smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(C)Cc1nnc2n1CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164823664 720414806 /nfs/dbraw/zinc/41/48/06/720414806.db2.gz IRASYOSIULPYJY-UHFFFAOYSA-N 2 0 413.526 1.535 20 0 HDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746645 720840438 /nfs/dbraw/zinc/84/04/38/720840438.db2.gz PUHXZKMGPQZBQG-QHAWAJNXSA-N 2 0 423.565 1.889 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164862879 720885380 /nfs/dbraw/zinc/88/53/80/720885380.db2.gz RRWXTGSOTMFDMF-MOPGFXCFSA-N 2 0 405.543 1.029 20 0 HDADRP CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]12 ZINC001164758957 721000589 /nfs/dbraw/zinc/00/05/89/721000589.db2.gz XRUOFWGCZYLYLJ-AHRSYUTCSA-N 2 0 417.554 1.667 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164865724 721113574 /nfs/dbraw/zinc/11/35/74/721113574.db2.gz OVMRUPYADWKQLL-VQTJNVASSA-N 2 0 409.538 1.279 20 0 HDADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164881151 721172642 /nfs/dbraw/zinc/17/26/42/721172642.db2.gz ZHFRQDOXYNOHPX-RTWAWAEBSA-N 2 0 424.549 1.730 20 0 HDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164783608 721453382 /nfs/dbraw/zinc/45/33/82/721453382.db2.gz CKCLEXUFKLDPBE-FQEVSTJZSA-N 2 0 415.582 1.856 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)c2)CC1 ZINC001164884870 721459288 /nfs/dbraw/zinc/45/92/88/721459288.db2.gz BMJYKQWJSWZICX-HSALFYBXSA-N 2 0 400.523 1.817 20 0 HDADRP C[NH+]1CCN(c2cccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@H]34)c3ncccn3)n2)CC1 ZINC001164790542 721483973 /nfs/dbraw/zinc/48/39/73/721483973.db2.gz FSMFVRSWXZLILR-QYZOEREBSA-N 2 0 409.538 1.386 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164904680 721544312 /nfs/dbraw/zinc/54/43/12/721544312.db2.gz FZFJUAFDAJMPOQ-AZUAARDMSA-N 2 0 412.513 1.885 20 0 HDADRP Cc1ccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957546 722025422 /nfs/dbraw/zinc/02/54/22/722025422.db2.gz CGIZGSVLWDCDHJ-WMZHIEFXSA-N 2 0 423.565 1.981 20 0 HDADRP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670113 1073624739 /nfs/dbraw/zinc/62/47/39/1073624739.db2.gz QWASFTGMSUWCPD-NRFANRHFSA-N 2 0 414.598 1.221 20 0 HDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778013 1073734205 /nfs/dbraw/zinc/73/42/05/1073734205.db2.gz SAEAULNVCGXVAR-UXHICEINSA-N 2 0 423.989 1.648 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000673871818 1073838734 /nfs/dbraw/zinc/83/87/34/1073838734.db2.gz QJIPPALIQJHFBQ-UHFFFAOYSA-N 2 0 400.527 1.723 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000674325804 1074275155 /nfs/dbraw/zinc/27/51/55/1074275155.db2.gz HGPCCWCGNXSCEV-UHFFFAOYSA-N 2 0 403.571 1.214 20 0 HDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674404446 1074315764 /nfs/dbraw/zinc/31/57/64/1074315764.db2.gz PGXRURSFFKGGEV-VQTJNVASSA-N 2 0 408.587 1.510 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(OCCCO)CC1 ZINC000674975671 1074649413 /nfs/dbraw/zinc/64/94/13/1074649413.db2.gz MVTGRJOUQUJUPO-UHFFFAOYSA-N 2 0 405.543 1.167 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000477030895 1074729320 /nfs/dbraw/zinc/72/93/20/1074729320.db2.gz GGSNLEPYBQCQGB-JEYLPNPQSA-N 2 0 406.493 1.754 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000477081847 1074788874 /nfs/dbraw/zinc/78/88/74/1074788874.db2.gz NEUWXFFPOFJKJF-JBACZVJFSA-N 3 0 423.646 1.629 20 0 HDADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000670510573 1075094055 /nfs/dbraw/zinc/09/40/55/1075094055.db2.gz QAVHIMZDBSOICW-DYESRHJHSA-N 2 0 416.566 1.795 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000509328043 1075109271 /nfs/dbraw/zinc/10/92/71/1075109271.db2.gz OGUMUAMLQQZSLS-UHFFFAOYSA-N 2 0 415.582 1.630 20 0 HDADRP CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000675515939 1075181534 /nfs/dbraw/zinc/18/15/34/1075181534.db2.gz QZGNKSMZXYBRLA-UHFFFAOYSA-N 2 0 420.554 1.307 20 0 HDADRP C[NH+](C)C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)c2ccccc2O1 ZINC000675512432 1075190246 /nfs/dbraw/zinc/19/02/46/1075190246.db2.gz OHAGUEUMQKAQGF-IBGZPJMESA-N 2 0 409.534 1.950 20 0 HDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)o1 ZINC000427257305 1075276465 /nfs/dbraw/zinc/27/64/65/1075276465.db2.gz OGRJGFKVKWDPQN-UHFFFAOYSA-N 2 0 416.526 1.580 20 0 HDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097072 1075360761 /nfs/dbraw/zinc/36/07/61/1075360761.db2.gz TYGVFVNADSFAGP-ZWKOTPCHSA-N 2 0 404.559 1.496 20 0 HDADRP C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000676097153 1075361938 /nfs/dbraw/zinc/36/19/38/1075361938.db2.gz IYFWMJCGRDRPFK-SFHVURJKSA-N 2 0 412.538 1.506 20 0 HDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676099860 1075364148 /nfs/dbraw/zinc/36/41/48/1075364148.db2.gz IHDGLVKENBTENB-GOSISDBHSA-N 2 0 418.586 1.886 20 0 HDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)CC2)C1 ZINC000676167891 1075416721 /nfs/dbraw/zinc/41/67/21/1075416721.db2.gz LPTRVDCULXGPFL-HBMCJLEFSA-N 2 0 407.603 1.176 20 0 HDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676190908 1075420604 /nfs/dbraw/zinc/42/06/04/1075420604.db2.gz CDLOFGRMFGSLIX-XPNTWCBSSA-N 2 0 401.551 1.508 20 0 HDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676344752 1075518371 /nfs/dbraw/zinc/51/83/71/1075518371.db2.gz SHOTWGNDXWKEIN-QFIPXVFZSA-N 2 0 400.567 1.958 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000676394337 1075541834 /nfs/dbraw/zinc/54/18/34/1075541834.db2.gz ZMYWCEIWOOSAAV-JOCHJYFZSA-N 2 0 400.567 1.877 20 0 HDADRP COc1cccc([C@@H](O)CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000732245249 1075679430 /nfs/dbraw/zinc/67/94/30/1075679430.db2.gz WOVZPWOKLQZFBD-NRFANRHFSA-N 2 0 413.522 1.635 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307098 1075694657 /nfs/dbraw/zinc/69/46/57/1075694657.db2.gz CFRLSFQULZZTFA-UYAOXDASSA-N 2 0 416.566 1.923 20 0 HDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000429477022 1075748026 /nfs/dbraw/zinc/74/80/26/1075748026.db2.gz QYMAKUZWDZXHSY-IBGZPJMESA-N 2 0 415.582 1.609 20 0 HDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000446827387 1075803664 /nfs/dbraw/zinc/80/36/64/1075803664.db2.gz UARYXQXUGGQUKV-UHFFFAOYSA-N 2 0 418.586 1.742 20 0 HDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427273255 1075809620 /nfs/dbraw/zinc/80/96/20/1075809620.db2.gz FNLCOKRXDPVEFS-FXAWDEMLSA-N 2 0 424.549 1.725 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128544 1075979248 /nfs/dbraw/zinc/97/92/48/1075979248.db2.gz VMACKEXAJPQBGW-RTBURBONSA-N 2 0 413.566 1.710 20 0 HDADRP Cc1cn(C)c(CC(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495127393 1076005864 /nfs/dbraw/zinc/00/58/64/1076005864.db2.gz JCAVXVRMMLHNHH-SJORKVTESA-N 2 0 413.566 1.195 20 0 HDADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C1 ZINC000733668893 1076150462 /nfs/dbraw/zinc/15/04/62/1076150462.db2.gz GORPUSICBDWRRQ-INIZCTEOSA-N 2 0 419.545 1.705 20 0 HDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000730682307 1076632686 /nfs/dbraw/zinc/63/26/86/1076632686.db2.gz UAAOFXYBLDDCLC-UHFFFAOYSA-N 2 0 424.549 1.362 20 0 HDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730918055 1076691554 /nfs/dbraw/zinc/69/15/54/1076691554.db2.gz CEVWAIDIUHAGLL-OAQYLSRUSA-N 2 0 413.566 1.854 20 0 HDADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)CC2)CC1 ZINC001164614700 719022195 /nfs/dbraw/zinc/02/21/95/719022195.db2.gz WZFWYZJMYVVXJK-UHFFFAOYSA-N 2 0 416.570 1.472 20 0 HDADRP Cn1nnc2c1CCN(c1[nH+][nH]c(Cl)c3ncnc1-3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715470 720188233 /nfs/dbraw/zinc/18/82/33/720188233.db2.gz CQJPBTDIHDEMPE-ZDUSSCGKSA-N 2 0 417.905 1.351 20 0 HDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1C[NH2+]CC3)CCC2 ZINC001164813403 720208548 /nfs/dbraw/zinc/20/85/48/720208548.db2.gz PIHNZUQYGVYRAR-UHFFFAOYSA-N 2 0 417.945 1.583 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4nnc(Cn5ccnc5)c4C3)c2)CC1 ZINC001164829386 720398843 /nfs/dbraw/zinc/39/88/43/720398843.db2.gz MURHKVKAJDCDLK-UHFFFAOYSA-N 2 0 408.510 1.801 20 0 HDADRP CC(C)[N@H+]1[C@@H]2CCN(c3cncc(N4CC[NH2+]CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834981 720552901 /nfs/dbraw/zinc/55/29/01/720552901.db2.gz GGAPEHBIPKEAJO-SLFFLAALSA-N 2 0 410.570 1.461 20 0 HDADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749293 720801111 /nfs/dbraw/zinc/80/11/11/720801111.db2.gz TVHHVZBLXFHARB-PXNSSMCTSA-N 2 0 410.522 1.687 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@@H]43)c2)CC1 ZINC001164848202 720804350 /nfs/dbraw/zinc/80/43/50/720804350.db2.gz PECDNVRTSRPBIZ-AABGKKOBSA-N 2 0 400.523 1.675 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164865725 721114131 /nfs/dbraw/zinc/11/41/31/721114131.db2.gz OVMRUPYADWKQLL-WOJBJXKFSA-N 2 0 409.538 1.279 20 0 HDADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762834 721228358 /nfs/dbraw/zinc/22/83/58/721228358.db2.gz LLCATDZFSUATQK-PMACEKPBSA-N 2 0 411.554 1.547 20 0 HDADRP Cc1ccc(N2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]32)nn1 ZINC001164777254 721313490 /nfs/dbraw/zinc/31/34/90/721313490.db2.gz SFELHUIQAAPCNQ-WOJBJXKFSA-N 2 0 410.522 1.747 20 0 HDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164788603 721459607 /nfs/dbraw/zinc/45/96/07/721459607.db2.gz UROALDVSLSABSK-IBGZPJMESA-N 2 0 401.555 1.814 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164899655 721513528 /nfs/dbraw/zinc/51/35/28/721513528.db2.gz LMCPBFMXANOGRX-AZUAARDMSA-N 2 0 412.513 1.709 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164800354 721569460 /nfs/dbraw/zinc/56/94/60/721569460.db2.gz FCUZZHMQENITQL-XPNTWCBSSA-N 2 0 408.550 1.754 20 0 HDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)C[C@H](C)O1 ZINC000429182778 1073981876 /nfs/dbraw/zinc/98/18/76/1073981876.db2.gz NHDNVHCEWWBNIY-BGYRXZFFSA-N 2 0 423.646 1.933 20 0 HDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000674039442 1074112312 /nfs/dbraw/zinc/11/23/12/1074112312.db2.gz RDVWUHFDTOYWOJ-IBGZPJMESA-N 2 0 402.539 1.708 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000674040840 1074122668 /nfs/dbraw/zinc/12/26/68/1074122668.db2.gz XMDDMHVYNWKSDR-HXUWFJFHSA-N 2 0 408.568 1.509 20 0 HDADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)CC1 ZINC000674321584 1074271764 /nfs/dbraw/zinc/27/17/64/1074271764.db2.gz ZBDCHLJLHREDKQ-UHFFFAOYSA-N 2 0 406.527 1.101 20 0 HDADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000674321054 1074281859 /nfs/dbraw/zinc/28/18/59/1074281859.db2.gz NTOJCXSWYITSPZ-UHFFFAOYSA-N 2 0 420.579 1.401 20 0 HDADRP COC1CC[NH+](CCNc2ncc(C)c(NCC[NH+]3CCC(OC)CC3)n2)CC1 ZINC000674747437 1074546211 /nfs/dbraw/zinc/54/62/11/1074546211.db2.gz FVLVVDOROGKCGN-UHFFFAOYSA-N 2 0 406.575 1.830 20 0 HDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)CC1 ZINC000575940202 1074767569 /nfs/dbraw/zinc/76/75/69/1074767569.db2.gz GRPFSMUEXSFGPQ-UHFFFAOYSA-N 2 0 412.538 2.254 20 0 HDADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000670510721 1075094612 /nfs/dbraw/zinc/09/46/12/1075094612.db2.gz NSHSUQITIDKOEG-UHFFFAOYSA-N 2 0 422.614 1.597 20 0 HDADRP C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000675736467 1075261311 /nfs/dbraw/zinc/26/13/11/1075261311.db2.gz TZBJGDQKVZRIGX-CVEARBPZSA-N 2 0 417.597 1.002 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000509364875 1075263880 /nfs/dbraw/zinc/26/38/80/1075263880.db2.gz IAJQBSVQCRISAX-HXUWFJFHSA-N 2 0 419.570 1.494 20 0 HDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047879 1075340112 /nfs/dbraw/zinc/34/01/12/1075340112.db2.gz VPLDKZHSBQFUSD-TYPHKJRUSA-N 2 0 407.603 1.222 20 0 HDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093031 1075353151 /nfs/dbraw/zinc/35/31/51/1075353151.db2.gz CNNQBEICHFFQDE-UHFFFAOYSA-N 2 0 404.490 1.113 20 0 HDADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676094847 1075355211 /nfs/dbraw/zinc/35/52/11/1075355211.db2.gz UBVXHSQFZBLCBA-UHFFFAOYSA-N 2 0 400.483 1.211 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000676094897 1075355526 /nfs/dbraw/zinc/35/55/26/1075355526.db2.gz WRUMDRJKCWLFTQ-SFHVURJKSA-N 2 0 404.559 1.498 20 0 HDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096115 1075360049 /nfs/dbraw/zinc/36/00/49/1075360049.db2.gz GGLORVAABDAERO-HXUWFJFHSA-N 2 0 404.474 1.987 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000676088926 1075370431 /nfs/dbraw/zinc/37/04/31/1075370431.db2.gz DLJKRFTYAKZDKS-UHFFFAOYSA-N 2 0 412.538 1.686 20 0 HDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090430 1075374572 /nfs/dbraw/zinc/37/45/72/1075374572.db2.gz XYRBSJDKWQRNDV-UHFFFAOYSA-N 2 0 404.474 1.770 20 0 HDADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000676091470 1075376721 /nfs/dbraw/zinc/37/67/21/1075376721.db2.gz ABARIYPZIMJVIQ-UHFFFAOYSA-N 2 0 408.462 1.463 20 0 HDADRP Cc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1-c1ccccc1 ZINC000731622828 1075417698 /nfs/dbraw/zinc/41/76/98/1075417698.db2.gz SIZSYKHCMKALAP-UHFFFAOYSA-N 2 0 405.506 1.913 20 0 HDADRP O=C(N1CC[C@H](OCC[NH+]2CCCCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676186144 1075425238 /nfs/dbraw/zinc/42/52/38/1075425238.db2.gz GJSKWTUSDJOAGX-JTHBVZDNSA-N 2 0 401.551 1.727 20 0 HDADRP COc1cccc(Cc2nnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s2)c1 ZINC000548192884 1075474862 /nfs/dbraw/zinc/47/48/62/1075474862.db2.gz GRGZRWNCEOPAAP-UHFFFAOYSA-N 2 0 406.556 2.095 20 0 HDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456662 1075624567 /nfs/dbraw/zinc/62/45/67/1075624567.db2.gz RVQWSFNUVKPPDZ-QZTJIDSGSA-N 2 0 415.582 1.737 20 0 HDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427133331 1075711102 /nfs/dbraw/zinc/71/11/02/1075711102.db2.gz NDPBMROKCZPAEW-QZTJIDSGSA-N 2 0 418.586 1.963 20 0 HDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000437218772 1075722667 /nfs/dbraw/zinc/72/26/67/1075722667.db2.gz MPNLXGYCDLTRDC-UHFFFAOYSA-N 2 0 410.453 1.935 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000509265288 1075756672 /nfs/dbraw/zinc/75/66/72/1075756672.db2.gz UZQXLNXEDYTCHW-UHFFFAOYSA-N 2 0 415.582 1.978 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCCCCC[NH+]3CCCCC3)n2)CC1 ZINC000426946179 1075779110 /nfs/dbraw/zinc/77/91/10/1075779110.db2.gz SQBQMKDLQKAESK-UHFFFAOYSA-N 2 0 404.559 1.861 20 0 HDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427588980 1075824373 /nfs/dbraw/zinc/82/43/73/1075824373.db2.gz VTRUYWSDRZLYTD-GOSISDBHSA-N 2 0 404.559 1.715 20 0 HDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385927 1076008921 /nfs/dbraw/zinc/00/89/21/1076008921.db2.gz QKZHWHYHKYFSGX-AEFFLSMTSA-N 2 0 407.559 1.951 20 0 HDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000733890352 1076251893 /nfs/dbraw/zinc/25/18/93/1076251893.db2.gz CGCSSFPCQJBTKV-SFHVURJKSA-N 2 0 402.539 1.186 20 0 HDADRP CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824566 1076268059 /nfs/dbraw/zinc/26/80/59/1076268059.db2.gz XQRIIOXZUWCTMD-QHCPKHFHSA-N 2 0 413.566 1.947 20 0 HDADRP CCc1cc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164685573 719728426 /nfs/dbraw/zinc/72/84/26/719728426.db2.gz MJVAKGMDDSMKKH-UHFFFAOYSA-N 2 0 402.543 1.056 20 0 HDADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811778 720144910 /nfs/dbraw/zinc/14/49/10/720144910.db2.gz NGWQXACBCMJFLG-PGRDOPGGSA-N 2 0 400.571 1.589 20 0 HDADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164840682 720512008 /nfs/dbraw/zinc/51/20/08/720512008.db2.gz XFLPOIGKUJIUBX-QHAWAJNXSA-N 2 0 424.597 1.803 20 0 HDADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CC[NH+](C)CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164840680 720512259 /nfs/dbraw/zinc/51/22/59/720512259.db2.gz XFLPOIGKUJIUBX-PCCBWWKXSA-N 2 0 424.597 1.803 20 0 HDADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749296 720800630 /nfs/dbraw/zinc/80/06/30/720800630.db2.gz TVHHVZBLXFHARB-YLJYHZDGSA-N 2 0 410.522 1.687 20 0 HDADRP c1ncn(C[C@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746641 720840183 /nfs/dbraw/zinc/84/01/83/720840183.db2.gz PUHXZKMGPQZBQG-PWRODBHTSA-N 2 0 423.565 1.889 20 0 HDADRP Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746033 720861973 /nfs/dbraw/zinc/86/19/73/720861973.db2.gz FJCBOTRIUUUONJ-MISYRCLQSA-N 2 0 408.554 1.443 20 0 HDADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164881148 721172716 /nfs/dbraw/zinc/17/27/16/721172716.db2.gz ZHFRQDOXYNOHPX-LEWJYISDSA-N 2 0 424.549 1.730 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)c2)CC1 ZINC001164802864 721596652 /nfs/dbraw/zinc/59/66/52/721596652.db2.gz VZZFHYNKOVBTGL-SLFFLAALSA-N 2 0 416.522 1.150 20 0 HDADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(OCC3CC[NH2+]CC3)cn2)CC1 ZINC001165012849 721749623 /nfs/dbraw/zinc/74/96/23/721749623.db2.gz OXPUZCLUDNLMBF-UHFFFAOYSA-N 2 0 415.582 1.983 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN1Cc1ccccn1 ZINC000673653110 1073576314 /nfs/dbraw/zinc/57/63/14/1073576314.db2.gz XRMRHAAREASOTL-JOCHJYFZSA-N 2 0 408.550 1.770 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000673661564 1073615634 /nfs/dbraw/zinc/61/56/34/1073615634.db2.gz INFFSGPLSRTXRW-FCHUYYIVSA-N 2 0 400.567 1.565 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)c1 ZINC000673673715 1073630138 /nfs/dbraw/zinc/63/01/38/1073630138.db2.gz UVBRAPOLMAOWMN-QHCPKHFHSA-N 2 0 413.610 1.746 20 0 HDADRP CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000543521737 1073979809 /nfs/dbraw/zinc/97/98/09/1073979809.db2.gz GVTYQLBUNUBKBS-UHFFFAOYSA-N 2 0 408.587 1.138 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000477081849 1074788999 /nfs/dbraw/zinc/78/89/99/1074788999.db2.gz NEUWXFFPOFJKJF-SESVDKBCSA-N 3 0 423.646 1.629 20 0 HDADRP CN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670502890 1074816412 /nfs/dbraw/zinc/81/64/12/1074816412.db2.gz RGGFUTMIJDRIBK-LEWJYISDSA-N 2 0 415.582 1.032 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000429337003 1075104125 /nfs/dbraw/zinc/10/41/25/1075104125.db2.gz SDZAGBFZAYIFLE-KRWDZBQOSA-N 2 0 402.543 1.799 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214276 1075228303 /nfs/dbraw/zinc/22/83/03/1075228303.db2.gz XEXBCWQZTGQOJS-LJQANCHMSA-N 2 0 412.538 1.685 20 0 HDADRP CS(=O)(=O)N1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000675753491 1075264295 /nfs/dbraw/zinc/26/42/95/1075264295.db2.gz ZDWICYZNSXKPIH-UHFFFAOYSA-N 2 0 408.612 1.598 20 0 HDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000676075732 1075343501 /nfs/dbraw/zinc/34/35/01/1075343501.db2.gz PFBLRQJAZQNPCM-FHWLQOOXSA-N 2 0 404.621 1.374 20 0 HDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000676075735 1075343801 /nfs/dbraw/zinc/34/38/01/1075343801.db2.gz PFBLRQJAZQNPCM-QYZOEREBSA-N 2 0 404.621 1.374 20 0 HDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097071 1075360672 /nfs/dbraw/zinc/36/06/72/1075360672.db2.gz TYGVFVNADSFAGP-ROUUACIJSA-N 2 0 404.559 1.496 20 0 HDADRP C[C@H](CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000731756535 1075511819 /nfs/dbraw/zinc/51/18/19/1075511819.db2.gz MUYALBCZPNBUHL-GOSISDBHSA-N 2 0 409.619 1.986 20 0 HDADRP C[C@H](CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000429437377 1075558776 /nfs/dbraw/zinc/55/87/76/1075558776.db2.gz ZKIIKOOPNGFWQT-HKBOAZHASA-N 2 0 423.646 1.791 20 0 HDADRP C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000427236145 1075583658 /nfs/dbraw/zinc/58/36/58/1075583658.db2.gz DQIXYTSDADKPHY-OXQOHEQNSA-N 2 0 412.538 1.896 20 0 HDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676659498 1075640846 /nfs/dbraw/zinc/64/08/46/1075640846.db2.gz RFPSJUZNZDCVMD-MRXNPFEDSA-N 2 0 419.489 1.943 20 0 HDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000487990577 1075805846 /nfs/dbraw/zinc/80/58/46/1075805846.db2.gz CBXMXEYOMMHHOH-SJBKTWHCSA-N 2 0 424.630 1.161 20 0 HDADRP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000511719899 1075817441 /nfs/dbraw/zinc/81/74/41/1075817441.db2.gz BNNFVDOWVLGMEK-PXNSSMCTSA-N 2 0 424.549 1.868 20 0 HDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000732985277 1075938859 /nfs/dbraw/zinc/93/88/59/1075938859.db2.gz DACIIUSDNWMZCZ-UHFFFAOYSA-N 2 0 405.511 1.981 20 0 HDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000733155873 1075988459 /nfs/dbraw/zinc/98/84/59/1075988459.db2.gz FOFIBQBTUBATCR-UHFFFAOYSA-N 2 0 403.571 1.666 20 0 HDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000495396499 1076013284 /nfs/dbraw/zinc/01/32/84/1076013284.db2.gz PNXGZLUDBRXWBX-HXUWFJFHSA-N 2 0 419.570 1.540 20 0 HDADRP CC[NH+](CC)CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000727071822 1076038329 /nfs/dbraw/zinc/03/83/29/1076038329.db2.gz GVGDPEAMPVCHRJ-MRXNPFEDSA-N 2 0 406.662 1.280 20 0 HDADRP C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730949665 1076700050 /nfs/dbraw/zinc/70/00/50/1076700050.db2.gz DHMABBVXSBEPRB-IBGZPJMESA-N 2 0 419.639 1.936 20 0 HDADRP O=C1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)CC2(CC[NH2+]CC2)N1 ZINC001164392690 718809863 /nfs/dbraw/zinc/80/98/63/718809863.db2.gz NUFQCELMBUMKDQ-UHFFFAOYSA-N 2 0 411.884 1.715 20 0 HDADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CC[NH2+]CC4)cn3)CC2)CC1 ZINC001164617466 719030294 /nfs/dbraw/zinc/03/02/94/719030294.db2.gz MEDZVONAXRVCHO-UHFFFAOYSA-N 2 0 401.555 1.735 20 0 HDADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811780 720143640 /nfs/dbraw/zinc/14/36/40/720143640.db2.gz NGWQXACBCMJFLG-XMSQKQJNSA-N 2 0 400.571 1.589 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164821090 720301367 /nfs/dbraw/zinc/30/13/67/720301367.db2.gz JKMLNKDYWVSKBK-QZTJIDSGSA-N 2 0 418.973 1.687 20 0 HDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001164840678 720512187 /nfs/dbraw/zinc/51/21/87/720512187.db2.gz XFLPOIGKUJIUBX-HKBOAZHASA-N 2 0 424.597 1.803 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@H]43)c2)CC1 ZINC001164848205 720804403 /nfs/dbraw/zinc/80/44/03/720804403.db2.gz PECDNVRTSRPBIZ-SLFFLAALSA-N 2 0 400.523 1.675 20 0 HDADRP c1ncn(C[C@H]2C[C@@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746633 