFDHGRBURLJCM-UHFFFAOYSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@@H+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[NH+]1CCOC(C)(C)C1)C(C)C ZINC001295831217 1063846619 /nfs/dbraw/zinc/84/66/19/1063846619.db2.gz WAFDHGRBURLJCM-UHFFFAOYSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)C(C)C ZINC001295831217 1063846637 /nfs/dbraw/zinc/84/66/37/1063846637.db2.gz WAFDHGRBURLJCM-UHFFFAOYSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+](CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)C(C)C ZINC001295831217 1063846648 /nfs/dbraw/zinc/84/66/48/1063846648.db2.gz WAFDHGRBURLJCM-UHFFFAOYSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C2CCCC2)CC1)CCC(F)(F)F ZINC001295845195 1063866226 /nfs/dbraw/zinc/86/62/26/1063866226.db2.gz KXOCXYPTWDGGTR-SFHVURJKSA-N 2 1 471.572 2.568 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C(C)C ZINC001295851673 1063876322 /nfs/dbraw/zinc/87/63/22/1063876322.db2.gz GSJBJYBYKIDAFW-JOCHJYFZSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295851673 1063876333 /nfs/dbraw/zinc/87/63/33/1063876333.db2.gz GSJBJYBYKIDAFW-JOCHJYFZSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C(C)C ZINC001295851673 1063876342 /nfs/dbraw/zinc/87/63/42/1063876342.db2.gz GSJBJYBYKIDAFW-JOCHJYFZSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@@H+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C(C)C ZINC001295854346 1063882668 /nfs/dbraw/zinc/88/26/68/1063882668.db2.gz VTLLQOOXLFPEAF-DNVJHFABSA-N 2 1 461.699 2.507 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001295976264 1064022033 /nfs/dbraw/zinc/02/20/33/1064022033.db2.gz HFBQOMJOAKEVTP-CNNODRBYSA-N 2 1 471.625 2.875 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2C[C@@H](c2cccc(F)c2)[NH+](C)C)C[C@@H]1C ZINC001295976266 1064022129 /nfs/dbraw/zinc/02/21/29/1064022129.db2.gz HFBQOMJOAKEVTP-IPJJNNNSSA-N 2 1 471.625 2.875 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CC(C)C)[NH+](C)C)C[C@@H]1C ZINC001295978638 1064026186 /nfs/dbraw/zinc/02/61/86/1064026186.db2.gz MXKOKQWMUSEGHX-UFYCRDLUSA-N 2 1 456.639 2.821 20 0 JFADMP CC[N@@H+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C1CC1 ZINC001295978768 1064026498 /nfs/dbraw/zinc/02/64/98/1064026498.db2.gz SWDNMLXXXXYATM-MOPGFXCFSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978768 1064026501 /nfs/dbraw/zinc/02/65/01/1064026501.db2.gz SWDNMLXXXXYATM-MOPGFXCFSA-N 2 1 474.675 2.752 20 0 JFADMP CC[NH+](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C)C1CC1 ZINC001295978768 1064026505 /nfs/dbraw/zinc/02/65/05/1064026505.db2.gz SWDNMLXXXXYATM-MOPGFXCFSA-N 2 1 474.675 2.752 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC001295983173 1064038388 /nfs/dbraw/zinc/03/83/88/1064038388.db2.gz YOMJFHCIJOADGG-ZLNRFVROSA-N 2 1 496.704 2.546 20 0 JFADMP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041363 /nfs/dbraw/zinc/04/13/63/1064041363.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041371 /nfs/dbraw/zinc/04/13/71/1064041371.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041378 /nfs/dbraw/zinc/04/13/78/1064041378.