720840604 /nfs/dbraw/zinc/84/06/04/720840604.db2.gz PUHXZKMGPQZBQG-NJDAHSKKSA-N 2 0 423.565 1.889 20 0 HDADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164880280 721148688 /nfs/dbraw/zinc/14/86/88/721148688.db2.gz VQMOHOPTEHQVKD-UYAOXDASSA-N 2 0 410.522 1.482 20 0 HDADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164762852 721229733 /nfs/dbraw/zinc/22/97/33/721229733.db2.gz LLCATDZFSUATQK-WOJBJXKFSA-N 2 0 411.554 1.547 20 0 HDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)C1 ZINC001164878539 721292716 /nfs/dbraw/zinc/29/27/16/721292716.db2.gz QYVDUUHUPRHFEF-UHFFFAOYSA-N 2 0 415.582 1.684 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894051 721381780 /nfs/dbraw/zinc/38/17/80/721381780.db2.gz WPAGAHCUNYSTTB-KKSFZXQISA-N 2 0 420.989 1.541 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894412 721427278 /nfs/dbraw/zinc/42/72/78/721427278.db2.gz MKFQOSTUDJOQLS-FYYLOGMGSA-N 2 0 414.598 1.257 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@@H]43)c2)CC1 ZINC001164884872 721459572 /nfs/dbraw/zinc/45/95/72/721459572.db2.gz BMJYKQWJSWZICX-UFYCRDLUSA-N 2 0 400.523 1.817 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2)CC1 ZINC001164898959 721484434 /nfs/dbraw/zinc/48/44/34/721484434.db2.gz XNXQDCIPIKRRPN-JPYJTQIMSA-N 2 0 414.550 1.924 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)c2)CC1 ZINC001164802863 721596638 /nfs/dbraw/zinc/59/66/38/721596638.db2.gz VZZFHYNKOVBTGL-HSALFYBXSA-N 2 0 416.522 1.150 20 0 HDADRP CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]2C1 ZINC001164948833 721990024 /nfs/dbraw/zinc/99/00/24/721990024.db2.gz FJEWTRDZFDITLI-DLBZAZTESA-N 2 0 423.583 1.119 20 0 HDADRP C[NH+](C)Cc1ccnc(N(C[C@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1 ZINC001164952399 721991471 /nfs/dbraw/zinc/99/14/71/721991471.db2.gz PIUYLWQPYFFZKI-XLIONFOSSA-N 2 0 408.568 1.743 20 0 HDADRP CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164953308 722010857 /nfs/dbraw/zinc/01/08/57/722010857.db2.gz DXLSNXKZLPDJSM-HTAPYJJXSA-N 2 0 417.554 1.954 20 0 HDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000429081702 1073526250 /nfs/dbraw/zinc/52/62/50/1073526250.db2.gz HFJBLQLYHXOPAS-UHFFFAOYSA-N 2 0 403.571 1.898 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673653113 1073576432 /nfs/dbraw/zinc/57/64/32/1073576432.db2.gz XRMRHAAREASOTL-QFIPXVFZSA-N 2 0 408.550 1.770 20 0 HDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713793 1073653568 /nfs/dbraw/zinc/65/35/68/1073653568.db2.gz GCPIZOIWFYKFEK-FGZHOGPDSA-N 2 0 402.583 1.666 20 0 HDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000543492970 1073822325 /nfs/dbraw/zinc/82/23/25/1073822325.db2.gz DHFJBHHDAJMIET-OAQYLSRUSA-N 2 0 416.566 1.290 20 0 HDADRP CC(C)(CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000674089365 1074179923 /nfs/dbraw/zinc/17/99/23/1074179923.db2.gz DTCBUGIXNZPZKA-PMACEKPBSA-N 2 0 404.599 1.994 20 0 HDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674182568 1074216174 /nfs/dbraw/zinc/21/61/74/1074216174.db2.gz PXHKGLGVENOPNK-YADHBBJMSA-N 2 0 416.566 1.384 20 0 HDADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710074 1074537128 /nfs/dbraw/zinc/53/71/28/1074537128.db2.gz WPRUHKRTRMWEMT-VQHPVUNQSA-N 2 0 411.550 1.792 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000477006175 1074685069 /nfs/dbraw/zinc/68/50/69/1074685069.db2.gz KYTRIOMJAINZMS-SFHVURJKSA-N 2 0 403.571 1.993 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000477091024 1074791264 /nfs/dbraw/zinc/79/12/64/1074791264.db2.gz AXTLRMIJQNYOGW-QRVBRYPASA-N 2 0 418.582 1.759 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000509340736 1075154515 /nfs/dbraw/zinc/15/45/15/1075154515.db2.gz HBTGFQQZZCBWLT-UHFFFAOYSA-N 2 0 416.570 1.242 20 0 HDADRP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675577137 1075209869 /nfs/dbraw/zinc/20/98/69/1075209869.db2.gz XDWVVQPGINOLOW-VXKWHMMOSA-N 2 0 415.582 1.309 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581679 1075212485 /nfs/dbraw/zinc/21/24/85/1075212485.db2.gz HHXROGWMOKOLAA-UXHICEINSA-N 2 0 407.603 1.835 20 0 HDADRP C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000675736469 1075261336 /nfs/dbraw/zinc/26/13/36/1075261336.db2.gz TZBJGDQKVZRIGX-HZPDHXFCSA-N 2 0 417.597 1.002 20 0 HDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675813468 1075275511 /nfs/dbraw/zinc/27/55/11/1075275511.db2.gz IIPMNFPXQDFCEF-SFHVURJKSA-N 2 0 407.526 1.705 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000675887411 1075289492 /nfs/dbraw/zinc/28/94/92/1075289492.db2.gz IDDLKCRFIGDOQS-HXUWFJFHSA-N 2 0 417.554 1.787 20 0 HDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1Cc1ccccc1 ZINC000676099072 1075365799 /nfs/dbraw/zinc/36/57/99/1075365799.db2.gz BQFBNACBWMZXLW-SJLPKXTDSA-N 2 0 404.474 1.985 20 0 HDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676091743 1075375944 /nfs/dbraw/zinc/37/59/44/1075375944.db2.gz JYJTUWXIOSOEPK-UHFFFAOYSA-N 2 0 412.538 1.426 20 0 HDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC000676548827 1075596351 /nfs/dbraw/zinc/59/63/51/1075596351.db2.gz ZVTDOHHILUUESR-SFHVURJKSA-N 2 0 404.559 1.354 20 0 HDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427010761 1075790910 /nfs/dbraw/zinc/79/09/10/1075790910.db2.gz YJNFDMBZUSDWKA-IEBWSBKVSA-N 2 0 424.549 2.040 20 0 HDADRP C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766181663 1075808551 /nfs/dbraw/zinc/80/85/51/1075808551.db2.gz DEVNWEJJBNWGGQ-BEFAXECRSA-N 2 0 409.556 1.034 20 0 HDADRP COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611180901 1075868521 /nfs/dbraw/zinc/86/85/21/1075868521.db2.gz FKIREBPUVYYNCZ-SFHVURJKSA-N 2 0 408.587 1.277 20 0 HDADRP CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000611211211 1075874731 /nfs/dbraw/zinc/87/47/31/1075874731.db2.gz UDRWKOYTMMDVGQ-SIKLNZKXSA-N 2 0 419.566 1.965 20 0 HDADRP Cc1cn(C)c(CC(=O)NCC[NH+]2CCCCC2)c1C(=O)NCC[NH+]1CCCCC1 ZINC000494271567 1075999401 /nfs/dbraw/zinc/99/94/01/1075999401.db2.gz RBWJUZHBOWMBQE-UHFFFAOYSA-N 2 0 417.598 1.694 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730921395 1076693783 /nfs/dbraw/zinc/69/37/83/1076693783.db2.gz SLGURBUUFXWIAY-OAQYLSRUSA-N 2 0 413.566 1.854 20 0 HDADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1cccc(OCC[NH+]2CCCC2)n1 ZINC001164652588 719327023 /nfs/dbraw/zinc/32/70/23/719327023.db2.gz CJXCDILTQVHOMR-UHFFFAOYSA-N 2 0 421.523 1.156 20 0 HDADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164683014 719710210 /nfs/dbraw/zinc/71/02/10/719710210.db2.gz HUVBXGHYAYGTQC-UHFFFAOYSA-N 2 0 406.962 1.778 20 0 HDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]21 ZINC001164840669 720512204 /nfs/dbraw/zinc/51/22/04/720512204.db2.gz XFLPOIGKUJIUBX-ACRUOGEOSA-N 2 0 424.597 1.803 20 0 HDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164834979 720551796 /nfs/dbraw/zinc/55/17/96/720551796.db2.gz GGAPEHBIPKEAJO-AABGKKOBSA-N 2 0 410.570 1.461 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164854805 720846342 /nfs/dbraw/zinc/84/63/42/720846342.db2.gz SNMJATFDJDRUHZ-WMZOPIPTSA-N 2 0 409.962 1.771 20 0 HDADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH+]cc21 ZINC001164854889 720871864 /nfs/dbraw/zinc/87/18/64/720871864.db2.gz GGBAHTHHCHWQIA-DNVCBOLYSA-N 2 0 402.495 1.913 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164855626 720890123 /nfs/dbraw/zinc/89/01/23/720890123.db2.gz HMQWPYVRHNARTC-PZJWPPBQSA-N 2 0 404.555 1.634 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164869558 721045038 /nfs/dbraw/zinc/04/50/38/721045038.db2.gz UHSLBNFXGUUNRA-HZPDHXFCSA-N 2 0 400.914 1.650 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894048 721381799 /nfs/dbraw/zinc/38/17/99/721381799.db2.gz WPAGAHCUNYSTTB-HRAATJIYSA-N 2 0 420.989 1.541 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895417 721424942 /nfs/dbraw/zinc/42/49/42/721424942.db2.gz OUTJPEAWYMMTPY-NZQKXSOJSA-N 2 0 414.598 1.709 20 0 HDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164785761 721463114 /nfs/dbraw/zinc/46/31/14/721463114.db2.gz NIGCNFRWCGHRAM-HXUWFJFHSA-N 2 0 415.582 1.856 20 0 HDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164788829 721474108 /nfs/dbraw/zinc/47/41/08/721474108.db2.gz LPMYRYJPNATDFA-FQEVSTJZSA-N 2 0 415.582 1.897 20 0 HDADRP C[NH+]1CCN(c2cccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@H]43)c3ncccn3)n2)CC1 ZINC001164790540 721484256 /nfs/dbraw/zinc/48/42/56/721484256.db2.gz FSMFVRSWXZLILR-OTWHNJEPSA-N 2 0 409.538 1.386 20 0 HDADRP Cc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc1C1C[NH2+]C1 ZINC001164963926 722062602 /nfs/dbraw/zinc/06/26/02/722062602.db2.gz DJUNQQJARFJXEA-UHFFFAOYSA-N 2 0 408.550 1.986 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980528 722129232 /nfs/dbraw/zinc/12/92/32/722129232.db2.gz RRCOPFNWPJSVFY-VXKWHMMOSA-N 2 0 422.577 1.956 20 0 HDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000673650327 1073549574 /nfs/dbraw/zinc/54/95/74/1073549574.db2.gz NEOLJYDNXCCDHR-QFIPXVFZSA-N 2 0 400.567 1.912 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000673669484 1073621699 /nfs/dbraw/zinc/62/16/99/1073621699.db2.gz RSZSCNSEFRDXJR-NRFANRHFSA-N 2 0 413.610 1.792 20 0 HDADRP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670491 1073624122 /nfs/dbraw/zinc/62/41/22/1073624122.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 2 0 400.567 1.250 20 0 HDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670610 1073625374 /nfs/dbraw/zinc/62/53/74/1073625374.db2.gz ZWSSSDJYTZCJJK-QHCPKHFHSA-N 2 0 413.610 1.826 20 0 HDADRP CN(C)c1nc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000673850067 1073816296 /nfs/dbraw/zinc/81/62/96/1073816296.db2.gz RMHOGVJTNITBHE-UHFFFAOYSA-N 2 0 403.556 1.616 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000673867033 1073845658 /nfs/dbraw/zinc/84/56/58/1073845658.db2.gz HPWRGSLGOSOYJB-UHFFFAOYSA-N 2 0 421.590 1.393 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCC1CCS(=O)(=O)CC1 ZINC000509177400 1073936915 /nfs/dbraw/zinc/93/69/15/1073936915.db2.gz GJCCHBBUKFFHGY-UHFFFAOYSA-N 2 0 423.583 1.108 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000675103082 1074719789 /nfs/dbraw/zinc/71/97/89/1074719789.db2.gz IFGIBCKYMQAVKQ-FCEUIQTBSA-N 2 0 415.582 1.355 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000477056935 1074762877 /nfs/dbraw/zinc/76/28/77/1074762877.db2.gz MOZSKIXBKLGZEE-SFHVURJKSA-N 2 0 403.571 1.393 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676040881 1075338238 /nfs/dbraw/zinc/33/82/38/1075338238.db2.gz ZRKAJXFAWGLXGB-WOJBJXKFSA-N 2 0 407.603 1.978 20 0 HDADRP COc1cccc([C@H](CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[NH+](C)C)c1 ZINC000676090566 1075374844 /nfs/dbraw/zinc/37/48/44/1075374844.db2.gz ZIJZINVLLXKYMC-IBGZPJMESA-N 2 0 408.462 1.634 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000676092990 1075377119 /nfs/dbraw/zinc/37/71/19/1075377119.db2.gz AWAWBXNVOOMXPY-INIZCTEOSA-N 2 0 418.567 1.473 20 0 HDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000731543640 1075384815 /nfs/dbraw/zinc/38/48/15/1075384815.db2.gz OGBWOQHEGOKYLD-UHFFFAOYSA-N 2 0 403.571 1.832 20 0 HDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)CC1 ZINC000676357850 1075531535 /nfs/dbraw/zinc/53/15/35/1075531535.db2.gz HXJJVOJUJIOUCU-HXUWFJFHSA-N 2 0 420.646 1.355 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000676547371 1075592656 /nfs/dbraw/zinc/59/26/56/1075592656.db2.gz ZPUGUTPDZDSYHZ-UHFFFAOYSA-N 2 0 404.559 1.498 20 0 HDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427010763 1075600145 /nfs/dbraw/zinc/60/01/45/1075600145.db2.gz YJNFDMBZUSDWKA-PKOBYXMFSA-N 2 0 424.549 2.040 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000466742048 1075678589 /nfs/dbraw/zinc/67/85/89/1075678589.db2.gz WIQGTFDCYWNDLO-UHFFFAOYSA-N 2 0 422.614 1.670 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000509447400 1075765850 /nfs/dbraw/zinc/76/58/50/1075765850.db2.gz BVASNNIOCNCSQH-IBGZPJMESA-N 2 0 415.582 1.629 20 0 HDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000804242262 1075798762 /nfs/dbraw/zinc/79/87/62/1075798762.db2.gz DAFGYULIIOWZOE-UHFFFAOYSA-N 2 0 402.583 1.856 20 0 HDADRP O=C1CC2(CN1)CC[NH+](Cc1ccccc1C[NH+]1CCC3(CNC(=O)C3)CC1)CC2 ZINC000489289786 1075878299 /nfs/dbraw/zinc/87/82/99/1075878299.db2.gz JUCDBKQMLJFKLS-UHFFFAOYSA-N 2 0 410.562 1.891 20 0 HDADRP CCN1C(=O)c2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2S1(=O)=O ZINC000733157233 1075990302 /nfs/dbraw/zinc/99/03/02/1075990302.db2.gz WFZQZKZNFCIBNT-UHFFFAOYSA-N 2 0 424.567 1.197 20 0 HDADRP CC[NH+]1CCC[C@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000493266789 1075990726 /nfs/dbraw/zinc/99/07/26/1075990726.db2.gz ZRUYNWCHVMNCCG-OALUTQOASA-N 2 0 417.598 1.691 20 0 HDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000495357536 1076007381 /nfs/dbraw/zinc/00/73/81/1076007381.db2.gz HSIPELDAASLJEF-UHFFFAOYSA-N 2 0 401.555 1.455 20 0 HDADRP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@@H]54)n3)[C@H]2C1 ZINC000498095085 1076353657 /nfs/dbraw/zinc/35/36/57/1076353657.db2.gz OPMVSHWQNYXVCS-JWWGGVBKSA-N 2 0 411.550 1.414 20 0 HDADRP Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(N(C)C)[nH+]1 ZINC001164711938 720170313 /nfs/dbraw/zinc/17/03/13/720170313.db2.gz DUZMLTUJVSMKSQ-QGZVFWFLSA-N 2 0 400.531 1.196 20 0 HDADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739620 720663165 /nfs/dbraw/zinc/66/31/65/720663165.db2.gz OHGYRCVMOBFEPT-CVEARBPZSA-N 2 0 415.929 1.729 20 0 HDADRP C[C@@H]1CCCN1C(=O)c1nn(-c2cccc(N3CC[NH+](C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164844623 720805509 /nfs/dbraw/zinc/80/55/09/720805509.db2.gz CGAZRNKTQQSVDU-MRXNPFEDSA-N 2 0 409.538 1.289 20 0 HDADRP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746034 720862018 /nfs/dbraw/zinc/86/20/18/720862018.db2.gz FJCBOTRIUUUONJ-YSIASYRMSA-N 2 0 408.554 1.443 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891883 721390350 /nfs/dbraw/zinc/39/03/50/721390350.db2.gz RDGMGZPKJVDBAZ-IERDGZPVSA-N 2 0 420.989 1.541 20 0 HDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)CC[NH2+]C3)CC2 ZINC001164783614 721453163 /nfs/dbraw/zinc/45/31/63/721453163.db2.gz CKCLEXUFKLDPBE-HXUWFJFHSA-N 2 0 415.582 1.856 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)nn2)CC1 ZINC001164959492 722050813 /nfs/dbraw/zinc/05/08/13/722050813.db2.gz LFEALLFUXFABJH-NJNPRVFISA-N 2 0 409.538 1.529 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3C2)c1 ZINC001164976021 722133422 /nfs/dbraw/zinc/13/34/22/722133422.db2.gz GKTXNGYALYDKGI-IFMALSPDSA-N 2 0 408.550 1.614 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1CC[NH2+]C3)CCC2 ZINC001164999545 722251258 /nfs/dbraw/zinc/25/12/58/722251258.db2.gz BFIRJYINMYGVNR-UHFFFAOYSA-N 2 0 405.934 1.461 20 0 HDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671415096 1073570659 /nfs/dbraw/zinc/57/06/59/1073570659.db2.gz IYFXILYACKWXRH-AZUAARDMSA-N 2 0 407.518 1.682 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000429103355 1073580905 /nfs/dbraw/zinc/58/09/05/1073580905.db2.gz MXCYJIJHHWKADQ-NRFANRHFSA-N 3 0 400.571 1.910 20 0 HDADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000673775320 1073708305 /nfs/dbraw/zinc/70/83/05/1073708305.db2.gz BILLPMLCTFOEBQ-FPOVZHCZSA-N 2 0 415.582 1.880 20 0 HDADRP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000673775321 1073708604 /nfs/dbraw/zinc/70/86/04/1073708604.db2.gz BILLPMLCTFOEBQ-PZJWPPBQSA-N 2 0 415.582 1.880 20 0 HDADRP CC(C)(CO)[NH+]1CCN(Cc2ccc(CN3CC[NH+](C(C)(C)CO)CC3)cc2)CC1 ZINC000673896679 1073866627 /nfs/dbraw/zinc/86/66/27/1073866627.db2.gz ZBURJYIEYKQEBF-UHFFFAOYSA-N 2 0 418.626 1.464 20 0 HDADRP C[NH+](C)CC1(NC(=O)COc2ccc(C(=O)NC3(C[NH+](C)C)CCC3)cc2)CCC1 ZINC000466570047 1073976741 /nfs/dbraw/zinc/97/67/41/1073976741.db2.gz MQFARYCSSPDLTQ-UHFFFAOYSA-N 2 0 416.566 1.880 20 0 HDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)C[C@@H](C)O1 ZINC000429182780 1073981937 /nfs/dbraw/zinc/98/19/37/1073981937.db2.gz NHDNVHCEWWBNIY-WOJBJXKFSA-N 2 0 423.646 1.933 20 0 HDADRP CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC000543579235 1074163105 /nfs/dbraw/zinc/16/31/05/1074163105.db2.gz CMDVEFOFCYMSBJ-GOSISDBHSA-N 2 0 424.611 1.687 20 0 HDADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000674321285 1074271368 /nfs/dbraw/zinc/27/13/68/1074271368.db2.gz UPEHOVANHTWWMR-UHFFFAOYSA-N 2 0 416.566 1.881 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674329379 1074285331 /nfs/dbraw/zinc/28/53/31/1074285331.db2.gz XJOWBPFMRPEHNR-UHFFFAOYSA-N 2 0 403.571 1.609 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000674922703 1074623073 /nfs/dbraw/zinc/62/30/73/1074623073.db2.gz GZXGGGSSRVBWLA-PMACEKPBSA-N 2 0 403.527 1.183 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC000675087620 1074703015 /nfs/dbraw/zinc/70/30/15/1074703015.db2.gz OVFZNKDAVXBIOP-UHFFFAOYSA-N 2 0 422.545 1.509 20 0 HDADRP CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)CC2)CC1 ZINC000427100266 1074765045 /nfs/dbraw/zinc/76/50/45/1074765045.db2.gz LQQWEZJYQKFJLQ-UHFFFAOYSA-N 2 0 416.570 1.811 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000477091022 1074791484 /nfs/dbraw/zinc/79/14/84/1074791484.db2.gz AXTLRMIJQNYOGW-GBESFXJTSA-N 2 0 418.582 1.759 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477101283 1074799407 /nfs/dbraw/zinc/79/94/07/1074799407.db2.gz QDIKEFYTWKXXCL-IPMKNSEASA-N 2 0 410.603 1.571 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000477107821 1074810543 /nfs/dbraw/zinc/81/05/43/1074810543.db2.gz NJTRLIWFHYPLHD-SFHVURJKSA-N 2 0 410.603 1.763 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000509346049 1075181918 /nfs/dbraw/zinc/18/19/18/1075181918.db2.gz UYWJYKJEZZKSHN-PMACEKPBSA-N 2 0 409.619 1.940 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000675934634 1075296358 /nfs/dbraw/zinc/29/63/58/1075296358.db2.gz QVZYQFGIYZFPMA-YLJYHZDGSA-N 2 0 402.539 1.898 20 0 HDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@H](C)C1 ZINC000676075734 1075343933 /nfs/dbraw/zinc/34/39/33/1075343933.db2.gz PFBLRQJAZQNPCM-QRVBRYPASA-N 2 0 404.621 1.374 20 0 HDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000676094267 1075356561 /nfs/dbraw/zinc/35/65/61/1075356561.db2.gz HCZQUMQASNPVFN-UHFFFAOYSA-N 2 0 400.527 1.282 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000676095946 1075357376 /nfs/dbraw/zinc/35/73/76/1075357376.db2.gz XXAACKJGHXSTMM-IBGZPJMESA-N 2 0 404.559 1.544 20 0 HDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676097940 1075361214 /nfs/dbraw/zinc/36/12/14/1075361214.db2.gz XVERZENRNVAQEN-HXUWFJFHSA-N 2 0 404.474 1.939 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000676098073 1075362493 /nfs/dbraw/zinc/36/24/93/1075362493.db2.gz YGUUHRPPNHPAFB-UHFFFAOYSA-N 2 0 412.494 1.309 20 0 HDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098072 1075362569 /nfs/dbraw/zinc/36/25/69/1075362569.db2.gz YFSIVBRVOAEZFM-LJQANCHMSA-N 2 0 412.538 1.364 20 0 HDADRP CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000676097200 1075362597 /nfs/dbraw/zinc/36/25/97/1075362597.db2.gz KAGOLPCKVSQUNZ-HXUWFJFHSA-N 2 0 412.538 1.506 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676097194 1075362611 /nfs/dbraw/zinc/36/26/11/1075362611.db2.gz JVJPQNDPPBUMNK-UHFFFAOYSA-N 2 0 400.483 1.211 20 0 HDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1Cc1ccccc1 ZINC000676099071 1075365761 /nfs/dbraw/zinc/36/57/61/1075365761.db2.gz BQFBNACBWMZXLW-FUHWJXTLSA-N 2 0 404.474 1.985 20 0 HDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731687299 1075449457 /nfs/dbraw/zinc/44/94/57/1075449457.db2.gz MHULXOJFVHMGQZ-UHFFFAOYSA-N 2 0 403.502 1.717 20 0 HDADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451563 1075558227 /nfs/dbraw/zinc/55/82/27/1075558227.db2.gz FTBJNDBWOIORIM-RBUKOAKNSA-N 2 0 410.522 1.479 20 0 HDADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+](C)Cc1ccccc1 ZINC000426928746 1075572661 /nfs/dbraw/zinc/57/26/61/1075572661.db2.gz KHKYFOJUMISGMY-KRWDZBQOSA-N 2 0 412.538 1.725 20 0 HDADRP CNC(=O)c1cncc(/C=C\C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000732066596 1075600737 /nfs/dbraw/zinc/60/07/37/1075600737.db2.gz SNBMUAIOBPTKKO-ARJAWSKDSA-N 2 0 408.506 1.178 20 0 HDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000676624615 1075629516 /nfs/dbraw/zinc/62/95/16/1075629516.db2.gz FNARQMCEARFELR-HSALFYBXSA-N 2 0 401.555 1.304 20 0 HDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000676684108 1075647257 /nfs/dbraw/zinc/64/72/57/1075647257.db2.gz APUFBTYBMMDWTN-SFHVURJKSA-N 2 0 402.587 1.932 20 0 HDADRP CC(C)(CO)[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000676702296 1075652156 /nfs/dbraw/zinc/65/21/56/1075652156.db2.gz UMJUDHBVYUHLBP-FQEVSTJZSA-N 2 0 423.001 1.982 20 0 HDADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000543687350 1075712215 /nfs/dbraw/zinc/71/22/15/1075712215.db2.gz IBMUZTCHJBUAME-NRFANRHFSA-N 2 0 404.555 1.241 20 0 HDADRP C[NH+](C)CCOc1cnccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000554758153 1075727088 /nfs/dbraw/zinc/72/70/88/1075727088.db2.gz RZITVUUGXKTHET-UHFFFAOYSA-N 2 0 401.515 1.807 20 0 HDADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H]1c1cccs1 ZINC000441946333 1075790516 /nfs/dbraw/zinc/79/05/16/1075790516.db2.gz IPGWGSZGZDNZRP-DNVCBOLYSA-N 2 0 424.530 2.467 20 0 HDADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000511719898 1075818467 /nfs/dbraw/zinc/81/84/67/1075818467.db2.gz BNNFVDOWVLGMEK-FXAWDEMLSA-N 2 0 424.549 1.868 20 0 HDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)c2C1 ZINC000568907670 1075865749 /nfs/dbraw/zinc/86/57/49/1075865749.db2.gz NFJHXCOBDUJQJF-MRXNPFEDSA-N 2 0 412.538 2.382 20 0 HDADRP CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)n2)CC[NH+]1C ZINC000489367046 1075882689 /nfs/dbraw/zinc/88/26/89/1075882689.db2.gz KHRKLWHVNSFYGP-OYRHEFFESA-N 2 0 415.582 1.906 20 0 HDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000733156380 