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 2 1 486.661 2.992 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001295984126 1064041390 /nfs/dbraw/zinc/04/13/90/1064041390.db2.gz LOBBPFLGIMXOSR-UXHICEINSA-N 2 1 486.661 2.992 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296002969 1064057858 /nfs/dbraw/zinc/05/78/58/1064057858.db2.gz PDHORRDYOMNKLF-WOJBJXKFSA-N 2 1 458.626 2.774 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296002967 1064058003 /nfs/dbraw/zinc/05/80/03/1064058003.db2.gz PDHORRDYOMNKLF-UXHICEINSA-N 2 1 458.626 2.774 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCC[NH+]2CCC(O)CC2)C[C@H]1C ZINC001296003434 1064059025 /nfs/dbraw/zinc/05/90/25/1064059025.db2.gz UEWGTFFORHWLSD-FGZHOGPDSA-N 2 1 454.663 2.943 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008347 1064061889 /nfs/dbraw/zinc/06/18/89/1064061889.db2.gz GYXXXSIRGFPKLJ-FUDKSRODSA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008347 1064061897 /nfs/dbraw/zinc/06/18/97/1064061897.db2.gz GYXXXSIRGFPKLJ-FUDKSRODSA-N 2 1 455.651 2.540 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296008347 1064061906 /nfs/dbraw/zinc/06/19/06/1064061906.db2.gz GYXXXSIRGFPKLJ-FUDKSRODSA-N 2 1 455.651 2.540 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)[NH+](C)C)C[C@H]1C ZINC001296009531 1064065283 /nfs/dbraw/zinc/06/52/83/1064065283.db2.gz LCLMPWKPEAMNFG-XQBPLPMBSA-N 2 1 471.625 2.761 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001296010587 1064069146 /nfs/dbraw/zinc/06/91/46/1064069146.db2.gz QQTJSJNOVYULIP-ZWKOTPCHSA-N 2 1 461.680 2.664 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC001296011279 1064070606 /nfs/dbraw/zinc/07/06/06/1064070606.db2.gz UVDIKBFTZPTEDQ-RZUBCFFCSA-N 2 1 459.683 2.830 20 0 JFADMP CC[N@H+]1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001296011468 1064071702 /nfs/dbraw/zinc/07/17/02/1064071702.db2.gz PNPQAZTWYBDXQL-FCHUYYIVSA-N 2 1 486.709 2.948 20 0 JFADMP CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[NH+]2CCCO)C[C@@H]1C ZINC001296013858 1064075159 /nfs/dbraw/zinc/07/51/59/1064075159.db2.gz OUFKKQOBWFXDIH-PCCBWWKXSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@@H+]2CCCO)C[C@@H]1C ZINC001296013858 1064075168 /nfs/dbraw/zinc/07/51/68/1064075168.db2.gz OUFKKQOBWFXDIH-PCCBWWKXSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@H]2CCC[N@H+]2CCCO)C[C@@H]1C ZINC001296013858 1064075171 /nfs/dbraw/zinc/07/51/71/1064075171.db2.gz OUFKKQOBWFXDIH-PCCBWWKXSA-N 2 1 474.625 2.762 20 0 JFADMP CC[NH+]1CCC(CCn2c(-c3cnccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC001296023604 1064083779 /nfs/dbraw/zinc/08/37/79/1064083779.db2.gz NLVUBBUWXBPOMO-UHFFFAOYSA-N 2 1 470.666 2.652 20 0 JFADMP CC[NH+]1CCC(CCn2c(Cc3csc(C)n3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001296028204 1064087278 /nfs/dbraw/zinc/08/72/78/1064087278.db2.gz WDVZBPZLSQMKOL-IBGZPJMESA-N 2 1 475.707 2.913 20 0 JFADMP CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296036839 1064096903 /nfs/dbraw/zinc/09/69/03/1064096903.db2.gz MOJKCFMRGSNRCJ-QGZVFWFLSA-N 2 1 495.441 2.957 20 0 JFADMP CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(F)cc3Br)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001296036839 1064096912 /nfs/dbraw/zinc/09/69/12/1064096912.db2.gz MOJKCFMRGSNRCJ-QGZVFWFLSA-N 2 1 495.441 2.957 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001291579261 1064105361 /nfs/dbraw/zinc/10/53/61/1064105361.db2.gz IOQWPZWBLNALOI-FDFHNCONSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001291579261 1064105371 /nfs/dbraw/zinc/10/53/71/1064105371.db2.gz IOQWPZWBLNALOI-FDFHNCONSA-N 2 1 459.683 2.655 20 0 JFADMP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1C[C@H]1CCC[NH+](C(C)C)C1 ZINC001291579261 1064105377 /nfs/dbraw/zinc/10/53/77/1064105377.db2.gz IOQWPZWBLNALOI-FDFHNCONSA-N 2 1 459.683 2.655 20 0 JFADMP CC[N@@H+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296050827 1064110911 /nfs/dbraw/zinc/11/09/11/1064110911.db2.gz APYMGGPFUZJXHI-FQEVSTJZSA-N 2 1 474.625 2.885 20 0 JFADMP CC[N@H+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC001296050827 1064110914 /nfs/dbraw/zinc/11/09/14/1064110914.db2.gz APYMGGPFUZJXHI-FQEVSTJZSA-N 2 1 474.625 2.885 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001296050827 1064110918 /nfs/dbraw/zinc/11/09/18/1064110918.db2.gz APYMGGPFUZJXHI-FQEVSTJZSA-N 2 1 474.625 2.885 20 0 JFADMP CC[NH+]1CC[C@H](Cn2c(COc3ccccc3F)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001296050827 1064110920 /nfs/dbraw/zinc/11/09/20/1064110920.db2.gz APYMGGPFUZJXHI-FQEVSTJZSA-N 2 1 474.625 2.885 20 0 JFADMP CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[NH+](CCOC)[C@@H](C)C1 ZINC001296059899 1064123419 /nfs/dbraw/zinc/12/34/19/1064123419.db2.gz KJUYKEDFHARSAP-PZJWPPBQSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC001296059899 1064123428 /nfs/dbraw/zinc/12/34/28/1064123428.db2.gz KJUYKEDFHARSAP-PZJWPPBQSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCC[C@@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001296059899 1064123431 /nfs/dbraw/zinc/12/34/31/1064123431.db2.gz KJUYKEDFHARSAP-PZJWPPBQSA-N 2 1 472.634 2.604 20 0 JFADMP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](C)[NH+](C)C)CC2)CC1 ZINC001296119097 1064203578 /nfs/dbraw/zinc/20/35/78/1064203578.db2.gz OQUWYJYTOKHMSX-IBGZPJMESA-N 2 1 471.650 2.567 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130090 1064223639 /nfs/dbraw/zinc/22/36/39/1064223639.db2.gz BTHGKRKDSHIXFE-HXUWFJFHSA-N 2 1 488.750 2.970 20 0 JFADMP CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC([NH+](CC)CC)CC2)CC1 ZINC001296130804 1064224149 /nfs/dbraw/zinc/22/41/49/1064224149.db2.gz GGBAMMYHXFJOMS-OAQYLSRUSA-N 2 1 456.683 2.620 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001291758914 1064238865 /nfs/dbraw/zinc/23/88/65/1064238865.db2.gz CJLDGQMPDMMEFL-WOJBJXKFSA-N 2 1 454.623 2.720 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[NH+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136448 1064241836 /nfs/dbraw/zinc/24/18/36/1064241836.db2.gz IHGMGRBPTHPZEN-FYYLOGMGSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136448 1064241841 /nfs/dbraw/zinc/24/18/41/1064241841.db2.gz IHGMGRBPTHPZEN-FYYLOGMGSA-N 2 1 467.662 2.511 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1C ZINC001296136448 1064241849 /nfs/dbraw/zinc/24/18/49/1064241849.db2.gz IHGMGRBPTHPZEN-FYYLOGMGSA-N 2 1 467.662 2.511 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291765881 1064247255 /nfs/dbraw/zinc/24/72/55/1064247255.db2.gz QZAZVPLUGDOZAH-RBUKOAKNSA-N 2 1 462.042 2.882 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001291765881 1064247262 /nfs/dbraw/zinc/24/72/62/1064247262.db2.gz QZAZVPLUGDOZAH-RBUKOAKNSA-N 2 1 462.042 2.882 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001291771442 1064254274 /nfs/dbraw/zinc/25/42/74/1064254274.db2.gz FMEXBUVEWHISHV-OAQYLSRUSA-N 2 1 455.651 2.927 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[NH+](C)CCOC)C[C@H]1C ZINC001296144853 1064254444 /nfs/dbraw/zinc/25/44/44/1064254444.db2.gz WZNTVVOLNCOPOE-QGZVFWFLSA-N 2 1 465.440 2.816 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@H+](C)CCOC)C[C@H]1C ZINC001296144853 1064254448 /nfs/dbraw/zinc/25/44/48/1064254448.db2.gz WZNTVVOLNCOPOE-QGZVFWFLSA-N 2 1 465.440 2.816 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(Br)c3)n2CC[N@@H+](C)CCOC)C[C@H]1C ZINC001296144853 1064254452 /nfs/dbraw/zinc/25/44/52/1064254452.db2.gz WZNTVVOLNCOPOE-QGZVFWFLSA-N 2 1 465.440 2.816 20 0 JFADMP CC[N@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296145092 1064254966 /nfs/dbraw/zinc/25/49/66/1064254966.db2.gz