1075989591 /nfs/dbraw/zinc/98/95/91/1075989591.db2.gz KCMFCQGEVZPQED-UHFFFAOYSA-N 2 0 414.572 1.410 20 0 HDADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000511822858 1075999079 /nfs/dbraw/zinc/99/90/79/1075999079.db2.gz IVGLAGIZBNJMKJ-XJUOHMSHSA-N 2 0 404.599 1.206 20 0 HDADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164422080 718895846 /nfs/dbraw/zinc/89/58/46/718895846.db2.gz SQVOIDXISRGDTP-DMPWYTOCSA-N 2 0 401.555 1.808 20 0 HDADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164690279 719756037 /nfs/dbraw/zinc/75/60/37/719756037.db2.gz YEAVRKLKQFGRSG-UHFFFAOYSA-N 2 0 401.555 1.641 20 0 HDADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807951 720075758 /nfs/dbraw/zinc/07/57/58/720075758.db2.gz GPXUTTRLPBWPAM-KNQAVFIVSA-N 2 0 400.571 1.413 20 0 HDADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811775 720142092 /nfs/dbraw/zinc/14/20/92/720142092.db2.gz NGWQXACBCMJFLG-AVRDEDQJSA-N 2 0 400.571 1.589 20 0 HDADRP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743366 720743022 /nfs/dbraw/zinc/74/30/22/720743022.db2.gz PSNMOTOTQVKTSO-RTBURBONSA-N 2 0 410.522 1.688 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)c2)CC1 ZINC001164847295 720823005 /nfs/dbraw/zinc/82/30/05/720823005.db2.gz ITRDNOMJLGDBGT-HSALFYBXSA-N 2 0 416.522 1.845 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164854803 720846618 /nfs/dbraw/zinc/84/66/18/720846618.db2.gz SNMJATFDJDRUHZ-FUHWJXTLSA-N 2 0 409.962 1.771 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164853357 720886909 /nfs/dbraw/zinc/88/69/09/720886909.db2.gz CAXGAOAQBBGTDE-RXVVDRJESA-N 3 0 404.555 1.728 20 0 HDADRP C[NH+]1CCN(c2ccc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)nn2)CC1 ZINC001164759934 721041216 /nfs/dbraw/zinc/04/12/16/721041216.db2.gz AXONFOHHYIUPPB-UHFFFAOYSA-N 2 0 419.537 1.304 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164869559 721044731 /nfs/dbraw/zinc/04/47/31/721044731.db2.gz UHSLBNFXGUUNRA-JKSUJKDBSA-N 2 0 400.914 1.650 20 0 HDADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164880274 721149165 /nfs/dbraw/zinc/14/91/65/721149165.db2.gz VQMOHOPTEHQVKD-ICSRJNTNSA-N 2 0 410.522 1.482 20 0 HDADRP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164881149 721173539 /nfs/dbraw/zinc/17/35/39/721173539.db2.gz ZHFRQDOXYNOHPX-NHCUHLMSSA-N 2 0 424.549 1.730 20 0 HDADRP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762841 721229863 /nfs/dbraw/zinc/22/98/63/721229863.db2.gz LLCATDZFSUATQK-UXHICEINSA-N 2 0 411.554 1.547 20 0 HDADRP Cc1cc(N2CCCC2)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164874253 721261627 /nfs/dbraw/zinc/26/16/27/721261627.db2.gz JZMIUZRXXQSMHI-UHFFFAOYSA-N 2 0 416.570 1.392 20 0 HDADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)nc4c2CC[NH2+]C4)CC3)CC1 ZINC001164797316 721517772 /nfs/dbraw/zinc/51/77/72/721517772.db2.gz JYZAAVVQHHOMTF-UHFFFAOYSA-N 2 0 401.946 1.345 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978052 722130316 /nfs/dbraw/zinc/13/03/16/722130316.db2.gz JKLVGYDNZKTHPH-CTNGQTDRSA-N 2 0 423.565 1.526 20 0 HDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000673637722 1073468389 /nfs/dbraw/zinc/46/83/89/1073468389.db2.gz PLOZPKONEJOXEV-UHFFFAOYSA-N 2 0 424.549 1.524 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)c1 ZINC000673669485 1073621565 /nfs/dbraw/zinc/62/15/65/1073621565.db2.gz RSZSCNSEFRDXJR-OAQYLSRUSA-N 2 0 413.610 1.792 20 0 HDADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673879262 1073850953 /nfs/dbraw/zinc/85/09/53/1073850953.db2.gz XMKJRIORLBZAOL-HXUWFJFHSA-N 2 0 407.603 1.489 20 0 HDADRP COc1cccc(COC[C@@H](O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543522510 1073979872 /nfs/dbraw/zinc/97/98/72/1073979872.db2.gz MJXSRMNDBZCLTM-NRFANRHFSA-N 2 0 405.583 1.922 20 0 HDADRP CC(C)(CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000674089373 1074180694 /nfs/dbraw/zinc/18/06/94/1074180694.db2.gz DTCBUGIXNZPZKA-WOJBJXKFSA-N 2 0 404.599 1.994 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000674327981 1074277472 /nfs/dbraw/zinc/27/74/72/1074277472.db2.gz FJEHFHYRMDCUJM-QFIPXVFZSA-N 2 0 417.598 1.775 20 0 HDADRP C[NH+]1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000142185703 1074515054 /nfs/dbraw/zinc/51/50/54/1074515054.db2.gz HCULPBQSGYJGMH-UHFFFAOYSA-N 2 0 415.582 1.406 20 0 HDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000674882514 1074601157 /nfs/dbraw/zinc/60/11/57/1074601157.db2.gz OSUZSLJOWSGITC-HSZRJFAPSA-N 2 0 415.626 1.715 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000477081845 1074789084 /nfs/dbraw/zinc/78/90/84/1074789084.db2.gz NEUWXFFPOFJKJF-CEWLAPEOSA-N 3 0 423.646 1.629 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000477103203 1074801159 /nfs/dbraw/zinc/80/11/59/1074801159.db2.gz UYDWTBRPZBTUDH-AZUAARDMSA-N 2 0 404.555 1.240 20 0 HDADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000670510575 1075094137 /nfs/dbraw/zinc/09/41/37/1075094137.db2.gz QAVHIMZDBSOICW-UTKZUKDTSA-N 2 0 416.566 1.795 20 0 HDADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427016831 1075095671 /nfs/dbraw/zinc/09/56/71/1075095671.db2.gz PZLSZELJRCYGJX-UHFFFAOYSA-N 2 0 418.586 2.059 20 0 HDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000675569059 1075207880 /nfs/dbraw/zinc/20/78/80/1075207880.db2.gz PSRDUMMDQRCWBC-SFHVURJKSA-N 2 0 424.611 1.829 20 0 HDADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000675568086 1075217844 /nfs/dbraw/zinc/21/78/44/1075217844.db2.gz JVKDDMKPFRKZSW-KRWDZBQOSA-N 2 0 424.611 1.685 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000675887410 1075289563 /nfs/dbraw/zinc/28/95/63/1075289563.db2.gz IDDLKCRFIGDOQS-FQEVSTJZSA-N 2 0 417.554 1.787 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000675934631 1075296416 /nfs/dbraw/zinc/29/64/16/1075296416.db2.gz QVZYQFGIYZFPMA-FXAWDEMLSA-N 2 0 402.539 1.898 20 0 HDADRP Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[NH+]2CCCC2)cc1 ZINC000532997331 1075330589 /nfs/dbraw/zinc/33/05/89/1075330589.db2.gz WCBXDMNTCRQQDR-LJQANCHMSA-N 2 0 412.538 1.645 20 0 HDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676092031 1075352949 /nfs/dbraw/zinc/35/29/49/1075352949.db2.gz TUGKYMCWOFGESG-UHFFFAOYSA-N 2 0 412.538 1.472 20 0 HDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094195 1075356932 /nfs/dbraw/zinc/35/69/32/1075356932.db2.gz SXPOBWHNXJZSLF-UHFFFAOYSA-N 2 0 410.453 1.935 20 0 HDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098909 1075363109 /nfs/dbraw/zinc/36/31/09/1075363109.db2.gz HFOPOCJUVRVALO-YLJYHZDGSA-N 2 0 412.538 1.410 20 0 HDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1Cc1ccccc1 ZINC000676099073 1075366419 /nfs/dbraw/zinc/36/64/19/1075366419.db2.gz BQFBNACBWMZXLW-WMZOPIPTSA-N 2 0 404.474 1.985 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000676129448 1075389914 /nfs/dbraw/zinc/38/99/14/1075389914.db2.gz KQBUJNHLBUEWBL-ICSRJNTNSA-N 2 0 400.527 1.449 20 0 HDADRP CC[C@H](C)n1nc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000439218684 1075488644 /nfs/dbraw/zinc/48/86/44/1075488644.db2.gz WQEWJTHIGDYACV-WMZOPIPTSA-N 2 0 406.575 1.976 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000676394339 1075541890 /nfs/dbraw/zinc/54/18/90/1075541890.db2.gz ZMYWCEIWOOSAAV-QFIPXVFZSA-N 2 0 400.567 1.877 20 0 HDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451984 1075557328 /nfs/dbraw/zinc/55/73/28/1075557328.db2.gz LMVAOPPRUBCOHN-PMACEKPBSA-N 2 0 424.549 1.787 20 0 HDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456664 1075624514 /nfs/dbraw/zinc/62/45/14/1075624514.db2.gz RVQWSFNUVKPPDZ-ZWKOTPCHSA-N 2 0 415.582 1.737 20 0 HDADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000676719503 1075655001 /nfs/dbraw/zinc/65/50/01/1075655001.db2.gz HECUVPFJUQDYRR-FQEVSTJZSA-N 2 0 400.567 1.956 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000466709564 1075723258 /nfs/dbraw/zinc/72/32/58/1075723258.db2.gz DWAXOMJIOMMXAM-AEFFLSMTSA-N 2 0 404.474 1.985 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@H]1C1OCCO1 ZINC000732458175 1075749054 /nfs/dbraw/zinc/74/90/54/1075749054.db2.gz FDJGEGYERWHYFK-IBGZPJMESA-N 2 0 403.527 1.531 20 0 HDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442623203 1075765273 /nfs/dbraw/zinc/76/52/73/1075765273.db2.gz RYCMNIFKZAZWRG-IBGZPJMESA-N 2 0 418.501 2.186 20 0 HDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442623205 1075766683 /nfs/dbraw/zinc/76/66/83/1075766683.db2.gz RYCMNIFKZAZWRG-LJQANCHMSA-N 2 0 418.501 2.186 20 0 HDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000487990576 1075805763 /nfs/dbraw/zinc/80/57/63/1075805763.db2.gz CBXMXEYOMMHHOH-RZUBCFFCSA-N 2 0 424.630 1.161 20 0 HDADRP COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000611181141 1075868231 /nfs/dbraw/zinc/86/82/31/1075868231.db2.gz OMDLUIUPXFNGDR-NRFANRHFSA-N 2 0 419.566 1.703 20 0 HDADRP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000733155987 1075988734 /nfs/dbraw/zinc/98/87/34/1075988734.db2.gz IMYAHXVSGDAEBT-UHFFFAOYSA-N 2 0 404.559 1.153 20 0 HDADRP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@@H]54)o3)[C@H]2C1 ZINC000493468379 1075991620 /nfs/dbraw/zinc/99/16/20/1075991620.db2.gz WFORHTDPXAVEEW-MHORFTMASA-N 2 0 400.523 1.612 20 0 HDADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000730272500 1076516914 /nfs/dbraw/zinc/51/69/14/1076516914.db2.gz RGVAXHLHGKEOHE-ZWKOTPCHSA-N 2 0 422.570 1.787 20 0 HDADRP NC(=O)COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1 ZINC000731040777 1076716905 /nfs/dbraw/zinc/71/69/05/1076716905.db2.gz AKVXIVQHSFVRBW-HXUWFJFHSA-N 2 0 410.518 1.538 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001164690367 719757559 /nfs/dbraw/zinc/75/75/59/719757559.db2.gz AZZITTFOBFINNK-KKSFZXQISA-N 2 0 413.501 1.422 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+][nH]c(Cl)c3ncnc2-3)CC1 ZINC001164823329 720326583 /nfs/dbraw/zinc/32/65/83/720326583.db2.gz AOWYVOAGAPRLIA-KBPBESRZSA-N 2 0 403.918 1.918 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cccc(N3CCOCC3)[nH+]2)CC1 ZINC001164823237 720331212 /nfs/dbraw/zinc/33/12/12/720331212.db2.gz ABAJKZPGNLEMKB-VQTJNVASSA-N 2 0 413.566 1.830 20 0 HDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164834982 720552638 /nfs/dbraw/zinc/55/26/38/720552638.db2.gz GGAPEHBIPKEAJO-UFYCRDLUSA-N 2 0 410.570 1.461 20 0 HDADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739622 720662732 /nfs/dbraw/zinc/66/27/32/720662732.db2.gz OHGYRCVMOBFEPT-HOTGVXAUSA-N 2 0 415.929 1.729 20 0 HDADRP CN(C)C(=O)NC[C@@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]12 ZINC001164758960 721000392 /nfs/dbraw/zinc/00/03/92/721000392.db2.gz XRUOFWGCZYLYLJ-UXPWSPDFSA-N 2 0 417.554 1.667 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164865854 721058631 /nfs/dbraw/zinc/05/86/31/721058631.db2.gz APAGUGFJMNNBPW-JKSUJKDBSA-N 2 0 400.914 1.650 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896638 721426304 /nfs/dbraw/zinc/42/63/04/721426304.db2.gz RQCGJOXIBUFNDK-OFNKIYASSA-N 2 0 415.582 1.684 20 0 HDADRP CS(=O)(=O)c1nc2c(c(N3CCCC[C@H]3CC[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC001165048273 721964909 /nfs/dbraw/zinc/96/49/09/721964909.db2.gz YBTLXZCYXLFHNN-INIZCTEOSA-N 2 0 407.584 1.413 20 0 HDADRP C[NH+](C)Cc1ccnc(N(C[C@@H]2CCC[C@@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1 ZINC001164952398 721991262 /nfs/dbraw/zinc/99/12/62/721991262.db2.gz PIUYLWQPYFFZKI-PXNSSMCTSA-N 2 0 408.568 1.743 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164978369 722102050 /nfs/dbraw/zinc/10/20/50/722102050.db2.gz GTATXHBIQMTXIR-RTWAWAEBSA-N 2 0 423.565 1.351 20 0 HDADRP Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CC[NH2+]C2 ZINC001164984763 722104679 /nfs/dbraw/zinc/10/46/79/722104679.db2.gz UWYFRSXLZVDEJG-LPHOPBHVSA-N 2 0 414.941 1.898 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1cccc(N3CCOCC3)[nH+]1)CCC2 ZINC001165002536 722255133 /nfs/dbraw/zinc/25/51/33/722255133.db2.gz PFIWAUJWRJRZJD-UHFFFAOYSA-N 2 0 400.527 1.603 20 0 HDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429049280 1073469188 /nfs/dbraw/zinc/46/91/88/1073469188.db2.gz UMUKNXZUYGINAD-FGZHOGPDSA-N 2 0 416.566 1.641 20 0 HDADRP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670487 1073623869 /nfs/dbraw/zinc/62/38/69/1073623869.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 2 0 400.567 1.250 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000673871218 1073836639 /nfs/dbraw/zinc/83/66/39/1073836639.db2.gz ZMESWGQMDIFIOO-UHFFFAOYSA-N 2 0 413.570 1.774 20 0 HDADRP CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030512766 1073935239 /nfs/dbraw/zinc/93/52/39/1073935239.db2.gz PEADAWDGMIPWKQ-SFHVURJKSA-N 2 0 409.534 1.943 20 0 HDADRP Cc1c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674132534 1074188357 /nfs/dbraw/zinc/18/83/57/1074188357.db2.gz WQKJDCMCOSQSKG-GOSISDBHSA-N 2 0 424.549 1.358 20 0 HDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674182567 1074216070 /nfs/dbraw/zinc/21/60/70/1074216070.db2.gz PXHKGLGVENOPNK-VXKWHMMOSA-N 2 0 416.566 1.384 20 0 HDADRP COC1CC[NH+](CCNC(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)CC1 ZINC000674310319 1074268999 /nfs/dbraw/zinc/26/89/99/1074268999.db2.gz DQFIZRLYRLWUEM-UHFFFAOYSA-N 2 0 412.538 1.404 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000674327074 1074276427 /nfs/dbraw/zinc/27/64/27/1074276427.db2.gz KYGZGVOQIVWEHJ-UHFFFAOYSA-N 3 0 404.559 1.004 20 0 HDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674329333 1074278604 /nfs/dbraw/zinc/27/86/04/1074278604.db2.gz UZUDXLAGWVEZOR-UHFFFAOYSA-N 2 0 417.598 1.734 20 0 HDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484099 1074570190 /nfs/dbraw/zinc/57/01/90/1074570190.db2.gz VTQVHPOTWZUUPS-NRFANRHFSA-N 2 0 416.566 1.240 20 0 HDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000675103081 1074719854 /nfs/dbraw/zinc/71/98/54/1074719854.db2.gz IFGIBCKYMQAVKQ-CEMLEFRQSA-N 2 0 415.582 1.355 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000477103209 1074801135 /nfs/dbraw/zinc/80/11/35/1074801135.db2.gz UYDWTBRPZBTUDH-UYAOXDASSA-N 2 0 404.555 1.240 20 0 HDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676100413 1075355277 /nfs/dbraw/zinc/35/52/77/1075355277.db2.gz PRNDQOIITJPFBH-UHFFFAOYSA-N 2 0 413.526 1.082 20 0 HDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676096175 1075360734 /nfs/dbraw/zinc/36/07/34/1075360734.db2.gz INYMOMVKKRCGDS-QGZVFWFLSA-N 2 0 412.538 1.725 20 0 HDADRP Cc1c(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474382 1075361028 /nfs/dbraw/zinc/36/10/28/1075361028.db2.gz PJGWMWAFEQXDRI-ZWKOTPCHSA-N 2 0 410.522 1.157 20 0 HDADRP Cn1nc(Br)cc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000785482566 1075375083 /nfs/dbraw/zinc/37/50/83/1075375083.db2.gz OZVSQNWJYSXMBE-UHFFFAOYSA-N 2 0 400.365 1.899 20 0 HDADRP O=C(N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676186140 1075425250 /nfs/dbraw/zinc/42/52/50/1075425250.db2.gz GJSKWTUSDJOAGX-FYYLOGMGSA-N 2 0 401.551 1.727 20 0 HDADRP O=C(N1CC[C@H](OCC[NH+]2CCCCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676186142 1075425392 /nfs/dbraw/zinc/42/53/92/1075425392.db2.gz GJSKWTUSDJOAGX-GMAHTHKFSA-N 2 0 401.551 1.727 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000509392471 1075460616 /nfs/dbraw/zinc/46/06/16/1075460616.db2.gz JHJNDQAKMZIKSR-HXUWFJFHSA-N 2 0 403.571 1.355 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000509434740 1075678558 /nfs/dbraw/zinc/67/85/58/1075678558.db2.gz ZBKYBHXTORCWMR-HXUWFJFHSA-N 2 0 403.571 1.793 20 0 HDADRP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000732229683 1075684401 /nfs/dbraw/zinc/68/44/01/1075684401.db2.gz YEVVOGUJUZJBLQ-JKSUJKDBSA-N 2 0 418.991 1.531 20 0 HDADRP C[NH+](C)CCOc1cc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccn1 ZINC000491363703 1075725543 /nfs/dbraw/zinc/72/55/43/1075725543.db2.gz XFMJATOHFUBAFY-UHFFFAOYSA-N 2 0 401.515 1.807 20 0 HDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000467676049 1075787957 /nfs/dbraw/zinc/78/79/57/1075787957.db2.gz MNCSDEJGWZEDDM-RTWAWAEBSA-N 2 0 413.566 1.458 20 0 HDADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306804 1075799566 /nfs/dbraw/zinc/79/95/66/1075799566.db2.gz CAORARGBMSYGDE-HOTGVXAUSA-N 2 0 401.477 1.988 20 0 HDADRP C[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCN1C1CC[NH+](C)CC1 ZINC000491271042 1075806598 /nfs/dbraw/zinc/80/65/98/1075806598.db2.gz LKQBFALJRDGSKY-KRWDZBQOSA-N 2 0 403.575 1.782 20 0 HDADRP C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766181667 1075808539 /nfs/dbraw/zinc/80/85/39/1075808539.db2.gz DEVNWEJJBNWGGQ-HNAYVOBHSA-N 2 0 409.556 1.034 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128541 1075979195 /nfs/dbraw/zinc/97/91/95/1075979195.db2.gz VMACKEXAJPQBGW-MOPGFXCFSA-N 2 0 413.566 1.710 20 0 HDADRP CC[NH+]1CCC[C@@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000493266791 1075990856 /nfs/dbraw/zinc/99/08/56/1075990856.db2.gz ZRUYNWCHVMNCCG-RTBURBONSA-N 2 0 417.598 1.691 20 0 HDADRP COc1cc(NS(C)(=O)=O)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527381679 1076200253 /nfs/dbraw/zinc/20/02/53/1076200253.db2.gz CRKBBBXYOIIMMD-UHFFFAOYSA-N 2 0 401.533 1.024 20 0 HDADRP C[N@H+](CCCO)C1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000536209202 1076256307 /nfs/dbraw/zinc/25/63/07/1076256307.db2.gz RLILFKFHJIEMSZ-UHFFFAOYSA-N 2 0 402.583 1.894 20 0 HDADRP CCOC(=O)C1CC[NH+](C2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)CC1 ZINC001164617076 719027500 /nfs/dbraw/zinc/02/75/00/719027500.db2.gz KDHRHYWVOVGFQB-UHFFFAOYSA-N 2 0 402.543 1.130 20 0 HDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744172 720809827 /nfs/dbraw/zinc/80/98/27/720809827.db2.gz HQVFTXPKTWXMRZ-LVCYWYKZSA-N 2 0 408.554 1.136 20 0 HDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743610 720840877 /nfs/dbraw/zinc/84/08/77/720840877.db2.gz JPZIRZIMSNKOEH-BAGYTPMASA-N 2 0 422.581 1.462 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]2C1 ZINC001164860159 720869732 /nfs/dbraw/zinc/86/97/32/720869732.db2.gz VQRKLQMJAFQMMA-VQTJNVASSA-N 2 0 404.555 1.730 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]2C1 ZINC001164853354 720886779 /nfs/dbraw/zinc/88/67/79/720886779.db2.gz CAXGAOAQBBGTDE-GHTZIAJQSA-N 3 0 404.555 1.728 20 0 HDADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164870255 721126043 /nfs/dbraw/zinc/12/60/43/721126043.db2.gz CBAGYZKATDCCDO-RTWAWAEBSA-N 2 0 408.550 1.884 20 0 HDADRP Cc1ccc(N2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@H]32)nn1 ZINC001164777250 721313737 /nfs/dbraw/zinc/31/37/37/721313737.db2.gz SFELHUIQAAPCNQ-UXHICEINSA-N 2 0 410.522 1.747 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164800348 721570046 /nfs/dbraw/zinc/57/00/46/721570046.db2.gz FCUZZHMQENITQL-MQSCRBSSSA-N 2 0 408.550 1.754 20 0 HDADRP Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164986004 722100001 /nfs/dbraw/zinc/10/00/01/722100001.db2.gz XQWRGKLQOHOBMZ-VQIMIIECSA-N 2 0 414.941 1.898 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164977261 722105746 /nfs/dbraw/zinc/10/57/46/722105746.db2.gz FLUQSCKJUNPYKE-VQTJNVASSA-N 2 0 409.538 1.009 20 0 HDADRP CN1CCN(c2ncnc3c2CCN(c2cccc(N4CCC([NH3+])CC4)[nH+]2)CC3)CC1 ZINC001165001585 722236733 /nfs/dbraw/zinc/23/67/33/722236733.db2.gz JLXBRVLGIVRBLT-UHFFFAOYSA-N 2 0 422.581 1.156 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1nccc(N3CCC([NH3+])CC3)n1)CCC2 ZINC001165002240 722254915 /nfs/dbraw/zinc/25/49/15/722254915.db2.gz LWTXPQFYCQAYRN-UHFFFAOYSA-N 2 0 414.558 1.089 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000673661577 1073615582 /nfs/dbraw/zinc/61/55/82/1073615582.db2.gz INFFSGPLSRTXRW-YADHBBJMSA-N 2 0 400.567 1.565 20 0 HDADRP CS(=O)(=O)Cc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000500035521 1073665971 /nfs/dbraw/zinc/66/59/71/1073665971.db2.gz GDEOSOWGDLFUHA-UHFFFAOYSA-N 2 0 416.547 1.568 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000505732214 1074030077 /nfs/dbraw/zinc/03/00/77/1074030077.db2.gz VBDMOJIKHHAQDO-GOSISDBHSA-N 2 0 410.584 1.425 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000674328962 1074277944 /nfs/dbraw/zinc/27/79/44/1074277944.db2.gz VPVVHVLYWRXHQQ-UHFFFAOYSA-N 2 0 404.555 1.553 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000509346050 1075181906 /nfs/dbraw/zinc/18/19/06/1075181906.db2.gz UYWJYKJEZZKSHN-WOJBJXKFSA-N 2 0 409.619 1.940 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581680 1075212553 /nfs/dbraw/zinc/21/25/53/1075212553.db2.gz HHXROGWMOKOLAA-VQTJNVASSA-N 2 0 407.603 1.835 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000676096877 1075358295 /nfs/dbraw/zinc/35/82/95/1075358295.db2.gz GAUIZPZILGCLEM-QGZVFWFLSA-N 2 0 406.918 1.456 20 0 HDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000676096447 1075359160 /nfs/dbraw/zinc/35/91/60/1075359160.db2.gz LMSOHIHRGAMUJO-LPHOPBHVSA-N 2 0 414.510 1.459 20 0 HDADRP Cc1c(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474380 1075361240 /nfs/dbraw/zinc/36/12/40/1075361240.db2.gz PJGWMWAFEQXDRI-QZTJIDSGSA-N 2 0 410.522 1.157 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000676097885 1075361257 /nfs/dbraw/zinc/36/12/57/1075361257.db2.gz XJKPDOOCXVZPRL-YJBOKZPZSA-N 2 0 418.567 1.644 20 0 HDADRP Cc1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676344396 1075518594 /nfs/dbraw/zinc/51/85/94/1075518594.db2.gz CCJNZHIZEAZYTQ-IBGZPJMESA-N 2 0 424.549 1.547 20 0 HDADRP CNC(=O)c1cncc(/C=C/C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000732066597 1075600674 /nfs/dbraw/zinc/60/06/74/1075600674.db2.gz SNBMUAIOBPTKKO-ONEGZZNKSA-N 2 0 408.506 1.178 20 0 HDADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000511719901 1075734219 /nfs/dbraw/zinc/73/42/19/1075734219.db2.gz BNNFVDOWVLGMEK-YLJYHZDGSA-N 2 0 424.549 1.868 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000509264539 1075760831 /nfs/dbraw/zinc/76/08/31/1075760831.db2.gz