LIRRBWCIKIVCRP-NHCUHLMSSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296145092 1064254972 /nfs/dbraw/zinc/25/49/72/1064254972.db2.gz LIRRBWCIKIVCRP-NHCUHLMSSA-N 2 1 468.650 2.968 20 0 JFADMP CC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001296145092 1064254978 /nfs/dbraw/zinc/25/49/78/1064254978.db2.gz LIRRBWCIKIVCRP-NHCUHLMSSA-N 2 1 468.650 2.968 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001296145881 1064256509 /nfs/dbraw/zinc/25/65/09/1064256509.db2.gz GSRJLACBMRWQIU-HTAPYJJXSA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@@H]1C ZINC001296145881 1064256517 /nfs/dbraw/zinc/25/65/17/1064256517.db2.gz GSRJLACBMRWQIU-HTAPYJJXSA-N 2 1 477.451 2.613 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1C ZINC001296145881 1064256522 /nfs/dbraw/zinc/25/65/22/1064256522.db2.gz GSRJLACBMRWQIU-HTAPYJJXSA-N 2 1 477.451 2.613 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC001291772878 1064256817 /nfs/dbraw/zinc/25/68/17/1064256817.db2.gz QLGUQMSPGYCRPK-FGZHOGPDSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772878 1064256826 /nfs/dbraw/zinc/25/68/26/1064256826.db2.gz QLGUQMSPGYCRPK-FGZHOGPDSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772878 1064256835 /nfs/dbraw/zinc/25/68/35/1064256835.db2.gz QLGUQMSPGYCRPK-FGZHOGPDSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC001291772880 1064256890 /nfs/dbraw/zinc/25/68/90/1064256890.db2.gz QLGUQMSPGYCRPK-YADHBBJMSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772880 1064256897 /nfs/dbraw/zinc/25/68/97/1064256897.db2.gz QLGUQMSPGYCRPK-YADHBBJMSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001291772880 1064256901 /nfs/dbraw/zinc/25/69/01/1064256901.db2.gz QLGUQMSPGYCRPK-YADHBBJMSA-N 2 1 454.667 2.595 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772957 1064257252 /nfs/dbraw/zinc/25/72/52/1064257252.db2.gz CUTHSZBVLGXCGH-QSRFUDQGSA-N 2 1 480.723 2.611 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC001291772957 1064257260 /nfs/dbraw/zinc/25/72/60/1064257260.db2.gz CUTHSZBVLGXCGH-QSRFUDQGSA-N 2 1 480.723 2.611 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291772998 1064257493 /nfs/dbraw/zinc/25/74/93/1064257493.db2.gz DFPXTBPPPRBUCV-IRLDBZIGSA-N 2 1 480.723 2.613 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001291772998 1064257499 /nfs/dbraw/zinc/25/74/99/1064257499.db2.gz DFPXTBPPPRBUCV-IRLDBZIGSA-N 2 1 480.723 2.613 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296147076 1064257910 /nfs/dbraw/zinc/25/79/10/1064257910.db2.gz NEKAHLBEBWCFHN-PMACEKPBSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296147076 1064257917 /nfs/dbraw/zinc/25/79/17/1064257917.db2.gz NEKAHLBEBWCFHN-PMACEKPBSA-N 2 1 474.675 2.611 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001296147076 1064257926 /nfs/dbraw/zinc/25/79/26/1064257926.db2.gz NEKAHLBEBWCFHN-PMACEKPBSA-N 2 1 474.675 2.611 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773416 1064258497 /nfs/dbraw/zinc/25/84/97/1064258497.db2.gz HIFDURPPYQZQHI-JTHBVZDNSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](Cc2ccccc2)CC1 ZINC001291773416 1064258505 /nfs/dbraw/zinc/25/85/05/1064258505.db2.gz HIFDURPPYQZQHI-JTHBVZDNSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001291773416 1064258509 /nfs/dbraw/zinc/25/85/09/1064258509.db2.gz HIFDURPPYQZQHI-JTHBVZDNSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001291773416 1064258513 /nfs/dbraw/zinc/25/85/13/1064258513.db2.gz HIFDURPPYQZQHI-JTHBVZDNSA-N 2 1 488.702 2.623 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC001291773500 1064258996 /nfs/dbraw/zinc/25/89/96/1064258996.db2.gz WBRQDYMFUCBBQP-ZRCGQRJVSA-N 2 1 482.681 2.662 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC001291773500 1064259004 /nfs/dbraw/zinc/25/90/04/1064259004.db2.gz WBRQDYMFUCBBQP-ZRCGQRJVSA-N 2 1 482.681 2.662 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001291773500 1064259010 /nfs/dbraw/zinc/25/90/10/1064259010.db2.gz WBRQDYMFUCBBQP-ZRCGQRJVSA-N 2 1 482.681 2.662 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001291774047 1064260759 /nfs/dbraw/zinc/26/07/59/1064260759.