QTNVHISFYXDTKA-UHFFFAOYSA-N 2 0 401.555 1.240 20 0 HDADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000511822855 1075999034 /nfs/dbraw/zinc/99/90/34/1075999034.db2.gz IVGLAGIZBNJMKJ-MQSCRBSSSA-N 2 0 404.599 1.206 20 0 HDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000495344351 1076006662 /nfs/dbraw/zinc/00/66/62/1076006662.db2.gz WQECOBHVUDJMBW-IBGZPJMESA-N 2 0 407.534 1.670 20 0 HDADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819447 720172553 /nfs/dbraw/zinc/17/25/53/720172553.db2.gz XCHBQPZBQYAYGY-XMSQKQJNSA-N 2 0 401.555 1.792 20 0 HDADRP Cn1nnc2c1CCN(c1[nH+][nH]c(Cl)c3ncnc1-3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715468 720187995 /nfs/dbraw/zinc/18/79/95/720187995.db2.gz CQJPBTDIHDEMPE-CYBMUJFWSA-N 2 0 417.905 1.351 20 0 HDADRP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748704 720804175 /nfs/dbraw/zinc/80/41/75/720804175.db2.gz RBICSKRDDCPXTR-QUCCMNQESA-N 2 0 410.522 1.592 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867652 721109901 /nfs/dbraw/zinc/10/99/01/721109901.db2.gz ZGCMEKHRJZFRGY-RTWAWAEBSA-N 2 0 408.550 1.708 20 0 HDADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164870257 721124932 /nfs/dbraw/zinc/12/49/32/721124932.db2.gz CBAGYZKATDCCDO-SFTDATJTSA-N 2 0 408.550 1.884 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894413 721426848 /nfs/dbraw/zinc/42/68/48/721426848.db2.gz MKFQOSTUDJOQLS-GGAORHGYSA-N 2 0 414.598 1.257 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164806631 721536912 /nfs/dbraw/zinc/53/69/12/721536912.db2.gz PJPCWZWIAOUFLZ-NNMXDRDESA-N 2 0 409.538 1.149 20 0 HDADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164953310 722010968 /nfs/dbraw/zinc/01/09/68/722010968.db2.gz DXLSNXKZLPDJSM-VGOFRKELSA-N 2 0 417.554 1.954 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)nn2)CC1 ZINC001164959490 722051043 /nfs/dbraw/zinc/05/10/43/722051043.db2.gz LFEALLFUXFABJH-JBYIUTFZSA-N 2 0 409.538 1.529 20 0 HDADRP c1cc(C[N@@H+]2CCOCC3(CCN(c4ncnc5c4CC[NH2+]CC5)CC3)C2)ccn1 ZINC001164961936 722051707 /nfs/dbraw/zinc/05/17/07/722051707.db2.gz ZFKJVOSLWJQYTM-UHFFFAOYSA-N 2 0 408.550 1.679 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)c1 ZINC000673661575 1073615503 /nfs/dbraw/zinc/61/55/03/1073615503.db2.gz INFFSGPLSRTXRW-VXKWHMMOSA-N 2 0 400.567 1.565 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCCN3CCC[N@@H+](C)CC3)CC2)c1 ZINC000673670683 1073626858 /nfs/dbraw/zinc/62/68/58/1073626858.db2.gz MPQYKABLIZGIBQ-UHFFFAOYSA-N 2 0 401.599 1.651 20 0 HDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000673863581 1073830506 /nfs/dbraw/zinc/83/05/06/1073830506.db2.gz SFXSFBXJXOCIIY-UHFFFAOYSA-N 2 0 407.478 1.880 20 0 HDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673866436 1073843610 /nfs/dbraw/zinc/84/36/10/1073843610.db2.gz CIHNYEJLDSQDES-UHFFFAOYSA-N 2 0 413.570 1.904 20 0 HDADRP CC(C)(CO)[NH+]1CCN(CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000673896312 1073867302 /nfs/dbraw/zinc/86/73/02/1073867302.db2.gz UEFKUMHGWFXTNR-UHFFFAOYSA-N 2 0 424.589 1.873 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000505732215 1074030136 /nfs/dbraw/zinc/03/01/36/1074030136.db2.gz VBDMOJIKHHAQDO-SFHVURJKSA-N 2 0 410.584 1.425 20 0 HDADRP COc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(OC)CC2)[NH+](C)C)cc1OC ZINC000674325849 1074275444 /nfs/dbraw/zinc/27/54/44/1074275444.db2.gz KRXHFYXQLPTGJA-SFHVURJKSA-N 2 0 408.543 1.717 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000477056934 1074762514 /nfs/dbraw/zinc/76/25/14/1074762514.db2.gz MOZSKIXBKLGZEE-GOSISDBHSA-N 2 0 403.571 1.393 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477101281 1074798732 /nfs/dbraw/zinc/79/87/32/1074798732.db2.gz QDIKEFYTWKXXCL-GBESFXJTSA-N 2 0 410.603 1.571 20 0 HDADRP CN(C(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)n1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000675605855 1075222693 /nfs/dbraw/zinc/22/26/93/1075222693.db2.gz ZMLRTDUOLNRNLU-RTBURBONSA-N 2 0 411.550 1.699 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cn1 ZINC000676094960 1075355159 /nfs/dbraw/zinc/35/51/59/1075355159.db2.gz BRRAPPBMXJJZPX-UHFFFAOYSA-N 2 0 422.599 1.251 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000676095684 1075357415 /nfs/dbraw/zinc/35/74/15/1075357415.db2.gz TWKQBJHCLVBGID-VCSGRIEYSA-N 2 0 424.549 1.695 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000676097884 1075361093 /nfs/dbraw/zinc/36/10/93/1075361093.db2.gz XJKPDOOCXVZPRL-QAPCUYQASA-N 2 0 418.567 1.644 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cn1 ZINC000676129447 1075389984 /nfs/dbraw/zinc/38/99/84/1075389984.db2.gz KQBUJNHLBUEWBL-AZUAARDMSA-N 2 0 400.527 1.449 20 0 HDADRP C[C@@H](CNC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000731756536 1075511867 /nfs/dbraw/zinc/51/18/67/1075511867.db2.gz MUYALBCZPNBUHL-SFHVURJKSA-N 2 0 409.619 1.986 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307095 1075694640 /nfs/dbraw/zinc/69/46/40/1075694640.db2.gz CFRLSFQULZZTFA-AZUAARDMSA-N 2 0 416.566 1.923 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000509436955 1075707346 /nfs/dbraw/zinc/70/73/46/1075707346.db2.gz NGOLCHQTKYAUTG-UHFFFAOYSA-N 2 0 403.571 1.834 20 0 HDADRP CC[N@H+](CCNC(=O)C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000804223763 1075775436 /nfs/dbraw/zinc/77/54/36/1075775436.db2.gz HIIVVFZNBWYYKK-UHFFFAOYSA-N 2 0 401.555 1.438 20 0 HDADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427530429 1075805629 /nfs/dbraw/zinc/80/56/29/1075805629.db2.gz IPAZVCOLROQEFW-UHFFFAOYSA-N 2 0 418.586 1.963 20 0 HDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427588981 1075824271 /nfs/dbraw/zinc/82/42/71/1075824271.db2.gz VTRUYWSDRZLYTD-SFHVURJKSA-N 2 0 404.559 1.715 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000732871997 1075902189 /nfs/dbraw/zinc/90/21/89/1075902189.db2.gz QKAWUBZNXZIHRT-YADHBBJMSA-N 2 0 415.582 1.298 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128542 1075979158 /nfs/dbraw/zinc/97/91/58/1075979158.db2.gz VMACKEXAJPQBGW-OALUTQOASA-N 2 0 413.566 1.710 20 0 HDADRP Cc1cc(Cn2nnc(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)c2C)no1 ZINC000509548742 1075988110 /nfs/dbraw/zinc/98/81/10/1075988110.db2.gz JDJCBNOBFZEKFX-UHFFFAOYSA-N 2 0 424.509 1.268 20 0 HDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000512458129 1076002600 /nfs/dbraw/zinc/00/26/00/1076002600.db2.gz XZHKQDGPSOEYSB-CBJLPSGESA-N 2 0 416.610 1.349 20 0 HDADRP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000495367291 1076007029 /nfs/dbraw/zinc/00/70/29/1076007029.db2.gz BBNHJDPGJLCIHX-UTKZUKDTSA-N 2 0 403.571 1.920 20 0 HDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727084622 1076040716 /nfs/dbraw/zinc/04/07/16/1076040716.db2.gz LVPUHMFQYQVASR-UHFFFAOYSA-N 2 0 413.676 1.865 20 0 HDADRP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[NH+](C2CCC2)CC1 ZINC000733296276 1076041957 /nfs/dbraw/zinc/04/19/57/1076041957.db2.gz KJQSXBIOWGWTFW-HSZRJFAPSA-N 2 0 411.550 1.701 20 0 HDADRP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[NH+](C2CCC2)CC1 ZINC000733296280 1076042119 /nfs/dbraw/zinc/04/21/19/1076042119.db2.gz KJQSXBIOWGWTFW-QHCPKHFHSA-N 2 0 411.550 1.701 20 0 HDADRP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169732 1076068341 /nfs/dbraw/zinc/06/83/41/1076068341.db2.gz MSYQNULFDGMLJR-NZQKXSOJSA-N 2 0 411.550 1.701 20 0 HDADRP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169733 1076068458 /nfs/dbraw/zinc/06/84/58/1076068458.db2.gz MSYQNULFDGMLJR-OFNKIYASSA-N 2 0 411.550 1.701 20 0 HDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000733669504 1076149510 /nfs/dbraw/zinc/14/95/10/1076149510.db2.gz KCTKDIHEMZRZNE-SFHVURJKSA-N 2 0 401.555 1.758 20 0 HDADRP CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@@H]3CC[N@@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528421 1076236384 /nfs/dbraw/zinc/23/63/84/1076236384.db2.gz QXQXTTUTAYTSRO-MSOLQXFVSA-N 2 0 400.575 1.831 20 0 HDADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819439 720172934 /nfs/dbraw/zinc/17/29/34/720172934.db2.gz XCHBQPZBQYAYGY-AVRDEDQJSA-N 2 0 401.555 1.792 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cccc(N3CCOCC3)[nH+]2)CC1 ZINC001164823236 720330982 /nfs/dbraw/zinc/33/09/82/720330982.db2.gz ABAJKZPGNLEMKB-UXHICEINSA-N 2 0 413.566 1.830 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001164825445 720331246 /nfs/dbraw/zinc/33/12/46/720331246.db2.gz FEJKQLIXUAHDNY-LEWJYISDSA-N 2 0 412.582 1.403 20 0 HDADRP c1ncn(C[C@H]2C[C@@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744170 720809919 /nfs/dbraw/zinc/80/99/19/720809919.db2.gz HQVFTXPKTWXMRZ-DBXWQHBBSA-N 2 0 408.554 1.136 20 0 HDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4cccc(N5CCOCC5)[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164746637 720840554 /nfs/dbraw/zinc/84/05/54/720840554.db2.gz PUHXZKMGPQZBQG-PCCBWWKXSA-N 2 0 423.565 1.889 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867653 721110814 /nfs/dbraw/zinc/11/08/14/721110814.db2.gz ZGCMEKHRJZFRGY-SFTDATJTSA-N 2 0 408.550 1.708 20 0 HDADRP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164881153 721174170 /nfs/dbraw/zinc/17/41/70/721174170.db2.gz ZHFRQDOXYNOHPX-SFTDATJTSA-N 2 0 424.549 1.730 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896631 721426225 /nfs/dbraw/zinc/42/62/25/721426225.db2.gz RQCGJOXIBUFNDK-NFBKMPQASA-N 2 0 415.582 1.684 20 0 HDADRP Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890971 721453099 /nfs/dbraw/zinc/45/30/99/721453099.db2.gz TXJTYCRSCOIXEQ-DENIHFKCSA-N 2 0 400.571 1.237 20 0 HDADRP C[NH+]1CCN(c2nccc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)n2)CC1 ZINC001164803594 721597424 /nfs/dbraw/zinc/59/74/24/721597424.db2.gz XHBHTJOWVZHYSV-UHFFFAOYSA-N 2 0 407.497 1.908 20 0 HDADRP C[NH+](C)Cc1ccnc(N(C[C@@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1 ZINC001164952397 721991553 /nfs/dbraw/zinc/99/15/53/721991553.db2.gz PIUYLWQPYFFZKI-FXAWDEMLSA-N 2 0 408.568 1.743 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164971866 722122676 /nfs/dbraw/zinc/12/26/76/722122676.db2.gz CXVKHJRSZXHPOI-PMACEKPBSA-N 2 0 409.538 1.009 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000429103358 1073580965 /nfs/dbraw/zinc/58/09/65/1073580965.db2.gz MXCYJIJHHWKADQ-OAQYLSRUSA-N 3 0 400.571 1.910 20 0 HDADRP CN1CC[NH+](CC2CCN(C(=O)Nc3cc(C(N)=O)ccc3C[NH+](C)C)CC2)CC1 ZINC000673872273 1073837546 /nfs/dbraw/zinc/83/75/46/1073837546.db2.gz AZWKAJZUFIVWSN-UHFFFAOYSA-N 2 0 416.570 1.338 20 0 HDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000673872334 1073838026 /nfs/dbraw/zinc/83/80/26/1073838026.db2.gz DUVJQMPJTRIKIC-OAHLLOKOSA-N 2 0 403.527 1.470 20 0 HDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543521542 1073979889 /nfs/dbraw/zinc/97/98/89/1073979889.db2.gz AHCBCMUUNHCSRV-UHFFFAOYSA-N 2 0 402.583 1.703 20 0 HDADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187833 1073995650 /nfs/dbraw/zinc/99/56/50/1073995650.db2.gz YHBTWQLUMXLJJZ-OALUTQOASA-N 2 0 422.520 1.847 20 0 HDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000674686715 1074524135 /nfs/dbraw/zinc/52/41/35/1074524135.db2.gz BMLPKIXYYQVZDK-GOSISDBHSA-N 2 0 414.554 1.650 20 0 HDADRP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670481524 1074534665 /nfs/dbraw/zinc/53/46/65/1074534665.db2.gz MMXJHDTZWHTPPH-GOSISDBHSA-N 2 0 407.603 1.039 20 0 HDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000670484011 1074569474 /nfs/dbraw/zinc/56/94/74/1074569474.db2.gz VIWNEQGMHPQRAP-UHFFFAOYSA-N 2 0 407.518 1.511 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCn1c2ccccc2[nH]c1=O ZINC000429337005 1075104174 /nfs/dbraw/zinc/10/41/74/1075104174.db2.gz SDZAGBFZAYIFLE-QGZVFWFLSA-N 2 0 402.543 1.799 20 0 HDADRP C[C@H](CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1)[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000431614427 1075156772 /nfs/dbraw/zinc/15/67/72/1075156772.db2.gz ODSWNSWHQNVUJZ-SMIHKQSGSA-N 2 0 422.658 1.853 20 0 HDADRP CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000675605850 1075222646 /nfs/dbraw/zinc/22/26/46/1075222646.db2.gz ZMLRTDUOLNRNLU-KDURUIRLSA-N 2 0 411.550 1.699 20 0 HDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676097997 1075361619 /nfs/dbraw/zinc/36/16/19/1075361619.db2.gz WDLXDQYFGXTLSI-GOSISDBHSA-N 2 0 400.483 1.165 20 0 HDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)CC1 ZINC000676099590 1075365538 /nfs/dbraw/zinc/36/55/38/1075365538.db2.gz TUFYQWJUVNBYBM-UHFFFAOYSA-N 2 0 418.586 1.742 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000676090232 1075375639 /nfs/dbraw/zinc/37/56/39/1075375639.db2.gz OBOSQNHBRNMBOQ-UHFFFAOYSA-N 2 0 412.538 1.207 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000676092991 1075377041 /nfs/dbraw/zinc/37/70/41/1075377041.db2.gz AWAWBXNVOOMXPY-MRXNPFEDSA-N 2 0 418.567 1.473 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000676128846 1075388758 /nfs/dbraw/zinc/38/87/58/1075388758.db2.gz FPIOQARTKGUCPP-AZUAARDMSA-N 2 0 400.527 1.449 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000509402315 1075496594 /nfs/dbraw/zinc/49/65/94/1075496594.db2.gz WFTTTZGGCWUXCV-HXUWFJFHSA-N 2 0 401.555 1.457 20 0 HDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451986 1075557566 /nfs/dbraw/zinc/55/75/66/1075557566.db2.gz LMVAOPPRUBCOHN-VQTJNVASSA-N 2 0 424.549 1.787 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000466736162 1075594193 /nfs/dbraw/zinc/59/41/93/1075594193.db2.gz UDPHBHWWUWCQJN-KRWDZBQOSA-N 2 0 403.523 1.466 20 0 HDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676659497 1075640757 /nfs/dbraw/zinc/64/07/57/1075640757.db2.gz RFPSJUZNZDCVMD-INIZCTEOSA-N 2 0 419.489 1.943 20 0 HDADRP CN(CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[NH+](C2CC2)C1 ZINC000732188916 1075654446 /nfs/dbraw/zinc/65/44/46/1075654446.db2.gz OKPJMEKBNMIUAP-OFNKIYASSA-N 2 0 411.550 1.699 20 0 HDADRP COc1cccc([C@H](O)CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000732245250 1075679422 /nfs/dbraw/zinc/67/94/22/1075679422.db2.gz WOVZPWOKLQZFBD-OAQYLSRUSA-N 2 0 413.522 1.635 20 0 HDADRP C[NH+](C)CCOc1cccc(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000555874918 1075726365 /nfs/dbraw/zinc/72/63/65/1075726365.db2.gz HROKKDPAQWAJGA-UHFFFAOYSA-N 2 0 414.510 1.667 20 0 HDADRP COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000611181142 1075868202 /nfs/dbraw/zinc/86/82/02/1075868202.db2.gz OMDLUIUPXFNGDR-OAQYLSRUSA-N 2 0 419.566 1.703 20 0 HDADRP Cc1cn(C)c(CC(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495127391 1076005642 /nfs/dbraw/zinc/00/56/42/1076005642.db2.gz JCAVXVRMMLHNHH-IAGOWNOFSA-N 2 0 413.566 1.195 20 0 HDADRP O=C1N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000727169734 1076068439 /nfs/dbraw/zinc/06/84/39/1076068439.db2.gz MSYQNULFDGMLJR-REWPJTCUSA-N 2 0 411.550 1.701 20 0 HDADRP C[NH+]1CC[C@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@H]54)n3)[C@H]2C1 ZINC000498095082 1076353421 /nfs/dbraw/zinc/35/34/21/1076353421.db2.gz OPMVSHWQNYXVCS-ALFLXDJESA-N 2 0 411.550 1.414 20 0 HDADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164690053 719751604 /nfs/dbraw/zinc/75/16/04/719751604.db2.gz RIFJGYVMOZGHQG-UHFFFAOYSA-N 2 0 402.543 1.036 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+][nH]c(Cl)c3ncnc2-3)CC1 ZINC001164823331 720326271 /nfs/dbraw/zinc/32/62/71/720326271.db2.gz AOWYVOAGAPRLIA-UONOGXRCSA-N 2 0 403.918 1.918 20 0 HDADRP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748703 720804170 /nfs/dbraw/zinc/80/41/70/720804170.db2.gz RBICSKRDDCPXTR-ICSRJNTNSA-N 2 0 410.522 1.592 20 0 HDADRP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748705 720804430 /nfs/dbraw/zinc/80/44/30/720804430.db2.gz RBICSKRDDCPXTR-UYAOXDASSA-N 2 0 410.522 1.592 20 0 HDADRP C[NH+]1CCN(c2cccc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)n2)CC1 ZINC001164765808 721041041 /nfs/dbraw/zinc/04/10/41/721041041.db2.gz PLNRIHTXXAVKBT-UHFFFAOYSA-N 2 0 418.549 1.909 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164867056 721052159 /nfs/dbraw/zinc/05/21/59/721052159.db2.gz HDVBQNQHCSURJD-UXHICEINSA-N 2 0 409.538 1.103 20 0 HDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164865343 721109986 /nfs/dbraw/zinc/10/99/86/721109986.db2.gz KFGJXYFALPEHEK-UXHICEINSA-N 2 0 422.533 1.002 20 0 HDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1 ZINC001164872142 721284315 /nfs/dbraw/zinc/28/43/15/721284315.db2.gz AYDAFQRBCLGAMB-UHFFFAOYSA-N 2 0 415.582 1.684 20 0 HDADRP Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890984 721453635 /nfs/dbraw/zinc/45/36/35/721453635.db2.gz TXJTYCRSCOIXEQ-SIKLNZKXSA-N 2 0 400.571 1.237 20 0 HDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164788602 721454877 /nfs/dbraw/zinc/45/48/77/721454877.db2.gz RREITJBAJQPWJL-IBGZPJMESA-N 2 0 415.582 1.856 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164899661 721513877 /nfs/dbraw/zinc/51/38/77/721513877.db2.gz LMCPBFMXANOGRX-QUCCMNQESA-N 2 0 412.513 1.709 20 0 HDADRP c1cc(C[N@@H+]2CCOCC3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)CC3)C2)ccn1 ZINC001164961168 722053696 /nfs/dbraw/zinc/05/36/96/722053696.db2.gz TXZYESKULJDGHQ-UHFFFAOYSA-N 2 0 423.565 1.400 20 0 HDADRP CN1CC[N@H+](CCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](c2ccccc2)C1 ZINC000673867908 1073833018 /nfs/dbraw/zinc/83/30/18/1073833018.db2.gz UBESXYASZDOUKA-NRFANRHFSA-N 2 0 413.570 1.945 20 0 HDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000673872333 1073837975 /nfs/dbraw/zinc/83/79/75/1073837975.db2.gz DUVJQMPJTRIKIC-HNNXBMFYSA-N 2 0 403.527 1.470 20 0 HDADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000030512763 1073935280 /nfs/dbraw/zinc/93/52/80/1073935280.db2.gz PEADAWDGMIPWKQ-GOSISDBHSA-N 2 0 409.534 1.943 20 0 HDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000674182565 1074216208 /nfs/dbraw/zinc/21/62/08/1074216208.db2.gz PXHKGLGVENOPNK-FCHUYYIVSA-N 2 0 416.566 1.384 20 0 HDADRP CSc1ccncc1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000674270936 1074250684 /nfs/dbraw/zinc/25/06/84/1074250684.db2.gz SDODDMUJHMAYPK-UHFFFAOYSA-N 2 0 414.535 1.466 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000674328444 1074278466 /nfs/dbraw/zinc/27/84/66/1074278466.db2.gz KLLNFYQHXZFTBB-UHFFFAOYSA-N 2 0 417.598 1.604 20 0 HDADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)n1nnnc1C(C)(C)C ZINC000543615264 1074737647 /nfs/dbraw/zinc/73/76/47/1074737647.db2.gz VERYGNNHNNCEJK-MRXNPFEDSA-N 2 0 400.531 1.255 20 0 HDADRP CN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670502893 1074816455 /nfs/dbraw/zinc/81/64/55/1074816455.db2.gz RGGFUTMIJDRIBK-SFTDATJTSA-N 2 0 415.582 1.032 20 0 HDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000675738205 1075261700 /nfs/dbraw/zinc/26/17/00/1075261700.db2.gz NNCHHPUTGYSKFV-UHFFFAOYSA-N 2 0 408.612 1.911 20 0 HDADRP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000543651771 1075300220 /nfs/dbraw/zinc/30/02/20/1075300220.db2.gz LINVWNAKRDUXSK-UHFFFAOYSA-N 2 0 403.976 1.223 20 0 HDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000676093939 1075353219 /nfs/dbraw/zinc/35/32/19/1075353219.db2.gz CBZPLBNSWDHYFU-UHFFFAOYSA-N 2 0 422.489 1.853 20 0 HDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096114 1075358206 /nfs/dbraw/zinc/35/82/06/1075358206.db2.gz GGLORVAABDAERO-FQEVSTJZSA-N 2 0 404.474 1.987 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000676097883 1075361165 /nfs/dbraw/zinc/36/11/65/1075361165.db2.gz XJKPDOOCXVZPRL-MAUKXSAKSA-N 2 0 418.567 1.644 20 0 HDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098907 1075363137 /nfs/dbraw/zinc/36/31/37/1075363137.db2.gz HFOPOCJUVRVALO-PXNSSMCTSA-N 2 0 412.538 1.410 20 0 HDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676090277 1075374889 /nfs/dbraw/zinc/37/48/89/1075374889.db2.gz ORAXKBOHAKUBOL-UHFFFAOYSA-N 2 0 400.527 1.540 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000509392470 1075460810 /nfs/dbraw/zinc/46/08/10/1075460810.db2.gz JHJNDQAKMZIKSR-FQEVSTJZSA-N 2 0 403.571 1.355 20 0 HDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)CC2)CC1 ZINC000676357845 1075531424 /nfs/dbraw/zinc/53/14/24/1075531424.db2.gz HXJJVOJUJIOUCU-FQEVSTJZSA-N 2 0 420.646 1.355 20 0 HDADRP CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000731853469 1075534691 /nfs/dbraw/zinc/53/46/91/1075534691.db2.gz FMGFLZSEQAXOGU-QGZVFWFLSA-N 2 0 418.604 1.285 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000466730294 1075546850 /nfs/dbraw/zinc/54/68/50/1075546850.db2.gz ZZDOIPHDBRIRSF-UHFFFAOYSA-N 2 0 418.586 1.338 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000466732712 1075576176 /nfs/dbraw/zinc/57/61/76/1075576176.db2.gz JEIZBPDSSWTWQF-UHFFFAOYSA-N 2 0 417.598 1.943 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000676548860 1075596390 /nfs/dbraw/zinc/59/63/90/1075596390.db2.gz IXDCQUPPZPTGHO-LJQANCHMSA-N 2 0 412.538 1.727 20 0 HDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000543679875 1075608760 /nfs/dbraw/zinc/60/87/60/1075608760.db2.gz JVHJZKLMMGCMBL-LJQANCHMSA-N 3 0 402.587 1.965 20 0 HDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000429462315 1075675305 /nfs/dbraw/zinc/67/53/05/1075675305.db2.gz AUYAFAIKMNFMDF-LJQANCHMSA-N 2 0 415.582 1.406 20 0 HDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732246126 1075679803 /nfs/dbraw/zinc/67/98/03/1075679803.db2.gz NKWPDRZEVUYMBQ-FPOVZHCZSA-N 2 0 402.539 1.824 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)n2)CC1 ZINC000437091251 1075779655 /nfs/dbraw/zinc/77/96/55/1075779655.db2.gz CBRMPKRDEKXBRW-IBGZPJMESA-N 2 0 416.570 2.002 20 0 HDADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181256 1075867917 /nfs/dbraw/zinc/86/79/17/1075867917.db2.gz XJQCWHDWEKHLST-VQTJNVASSA-N 2 0 422.614 1.667 20 0 HDADRP CCOC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611181050 1075868645 /nfs/dbraw/zinc/86/86/45/1075868645.db2.gz WRZOTPGYQCIBCJ-IBGZPJMESA-N 2 0 422.614 1.667 