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001291774047 1064260763 /nfs/dbraw/zinc/26/07/63/1064260763.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[C@@H](C)[NH+](C)CCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001291774047 1064260770 /nfs/dbraw/zinc/26/07/70/1064260770.db2.gz KTZMIQFRAPDRLS-ISKFKSNPSA-N 2 1 475.726 2.897 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001296148612 1064260825 /nfs/dbraw/zinc/26/08/25/1064260825.db2.gz AEVXXAFVMKBNHK-RTWAWAEBSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001296148612 1064260831 /nfs/dbraw/zinc/26/08/31/1064260831.db2.gz AEVXXAFVMKBNHK-RTWAWAEBSA-N 2 1 486.661 2.994 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001296148612 1064260838 /nfs/dbraw/zinc/26/08/38/1064260838.db2.gz AEVXXAFVMKBNHK-RTWAWAEBSA-N 2 1 486.661 2.994 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148723 1064260868 /nfs/dbraw/zinc/26/08/68/1064260868.db2.gz ZUIWDRGCPDWHKZ-NZQKXSOJSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148723 1064260876 /nfs/dbraw/zinc/26/08/76/1064260876.db2.gz ZUIWDRGCPDWHKZ-NZQKXSOJSA-N 2 1 456.635 2.841 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC001296148723 1064260881 /nfs/dbraw/zinc/26/08/81/1064260881.db2.gz ZUIWDRGCPDWHKZ-NZQKXSOJSA-N 2 1 456.635 2.841 20 0 JFADMP CC[N@H+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[NH+](C)CCOC)C[C@@H]1C ZINC001296149063 1064261422 /nfs/dbraw/zinc/26/14/22/1064261422.db2.gz HQKMPLAYSQVKLW-FQEVSTJZSA-N 2 1 451.619 2.992 20 0 JFADMP CC[NH+]1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC[N@H+](C)CCOC)C[C@@H]1C ZINC001296149063 1064261430 /nfs/dbraw/zinc/26/14/30/1064261430.db2.gz HQKMPLAYSQVKLW-FQEVSTJZSA-N 2 1 451.619 2.992 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291777059 1064265793 /nfs/dbraw/zinc/26/57/93/1064265793.db2.gz BMYBAEFHLLGYAH-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC001291777059 1064265798 /nfs/dbraw/zinc/26/57/98/1064265798.db2.gz BMYBAEFHLLGYAH-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001291777059 1064265805 /nfs/dbraw/zinc/26/58/05/1064265805.db2.gz BMYBAEFHLLGYAH-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@H](C)[NH+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001291777059 1064265809 /nfs/dbraw/zinc/26/58/09/1064265809.db2.gz BMYBAEFHLLGYAH-QFIPXVFZSA-N 2 1 499.679 2.873 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001291781829 1064269470 /nfs/dbraw/zinc/26/94/70/1064269470.db2.gz JFLKRIRVBRKKJY-HSZRJFAPSA-N 2 1 482.721 2.989 20 0 JFADMP CC[C@@H](C)[N@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291781829 1064269482 /nfs/dbraw/zinc/26/94/82/1064269482.db2.gz JFLKRIRVBRKKJY-HSZRJFAPSA-N 2 1 482.721 2.989 20 0 JFADMP CC[C@@H](C)[N@@H+](C)CCn1c(Cc2ccncc2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001291781829 1064269493 /nfs/dbraw/zinc/26/94/93/1064269493.db2.gz JFLKRIRVBRKKJY-HSZRJFAPSA-N 2 1 482.721 2.989 20 0 JFADMP CC[C@H](C)[N@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291782956 1064274570 /nfs/dbraw/zinc/27/45/70/1064274570.db2.gz