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000732871995 1075901882 /nfs/dbraw/zinc/90/18/82/1075901882.db2.gz QKAWUBZNXZIHRT-FGZHOGPDSA-N 2 0 415.582 1.298 20 0 HDADRP C[NH+]1CC[C@@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000493468382 1075991538 /nfs/dbraw/zinc/99/15/38/1075991538.db2.gz WFORHTDPXAVEEW-USTZCAOPSA-N 2 0 400.523 1.612 20 0 HDADRP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495373713 1076008982 /nfs/dbraw/zinc/00/89/82/1076008982.db2.gz HNSZSEGOEPHUDP-RXVVDRJESA-N 2 0 415.582 1.891 20 0 HDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000727077212 1076039109 /nfs/dbraw/zinc/03/91/09/1076039109.db2.gz OWSQNJAQXSGDFE-UHFFFAOYSA-N 2 0 411.660 1.763 20 0 HDADRP c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)nn4)CC3)C2)c1 ZINC001164695714 719888266 /nfs/dbraw/zinc/88/82/66/719888266.db2.gz SCPCTDPKVRWTHN-UHFFFAOYSA-N 2 0 414.579 1.819 20 0 HDADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807955 720076006 /nfs/dbraw/zinc/07/60/06/720076006.db2.gz GPXUTTRLPBWPAM-UGKGYDQZSA-N 2 0 400.571 1.413 20 0 HDADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(N3CCC([NH3+])CC3)n1)C2 ZINC001164811777 720141655 /nfs/dbraw/zinc/14/16/55/720141655.db2.gz NGWQXACBCMJFLG-GCJKJVERSA-N 2 0 400.571 1.589 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2C[NH2+]CC3)CC1 ZINC001164819486 720289446 /nfs/dbraw/zinc/28/94/46/720289446.db2.gz QXOMBABMJKLEER-MSOLQXFVSA-N 2 0 418.973 1.687 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001164825448 720331180 /nfs/dbraw/zinc/33/11/80/720331180.db2.gz FEJKQLIXUAHDNY-SFTDATJTSA-N 2 0 412.582 1.403 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@@H]43)c2)CC1 ZINC001164847299 720822834 /nfs/dbraw/zinc/82/28/34/720822834.db2.gz ITRDNOMJLGDBGT-UFYCRDLUSA-N 2 0 416.522 1.845 20 0 HDADRP Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746032 720861794 /nfs/dbraw/zinc/86/17/94/720861794.db2.gz FJCBOTRIUUUONJ-DFQSSKMNSA-N 2 0 408.554 1.443 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164862880 720885252 /nfs/dbraw/zinc/88/52/52/720885252.db2.gz RRWXTGSOTMFDMF-OALUTQOASA-N 2 0 405.543 1.029 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164867057 721051559 /nfs/dbraw/zinc/05/15/59/721051559.db2.gz HDVBQNQHCSURJD-VQTJNVASSA-N 2 0 409.538 1.103 20 0 HDADRP Cc1ccc(N2CCO[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]32)nn1 ZINC001164777248 721313856 /nfs/dbraw/zinc/31/38/56/721313856.db2.gz SFELHUIQAAPCNQ-PMACEKPBSA-N 2 0 410.522 1.747 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894049 721382003 /nfs/dbraw/zinc/38/20/03/721382003.db2.gz WPAGAHCUNYSTTB-IERDGZPVSA-N 2 0 420.989 1.541 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891882 721390657 /nfs/dbraw/zinc/39/06/57/721390657.db2.gz RDGMGZPKJVDBAZ-HRAATJIYSA-N 2 0 420.989 1.541 20 0 HDADRP C[NH+]1CCN(c2cccc(N(C[C@@H]3OC[C@H]4CC[NH2+]C[C@@H]34)c3ncccn3)n2)CC1 ZINC001164790541 721484087 /nfs/dbraw/zinc/48/40/87/721484087.db2.gz FSMFVRSWXZLILR-QRVBRYPASA-N 2 0 409.538 1.386 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3C2)c1 ZINC001164976023 722133201 /nfs/dbraw/zinc/13/32/01/722133201.db2.gz GKTXNGYALYDKGI-IRLDBZIGSA-N 2 0 408.550 1.614 20 0 HDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713794 1073653651 /nfs/dbraw/zinc/65/36/51/1073653651.db2.gz GCPIZOIWFYKFEK-VXKWHMMOSA-N 2 0 402.583 1.666 20 0 HDADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673879259 1073851192 /nfs/dbraw/zinc/85/11/92/1073851192.db2.gz XMKJRIORLBZAOL-FQEVSTJZSA-N 2 0 407.603 1.489 20 0 HDADRP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000673930881 1073903575 /nfs/dbraw/zinc/90/35/75/1073903575.db2.gz MRVOKJFEAMKTOK-AVRDEDQJSA-N 2 0 400.523 1.971 20 0 HDADRP CC(=O)N1CCCc2cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc21 ZINC000673986530 1073998799 /nfs/dbraw/zinc/99/87/99/1073998799.db2.gz PTZCZAWEILCBPM-UHFFFAOYSA-N 2 0 424.611 1.880 20 0 HDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000674039443 1074112446 /nfs/dbraw/zinc/11/24/46/1074112446.db2.gz RDVWUHFDTOYWOJ-LJQANCHMSA-N 2 0 402.539 1.708 20 0 HDADRP CN(c1ccccc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000675345486 1074810231 /nfs/dbraw/zinc/81/02/31/1074810231.db2.gz VGOQUBKTBDGUCL-JOCHJYFZSA-N 2 0 415.626 1.713 20 0 HDADRP CCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446877496 1075187216 /nfs/dbraw/zinc/18/72/16/1075187216.db2.gz MJWMCZPHLIDCLX-FQEVSTJZSA-N 2 0 418.501 2.329 20 0 HDADRP CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675577136 1075209987 /nfs/dbraw/zinc/20/99/87/1075209987.db2.gz XDWVVQPGINOLOW-FGZHOGPDSA-N 2 0 415.582 1.309 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581678 1075212619 /nfs/dbraw/zinc/21/26/19/1075212619.db2.gz HHXROGWMOKOLAA-PMACEKPBSA-N 2 0 407.603 1.835 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000676094739 1075355507 /nfs/dbraw/zinc/35/55/07/1075355507.db2.gz OYZQJIXPQNVZMK-IBGZPJMESA-N 2 0 412.538 1.064 20 0 HDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097041 1075360485 /nfs/dbraw/zinc/36/04/85/1075360485.db2.gz LYRKBFHWKIWXIG-SFHVURJKSA-N 2 0 412.538 1.506 20 0 HDADRP CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000676097199 1075362657 /nfs/dbraw/zinc/36/26/57/1075362657.db2.gz KAGOLPCKVSQUNZ-FQEVSTJZSA-N 2 0 412.538 1.506 20 0 HDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676099862 1075364639 /nfs/dbraw/zinc/36/46/39/1075364639.db2.gz IHDGLVKENBTENB-SFHVURJKSA-N 2 0 418.586 1.886 20 0 HDADRP O=C1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CN1CCN1CCOCC1 ZINC000676419597 1075549848 /nfs/dbraw/zinc/54/98/48/1075549848.db2.gz VVQSQCRAACEMSH-OAQYLSRUSA-N 2 0 416.566 1.184 20 0 HDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456663 1075624530 /nfs/dbraw/zinc/62/45/30/1075624530.db2.gz RVQWSFNUVKPPDZ-ROUUACIJSA-N 2 0 415.582 1.737 20 0 HDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000429464251 1075678600 /nfs/dbraw/zinc/67/86/00/1075678600.db2.gz DPTVLQHXOXBPEP-MOPGFXCFSA-N 2 0 415.582 1.609 20 0 HDADRP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000732229682 1075684319 /nfs/dbraw/zinc/68/43/19/1075684319.db2.gz YEVVOGUJUZJBLQ-HZPDHXFCSA-N 2 0 418.991 1.531 20 0 HDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000564170375 1075720999 /nfs/dbraw/zinc/72/09/99/1075720999.db2.gz NUBKMYZFBXDQLG-UHFFFAOYSA-N 2 0 415.542 2.197 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000476154409 1075738040 /nfs/dbraw/zinc/73/80/40/1075738040.db2.gz NVMVZYYADWRZOJ-IBGZPJMESA-N 2 0 400.527 1.723 20 0 HDADRP CCOC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611181061 1075868594 /nfs/dbraw/zinc/86/85/94/1075868594.db2.gz WRZOTPGYQCIBCJ-LJQANCHMSA-N 2 0 422.614 1.667 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC000509069497 1075987106 /nfs/dbraw/zinc/98/71/06/1075987106.db2.gz NQQXDLHHLGRSIG-SFHVURJKSA-N 2 0 403.531 1.419 20 0 HDADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000511822853 1075998966 /nfs/dbraw/zinc/99/89/66/1075998966.db2.gz IVGLAGIZBNJMKJ-FUPPJEDESA-N 2 0 404.599 1.206 20 0 HDADRP Cn1ccnc1N1CC[NH+](CCCCC[NH+]2CCN(c3nccn3C)CC2)CC1 ZINC000534111332 1076246883 /nfs/dbraw/zinc/24/68/83/1076246883.db2.gz ZBEFCJCOHVJDSX-UHFFFAOYSA-N 2 0 400.575 1.268 20 0 HDADRP CC(C)[N@@H+]1CCCN(CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)CC1 ZINC000727824565 1076268124 /nfs/dbraw/zinc/26/81/24/1076268124.db2.gz XQRIIOXZUWCTMD-HSZRJFAPSA-N 2 0 413.566 1.947 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000728055584 1076322462 /nfs/dbraw/zinc/32/24/62/1076322462.db2.gz VVUZSNGZKZFRGZ-GOSISDBHSA-N 2 0 402.539 1.852 20 0 HDADRP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000498095084 1076353833 /nfs/dbraw/zinc/35/38/33/1076353833.db2.gz OPMVSHWQNYXVCS-HRQSHJORSA-N 2 0 411.550 1.414 20 0 HDADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)CC1 ZINC001164614050 719023566 /nfs/dbraw/zinc/02/35/66/719023566.db2.gz MDSJFGWFPWNDIT-UHFFFAOYSA-N 2 0 402.543 1.130 20 0 HDADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807953 720075434 /nfs/dbraw/zinc/07/54/34/720075434.db2.gz GPXUTTRLPBWPAM-SIKLNZKXSA-N 2 0 400.571 1.413 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001164833854 720329978 /nfs/dbraw/zinc/32/99/78/720329978.db2.gz XRANOZCJLFQHBK-SFTDATJTSA-N 2 0 412.582 1.855 20 0 HDADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839439 720518789 /nfs/dbraw/zinc/51/87/89/720518789.db2.gz ULGRAAGIQVJHDN-HSALFYBXSA-N 2 0 410.570 1.461 20 0 HDADRP c1nc2n(c1C[NH+]1CCCC1)CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)CC2 ZINC001164736999 720590713 /nfs/dbraw/zinc/59/07/13/720590713.db2.gz XWFCFNLDELMUTM-UHFFFAOYSA-N 2 0 411.554 1.710 20 0 HDADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739623 720663986 /nfs/dbraw/zinc/66/39/86/720663986.db2.gz OHGYRCVMOBFEPT-HZPDHXFCSA-N 2 0 415.929 1.729 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164855619 720890022 /nfs/dbraw/zinc/89/00/22/720890022.db2.gz HMQWPYVRHNARTC-CTNGQTDRSA-N 2 0 404.555 1.634 20 0 HDADRP CN(C)S(=O)(=O)N1CC[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]2C1 ZINC001164948841 721990128 /nfs/dbraw/zinc/99/01/28/721990128.db2.gz FJEWTRDZFDITLI-IRXDYDNUSA-N 2 0 423.583 1.119 20 0 HDADRP Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164984764 722104669 /nfs/dbraw/zinc/10/46/69/722104669.db2.gz UWYFRSXLZVDEJG-QFBILLFUSA-N 2 0 414.941 1.898 20 0 HDADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000673650063 1073543807 /nfs/dbraw/zinc/54/38/07/1073543807.db2.gz AERDYGVSKXFLGC-FQEVSTJZSA-N 2 0 401.555 1.307 20 0 HDADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000673650064 1073543872 /nfs/dbraw/zinc/54/38/72/1073543872.db2.gz AERDYGVSKXFLGC-HXUWFJFHSA-N 2 0 401.555 1.307 20 0 HDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000673896315 1073867248 /nfs/dbraw/zinc/86/72/48/1073867248.db2.gz UFPLCVRTORCWCC-UHFFFAOYSA-N 2 0 418.582 1.118 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000674040839 1074122682 /nfs/dbraw/zinc/12/26/82/1074122682.db2.gz XMDDMHVYNWKSDR-FQEVSTJZSA-N 2 0 408.568 1.509 20 0 HDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674182566 1074216145 /nfs/dbraw/zinc/21/61/45/1074216145.db2.gz PXHKGLGVENOPNK-FGZHOGPDSA-N 2 0 416.566 1.384 20 0 HDADRP C[C@@H](C(=O)Nc1cccc(C(=O)N2CCCN(C(=O)[C@H](C)[NH+](C)C)CC2)c1)[NH+](C)C ZINC000674287997 1074256609 /nfs/dbraw/zinc/25/66/09/1074256609.db2.gz KWXVLZLDUDZGDU-IRXDYDNUSA-N 2 0 417.554 1.200 20 0 HDADRP CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc2Cl)CC1 ZINC000140870529 1074385987 /nfs/dbraw/zinc/38/59/87/1074385987.db2.gz FFXKLUMJGXBANB-UHFFFAOYSA-N 2 0 409.962 1.878 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000674922705 1074623152 /nfs/dbraw/zinc/62/31/52/1074623152.db2.gz GZXGGGSSRVBWLA-VQTJNVASSA-N 2 0 403.527 1.183 20 0 HDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000675198641 1074755725 /nfs/dbraw/zinc/75/57/25/1074755725.db2.gz XGDWYLYENROZSS-FQEVSTJZSA-N 2 0 407.603 1.885 20 0 HDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000675500493 1075185615 /nfs/dbraw/zinc/18/56/15/1075185615.db2.gz VVCZSMYVCSYAFS-UHFFFAOYSA-N 2 0 423.561 1.947 20 0 HDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000675742718 1075267116 /nfs/dbraw/zinc/26/71/16/1075267116.db2.gz VTBLRPKQQNRPKH-GOSISDBHSA-N 2 0 424.611 1.384 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000675934632 1075296466 /nfs/dbraw/zinc/29/64/66/1075296466.db2.gz QVZYQFGIYZFPMA-PXNSSMCTSA-N 2 0 402.539 1.898 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676040879 1075337817 /nfs/dbraw/zinc/33/78/17/1075337817.db2.gz ZRKAJXFAWGLXGB-UXHICEINSA-N 2 0 407.603 1.978 20 0 HDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676094138 1075357113 /nfs/dbraw/zinc/35/71/13/1075357113.db2.gz QYWKNFWESXQHRK-UHFFFAOYSA-N 2 0 422.480 1.252 20 0 HDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000676096449 1075359210 /nfs/dbraw/zinc/35/92/10/1075359210.db2.gz LMSOHIHRGAMUJO-VQIMIIECSA-N 2 0 414.510 1.459 20 0 HDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097069 1075360444 /nfs/dbraw/zinc/36/04/44/1075360444.db2.gz TYGVFVNADSFAGP-MSOLQXFVSA-N 2 0 404.559 1.496 20 0 HDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098906 1075363067 /nfs/dbraw/zinc/36/30/67/1075363067.db2.gz HFOPOCJUVRVALO-FXAWDEMLSA-N 2 0 412.538 1.410 20 0 HDADRP CON(Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804084564 1075367112 /nfs/dbraw/zinc/36/71/12/1075367112.db2.gz YQWSKUJIYCLQDB-UHFFFAOYSA-N 2 0 411.506 1.300 20 0 HDADRP CCc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000676089240 1075373289 /nfs/dbraw/zinc/37/32/89/1075373289.db2.gz GUAHAMHFRBHHGG-LJQANCHMSA-N 2 0 400.527 1.365 20 0 HDADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451561 1075558315 /nfs/dbraw/zinc/55/83/15/1075558315.db2.gz FTBJNDBWOIORIM-MOPGFXCFSA-N 2 0 410.522 1.479 20 0 HDADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676500811 1075570326 /nfs/dbraw/zinc/57/03/26/1075570326.db2.gz DZEZTNAGSXIGCF-SFHLNBCPSA-N 2 0 405.587 1.051 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)n1 ZINC000676548859 1075596357 /nfs/dbraw/zinc/59/63/57/1075596357.db2.gz IXDCQUPPZPTGHO-IBGZPJMESA-N 2 0 412.538 1.727 20 0 HDADRP CN(CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@H]1CC[NH+](C2CC2)C1 ZINC000732188917 1075654547 /nfs/dbraw/zinc/65/45/47/1075654547.db2.gz OKPJMEKBNMIUAP-REWPJTCUSA-N 2 0 411.550 1.699 20 0 HDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC2)CC1 ZINC000611181094 1075867865 /nfs/dbraw/zinc/86/78/65/1075867865.db2.gz FZBRVYLNEXTTFY-UHFFFAOYSA-N 2 0 407.481 1.255 20 0 HDADRP CS[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)C[C@H]1[NH+](C)C ZINC000611217170 1075878172 /nfs/dbraw/zinc/87/81/72/1075878172.db2.gz VFJKOZZFLXJUGO-MOPGFXCFSA-N 2 0 414.579 1.681 20 0 HDADRP CS[C@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)C[C@@H]1[NH+](C)C ZINC000611217175 1075878334 /nfs/dbraw/zinc/87/83/34/1075878334.db2.gz VFJKOZZFLXJUGO-OALUTQOASA-N 2 0 414.579 1.681 20 0 HDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000495396498 1076013374 /nfs/dbraw/zinc/01/33/74/1076013374.db2.gz PNXGZLUDBRXWBX-FQEVSTJZSA-N 2 0 419.570 1.540 20 0 HDADRP C[NH+]1CCN(C[C@@H](NC(=S)NCCCN2CCOCC2)c2ccccc2)CC1 ZINC000727702922 1076210278 /nfs/dbraw/zinc/21/02/78/1076210278.db2.gz GESYWXVTPVWITQ-HXUWFJFHSA-N 2 0 405.612 1.162 20 0 HDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733856078 1076232403 /nfs/dbraw/zinc/23/24/03/1076232403.db2.gz QMULMIRVJSOOTN-UHFFFAOYSA-N 2 0 406.490 1.839 20 0 HDADRP O=C(c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000531948609 1076238095 /nfs/dbraw/zinc/23/80/95/1076238095.db2.gz FOKQKYIGLFSYCC-QZTJIDSGSA-N 2 0 400.523 1.900 20 0 HDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730918054 1076691418 /nfs/dbraw/zinc/69/14/18/1076691418.db2.gz CEVWAIDIUHAGLL-NRFANRHFSA-N 2 0 413.566 1.854 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2C[NH2+]CC3)CC1 ZINC001164819490 720289727 /nfs/dbraw/zinc/28/97/27/720289727.db2.gz QXOMBABMJKLEER-ROUUACIJSA-N 2 0 418.973 1.687 20 0 HDADRP CC(C)[N@H+]1[C@@H]2CCN(c3cncc(N4CC[NH2+]CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834980 720552378 /nfs/dbraw/zinc/55/23/78/720552378.db2.gz GGAPEHBIPKEAJO-HSALFYBXSA-N 2 0 410.570 1.461 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)C4CCC4)[C@H]4COC[C@H]43)c2)CC1 ZINC001164848203 720804641 /nfs/dbraw/zinc/80/46/41/720804641.db2.gz PECDNVRTSRPBIZ-HSALFYBXSA-N 2 0 400.523 1.675 20 0 HDADRP Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc1C1C[NH2+]C1 ZINC001164746036 720861648 /nfs/dbraw/zinc/86/16/48/720861648.db2.gz FJCBOTRIUUUONJ-YZGWKJHDSA-N 2 0 408.554 1.443 20 0 HDADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH+]cc21 ZINC001164854900 720871650 /nfs/dbraw/zinc/87/16/50/720871650.db2.gz GGBAHTHHCHWQIA-KXBFYZLASA-N 2 0 402.495 1.913 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164977262 722105840 /nfs/dbraw/zinc/10/58/40/722105840.db2.gz FLUQSCKJUNPYKE-WOJBJXKFSA-N 2 0 409.538 1.009 20 0 HDADRP CN1CC[N@H+](CCCNC(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](c2ccccc2)C1 ZINC000673867909 1073833818 /nfs/dbraw/zinc/83/38/18/1073833818.db2.gz UBESXYASZDOUKA-OAQYLSRUSA-N 2 0 413.570 1.945 20 0 HDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000673895240 1073865899 /nfs/dbraw/zinc/86/58/99/1073865899.db2.gz GXKZQNSTJGXGLM-UHFFFAOYSA-N 2 0 402.583 1.418 20 0 HDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593228 1074054081 /nfs/dbraw/zinc/05/40/81/1074054081.db2.gz NMRPRPNBBAFXDH-OZOXKJRCSA-N 2 0 413.566 1.666 20 0 HDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000674139844 1074194120 /nfs/dbraw/zinc/19/41/20/1074194120.db2.gz DBCXIGOCZVDADY-UHFFFAOYSA-N 2 0 417.598 1.469 20 0 HDADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000674320356 1074270960 /nfs/dbraw/zinc/27/09/60/1074270960.db2.gz FSGMSWBJBJQIDD-UHFFFAOYSA-N 2 0 402.539 1.838 20 0 HDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674630401 1074493753 /nfs/dbraw/zinc/49/37/53/1074493753.db2.gz BTEHYVITSGVPIX-GOSISDBHSA-N 2 0 409.600 1.228 20 0 HDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000524480249 1074784468 /nfs/dbraw/zinc/78/44/68/1074784468.db2.gz UGSHSEKTGAHKRO-IBGZPJMESA-N 2 0 404.474 1.987 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000477092939 1074791324 /nfs/dbraw/zinc/79/13/24/1074791324.db2.gz DDBTZSLMZBTSFX-DLBZAZTESA-N 2 0 421.561 1.601 20 0 HDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507219125 1074797573 /nfs/dbraw/zinc/79/75/73/1074797573.db2.gz WZBFZYIKWSPJBC-LJQANCHMSA-N 2 0 418.501 1.887 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477101284 1074799459 /nfs/dbraw/zinc/79/94/59/1074799459.db2.gz QDIKEFYTWKXXCL-QRVBRYPASA-N 2 0 410.603 1.571 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000477107552 1074806216 /nfs/dbraw/zinc/80/62/16/1074806216.db2.gz NJTRLIWFHYPLHD-GOSISDBHSA-N 2 0 410.603 1.763 20 0 HDADRP CCN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446877497 1075187079 /nfs/dbraw/zinc/18/70/79/1075187079.db2.gz MJWMCZPHLIDCLX-HXUWFJFHSA-N 2 0 418.501 2.329 20 0 HDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)c2ccccc2O1 ZINC000675512433 1075190357 /nfs/dbraw/zinc/19/03/57/1075190357.db2.gz OHAGUEUMQKAQGF-LJQANCHMSA-N 2 0 409.534 1.950 20 0 HDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000675569055 1075207823 /nfs/dbraw/zinc/20/78/23/1075207823.db2.gz PSRDUMMDQRCWBC-GOSISDBHSA-N 2 0 424.611 1.829 20 0 HDADRP C[C@@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000429372761 1075259490 /nfs/dbraw/zinc/25/94/90/1075259490.db2.gz OHPAPBJHEOHYGT-HXUWFJFHSA-N 2 0 406.615 1.944 20 0 HDADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000676022526 1075327043 /nfs/dbraw/zinc/32/70/43/1075327043.db2.gz HQSXMSHKFKBOJC-LJQANCHMSA-N 2 0 415.925 1.803 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000676092232 1075352410 /nfs/dbraw/zinc/35/24/10/1075352410.db2.gz CTXYGDLJQPQJAT-UHFFFAOYSA-N 2 0 412.538 1.412 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000676092113 1075352900 /nfs/dbraw/zinc/35/29/00/1075352900.db2.gz XRNHSWPJAKTIIB-UHFFFAOYSA-N 2 0 404.474 1.940 20 0 HDADRP CS[C@H]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000804083723 1075354391 /nfs/dbraw/zinc/35/43/91/1075354391.db2.gz FABGUMBTQBISND-WMZOPIPTSA-N 2 0 405.568 1.110 20 0 HDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094554 1075356070 /nfs/dbraw/zinc/35/60/70/1075356070.db2.gz JRFIPQFFKBSDIQ-IBGZPJMESA-N 2 0 418.501 1.887 20 0 HDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000676096446 1075359036 /nfs/dbraw/zinc/35/90/36/1075359036.db2.gz LMSOHIHRGAMUJO-APWZRJJASA-N 2 0 414.510 1.459 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000676097882 1075361189 /nfs/dbraw/zinc/36/11/89/1075361189.db2.gz XJKPDOOCXVZPRL-CRAIPNDOSA-N 2 0 418.567 1.644 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000676090533 1075374883 /nfs/dbraw/zinc/37/48/83/1075374883.db2.gz XZJPIGAGIGNZEU-INIZCTEOSA-N 2 0 404.540 1.398 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000676128856 1075388704 /nfs/dbraw/zinc/38/87/04/1075388704.db2.gz FPIOQARTKGUCPP-UYAOXDASSA-N 2 0 400.527 1.449 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000676129451 1075390227 /nfs/dbraw/zinc/39/02/27/1075390227.db2.gz KQBUJNHLBUEWBL-UYAOXDASSA-N 2 0 400.527 1.449 20 0 HDADRP CC(C)(CO)[NH+]1CCN(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000676702298 1075652167 /nfs/dbraw/zinc/65/21/67/1075652167.db2.gz UMJUDHBVYUHLBP-HXUWFJFHSA-N 2 0 423.001 1.982 20 0 HDADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCCN3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000543683235 1075676100 /nfs/dbraw/zinc/67/61/00/1075676100.db2.gz DRSNPTNPPNIAPX-UHFFFAOYSA-N 2 0 408.635 1.072 20 0 HDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507139465 1075722969 /nfs/dbraw/zinc/72/29/69/1075722969.db2.gz JPQPMOVSDNDMDW-UHFFFAOYSA-N 2 0 410.453 1.935 20 0 HDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427137835 1075723387 /nfs/dbraw/zinc/72/33/87/1075723387.db2.gz UFHDTDUWAQXOSR-UHFFFAOYSA-N 2 0 412.538 1.679 20 0 HDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000429477025 1075748015 /nfs/dbraw/zinc/74/80/15/1075748015.db2.gz QYMAKUZWDZXHSY-LJQANCHMSA-N 2 0 415.582 1.609 20 0 HDADRP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181255 1075867858 /nfs/dbraw/zinc/86/78/58/1075867858.db2.gz XJQCWHDWEKHLST-UXHICEINSA-N 2 0 422.614 1.667 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)CC1 ZINC000732871994 1075901833 /nfs/dbraw/zinc/90/18/33/1075901833.db2.gz QKAWUBZNXZIHRT-FCHUYYIVSA-N 2 0 415.582 1.298 20 0 HDADRP CC[NH+]1CCC(NC(=O)Cc2c(C(=O)NC3CC[NH+](CC)CC3)c(C)cn2C)CC1 ZINC000492870468 1075988975 /nfs/dbraw/zinc/98/89/75/1075988975.db2.gz GQHNFJUVNQSOLM-UHFFFAOYSA-N 2 0 417.598 1.691 20 0 HDADRP CC[NH+]1CCC[C@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000493266788 1075990834 /nfs/dbraw/zinc/99/08/34/1075990834.db2.gz ZRUYNWCHVMNCCG-MOPGFXCFSA-N 2 0 417.598 1.691 20 0 HDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385930 1076008972 /nfs/dbraw/zinc/00/89/72/1076008972.db2.gz QKZHWHYHKYFSGX-WMZOPIPTSA-N 2 0 407.559 1.951 20 0 HDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000727607399 1076178073 /nfs/dbraw/zinc/17/80/73/1076178073.db2.gz LDXXGMSVZMLGBT-UHFFFAOYSA-N 2 0 417.554 1.898 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950526 1076700419 /nfs/dbraw/zinc/70/04/19/1076700419.db2.gz PQRYMRGBKSANDU-UXHICEINSA-N 2 0 417.623 1.832 20 0 HDADRP Cn1nnc2c1CCN(c1cc(-n3ccnc3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715038 720201977 /nfs/dbraw/zinc/20/19/77/720201977.db2.gz IOPPTFWQODONEC-LJQANCHMSA-N 2 0 408.510 1.612 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001164833852 720330385 /nfs/dbraw/zinc/33/03/85/720330385.db2.gz XRANOZCJLFQHBK-RTWAWAEBSA-N 2 0 412.582 1.855 20 0 HDADRP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743359 720742686 /nfs/dbraw/zinc/74/26/86/720742686.db2.gz PSNMOTOTQVKTSO-MOPGFXCFSA-N 2 0 410.522 1.688 20 0 HDADRP C[C@H]1CCCN1C(=O)c1nn(-c2cccc(N3CC[NH+](C)CC3)n2)c2c1C[NH2+]CC2 ZINC001164844622 720805677 /nfs/dbraw/zinc/80/56/77/720805677.db2.gz CGAZRNKTQQSVDU-INIZCTEOSA-N 2 0 409.538 1.289 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164855630 720890397 /nfs/dbraw/zinc/89/03/97/720890397.db2.gz HMQWPYVRHNARTC-TZIWHRDSSA-N 2 0 404.555 1.634 20 0 HDADRP COCCN1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1=O ZINC001164920233 721844913 /nfs/dbraw/zinc/84/49/13/721844913.db2.gz HCGWNJGMOZISGP-PMACEKPBSA-N 2 0 418.538 1.255 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978054 722130859 /nfs/dbraw/zinc/13/08/59/722130859.db2.gz JKLVGYDNZKTHPH-FPOVZHCZSA-N 2 0 423.565 1.526 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)nc3c1C[NH2+]CC3)CCC2 ZINC001165002100 722250448 /nfs/dbraw/zinc/25/04/48/722250448.db2.gz WERBTEOMMCHWRJ-UHFFFAOYSA-N 2 0 405.934 1.461 20 0 HDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713796 1073653462 /nfs/dbraw/zinc/65/34/62/1073653462.db2.gz GCPIZOIWFYKFEK-YADHBBJMSA-N 2 0 402.583 1.666 20 0 HDADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NCCN3CCc4ccccc43)CC2)CC1 ZINC000543522291 1073991242 /nfs/dbraw/zinc/99/12/42/1073991242.db2.gz FYTMUDLHCJFLFS-UHFFFAOYSA-N 2 0 413.610 1.515 20 0 HDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000466593226 1074053954 /nfs/dbraw/zinc/05/39/54/1074053954.db2.gz NMRPRPNBBAFXDH-BSIFCXSSSA-N 2 0 413.566 1.666 20 0 HDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000674328720 1074278416 /nfs/dbraw/zinc/27/84/16/1074278416.db2.gz NIVWWSOPZZDULI-UHFFFAOYSA-N 2 0 417.598 1.734 20 0 HDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000674335456 1074283916 /nfs/dbraw/zinc/28/39/16/1074283916.db2.gz NLYIHTIHMURVRS-UHFFFAOYSA-N 2 0 410.584 1.774 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000477030891 1074729379 /nfs/dbraw/zinc/72/93/79/1074729379.db2.gz GGSNLEPYBQCQGB-IUDNXUCKSA-N 2 0 406.493 1.754 20 0 HDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(Cl)cc1Cl ZINC000670494361 1074748914 /nfs/dbraw/zinc/74/89/14/1074748914.db2.gz SFLBMYPKYOXASU-UHFFFAOYSA-N 2 0 403.354 1.604 20 0 HDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000675186221 1074751801 /nfs/dbraw/zinc/75/18/01/1074751801.db2.gz MHOATMAKNNVNAB-LJQANCHMSA-N 2 0 403.575 1.552 20 0 HDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000543644282 1075263335 /nfs/dbraw/zinc/26/33/35/1075263335.db2.gz IFNXMBRWLXKHMQ-WOJBJXKFSA-N 2 0 409.619 1.545 20 0 HDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676097939 1075361288 /nfs/dbraw/zinc/36/12/88/1075361288.db2.gz XVERZENRNVAQEN-FQEVSTJZSA-N 2 0 404.474 1.939 20 0 HDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000676097998 1075361655 /nfs/dbraw/zinc/36/16/55/1075361655.db2.gz WDLXDQYFGXTLSI-SFHVURJKSA-N 2 0 400.483 1.165 20 0 HDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)C2)CC1 ZINC000676548826 1075596371 /nfs/dbraw/zinc/59/63/71/1075596371.db2.gz ZVTDOHHILUUESR-GOSISDBHSA-N 2 0 404.559 1.354 20 0 HDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000676684107 1075647174 /nfs/dbraw/zinc/64/71/74/1075647174.db2.gz APUFBTYBMMDWTN-GOSISDBHSA-N 2 0 402.587 1.932 20 0 HDADRP CN(CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@@H]1CC[NH+](C2CC2)C1 ZINC000732188914 1075654576 /nfs/dbraw/zinc/65/45/76/1075654576.db2.gz OKPJMEKBNMIUAP-NFBKMPQASA-N 2 0 411.550 1.699 20 0 HDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccc(F)cc1 ZINC000427015840 1075749664 /nfs/dbraw/zinc/74/96/64/1075749664.db2.gz NLPFSKNLYGEKOF-GOSISDBHSA-N 2 0 416.501 1.647 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000509277956 1075817584 /nfs/dbraw/zinc/81/75/84/1075817584.db2.gz DDAIUNOBLPITSI-FQEVSTJZSA-N 2 0 409.619 1.939 20 0 HDADRP CC(C)[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](C(C)C)C3)n2)CC[NH+]1C ZINC000489366523 1075882809 /nfs/dbraw/zinc/88/28/09/1075882809.db2.gz KHRKLWHVNSFYGP-NHCUHLMSSA-N 2 0 415.582 1.906 20 0 HDADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495373714 1076008936 /nfs/dbraw/zinc/00/89/36/1076008936.db2.gz HNSZSEGOEPHUDP-WIYYLYMNSA-N 2 0 415.582 1.891 20 0 HDADRP Cn1ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1I ZINC000379117023 1076265687 /nfs/dbraw/zinc/26/56/87/1076265687.db2.gz MIIBEADQISJSSF-UHFFFAOYSA-N 2 0 421.327 1.370 20 0 HDADRP C[NH+]1CC[C@@H]2CCN(C(=O)c3cccc(C(=O)N4CC[C@@H]5CC[N@@H+](C)C[C@H]54)n3)[C@H]2C1 ZINC000498095083 1076353755 /nfs/dbraw/zinc/35/37/55/1076353755.db2.gz OPMVSHWQNYXVCS-BTYSMDAFSA-N 2 0 411.550 1.414 20 0 HDADRP C[NH+]1CCN(c2cccc(N(Cc3noc4c3C[NH2+]CC4)c3ncccn3)n2)CC1 ZINC001164641798 719266992 /nfs/dbraw/zinc/26/69/92/719266992.db2.gz WOUWIZARBAPBQG-UHFFFAOYSA-N 2 0 406.494 1.595 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2C[NH2+]CC3)CC1 ZINC001164819493 720289955 /nfs/dbraw/zinc/28/99/55/720289955.db2.gz QXOMBABMJKLEER-ZWKOTPCHSA-N 2 0 418.973 1.687 20 0 HDADRP c1ncn(C[C@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744174 720810243 /nfs/dbraw/zinc/81/02/43/720810243.db2.gz HQVFTXPKTWXMRZ-WAOWUJCRSA-N 2 0 408.554 1.136 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)CC1 ZINC001164867058 721051854 /nfs/dbraw/zinc/05/18/54/721051854.db2.gz HDVBQNQHCSURJD-WOJBJXKFSA-N 2 0 409.538 1.103 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164867651 721109644 /nfs/dbraw/zinc/10/96/44/721109644.db2.gz ZGCMEKHRJZFRGY-NHCUHLMSSA-N 2 0 408.550 1.708 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894050 721382062 /nfs/dbraw/zinc/38/20/62/721382062.db2.gz WPAGAHCUNYSTTB-IIBYNOLFSA-N 2 0 420.989 1.541 20 0 HDADRP CCOC(=O)c1c[nH]c2cc(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)[nH+]cc21 ZINC001164796831 721518138 /nfs/dbraw/zinc/51/81/38/721518138.db2.gz CZHKDDZZNPSRRW-UHFFFAOYSA-N 2 0 423.521 1.704 20 0 HDADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]2C1 ZINC001164948844 721990018 /nfs/dbraw/zinc/99/00/18/721990018.db2.gz FJEWTRDZFDITLI-SJORKVTESA-N 2 0 423.583 1.119 20 0 HDADRP Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164986001 722100291 /nfs/dbraw/zinc/10/02/91/722100291.db2.gz XQWRGKLQOHOBMZ-QFBILLFUSA-N 2 0 414.941 1.898 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978359 722102215 /nfs/dbraw/zinc/10/22/15/722102215.db2.gz GTATXHBIQMTXIR-LEWJYISDSA-N 2 0 423.565 1.351 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164980530 722128758 /nfs/dbraw/zinc/12/87/58/722128758.db2.gz RRCOPFNWPJSVFY-YADHBBJMSA-N 2 0 422.577 1.956 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864103 1073831606 /nfs/dbraw/zinc/83/16/06/1073831606.db2.gz GDIPGPQPDAURCT-UHFFFAOYSA-N 3 0 406.494 1.996 20 0 HDADRP CC[NH+]1CCN(c2ccc(CNC(=O)NCC[NH+]3CCC(OC)CC3)cn2)CC1 ZINC000674327809 1074277302 /nfs/dbraw/zinc/27/73/02/1074277302.db2.gz BHLFNIWGHPJFLC-UHFFFAOYSA-N 2 0 404.559 1.134 20 0 HDADRP Cc1cc(NC(=O)N2CCC(C(=O)NCC[NH+](C)C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000674318642 1074279836 /nfs/dbraw/zinc/27/98/36/1074279836.db2.gz DHOZGWJBVYOEQC-UHFFFAOYSA-N 2 0 419.574 1.380 20 0 HDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000674404445 1074315457 /nfs/dbraw/zinc/31/54/57/1074315457.db2.gz PGXRURSFFKGGEV-UXHICEINSA-N 2 0 408.587 1.510 20 0 HDADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1-c1cc(C)cc(C)c1 ZINC000526132125 1074687846 /nfs/dbraw/zinc/68/78/46/1074687846.db2.gz YKPGPQJJVJSORW-UHFFFAOYSA-N 2 0 414.554 1.688 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000675086240 1074701860 /nfs/dbraw/zinc/70/18/60/1074701860.db2.gz UTFBTGAGZYMLAG-RXVVDRJESA-N 2 0 420.598 1.467 20 0 HDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000536797484 1074718095 /nfs/dbraw/zinc/71/80/95/1074718095.db2.gz SEEDASDIPPNLQH-UHFFFAOYSA-N 2 0 405.462 1.634 20 0 HDADRP CCC[NH+]1CCC[C@@H]1C(=O)Nc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000477794725 1075123432 /nfs/dbraw/zinc/12/34/32/1075123432.db2.gz OWUQHLUUHJEKMK-ZWKOTPCHSA-N 2 0 404.559 1.724 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511685 1075191101 /nfs/dbraw/zinc/19/11/01/1075191101.db2.gz RIVYULWIYGOPLQ-QRVBRYPASA-N 2 0 414.550 1.675 20 0 HDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000675742407 1075266804 /nfs/dbraw/zinc/26/68/04/1075266804.db2.gz OLPSFAKUIVUITH-GOSISDBHSA-N 2 0 424.611 1.384 20 0 HDADRP c1cc2c(cn1)nc(NCC[N@@H+]1CCCOCC1)cc2NCC[NH+]1CCCOCC1 ZINC000561304746 1075322449 /nfs/dbraw/zinc/32/24/49/1075322449.db2.gz QVKFFKWQOALAGC-UHFFFAOYSA-N 2 0 414.554 1.898 20 0 HDADRP Cc1cccc(C)c1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804083894 1075346357 /nfs/dbraw/zinc/34/63/57/1075346357.db2.gz HUYJOAGJQWZMHZ-UHFFFAOYSA-N 2 0 409.534 1.643 20 0 HDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000676096538 1075359717 /nfs/dbraw/zinc/35/97/17/1075359717.db2.gz ZMALJXOVQBGKIB-INIZCTEOSA-N 2 0 400.527 1.629 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000676088745 1075370987 /nfs/dbraw/zinc/37/09/87/1075370987.db2.gz QUHXZCOGJXJZHL-UHFFFAOYSA-N 2 0 404.559 1.688 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000676091119 1075375590 /nfs/dbraw/zinc/37/55/90/1075375590.db2.gz AINHOGSFUPDFIT-UHFFFAOYSA-N 2 0 404.559 1.498 20 0 HDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)CC1 ZINC000731542841 1075384500 /nfs/dbraw/zinc/38/45/00/1075384500.db2.gz CXFSGGHCJQMOJC-UHFFFAOYSA-N 2 0 417.598 1.745 20 0 HDADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138967 1075406496 /nfs/dbraw/zinc/40/64/96/1075406496.db2.gz ICZUEIZZCSXGDK-LEWJYISDSA-N 2 0 417.598 1.195 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000509402312 1075496305 /nfs/dbraw/zinc/49/63/05/1075496305.db2.gz WFTTTZGGCWUXCV-FQEVSTJZSA-N 2 0 401.555 1.457 20 0 HDADRP CN(C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427238035 1075585980 /nfs/dbraw/zinc/58/59/80/1075585980.db2.gz HLCUALNKMQAGTK-HXUWFJFHSA-N 2 0 424.549 1.821 20 0 HDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448514743 1075722957 /nfs/dbraw/zinc/72/29/57/1075722957.db2.gz YJXIUPDWUCVYDV-UHFFFAOYSA-N 2 0 420.945 1.627 20 0 HDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1)C1CC1 ZINC000442064812 1075763576 /nfs/dbraw/zinc/76/35/76/1075763576.db2.gz QUFQVXAQAKQSGS-UHFFFAOYSA-N 2 0 404.474 2.481 20 0 HDADRP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306805 1075799446 /nfs/dbraw/zinc/79/94/46/1075799446.db2.gz CAORARGBMSYGDE-HZPDHXFCSA-N 2 0 401.477 1.988 20 0 HDADRP CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000611211204 1075874809 /nfs/dbraw/zinc/87/48/09/1075874809.db2.gz UDRWKOYTMMDVGQ-DENIHFKCSA-N 2 0 419.566 1.965 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2)CC1 ZINC000732871996 1075902095 /nfs/dbraw/zinc/90/20/95/1075902095.db2.gz QKAWUBZNXZIHRT-VXKWHMMOSA-N 2 0 415.582 1.298 20 0 HDADRP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000495367292 1076007009 /nfs/dbraw/zinc/00/70/09/1076007009.db2.gz BBNHJDPGJLCIHX-UWJYYQICSA-N 2 0 403.571 1.920 20 0 HDADRP O=C1N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C(=O)N1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000727169730 1076068482 /nfs/dbraw/zinc/06/84/82/1076068482.db2.gz MSYQNULFDGMLJR-NFBKMPQASA-N 2 0 411.550 1.701 20 0 HDADRP C[N@@H+](Cc1ccccc1)CC1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000727423292 1076126708 /nfs/dbraw/zinc/12/67/08/1076126708.db2.gz PPSJGPIRZFCTDM-UHFFFAOYSA-N 2 0 413.566 1.804 20 0 HDADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000730916545 1076690159 /nfs/dbraw/zinc/69/01/59/1076690159.db2.gz BHNAYFCYMWAONT-LJQANCHMSA-N 2 0 413.566 1.854 20 0 HDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc3c1CC[NH2+]C3)CCC2 ZINC001164810832 720214352 /nfs/dbraw/zinc/21/43/52/720214352.db2.gz DMWMOJFEDDKVAZ-UHFFFAOYSA-N 2 0 417.945 1.583 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164821086 720300824 /nfs/dbraw/zinc/30/08/24/720300824.db2.gz JKMLNKDYWVSKBK-MSOLQXFVSA-N 2 0 418.973 1.687 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164821094 720301267 /nfs/dbraw/zinc/30/12/67/720301267.db2.gz JKMLNKDYWVSKBK-ROUUACIJSA-N 2 0 418.973 1.687 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cccc(N3CCOCC3)[nH+]2)CC1 ZINC001164823235 720330768 /nfs/dbraw/zinc/33/07/68/720330768.db2.gz ABAJKZPGNLEMKB-PMACEKPBSA-N 2 0 413.566 1.830 20 0 HDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749291 720839869 /nfs/dbraw/zinc/83/98/69/720839869.db2.gz VPQYXQALGZDJBO-RZUBCFFCSA-N 2 0 422.581 1.915 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)CC1 ZINC001164867055 721051798 /nfs/dbraw/zinc/05/17/98/721051798.db2.gz HDVBQNQHCSURJD-PMACEKPBSA-N 2 0 409.538 1.103 20 0 HDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164788604 721454718 /nfs/dbraw/zinc/45/47/18/721454718.db2.gz RREITJBAJQPWJL-LJQANCHMSA-N 2 0 415.582 1.856 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)c2)CC1 ZINC001164884869 721459310 /nfs/dbraw/zinc/45/93/10/721459310.db2.gz BMJYKQWJSWZICX-AABGKKOBSA-N 2 0 400.523 1.817 20 0 HDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164788830 721474044 /nfs/dbraw/zinc/47/40/44/721474044.db2.gz LPMYRYJPNATDFA-HXUWFJFHSA-N 2 0 415.582 1.897 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)CC1 ZINC001164899664 721513373 /nfs/dbraw/zinc/51/33/73/721513373.db2.gz LMCPBFMXANOGRX-UYAOXDASSA-N 2 0 412.513 1.709 20 0 HDADRP COCCN1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]2C1=O ZINC001164920234 721844943 /nfs/dbraw/zinc/84/49/43/721844943.db2.gz HCGWNJGMOZISGP-UXHICEINSA-N 2 0 418.538 1.255 20 0 HDADRP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670483 1073623964 /nfs/dbraw/zinc/62/39/64/1073623964.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 2 0 400.567 1.250 20 0 HDADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000673802071 1073750963 /nfs/dbraw/zinc/75/09/63/1073750963.db2.gz IKCXEKRSUAUSEO-FQEVSTJZSA-N 2 0 416.566 1.384 20 0 HDADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CCN(Cc4ccco4)CC3)CC2)CC1 ZINC000543521356 1073985223 /nfs/dbraw/zinc/98/52/23/1073985223.db2.gz ZRIDJDIRMTXYFW-UHFFFAOYSA-N 2 0 417.598 1.273 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000674571666 1074449719 /nfs/dbraw/zinc/44/97/19/1074449719.db2.gz IASBBABODWHMKS-UHFFFAOYSA-N 2 0 400.527 1.723 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000674922706 1074623117 /nfs/dbraw/zinc/62/31/17/1074623117.db2.gz GZXGGGSSRVBWLA-WOJBJXKFSA-N 2 0 403.527 1.183 20 0 HDADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000670510574 1075094043 /nfs/dbraw/zinc/09/40/43/1075094043.db2.gz QAVHIMZDBSOICW-LAUBAEHRSA-N 2 0 416.566 1.795 20 0 HDADRP COc1ccc([C@@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[NH+]2CCCCC2)cc1 ZINC000670527673 1075151485 /nfs/dbraw/zinc/15/14/85/1075151485.db2.gz WBRROWLNDZZMAA-AZUAARDMSA-N 2 0 402.539 1.549 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000509346048 1075181987 /nfs/dbraw/zinc/18/19/87/1075181987.db2.gz UYWJYKJEZZKSHN-BGYRXZFFSA-N 2 0 409.619 1.940 20 0 HDADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000675568087 1075217772 /nfs/dbraw/zinc/21/77/72/1075217772.db2.gz JVKDDMKPFRKZSW-QGZVFWFLSA-N 2 0 424.611 1.685 20 0 HDADRP CN(C(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)n1)[C@H]1CC[NH+](C2CC2)C1 ZINC000675605853 1075222576 /nfs/dbraw/zinc/22/25/76/1075222576.db2.gz ZMLRTDUOLNRNLU-OALUTQOASA-N 2 0 411.550 1.699 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)Nc2ccccc2C[NH+]2CCSCC2)cn1 ZINC000675607444 1075223324 /nfs/dbraw/zinc/22/33/24/1075223324.db2.gz FEKXJFBKMOGYPZ-UHFFFAOYSA-N 2 0 416.551 1.571 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000509359868 1075250342 /nfs/dbraw/zinc/25/03/42/1075250342.db2.gz TWBUTHVNGHXTEW-LJQANCHMSA-N 2 0 407.534 1.624 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000804084039 1075351293 /nfs/dbraw/zinc/35/12/93/1075351293.db2.gz KKQSPBIXGMJDKK-IBGZPJMESA-N 2 0 422.533 1.121 20 0 HDADRP Cc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000676093445 1075354380 /nfs/dbraw/zinc/35/43/80/1075354380.db2.gz JNBYIGBFPNNIFW-FQEVSTJZSA-N 2 0 412.538 1.645 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000676091157 1075377019 /nfs/dbraw/zinc/37/70/19/1075377019.db2.gz BRNZRDNBYJCDAF-UHFFFAOYSA-N 2 0 405.462 1.382 20 0 HDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000676093005 1075377067 /nfs/dbraw/zinc/37/70/67/1075377067.db2.gz BESNAZRSGFIQBO-GOSISDBHSA-N 2 0 404.559 1.354 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000509407059 1075518366 /nfs/dbraw/zinc/51/83/66/1075518366.db2.gz IXDNAMXHFACIHM-UHFFFAOYSA-N 2 0 415.582 1.978 20 0 HDADRP O=C1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CN1CCN1CCOCC1 ZINC000676419595 1075549668 /nfs/dbraw/zinc/54/96/68/1075549668.db2.gz VVQSQCRAACEMSH-NRFANRHFSA-N 2 0 416.566 1.184 20 0 HDADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccnn2[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451562 1075558358 /nfs/dbraw/zinc/55/83/58/1075558358.db2.gz FTBJNDBWOIORIM-OALUTQOASA-N 2 0 410.522 1.479 20 0 HDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)CN3CC[NH+](C)CC3)c2C1 ZINC000429456661 1075624551 /nfs/dbraw/zinc/62/45/51/1075624551.db2.gz RVQWSFNUVKPPDZ-MSOLQXFVSA-N 2 0 415.582 1.737 20 0 HDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427017968 1075711137 /nfs/dbraw/zinc/71/11/37/1075711137.db2.gz WAXNJXWHOSOLSD-IAGOWNOFSA-N 2 0 418.586 1.961 20 0 HDADRP CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306803 1075799499 /nfs/dbraw/zinc/79/94/99/1075799499.db2.gz CAORARGBMSYGDE-CVEARBPZSA-N 2 0 401.477 1.988 20 0 HDADRP O=C1CC2(CN1)CC[NH+](Cc1cccc(C[NH+]3CCC4(CNC(=O)C4)CC3)c1)CC2 ZINC000489295652 1075878639 /nfs/dbraw/zinc/87/86/39/1075878639.db2.gz RBLLIZMUTHCZJW-UHFFFAOYSA-N 2 0 410.562 1.891 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC000509069493 1075986690 /nfs/dbraw/zinc/98/66/90/1075986690.db2.gz NQQXDLHHLGRSIG-GOSISDBHSA-N 2 0 403.531 1.419 20 0 HDADRP C[C@H]1NC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000733155308 1075989152 /nfs/dbraw/zinc/98/91/52/1075989152.db2.gz ASIJSESDOLNKET-QGZVFWFLSA-N 2 0 402.543 1.057 20 0 HDADRP CC[NH+]1CC[C@@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000494800174 1076003139 /nfs/dbraw/zinc/00/31/39/1076003139.db2.gz NBNZJFUHNOIQEO-MOPGFXCFSA-N 2 0 417.598 1.406 20 0 HDADRP O=C(c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000531948610 1076238101 /nfs/dbraw/zinc/23/81/01/1076238101.db2.gz FOKQKYIGLFSYCC-ROUUACIJSA-N 2 0 400.523 1.900 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001164690366 719758795 /nfs/dbraw/zinc/75/87/95/719758795.db2.gz AZZITTFOBFINNK-IIBYNOLFSA-N 2 0 413.501 1.422 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+][nH]c(Cl)c3ncnc2-3)CC1 ZINC001164823332 720326374 /nfs/dbraw/zinc/32/63/74/720326374.db2.gz AOWYVOAGAPRLIA-ZIAGYGMSSA-N 2 0 403.918 1.918 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001164825446 720331090 /nfs/dbraw/zinc/33/10/90/720331090.db2.gz FEJKQLIXUAHDNY-NHCUHLMSSA-N 2 0 412.582 1.403 20 0 HDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164839438 720519044 /nfs/dbraw/zinc/51/90/44/720519044.db2.gz ULGRAAGIQVJHDN-AABGKKOBSA-N 2 0 410.570 1.461 20 0 HDADRP C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@H+](C)CC3)c2c1C[NH2+]CC2 ZINC001164855020 720806058 /nfs/dbraw/zinc/80/60/58/720806058.db2.gz WDBIGIOALHWOBD-LBPRGKRZSA-N 2 0 415.929 1.574 20 0 HDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164743612 720841355 /nfs/dbraw/zinc/84/13/55/720841355.db2.gz JPZIRZIMSNKOEH-HJNYFJLDSA-N 2 0 422.581 1.462 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164854802 720846250 /nfs/dbraw/zinc/84/62/50/720846250.db2.gz SNMJATFDJDRUHZ-AEFFLSMTSA-N 2 0 409.962 1.771 20 0 HDADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)[nH+]cc21 ZINC001164854894 720871664 /nfs/dbraw/zinc/87/16/64/720871664.db2.gz GGBAHTHHCHWQIA-HNAYVOBHSA-N 2 0 402.495 1.913 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164867650 721110521 /nfs/dbraw/zinc/11/05/21/721110521.db2.gz ZGCMEKHRJZFRGY-LEWJYISDSA-N 2 0 408.550 1.708 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894415 721427066 /nfs/dbraw/zinc/42/70/66/721427066.db2.gz MKFQOSTUDJOQLS-JTHBVZDNSA-N 2 0 414.598 1.257 20 0 HDADRP Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890988 721453422 /nfs/dbraw/zinc/45/34/22/721453422.db2.gz TXJTYCRSCOIXEQ-UGKGYDQZSA-N 2 0 400.571 1.237 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164806629 721536381 /nfs/dbraw/zinc/53/63/81/721536381.db2.gz PJPCWZWIAOUFLZ-JQVVWYNYSA-N 2 0 409.538 1.149 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)c2)CC1 ZINC001164802866 721596712 /nfs/dbraw/zinc/59/67/12/721596712.db2.gz VZZFHYNKOVBTGL-UFYCRDLUSA-N 2 0 416.522 1.150 20 0 HDADRP CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164953309 722010985 /nfs/dbraw/zinc/01/09/85/722010985.db2.gz DXLSNXKZLPDJSM-JTSKRJEESA-N 2 0 417.554 1.954 20 0 HDADRP Cc1ccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164963461 722025431 /nfs/dbraw/zinc/02/54/31/722025431.db2.gz UMKOIYLYNXUSNV-PGRDOPGGSA-N 2 0 424.553 1.376 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)nn2)CC1 ZINC001164959488 722050893 /nfs/dbraw/zinc/05/08/93/722050893.db2.gz LFEALLFUXFABJH-HMFYCAOWSA-N 2 0 409.538 1.529 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164971869 722122047 /nfs/dbraw/zinc/12/20/47/722122047.db2.gz CXVKHJRSZXHPOI-WOJBJXKFSA-N 2 0 409.538 1.009 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@@H]3C2)c1 ZINC001164971867 722122334 /nfs/dbraw/zinc/12/23/34/722122334.db2.gz CXVKHJRSZXHPOI-UXHICEINSA-N 2 0 409.538 1.009 20 0 HDADRP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670489 1073623909 /nfs/dbraw/zinc/62/39/09/1073623909.