WAZSPZDXYFILIB-GPXNEJASSA-N 2 1 454.663 2.951 20 0 JFADMP CC[C@H](C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC001291782956 1064274580 /nfs/dbraw/zinc/27/45/80/1064274580.db2.gz WAZSPZDXYFILIB-GPXNEJASSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001296160808 1064275069 /nfs/dbraw/zinc/27/50/69/1064275069.db2.gz PMHJJDXILVICBZ-SLFFLAALSA-N 2 1 463.671 2.873 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001296163214 1064277027 /nfs/dbraw/zinc/27/70/27/1064277027.db2.gz RYHPANOYUNZNRJ-HSZRJFAPSA-N 2 1 467.706 2.981 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001296163214 1064277041 /nfs/dbraw/zinc/27/70/41/1064277041.db2.gz RYHPANOYUNZNRJ-HSZRJFAPSA-N 2 1 467.706 2.981 20 0 JFADMP CC[N@H+]1CCN(c2nnc(Cc3ccccc3C)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001296163214 1064277061 /nfs/dbraw/zinc/27/70/61/1064277061.db2.gz RYHPANOYUNZNRJ-HSZRJFAPSA-N 2 1 467.706 2.981 20 0 JFADMP CC[N@@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296165855 1064285451 /nfs/dbraw/zinc/28/54/51/1064285451.db2.gz BHXYVAANFRTOPQ-LADGPHEKSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296165855 1064285465 /nfs/dbraw/zinc/28/54/65/1064285465.db2.gz BHXYVAANFRTOPQ-LADGPHEKSA-N 2 1 454.663 2.951 20 0 JFADMP CC[N@H+]1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001296173753 1064298715 /nfs/dbraw/zinc/29/87/15/1064298715.db2.gz LOLGXZLEFADZSQ-NRFANRHFSA-N 2 1 486.661 2.631 20 0 JFADMP CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001296174710 1064301653 /nfs/dbraw/zinc/30/16/53/1064301653.db2.gz SEEGRBCUUTZPTC-VJBMBRPKSA-N 2 1 456.635 2.642 20 0 JFADMP CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCO4)n3CCC[NH+](C(C)C)C(C)C)C2)CC1 ZINC001296182225 1064321948 /nfs/dbraw/zinc/32/19/48/1064321948.db2.gz PLFZZSQXOPTBRE-DHIUTWEWSA-N 2 1 461.699 2.855 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001296192137 1064344225 /nfs/dbraw/zinc/34/42/25/1064344225.db2.gz MLGZQDSFIQNMBM-FGZHOGPDSA-N 2 1 461.699 2.714 20 0 JFADMP CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195663 1064362673 /nfs/dbraw/zinc/36/26/73/1064362673.db2.gz WXWZCXUVRKBLFF-PKTZIBPZSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001296195663 1064362680 /nfs/dbraw/zinc/36/26/80/1064362680.db2.gz WXWZCXUVRKBLFF-PKTZIBPZSA-N 2 1 461.699 2.714 20 0 JFADMP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001296195663 1064362694 /nfs/dbraw/zinc/36/26/94/1064362694.db2.gz WXWZCXUVRKBLFF-PKTZIBPZSA-N 2 1 461.699 2.714 20 0 JFADMP CCN1CC[NH+](CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296202975 1064380081 /nfs/dbraw/zinc/38/00/81/1064380081.db2.gz JRPSFYKFDRVPEQ-DHIUTWEWSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001296202975 1064380086 /nfs/dbraw/zinc/38/00/86/1064380086.db2.gz JRPSFYKFDRVPEQ-DHIUTWEWSA-N 2 1 468.694 2.601 20 0 JFADMP CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC001296202975 1064380092 /nfs/dbraw/zinc/38/00/92/1064380092.db2.gz JRPSFYKFDRVPEQ-DHIUTWEWSA-N 2 1 468.694 2.601 20 0 JFADMP CCC(CC)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC001291967938 1064583286 /nfs/dbraw/zinc/58/32/86/1064583286.db2.gz NSIOWXAWWBGTFZ-IEIRFRATSA-N 2 1 462.683 2.838 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292019386 1064657684 /nfs/dbraw/zinc/65/76/84/1064657684.db2.gz FBMFXSIGZJSBPQ-OTWHNJEPSA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[N@@H+](CC)C[C@H]2C)n1C[C@H]1CCn2cc[nH+]c2C1 ZINC001292019386 1064657689 /nfs/dbraw/zinc/65/76/89/1064657689.db2.gz FBMFXSIGZJSBPQ-OTWHNJEPSA-N 2 1 456.639 2.575 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029700 1064683240 /nfs/dbraw/zinc/68/32/40/1064683240.db2.gz DYEZXTWAUPYFRM-NQIIRXRSSA-N 2 1 456.639 2.855 20 0 JFADMP CCC(CC)NC(=O)c1nnc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1CCCCn1cc[nH+]c1C ZINC001292029700 1064683248 /nfs/dbraw/zinc/68/32/48/1064683248.db2.gz DYEZXTWAUPYFRM-NQIIRXRSSA-N 2 1 456.639 2.855 20 0 JFADMP CCc1ccc(-c2nnc(N3CCN(C(=O)C[NH+](CC)CC)CC3)n2CC[N@H+]2CCC[C@H]2C)cc1 ZINC001292513261 1065232646 /nfs/dbraw/zinc/23/26/46/1065232646.db2.gz BJSAPMQLSQWFIK-JOCHJYFZSA-N 2 1 481.689 2.982 20 0 JFADMP CCc1ccccc1OCc1nnc(N2CC[N@@H+](CC)[C@@H](C)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001292616791 1065352262 /nfs/dbraw/zinc/35/22/62/1065352262.db2.gz XZEDZCBCGBSIRG-XZOQPEGZSA-N 2 1 483.705 2.976 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC[NH+](C)Cc1ccccc1 ZINC001292893442 1065594226 /nfs/dbraw/zinc/59/42/26/1065594226.db2.gz OBAMSMJCHNOMMM-RCZVLFRGSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CCC[N@H+](C)Cc1ccccc1 ZINC001292893442 1065594232 /nfs/dbraw/zinc/59/42/32/1065594232.db2.gz OBAMSMJCHNOMMM-RCZVLFRGSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCCN(C(C)=O)CC3)C2)n1CCC[N@@H+](C)Cc1ccccc1 ZINC001292893442 1065594238 /nfs/dbraw/zinc/59/42/38/1065594238.db2.gz OBAMSMJCHNOMMM-RCZVLFRGSA-N 2 1 481.689 2.742 20 0 JFADMP CCc1nnc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001292924750 1065617617 /nfs/dbraw/zinc/61/76/17/1065617617.db2.gz PDHOSWOTDMPHKH-JOCHJYFZSA-N 2 1 473.710 2.779 20 0 JFADMP C[NH+](C)CCSc1nc(CC(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)cs1 ZINC001292949771 1065629820 /nfs/dbraw/zinc/62/98/20/1065629820.db2.gz VQXDXHHLRCAKNB-QGZVFWFLSA-N 2 1 453.703 2.506 20 0 JFADMP CCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001292950824 1065630704 /nfs/dbraw/zinc/63/07/04/1065630704.db2.gz DFAOGEWWBQBGMP-JOCHJYFZSA-N 2 1 473.710 2.732 20 0 JFADMP CCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001293068057 1065719669 /nfs/dbraw/zinc/71/96/69/1065719669.db2.gz AJRXXZOFCGWDGL-NRFANRHFSA-N 2 1 471.650 2.651 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](c1ccco1)[NH+](CC)CC ZINC001293068057 1065719681 /nfs/dbraw/zinc/71/96/81/1065719681.db2.gz AJRXXZOFCGWDGL-NRFANRHFSA-N 2 1 471.650 2.651 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccc(F)c1)[NH+](C)C ZINC001293068593 1065721191 /nfs/dbraw/zinc/72/11/91/1065721191.db2.gz JOPQMCSEQMIHLT-QFIPXVFZSA-N 2 1 454.598 2.728 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](c1cccc(F)c1)[NH+](C)C ZINC001293068592 1065721255 /nfs/dbraw/zinc/72/12/55/1065721255.db2.gz JOPQMCSEQMIHLT-JOCHJYFZSA-N 2 1 454.598 2.728 20 0 JFADMP CCc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001293069435 1065722224 /nfs/dbraw/zinc/72/22/24/1065722224.db2.gz VNZWNDIJHKFHJE-NRFANRHFSA-N 2 1 450.635 2.807 20 0 JFADMP CCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001293069435 1065722235 /nfs/dbraw/zinc/72/22/35/1065722235.db2.gz VNZWNDIJHKFHJE-NRFANRHFSA-N 2 1 450.635 2.807 20 0 JFADMP CCc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H](C)[NH+](C)Cc1ccccc1 ZINC001293069435 1065722243 /nfs/dbraw/zinc/72/22/43/1065722243.db2.gz VNZWNDIJHKFHJE-NRFANRHFSA-N 2 1 450.635 2.807 20 0 JFADMP CCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1C[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001293123698 1065776593 /nfs/dbraw/zinc/77/65/93/1065776593.db2.gz LGVGWGMXSSJTRO-DEOSSOPVSA-N 2 1 486.709 2.650 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCCC[N@H+]1CCCC[C@@H]1C ZINC001293131340 1065783626 /nfs/dbraw/zinc/78/36/26/1065783626.