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 2 0 400.567 1.250 20 0 HDADRP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777941 1073734324 /nfs/dbraw/zinc/73/43/24/1073734324.db2.gz QGZSXZTYRSLDBV-IFMALSPDSA-N 2 0 417.598 1.603 20 0 HDADRP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000673930882 1073903598 /nfs/dbraw/zinc/90/35/98/1073903598.db2.gz MRVOKJFEAMKTOK-GCJKJVERSA-N 2 0 400.523 1.971 20 0 HDADRP CC(C)(CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000674089368 1074179952 /nfs/dbraw/zinc/17/99/52/1074179952.db2.gz DTCBUGIXNZPZKA-UXHICEINSA-N 2 0 404.599 1.994 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710073 1074537003 /nfs/dbraw/zinc/53/70/03/1074537003.db2.gz WPRUHKRTRMWEMT-NCOADZHNSA-N 2 0 411.550 1.792 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710075 1074537280 /nfs/dbraw/zinc/53/72/80/1074537280.db2.gz WPRUHKRTRMWEMT-YVSFHVDLSA-N 2 0 411.550 1.792 20 0 HDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507223585 1074712582 /nfs/dbraw/zinc/71/25/82/1074712582.db2.gz ILXNLNOIWPNIGV-UHFFFAOYSA-N 2 0 414.535 1.684 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000675103083 1074719578 /nfs/dbraw/zinc/71/95/78/1074719578.db2.gz IFGIBCKYMQAVKQ-HJNYFJLDSA-N 2 0 415.582 1.355 20 0 HDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000543617955 1074780206 /nfs/dbraw/zinc/78/02/06/1074780206.db2.gz JPLGZHXDKOOEGT-UHFFFAOYSA-N 2 0 404.603 1.415 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000477109224 1075095462 /nfs/dbraw/zinc/09/54/62/1075095462.db2.gz SRXMXGQNDLVKER-KRWDZBQOSA-N 2 0 423.989 1.425 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511682 1075191120 /nfs/dbraw/zinc/19/11/20/1075191120.db2.gz RIVYULWIYGOPLQ-GUDVDZBRSA-N 2 0 414.550 1.675 20 0 HDADRP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1OC ZINC000675754339 1075264389 /nfs/dbraw/zinc/26/43/89/1075264389.db2.gz RGFGEEFNAFFFKN-UHFFFAOYSA-N 2 0 413.584 1.929 20 0 HDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675813466 1075275560 /nfs/dbraw/zinc/27/55/60/1075275560.db2.gz IIPMNFPXQDFCEF-GOSISDBHSA-N 2 0 407.526 1.705 20 0 HDADRP Cc1cccc(F)c1CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804083812 1075357455 /nfs/dbraw/zinc/35/74/55/1075357455.db2.gz WPNNSUXNVNPNNS-UHFFFAOYSA-N 2 0 413.497 1.474 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000509384878 1075375111 /nfs/dbraw/zinc/37/51/11/1075375111.db2.gz ICMWKRYEMJPELG-UHFFFAOYSA-N 2 0 415.582 1.978 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000509384853 1075375132 /nfs/dbraw/zinc/37/51/32/1075375132.db2.gz HTRLYKQFBKZXBC-GOSISDBHSA-N 2 0 405.543 1.612 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000676090328 1075375340 /nfs/dbraw/zinc/37/53/40/1075375340.db2.gz XWTQAHFLJPPFNV-SFHVURJKSA-N 2 0 404.474 1.987 20 0 HDADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000676091728 1075376691 /nfs/dbraw/zinc/37/66/91/1075376691.db2.gz IRHFWXCMDHASQA-UHFFFAOYSA-N 2 0 408.462 1.463 20 0 HDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)n([C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451987 1075557392 /nfs/dbraw/zinc/55/73/92/1075557392.db2.gz LMVAOPPRUBCOHN-WOJBJXKFSA-N 2 0 424.549 1.787 20 0 HDADRP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000429437380 1075558815 /nfs/dbraw/zinc/55/88/15/1075558815.db2.gz ZKIIKOOPNGFWQT-PCCBWWKXSA-N 2 0 423.646 1.791 20 0 HDADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676500813 1075570185 /nfs/dbraw/zinc/57/01/85/1075570185.db2.gz DZEZTNAGSXIGCF-ZVDOUQERSA-N 2 0 405.587 1.051 20 0 HDADRP c1ccc(C[N@@H+]2CCCO[C@@H](CNC3CC[NH+](CCN4CCOCC4)CC3)C2)cc1 ZINC000429451411 1075617553 /nfs/dbraw/zinc/61/75/53/1075617553.db2.gz XRPRIRMLLGRPGA-DEOSSOPVSA-N 2 0 416.610 1.664 20 0 HDADRP c1ccc(C[N@@H+]2CCCO[C@H](CNC3CC[NH+](CCN4CCOCC4)CC3)C2)cc1 ZINC000429451415 1075617619 /nfs/dbraw/zinc/61/76/19/1075617619.db2.gz XRPRIRMLLGRPGA-XMMPIXPASA-N 2 0 416.610 1.664 20 0 HDADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000543687352 1075712049 /nfs/dbraw/zinc/71/20/49/1075712049.db2.gz IBMUZTCHJBUAME-OAQYLSRUSA-N 2 0 404.555 1.241 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000438698233 1075737418 /nfs/dbraw/zinc/73/74/18/1075737418.db2.gz RYRPHRMLLHJUPU-UHFFFAOYSA-N 2 0 413.570 2.169 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000509447412 1075759532 /nfs/dbraw/zinc/75/95/32/1075759532.db2.gz BVASNNIOCNCSQH-LJQANCHMSA-N 2 0 415.582 1.629 20 0 HDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)C1 ZINC000550799518 1075797862 /nfs/dbraw/zinc/79/78/62/1075797862.db2.gz MVOYMJBBSGPFHN-KRWDZBQOSA-N 2 0 412.538 2.254 20 0 HDADRP CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)(C(F)(F)F)CC1 ZINC001129306806 1075799372 /nfs/dbraw/zinc/79/93/72/1075799372.db2.gz CAORARGBMSYGDE-JKSUJKDBSA-N 2 0 401.477 1.988 20 0 HDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)CC2)CC1 ZINC000611181161 1075868181 /nfs/dbraw/zinc/86/81/81/1075868181.db2.gz RKGVBCFNRUKSCH-UHFFFAOYSA-N 2 0 415.582 1.893 20 0 HDADRP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@H]54)o3)[C@@H]2C1 ZINC000493468385 1075991515 /nfs/dbraw/zinc/99/15/15/1075991515.db2.gz WFORHTDPXAVEEW-XMTFNYHQSA-N 2 0 400.523 1.612 20 0 HDADRP C[C@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000495367290 1076006579 /nfs/dbraw/zinc/00/65/79/1076006579.db2.gz BBNHJDPGJLCIHX-LAUBAEHRSA-N 2 0 403.571 1.920 20 0 HDADRP C[NH+]1CCN(C[C@H](NC(=S)NCCCN2CCOCC2)c2ccccc2)CC1 ZINC000727702921 1076210210 /nfs/dbraw/zinc/21/02/10/1076210210.db2.gz GESYWXVTPVWITQ-FQEVSTJZSA-N 2 0 405.612 1.162 20 0 HDADRP C[NH+]1CCC(NC(=S)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000730949323 1076699920 /nfs/dbraw/zinc/69/99/20/1076699920.db2.gz COOQTTMYAWPURV-GOSISDBHSA-N 2 0 403.596 1.442 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001164690365 719759192 /nfs/dbraw/zinc/75/91/92/719759192.db2.gz AZZITTFOBFINNK-IERDGZPVSA-N 2 0 413.501 1.422 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001164821096 720301083 /nfs/dbraw/zinc/30/10/83/720301083.db2.gz JKMLNKDYWVSKBK-ZWKOTPCHSA-N 2 0 418.973 1.687 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001164833847 720330014 /nfs/dbraw/zinc/33/00/14/720330014.db2.gz XRANOZCJLFQHBK-LEWJYISDSA-N 2 0 412.582 1.855 20 0 HDADRP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743361 720742663 /nfs/dbraw/zinc/74/26/63/720742663.db2.gz PSNMOTOTQVKTSO-OALUTQOASA-N 2 0 410.522 1.688 20 0 HDADRP c1cc(OCC[NH+]2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743363 720744361 /nfs/dbraw/zinc/74/43/61/720744361.db2.gz PSNMOTOTQVKTSO-RBUKOAKNSA-N 2 0 410.522 1.688 20 0 HDADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749292 720800780 /nfs/dbraw/zinc/80/07/80/720800780.db2.gz TVHHVZBLXFHARB-FXAWDEMLSA-N 2 0 410.522 1.687 20 0 HDADRP C[NH+]1CCC(Oc2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749294 720801063 /nfs/dbraw/zinc/80/10/63/720801063.db2.gz TVHHVZBLXFHARB-XLIONFOSSA-N 2 0 410.522 1.687 20 0 HDADRP C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2C[N@H+](C)CC3)c2c1C[NH2+]CC2 ZINC001164855017 720806393 /nfs/dbraw/zinc/80/63/93/720806393.db2.gz WDBIGIOALHWOBD-GFCCVEGCSA-N 2 0 415.929 1.574 20 0 HDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749283 720839552 /nfs/dbraw/zinc/83/95/52/720839552.db2.gz VPQYXQALGZDJBO-JAXLGGSGSA-N 2 0 422.581 1.915 20 0 HDADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164749666 720961573 /nfs/dbraw/zinc/96/15/73/720961573.db2.gz GIQXOKMUVSVDHX-UHFFFAOYSA-N 2 0 404.902 1.223 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895418 721425591 /nfs/dbraw/zinc/42/55/91/721425591.db2.gz OUTJPEAWYMMTPY-OFNKIYASSA-N 2 0 414.598 1.709 20 0 HDADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001165010983 721743483 /nfs/dbraw/zinc/74/34/83/721743483.db2.gz RQRIPFYSHNOPLD-UHFFFAOYSA-N 3 0 400.571 1.532 20 0 HDADRP Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164984765 722104928 /nfs/dbraw/zinc/10/49/28/722104928.db2.gz UWYFRSXLZVDEJG-VQIMIIECSA-N 2 0 414.941 1.898 20 0 HDADRP COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCCn2c[nH+]c(COCC[NH+](C)C)c2C1 ZINC001164999872 722251416 /nfs/dbraw/zinc/25/14/16/722251416.db2.gz HXMZZBMFQRPVHU-UHFFFAOYSA-N 2 0 413.482 1.381 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1ccc(OC3CC[NH2+]CC3)nn1)CCC2 ZINC001165003506 722256880 /nfs/dbraw/zinc/25/68/80/722256880.db2.gz FLTZTSALQNPANR-UHFFFAOYSA-N 2 0 415.542 1.292 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)c1 ZINC000673673714 1073629993 /nfs/dbraw/zinc/62/99/93/1073629993.db2.gz UVBRAPOLMAOWMN-HSZRJFAPSA-N 2 0 413.610 1.746 20 0 HDADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000673802072 1073750862 /nfs/dbraw/zinc/75/08/62/1073750862.db2.gz IKCXEKRSUAUSEO-HXUWFJFHSA-N 2 0 416.566 1.384 20 0 HDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)C[C@H](C)O1 ZINC000429182779 1073981952 /nfs/dbraw/zinc/98/19/52/1073981952.db2.gz NHDNVHCEWWBNIY-PMACEKPBSA-N 2 0 423.646 1.933 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000674329210 1074278053 /nfs/dbraw/zinc/27/80/53/1074278053.db2.gz UBKOLWDRJGEJSL-UHFFFAOYSA-N 2 0 417.598 1.917 20 0 HDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000674411567 1074313115 /nfs/dbraw/zinc/31/31/15/1074313115.db2.gz DSWNUWQTTLAKMC-HXUWFJFHSA-N 2 0 401.555 1.129 20 0 HDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000674403700 1074315505 /nfs/dbraw/zinc/31/55/05/1074315505.db2.gz IHJDYXVYGZAEMQ-NRFANRHFSA-N 2 0 421.630 1.691 20 0 HDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000675198852 1074755671 /nfs/dbraw/zinc/75/56/71/1074755671.db2.gz ZGRHTYQVUBTCJC-LJQANCHMSA-N 2 0 409.619 1.986 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000477081850 1074788975 /nfs/dbraw/zinc/78/89/75/1074788975.db2.gz NEUWXFFPOFJKJF-TYPHKJRUSA-N 3 0 423.646 1.629 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000477092948 1074791498 /nfs/dbraw/zinc/79/14/98/1074791498.db2.gz DDBTZSLMZBTSFX-IRXDYDNUSA-N 2 0 421.561 1.601 20 0 HDADRP CN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670502892 1074816627 /nfs/dbraw/zinc/81/66/27/1074816627.db2.gz RGGFUTMIJDRIBK-RTWAWAEBSA-N 2 0 415.582 1.032 20 0 HDADRP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000675736470 1075261319 /nfs/dbraw/zinc/26/13/19/1075261319.db2.gz TZBJGDQKVZRIGX-JKSUJKDBSA-N 2 0 417.597 1.002 20 0 HDADRP CN(OCc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804083523 1075363001 /nfs/dbraw/zinc/36/30/01/1075363001.db2.gz ANFZVCFRCDUGNB-UHFFFAOYSA-N 2 0 411.506 1.300 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[N@@H+]1Cc1ccccc1 ZINC000676099070 1075365827 /nfs/dbraw/zinc/36/58/27/1075365827.db2.gz BQFBNACBWMZXLW-AEFFLSMTSA-N 2 0 404.474 1.985 20 0 HDADRP CC[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000676089858 1075372198 /nfs/dbraw/zinc/37/21/98/1075372198.db2.gz KAYXNDVBELNYQF-FQEVSTJZSA-N 2 0 412.538 1.336 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cn1 ZINC000676129450 1075390038 /nfs/dbraw/zinc/39/00/38/1075390038.db2.gz KQBUJNHLBUEWBL-QUCCMNQESA-N 2 0 400.527 1.449 20 0 HDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509386318 1075408666 /nfs/dbraw/zinc/40/86/66/1075408666.db2.gz IWMYFHUYRFDTBA-UHFFFAOYSA-N 2 0 401.599 1.589 20 0 HDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)CC2)C1 ZINC000676167895 1075416759 /nfs/dbraw/zinc/41/67/59/1075416759.db2.gz LPTRVDCULXGPFL-PCCBWWKXSA-N 2 0 407.603 1.176 20 0 HDADRP Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676344397 1075518648 /nfs/dbraw/zinc/51/86/48/1075518648.db2.gz CCJNZHIZEAZYTQ-LJQANCHMSA-N 2 0 424.549 1.547 20 0 HDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)n([C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000676451985 1075557501 /nfs/dbraw/zinc/55/75/01/1075557501.db2.gz LMVAOPPRUBCOHN-UXHICEINSA-N 2 0 424.549 1.787 20 0 HDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000676546597 1075593813 /nfs/dbraw/zinc/59/38/13/1075593813.db2.gz JGXJXEUJTZHNSR-UHFFFAOYSA-N 2 0 412.538 1.426 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000676547685 1075595442 /nfs/dbraw/zinc/59/54/42/1075595442.db2.gz BPQCNALCXDJYEE-LJQANCHMSA-N 2 0 412.538 1.412 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCC[C@@H]1C1OCCO1 ZINC000732458176 1075749023 /nfs/dbraw/zinc/74/90/23/1075749023.db2.gz FDJGEGYERWHYFK-LJQANCHMSA-N 2 0 403.527 1.531 20 0 HDADRP Ic1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000547329739 1075768087 /nfs/dbraw/zinc/76/80/87/1075768087.db2.gz NTCIJAMOHWWDFA-UHFFFAOYSA-N 2 0 424.290 2.100 20 0 HDADRP CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181253 1075867937 /nfs/dbraw/zinc/86/79/37/1075867937.db2.gz XJQCWHDWEKHLST-PMACEKPBSA-N 2 0 422.614 1.667 20 0 HDADRP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611180900 1075868473 /nfs/dbraw/zinc/86/84/73/1075868473.db2.gz FKIREBPUVYYNCZ-GOSISDBHSA-N 2 0 408.587 1.277 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950528 1076700367 /nfs/dbraw/zinc/70/03/67/1076700367.db2.gz PQRYMRGBKSANDU-VQTJNVASSA-N 2 0 417.623 1.832 20 0 HDADRP C[NH+]1CCC(Oc2ccnc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)c2)CC1 ZINC001164655284 719327257 /nfs/dbraw/zinc/32/72/57/719327257.db2.gz POEVERMUZAASQN-UHFFFAOYSA-N 2 0 421.523 1.155 20 0 HDADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164816749 720249577 /nfs/dbraw/zinc/24/95/77/720249577.db2.gz MATQZFODDYDELG-GOSISDBHSA-N 2 0 410.522 1.890 20 0 HDADRP c1ncn(C[C@H]2C[C@@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749287 720839606 /nfs/dbraw/zinc/83/96/06/720839606.db2.gz VPQYXQALGZDJBO-KCZVDYSFSA-N 2 0 422.581 1.915 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164865853 721058945 /nfs/dbraw/zinc/05/89/45/721058945.db2.gz APAGUGFJMNNBPW-HZPDHXFCSA-N 2 0 400.914 1.650 20 0 HDADRP Cc1ccc(N2CCO[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C[C@@H]32)nn1 ZINC001164777251 721313839 /nfs/dbraw/zinc/31/38/39/721313839.db2.gz SFELHUIQAAPCNQ-VQTJNVASSA-N 2 0 410.522 1.747 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)CC1 ZINC001164904682 721544179 /nfs/dbraw/zinc/54/41/79/721544179.db2.gz FZFJUAFDAJMPOQ-ICSRJNTNSA-N 2 0 412.513 1.885 20 0 HDADRP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670114 1073624702 /nfs/dbraw/zinc/62/47/02/1073624702.db2.gz QWASFTGMSUWCPD-OAQYLSRUSA-N 2 0 414.598 1.221 20 0 HDADRP Cc1c(C(=O)NC[C@]2([NH+](C)C)CCSC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673958858 1073938473 /nfs/dbraw/zinc/93/84/73/1073938473.db2.gz YGEGPBKMKVFRDR-OAQYLSRUSA-N 2 0 414.579 1.731 20 0 HDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000674038731 1074109661 /nfs/dbraw/zinc/10/96/61/1074109661.db2.gz BJGUKUBGVZTEPX-IBGZPJMESA-N 2 0 401.555 1.234 20 0 HDADRP COc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(OC)CC2)[NH+](C)C)cc1OC ZINC000674325848 1074275261 /nfs/dbraw/zinc/27/52/61/1074275261.db2.gz KRXHFYXQLPTGJA-GOSISDBHSA-N 2 0 408.543 1.717 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000674331459 1074286220 /nfs/dbraw/zinc/28/62/20/1074286220.db2.gz HFIHFNDFSOFZBC-UHFFFAOYSA-N 2 0 404.555 1.553 20 0 HDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000674686716 1074524060 /nfs/dbraw/zinc/52/40/60/1074524060.db2.gz BMLPKIXYYQVZDK-SFHVURJKSA-N 2 0 414.554 1.650 20 0 HDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670484100 1074570216 /nfs/dbraw/zinc/57/02/16/1074570216.db2.gz VTQVHPOTWZUUPS-OAQYLSRUSA-N 2 0 416.566 1.240 20 0 HDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000675186220 1074751327 /nfs/dbraw/zinc/75/13/27/1074751327.db2.gz MHOATMAKNNVNAB-IBGZPJMESA-N 2 0 403.575 1.552 20 0 HDADRP CN(c1ccccc1C[NH2+][C@H]1CCN(CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000675345495 1074810266 /nfs/dbraw/zinc/81/02/66/1074810266.db2.gz VGOQUBKTBDGUCL-QFIPXVFZSA-N 2 0 415.626 1.713 20 0 HDADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+]2CCCCC2)cc1 ZINC000670527675 1075152400 /nfs/dbraw/zinc/15/24/00/1075152400.db2.gz WBRROWLNDZZMAA-QUCCMNQESA-N 2 0 402.539 1.549 20 0 HDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000675742719 1075267018 /nfs/dbraw/zinc/26/70/18/1075267018.db2.gz VTBLRPKQQNRPKH-SFHVURJKSA-N 2 0 424.611 1.384 20 0 HDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092738 1075351778 /nfs/dbraw/zinc/35/17/78/1075351778.db2.gz AASONCKXMQARQI-UHFFFAOYSA-N 2 0 400.527 1.494 20 0 HDADRP CS[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000804083722 1075354322 /nfs/dbraw/zinc/35/43/22/1075354322.db2.gz FABGUMBTQBISND-SJLPKXTDSA-N 2 0 405.568 1.110 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cn1 ZINC000676094377 1075355992 /nfs/dbraw/zinc/35/59/92/1075355992.db2.gz VMOKRCOXXNHMBG-FQEVSTJZSA-N 2 0 412.538 1.727 20 0 HDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676096174 1075360020 /nfs/dbraw/zinc/36/00/20/1075360020.db2.gz INYMOMVKKRCGDS-KRWDZBQOSA-N 2 0 412.538 1.725 20 0 HDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097070 1075360392 /nfs/dbraw/zinc/36/03/92/1075360392.db2.gz TYGVFVNADSFAGP-QZTJIDSGSA-N 2 0 404.559 1.496 20 0 HDADRP Cc1c(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474381 1075361107 /nfs/dbraw/zinc/36/11/07/1075361107.db2.gz PJGWMWAFEQXDRI-ROUUACIJSA-N 2 0 410.522 1.157 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000676099758 1075364976 /nfs/dbraw/zinc/36/49/76/1075364976.db2.gz WOIPDRIYAVFJGO-IEBWSBKVSA-N 2 0 412.538 1.553 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000676090327 1075375191 /nfs/dbraw/zinc/37/51/91/1075375191.db2.gz XWTQAHFLJPPFNV-GOSISDBHSA-N 2 0 404.474 1.987 20 0 HDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)CC2)C1 ZINC000676167863 1075416690 /nfs/dbraw/zinc/41/66/90/1075416690.db2.gz LPTRVDCULXGPFL-ACRUOGEOSA-N 2 0 407.603 1.176 20 0 HDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000551510103 1075453776 /nfs/dbraw/zinc/45/37/76/1075453776.db2.gz RLWWJTHTTRKTIR-GOSISDBHSA-N 2 0 408.462 1.634 20 0 HDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)ccn1 ZINC000509400747 1075489896 /nfs/dbraw/zinc/48/98/96/1075489896.db2.gz CRIDFUSGUNKDAI-UHFFFAOYSA-N 2 0 404.555 1.987 20 0 HDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000426912360 1075503330 /nfs/dbraw/zinc/50/33/30/1075503330.db2.gz UDJUKVHOWBEMIX-KRWDZBQOSA-N 2 0 418.586 2.105 20 0 HDADRP C[C@@H](NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000427236146 1075583751 /nfs/dbraw/zinc/58/37/51/1075583751.db2.gz DQIXYTSDADKPHY-UZLBHIALSA-N 2 0 412.538 1.896 20 0 HDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000429464253 1075678547 /nfs/dbraw/zinc/67/85/47/1075678547.db2.gz DPTVLQHXOXBPEP-RBUKOAKNSA-N 2 0 415.582 1.609 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000509277957 1075817471 /nfs/dbraw/zinc/81/74/71/1075817471.db2.gz DDAIUNOBLPITSI-HXUWFJFHSA-N 2 0 409.619 1.939 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000728055585 1076322524 /nfs/dbraw/zinc/32/25/24/1076322524.db2.gz VVUZSNGZKZFRGZ-SFHVURJKSA-N 2 0 402.539 1.852 20 0 HDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C2=O ZINC000730932407 1076695098 /nfs/dbraw/zinc/69/50/98/1076695098.db2.gz GQIUSHRQCMQCGD-UHFFFAOYSA-N 2 0 406.914 1.909 20 0 HDADRP CNC(=O)CO[C@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164677672 719555185 /nfs/dbraw/zinc/55/51/85/719555185.db2.gz QYZIOLSHYLBSMD-LJQANCHMSA-N 2 0 418.538 1.445 20 0 HDADRP CCN(C)c1cc(C)[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)n1 ZINC001164716070 720163411 /nfs/dbraw/zinc/16/34/11/720163411.db2.gz XKQWLQDOUXRIIC-GOSISDBHSA-N 2 0 414.558 1.586 20 0 HDADRP CCN(C)c1cc(C)[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164716078 720163964 /nfs/dbraw/zinc/16/39/64/720163964.db2.gz XKQWLQDOUXRIIC-SFHVURJKSA-N 2 0 414.558 1.586 20 0 HDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ncnc5c4CC[NH2+]CC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744168 720809768 /nfs/dbraw/zinc/80/97/68/720809768.db2.gz HQVFTXPKTWXMRZ-BBTUJRGHSA-N 2 0 408.554 1.136 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@H]43)c2)CC1 ZINC001164847293 720822826 /nfs/dbraw/zinc/82/28/26/720822826.db2.gz ITRDNOMJLGDBGT-AABGKKOBSA-N 2 0 416.522 1.845 20 0 HDADRP Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC001164766629 721039019 /nfs/dbraw/zinc/03/90/19/721039019.db2.gz RJNHOCBOUQPNQP-VQTJNVASSA-N 2 0 410.522 1.782 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896642 721426374 /nfs/dbraw/zinc/42/63/74/721426374.db2.gz RQCGJOXIBUFNDK-REWPJTCUSA-N 2 0 415.582 1.684 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)CC1 ZINC001164978364 722102094 /nfs/dbraw/zinc/10/20/94/722102094.db2.gz GTATXHBIQMTXIR-NHCUHLMSSA-N 2 0 423.565 1.351 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[C@H]3C2)c1 ZINC001164971868 722122593 /nfs/dbraw/zinc/12/25/93/722122593.db2.gz CXVKHJRSZXHPOI-VQTJNVASSA-N 2 0 409.538 1.009 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978058 