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@@H]1C ZINC001293131340 1065783633 /nfs/dbraw/zinc/78/36/33/1065783633.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 2 1 475.726 2.726 20 0 JFADMP CCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCCC[C@@H]1C ZINC001293131340 1065783641 /nfs/dbraw/zinc/78/36/41/1065783641.db2.gz OGQWJPZXRRQPTQ-BJKOFHAPSA-N 2 1 475.726 2.726 20 0 JFADMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001293364369 1065969299 /nfs/dbraw/zinc/96/92/99/1065969299.db2.gz FMVAHZUFEAQYTH-QHCPKHFHSA-N 2 1 482.677 2.595 20 0 JFADMP CC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CC[NH+](CC)CC3)nc2)CC[N@H+]1CCOC ZINC001293520553 1066042138 /nfs/dbraw/zinc/04/21/38/1066042138.db2.gz XXZHWBVQCVWPJV-QHCPKHFHSA-N 2 1 498.720 2.708 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[NH+](C)C(C)C)CC[N@H+]1CCOC ZINC001293558713 1066072548 /nfs/dbraw/zinc/07/25/48/1066072548.db2.gz RNMWBRMZUYTLRG-FQEVSTJZSA-N 2 1 458.607 2.561 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@H+](C)C(C)C)CC[NH+]1CCOC ZINC001293558713 1066072558 /nfs/dbraw/zinc/07/25/58/1066072558.db2.gz RNMWBRMZUYTLRG-FQEVSTJZSA-N 2 1 458.607 2.561 20 0 JFADMP CC[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[N@@H+](C)C(C)C)CC[NH+]1CCOC ZINC001293558713 1066072571 /nfs/dbraw/zinc/07/25/71/1066072571.db2.gz RNMWBRMZUYTLRG-FQEVSTJZSA-N 2 1 458.607 2.561 20 0 JFADMP CC[C@H]1CN(c2nnc(C3CCC3)n2CC2(SC)CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC001293584160 1066093701 /nfs/dbraw/zinc/09/37/01/1066093701.db2.gz TZXIVVBATKOLFT-FQEVSTJZSA-N 2 1 450.697 2.920 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCCC[C@H]2C)CC[N@H+]1CCOC ZINC001293593696 1066099593 /nfs/dbraw/zinc/09/95/93/1066099593.db2.gz FTCWAZAZUQNLRB-XPWALMASSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1CCOC ZINC001293593696 1066099602 /nfs/dbraw/zinc/09/96/02/1066099602.db2.gz FTCWAZAZUQNLRB-XPWALMASSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@H]2C)CC[NH+]1CCOC ZINC001293593696 1066099614 /nfs/dbraw/zinc/09/96/14/1066099614.db2.gz FTCWAZAZUQNLRB-XPWALMASSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1CCOC ZINC001293593695 1066099778 /nfs/dbraw/zinc/09/97/78/1066099778.db2.gz FTCWAZAZUQNLRB-RJGXRXQPSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1CCOC ZINC001293593695 1066099789 /nfs/dbraw/zinc/09/97/89/1066099789.db2.gz FTCWAZAZUQNLRB-RJGXRXQPSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC[N@H+]2CCCC[C@@H]2C)CC[NH+]1CCOC ZINC001293593695 1066099799 /nfs/dbraw/zinc/09/97/99/1066099799.db2.gz FTCWAZAZUQNLRB-RJGXRXQPSA-N 2 1 462.683 2.984 20 0 JFADMP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001293635129 1066150810 /nfs/dbraw/zinc/15/08/10/1066150810.db2.gz LFXPMQUTYLNNSI-ZEQRLZLVSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635129 1066150814 /nfs/dbraw/zinc/15/08/14/1066150814.db2.gz LFXPMQUTYLNNSI-ZEQRLZLVSA-N 2 1 486.709 2.807 20 0 JFADMP CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001293635129 1066150820 /nfs/dbraw/zinc/15/08/20/1066150820.db2.gz LFXPMQUTYLNNSI-ZEQRLZLVSA-N 2 1 486.709 2.807 20 0 JFADMP CCC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001294082148 1066550821 /nfs/dbraw/zinc/55/08/21/1066550821.db2.gz PWPZSHRCDYIYBQ-PKTZIBPZSA-N 2 1 462.683 2.841 20 0 JFADMP CCC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCC(C)CC2)CC[N@H+]1CCOC ZINC001294082147 1066550856 /nfs/dbraw/zinc/55/08/56/1066550856.db2.gz PWPZSHRCDYIYBQ-GOTSBHOMSA-N 2 1 462.683 2.841 20 0 JFADMP