722130342 /nfs/dbraw/zinc/13/03/42/722130342.db2.gz JKLVGYDNZKTHPH-TZIWHRDSSA-N 2 0 423.565 1.526 20 0 HDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000673637212 1073463834 /nfs/dbraw/zinc/46/38/34/1073463834.db2.gz JZSMKNYNEPEDHZ-QHCPKHFHSA-N 2 0 410.518 1.554 20 0 HDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000673713792 1073653406 /nfs/dbraw/zinc/65/34/06/1073653406.db2.gz GCPIZOIWFYKFEK-FCHUYYIVSA-N 2 0 402.583 1.666 20 0 HDADRP C[C@@H](CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777943 1073734162 /nfs/dbraw/zinc/73/41/62/1073734162.db2.gz QGZSXZTYRSLDBV-RBBKRZOGSA-N 2 0 417.598 1.603 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000501238174 1073766154 /nfs/dbraw/zinc/76/61/54/1073766154.db2.gz RIMFQJQFWIWRAJ-QGZVFWFLSA-N 2 0 417.554 1.249 20 0 HDADRP CC(C)(CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000674089371 1074180003 /nfs/dbraw/zinc/18/00/03/1074180003.db2.gz DTCBUGIXNZPZKA-VQTJNVASSA-N 2 0 404.599 1.994 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000674922704 1074623082 /nfs/dbraw/zinc/62/30/82/1074623082.db2.gz GZXGGGSSRVBWLA-UXHICEINSA-N 2 0 403.527 1.183 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000509339097 1075152619 /nfs/dbraw/zinc/15/26/19/1075152619.db2.gz AAAIXBOFYTXFOA-UHFFFAOYSA-N 2 0 419.570 1.323 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000675581681 1075212658 /nfs/dbraw/zinc/21/26/58/1075212658.db2.gz HHXROGWMOKOLAA-WOJBJXKFSA-N 2 0 407.603 1.835 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000445012207 1075228683 /nfs/dbraw/zinc/22/86/83/1075228683.db2.gz OOMKLBVKVUVGAK-CQSZACIVSA-N 2 0 406.560 2.116 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000676040880 1075338427 /nfs/dbraw/zinc/33/84/27/1075338427.db2.gz ZRKAJXFAWGLXGB-VQTJNVASSA-N 2 0 407.603 1.978 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000804084040 1075351358 /nfs/dbraw/zinc/35/13/58/1075351358.db2.gz KKQSPBIXGMJDKK-LJQANCHMSA-N 2 0 422.533 1.121 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000676092037 1075352818 /nfs/dbraw/zinc/35/28/18/1075352818.db2.gz TZGSLUOQGYLSFZ-UHFFFAOYSA-N 2 0 405.462 1.382 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cn1 ZINC000676096876 1075358397 /nfs/dbraw/zinc/35/83/97/1075358397.db2.gz GAUIZPZILGCLEM-KRWDZBQOSA-N 2 0 406.918 1.456 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731624250 1075418167 /nfs/dbraw/zinc/41/81/67/1075418167.db2.gz FHFDYDXWHNTHNS-IBGZPJMESA-N 2 0 415.513 1.860 20 0 HDADRP C[NH+]1CCN(c2cccc(C(=O)N3CCC(CCC[NH+]4CCOCC4)CC3)n2)CC1 ZINC000509396778 1075473882 /nfs/dbraw/zinc/47/38/82/1075473882.db2.gz MOMHJGBLXAVEEW-UHFFFAOYSA-N 2 0 415.582 1.798 20 0 HDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NCC(C)(C)N3CC[NH+](C)CC3)CC2)CC1 ZINC000676384039 1075540010 /nfs/dbraw/zinc/54/00/10/1075540010.db2.gz NSSBPUFYTYNGNM-UHFFFAOYSA-N 2 0 408.635 1.212 20 0 HDADRP C[C@H](CNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000429437378 1075559024 /nfs/dbraw/zinc/55/90/24/1075559024.db2.gz ZKIIKOOPNGFWQT-NJDAHSKKSA-N 2 0 423.646 1.791 20 0 HDADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000676500801 1075570311 /nfs/dbraw/zinc/57/03/11/1075570311.db2.gz DZEZTNAGSXIGCF-QKNQBKEWSA-N 2 0 405.587 1.051 20 0 HDADRP COCCC[NH+]1CCC(NC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000543679995 1075606898 /nfs/dbraw/zinc/60/68/98/1075606898.db2.gz LZAVGXSNJSUEAF-UHFFFAOYSA-N 2 0 409.619 1.546 20 0 HDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000429462313 1075675008 /nfs/dbraw/zinc/67/50/08/1075675008.db2.gz AUYAFAIKMNFMDF-IBGZPJMESA-N 2 0 415.582 1.406 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000509434738 1075678596 /nfs/dbraw/zinc/67/85/96/1075678596.db2.gz ZBKYBHXTORCWMR-FQEVSTJZSA-N 2 0 403.571 1.793 20 0 HDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246128 1075679796 /nfs/dbraw/zinc/67/97/96/1075679796.db2.gz NKWPDRZEVUYMBQ-TZIWHRDSSA-N 2 0 402.539 1.824 20 0 HDADRP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000732229681 1075684286 /nfs/dbraw/zinc/68/42/86/1075684286.db2.gz YEVVOGUJUZJBLQ-HOTGVXAUSA-N 2 0 418.991 1.531 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000467951129 1075737409 /nfs/dbraw/zinc/73/74/09/1075737409.db2.gz AJXRJPKRJQQGEW-UHFFFAOYSA-N 2 0 402.465 2.372 20 0 HDADRP C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766181666 1075808479 /nfs/dbraw/zinc/80/84/79/1075808479.db2.gz DEVNWEJJBNWGGQ-DNVCBOLYSA-N 2 0 409.556 1.034 20 0 HDADRP CC[NH+](CC)CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000727071820 1076038286 /nfs/dbraw/zinc/03/82/86/1076038286.db2.gz GVGDPEAMPVCHRJ-INIZCTEOSA-N 2 0 406.662 1.280 20 0 HDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000733669503 1076149562 /nfs/dbraw/zinc/14/95/62/1076149562.db2.gz KCTKDIHEMZRZNE-GOSISDBHSA-N 2 0 401.555 1.758 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CCC[N@@H+](C(C)C)CC3)cc2)CC1 ZINC000727950402 1076295091 /nfs/dbraw/zinc/29/50/91/1076295091.db2.gz BXONOTQIZDABMK-UHFFFAOYSA-N 2 0 401.555 1.710 20 0 HDADRP C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730949666 1076700135 /nfs/dbraw/zinc/70/01/35/1076700135.db2.gz DHMABBVXSBEPRB-LJQANCHMSA-N 2 0 419.639 1.936 20 0 HDADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(OC4CC[NH2+]CC4)nn3)CC2)CC1 ZINC001164618598 719031822 /nfs/dbraw/zinc/03/18/22/719031822.db2.gz VFAPAGUROYAZDY-UHFFFAOYSA-N 2 0 417.554 1.851 20 0 HDADRP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1OCC1CC[NH2+]CC1 ZINC001164748702 720804492 /nfs/dbraw/zinc/80/44/92/720804492.db2.gz RBICSKRDDCPXTR-AZUAARDMSA-N 2 0 410.522 1.592 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164855622 720890165 /nfs/dbraw/zinc/89/01/65/720890165.db2.gz HMQWPYVRHNARTC-FPOVZHCZSA-N 2 0 404.555 1.634 20 0 HDADRP CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]21 ZINC001164758958 721000375 /nfs/dbraw/zinc/00/03/75/721000375.db2.gz XRUOFWGCZYLYLJ-LSTHTHJFSA-N 2 0 417.554 1.667 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164865851 721058349 /nfs/dbraw/zinc/05/83/49/721058349.db2.gz APAGUGFJMNNBPW-CVEARBPZSA-N 2 0 400.914 1.650 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2)CC1 ZINC001164898958 721484648 /nfs/dbraw/zinc/48/46/48/721484648.db2.gz XNXQDCIPIKRRPN-FDDCHVKYSA-N 2 0 414.550 1.924 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164800350 721569704 /nfs/dbraw/zinc/56/97/04/721569704.db2.gz FCUZZHMQENITQL-QZNHQXDQSA-N 2 0 408.550 1.754 20 0 HDADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001165012899 721747990 /nfs/dbraw/zinc/74/79/90/721747990.db2.gz RCFGCWSBVFUZRK-UHFFFAOYSA-N 2 0 416.570 1.378 20 0 HDADRP CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]2C1 ZINC001164948837 721989986 /nfs/dbraw/zinc/98/99/86/721989986.db2.gz FJEWTRDZFDITLI-IAGOWNOFSA-N 2 0 423.583 1.119 20 0 HDADRP Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C[NH2+]CC2 ZINC001164985913 722100037 /nfs/dbraw/zinc/10/00/37/722100037.db2.gz XQWRGKLQOHOBMZ-APWZRJJASA-N 2 0 414.941 1.898 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)CCC2 ZINC001165002864 722255617 /nfs/dbraw/zinc/25/56/17/722255617.db2.gz VESSUSQWKNNXPM-UHFFFAOYSA-N 3 0 413.570 1.694 20 0 HDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)c1 ZINC000673661571 1073615368 /nfs/dbraw/zinc/61/53/68/1073615368.db2.gz INFFSGPLSRTXRW-FGZHOGPDSA-N 2 0 400.567 1.565 20 0 HDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778015 1073734379 /nfs/dbraw/zinc/73/43/79/1073734379.db2.gz SAEAULNVCGXVAR-WOJBJXKFSA-N 2 0 423.989 1.648 20 0 HDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778012 1073734458 /nfs/dbraw/zinc/73/44/58/1073734458.db2.gz SAEAULNVCGXVAR-PMACEKPBSA-N 2 0 423.989 1.648 20 0 HDADRP Cc1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673828612 1073786133 /nfs/dbraw/zinc/78/61/33/1073786133.db2.gz IAQVFLRXQCKQKE-UHFFFAOYSA-N 2 0 424.549 1.500 20 0 HDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000674038737 1074109582 /nfs/dbraw/zinc/10/95/82/1074109582.db2.gz BJGUKUBGVZTEPX-LJQANCHMSA-N 2 0 401.555 1.234 20 0 HDADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000674329943 1074279137 /nfs/dbraw/zinc/27/91/37/1074279137.db2.gz VGROLBGSNMXBOF-OAQYLSRUSA-N 2 0 409.619 1.450 20 0 HDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000674404447 1074315880 /nfs/dbraw/zinc/31/58/80/1074315880.db2.gz PGXRURSFFKGGEV-WOJBJXKFSA-N 2 0 408.587 1.510 20 0 HDADRP c1cnc2nc(NCC[NH+]3CCSCC3)c(NCC[NH+]3CCSCC3)nc2c1 ZINC000675151113 1074738407 /nfs/dbraw/zinc/73/84/07/1074738407.db2.gz HKRCOWNPCWHRNN-UHFFFAOYSA-N 2 0 419.624 1.946 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000477094779 1074791889 /nfs/dbraw/zinc/79/18/89/1074791889.db2.gz FLBSSPLJPVQRNP-IBGZPJMESA-N 2 0 423.646 1.488 20 0 HDADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675566668 1075217560 /nfs/dbraw/zinc/21/75/60/1075217560.db2.gz PCEBYNLXTRTEBH-GOSISDBHSA-N 2 0 422.595 1.439 20 0 HDADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000675787018 1075271863 /nfs/dbraw/zinc/27/18/63/1075271863.db2.gz QLNWRPFZSYULJE-ROUUACIJSA-N 2 0 400.523 1.708 20 0 HDADRP Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[NH+]2CCCC2)cc1 ZINC000532997330 1075334728 /nfs/dbraw/zinc/33/47/28/1075334728.db2.gz WCBXDMNTCRQQDR-IBGZPJMESA-N 2 0 412.538 1.645 20 0 HDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093779 1075353643 /nfs/dbraw/zinc/35/36/43/1075353643.db2.gz OZAHYHBDZWISEC-UHFFFAOYSA-N 2 0 420.945 1.627 20 0 HDADRP CS[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000804083720 1075353930 /nfs/dbraw/zinc/35/39/30/1075353930.db2.gz FABGUMBTQBISND-AEFFLSMTSA-N 2 0 405.568 1.110 20 0 HDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676097040 1075360775 /nfs/dbraw/zinc/36/07/75/1075360775.db2.gz LYRKBFHWKIWXIG-GOSISDBHSA-N 2 0 412.538 1.506 20 0 HDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098071 1075362647 /nfs/dbraw/zinc/36/26/47/1075362647.db2.gz YFSIVBRVOAEZFM-IBGZPJMESA-N 2 0 412.538 1.364 20 0 HDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088483 1075371467 /nfs/dbraw/zinc/37/14/67/1075371467.db2.gz AKTGCIOKTAZMOU-UHFFFAOYSA-N 2 0 414.535 1.684 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000676128851 1075388730 /nfs/dbraw/zinc/38/87/30/1075388730.db2.gz FPIOQARTKGUCPP-ICSRJNTNSA-N 2 0 400.527 1.449 20 0 HDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)CC2)C1 ZINC000676167896 1075416994 /nfs/dbraw/zinc/41/69/94/1075416994.db2.gz LPTRVDCULXGPFL-PWRODBHTSA-N 2 0 407.603 1.176 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000731624251 1075418244 /nfs/dbraw/zinc/41/82/44/1075418244.db2.gz FHFDYDXWHNTHNS-LJQANCHMSA-N 2 0 415.513 1.860 20 0 HDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676190907 1075420553 /nfs/dbraw/zinc/42/05/53/1075420553.db2.gz CDLOFGRMFGSLIX-MQSCRBSSSA-N 2 0 401.551 1.508 20 0 HDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676190905 1075420591 /nfs/dbraw/zinc/42/05/91/1075420591.db2.gz CDLOFGRMFGSLIX-FUPPJEDESA-N 2 0 401.551 1.508 20 0 HDADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000676500808 1075570342 /nfs/dbraw/zinc/57/03/42/1075570342.db2.gz DZEZTNAGSXIGCF-SBHAEUEKSA-N 2 0 405.587 1.051 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000676547684 1075595392 /nfs/dbraw/zinc/59/53/92/1075595392.db2.gz BPQCNALCXDJYEE-IBGZPJMESA-N 2 0 412.538 1.412 20 0 HDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000538085818 1075698774 /nfs/dbraw/zinc/69/87/74/1075698774.db2.gz GHSNURYZCSVPQE-UHFFFAOYSA-N 2 0 400.531 1.165 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126392 1075978776 /nfs/dbraw/zinc/97/87/76/1075978776.db2.gz YAYKDSSOYNZHAQ-WIYYLYMNSA-N 2 0 413.566 1.710 20 0 HDADRP CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000733157055 1075990828 /nfs/dbraw/zinc/99/08/28/1075990828.db2.gz RWWABLBCMCHQBG-UHFFFAOYSA-N 2 0 416.563 1.422 20 0 HDADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000511822860 1075999065 /nfs/dbraw/zinc/99/90/65/1075999065.db2.gz IVGLAGIZBNJMKJ-XPNTWCBSSA-N 2 0 404.599 1.206 20 0 HDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CCC[NH+](C)CC3)cc2)CC1 ZINC000727951117 1076295791 /nfs/dbraw/zinc/29/57/91/1076295791.db2.gz GWYHMWUBWRMLOB-UHFFFAOYSA-N 2 0 401.555 1.710 20 0 HDADRP Cn1nnc2c1CCN(c1cc(-n3ccnc3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164715035 720201680 /nfs/dbraw/zinc/20/16/80/720201680.db2.gz IOPPTFWQODONEC-IBGZPJMESA-N 2 0 408.510 1.612 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164853356 720886629 /nfs/dbraw/zinc/88/66/29/720886629.db2.gz CAXGAOAQBBGTDE-NQIIRXRSSA-N 3 0 404.555 1.728 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164869555 721045312 /nfs/dbraw/zinc/04/53/12/721045312.db2.gz UHSLBNFXGUUNRA-CVEARBPZSA-N 2 0 400.914 1.650 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895416 721425461 /nfs/dbraw/zinc/42/54/61/721425461.db2.gz OUTJPEAWYMMTPY-NFBKMPQASA-N 2 0 414.598 1.709 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)CC1 ZINC001164978374 722101976 /nfs/dbraw/zinc/10/19/76/722101976.db2.gz GTATXHBIQMTXIR-SFTDATJTSA-N 2 0 423.565 1.351 20 0 HDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000429049282 1073469131 /nfs/dbraw/zinc/46/91/31/1073469131.db2.gz UMUKNXZUYGINAD-YADHBBJMSA-N 2 0 416.566 1.641 20 0 HDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[N@H+](C[C@@H]4CCCO4)CC3)c2)CC1 ZINC000673650314 1073544023 /nfs/dbraw/zinc/54/40/23/1073544023.db2.gz MOXNAVAVXGCIGX-QFIPXVFZSA-N 2 0 400.567 1.761 20 0 HDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000429095332 1073561850 /nfs/dbraw/zinc/56/18/50/1073561850.db2.gz GKFYLOGPXABPMV-HXUWFJFHSA-N 2 0 401.555 1.794 20 0 HDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000673871741 1073836252 /nfs/dbraw/zinc/83/62/52/1073836252.db2.gz OXTAFLCJJSJLPB-UHFFFAOYSA-N 2 0 401.515 1.058 20 0 HDADRP CC(C)(CO)[NH+]1CCN(Cc2ccccc2CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673894665 1073864937 /nfs/dbraw/zinc/86/49/37/1073864937.db2.gz BPFLZRRRLSFETJ-UHFFFAOYSA-N 2 0 418.626 1.464 20 0 HDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000673986818 1073998358 /nfs/dbraw/zinc/99/83/58/1073998358.db2.gz WQDZUBASXZDAII-UHFFFAOYSA-N 2 0 410.584 1.708 20 0 HDADRP CC(=O)N1CCc2cc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc21 ZINC000673986477 1073998886 /nfs/dbraw/zinc/99/88/86/1073998886.db2.gz OKZPUVLOCIHGGU-UHFFFAOYSA-N 2 0 410.584 1.490 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000674329051 1074278034 /nfs/dbraw/zinc/27/80/34/1074278034.db2.gz WNAQGYWRMXMFGU-UHFFFAOYSA-N 2 0 417.598 1.999 20 0 HDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(OCCCO)CC2)CC1 ZINC000674914161 1074612865 /nfs/dbraw/zinc/61/28/65/1074612865.db2.gz NTVGVPVKCXKSDN-UHFFFAOYSA-N 2 0 403.567 1.939 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000477053709 1074755062 /nfs/dbraw/zinc/75/50/62/1074755062.db2.gz ASEGGHDSPIYZEI-KRWDZBQOSA-N 2 0 404.555 1.106 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000477057485 1074763252 /nfs/dbraw/zinc/76/32/52/1074763252.db2.gz NQKLTNWZDBADSG-KRWDZBQOSA-N 2 0 404.555 1.106 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000439214275 1075229307 /nfs/dbraw/zinc/22/93/07/1075229307.db2.gz XEXBCWQZTGQOJS-IBGZPJMESA-N 2 0 412.538 1.685 20 0 HDADRP C[C@H]1C[NH+](CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000543644281 1075263379 /nfs/dbraw/zinc/26/33/79/1075263379.db2.gz IFNXMBRWLXKHMQ-PMACEKPBSA-N 2 0 409.619 1.545 20 0 HDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000675742408 1075266759 /nfs/dbraw/zinc/26/67/59/1075266759.db2.gz OLPSFAKUIVUITH-SFHVURJKSA-N 2 0 424.611 1.384 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000676040878 1075337901 /nfs/dbraw/zinc/33/79/01/1075337901.db2.gz ZRKAJXFAWGLXGB-PMACEKPBSA-N 2 0 407.603 1.978 20 0 HDADRP Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[NH+]2CCCC2)cc1 ZINC000676093452 1075354357 /nfs/dbraw/zinc/35/43/57/1075354357.db2.gz JNBYIGBFPNNIFW-HXUWFJFHSA-N 2 0 412.538 1.645 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000676093074 1075354853 /nfs/dbraw/zinc/35/48/53/1075354853.db2.gz RZSQCOZDTBXADK-LJQANCHMSA-N 2 0 412.538 1.412 20 0 HDADRP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000676097152 1075362088 /nfs/dbraw/zinc/36/20/88/1075362088.db2.gz IYFWMJCGRDRPFK-GOSISDBHSA-N 2 0 412.538 1.506 20 0 HDADRP COc1cc(C=O)ccc1OCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000731621263 1075416534 /nfs/dbraw/zinc/41/65/34/1075416534.db2.gz DBHLOSROHORPLB-UHFFFAOYSA-N 2 0 412.490 1.610 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000466727954 1075508546 /nfs/dbraw/zinc/50/85/46/1075508546.db2.gz KYERQZTVBAVFLG-UHFFFAOYSA-N 2 0 424.630 1.915 20 0 HDADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccnn2[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000676451564 1075558197 /nfs/dbraw/zinc/55/81/97/1075558197.db2.gz FTBJNDBWOIORIM-RTBURBONSA-N 2 0 410.522 1.479 20 0 HDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)cc2)C1 ZINC000550799519 1075603615 /nfs/dbraw/zinc/60/36/15/1075603615.db2.gz MVOYMJBBSGPFHN-QGZVFWFLSA-N 2 0 412.538 2.254 20 0 HDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000676624610 1075629506 /nfs/dbraw/zinc/62/95/06/1075629506.db2.gz FNARQMCEARFELR-AQNXPRMDSA-N 2 0 401.555 1.304 20 0 HDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000429474503 1075736106 /nfs/dbraw/zinc/73/61/06/1075736106.db2.gz UFNBRAVTVUHQTG-GOSISDBHSA-N 2 0 401.555 1.016 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000476154417 1075738070 /nfs/dbraw/zinc/73/80/70/1075738070.db2.gz NVMVZYYADWRZOJ-LJQANCHMSA-N 2 0 400.527 1.723 20 0 HDADRP C[N@H+](CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCCC1 ZINC000427132324 1075759282 /nfs/dbraw/zinc/75/92/82/1075759282.db2.gz BQRLCEOBWUAGFT-UHFFFAOYSA-N 2 0 404.559 1.859 20 0 HDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)CC1 ZINC000440476855 1075803314 /nfs/dbraw/zinc/80/33/14/1075803314.db2.gz JRMMTYLNOZCBLZ-UHFFFAOYSA-N 2 0 424.549 2.565 20 0 HDADRP CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000611211212 1075874610 /nfs/dbraw/zinc/87/46/10/1075874610.db2.gz UDRWKOYTMMDVGQ-UGKGYDQZSA-N 2 0 419.566 1.965 20 0 HDADRP CS[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)C[C@@H]1[NH+](C)C ZINC000611217176 1075878309 /nfs/dbraw/zinc/87/83/09/1075878309.db2.gz VFJKOZZFLXJUGO-RBUKOAKNSA-N 2 0 414.579 1.681 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126391 1075978829 /nfs/dbraw/zinc/97/88/29/1075978829.db2.gz YAYKDSSOYNZHAQ-RXVVDRJESA-N 2 0 413.566 1.710 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1=O ZINC000733128543 1075979275 /nfs/dbraw/zinc/97/92/75/1075979275.db2.gz VMACKEXAJPQBGW-RBUKOAKNSA-N 2 0 413.566 1.710 20 0 HDADRP CC[NH+]1CC[C@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@H]2CC[N@@H+](CC)C2)C1 ZINC000494800177 1076003055 /nfs/dbraw/zinc/00/30/55/1076003055.db2.gz NBNZJFUHNOIQEO-RTBURBONSA-N 2 0 417.598 1.406 20 0 HDADRP Cc1cn(C)c(CC(=O)N[C@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495127389 1076004786 /nfs/dbraw/zinc/00/47/86/1076004786.db2.gz JCAVXVRMMLHNHH-DLBZAZTESA-N 2 0 413.566 1.195 20 0 HDADRP CC(=O)c1ccc(N2CCN(C(=O)C[NH+]3CCC(C[NH+](C)C)CC3)CC2)c(F)c1 ZINC000727931118 1076288402 /nfs/dbraw/zinc/28/84/02/1076288402.db2.gz ITLRTRIOMQGCRQ-UHFFFAOYSA-N 2 0 404.530 1.951 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950530 1076700515 /nfs/dbraw/zinc/70/05/15/1076700515.db2.gz PQRYMRGBKSANDU-WOJBJXKFSA-N 2 0 417.623 1.832 20 0 HDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]21 ZINC001164839441 720518941 /nfs/dbraw/zinc/51/89/41/720518941.db2.gz ULGRAAGIQVJHDN-UFYCRDLUSA-N 2 0 410.570 1.461 20 0 HDADRP c1ncn(C[C@H]2C[C@H]3CN(c4nccc(C5CC[NH2+]CC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749295 720839955 /nfs/dbraw/zinc/83/99/55/720839955.db2.gz VPQYXQALGZDJBO-TUNNFDKTSA-N 2 0 422.581 1.915 20 0 HDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164743611 720841260 /nfs/dbraw/zinc/84/12/60/720841260.db2.gz JPZIRZIMSNKOEH-BVSLBCMMSA-N 2 0 422.581 1.462 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164865723 721113123 /nfs/dbraw/zinc/11/31/23/721113123.db2.gz OVMRUPYADWKQLL-UXHICEINSA-N 2 0 409.538 1.279 20 0 HDADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)CC1 ZINC001164870253 721125233 /nfs/dbraw/zinc/12/52/33/721125233.db2.gz CBAGYZKATDCCDO-NHCUHLMSSA-N 2 0 408.550 1.884 20 0 HDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ccc(C[NH+](C)C4CC4)cn3)CC2)C1 ZINC001164877171 721286502 /nfs/dbraw/zinc/28/65/02/721286502.db2.gz LZHVRQWTAYFASY-UHFFFAOYSA-N 2 0 415.582 1.683 20 0 HDADRP Cn1cc(N2C[C@@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)CC2=O)cn1 ZINC001164888779 721373263 /nfs/dbraw/zinc/37/32/63/721373263.db2.gz WSKNGMFFTGKMOW-QFIPXVFZSA-N 2 0 410.522 1.922 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891885 721390682 /nfs/dbraw/zinc/39/06/82/721390682.db2.gz RDGMGZPKJVDBAZ-KKSFZXQISA-N 2 0 420.989 1.541 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)C3)O2)CC1 ZINC001164894414 721426911 /nfs/dbraw/zinc/42/69/11/721426911.db2.gz MKFQOSTUDJOQLS-GMAHTHKFSA-N 2 0 414.598 1.257 20 0 HDADRP Cc1cnc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)nc1C1C[NH2+]C1 ZINC001164890982 721453433 /nfs/dbraw/zinc/45/34/33/721453433.db2.gz TXJTYCRSCOIXEQ-KNQAVFIVSA-N 2 0 400.571 1.237 20 0 HDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164788605 721459413 /nfs/dbraw/zinc/45/94/13/721459413.db2.gz UROALDVSLSABSK-LJQANCHMSA-N 2 0 401.555 1.814 20 0 HDADRP C[NH+]1CCN(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)CC1 ZINC001164899658 721513465 /nfs/dbraw/zinc/51/34/65/721513465.db2.gz LMCPBFMXANOGRX-ICSRJNTNSA-N 2 0 412.513 1.709 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164904686 721543779 /nfs/dbraw/zinc/54/37/79/721543779.db2.gz FZFJUAFDAJMPOQ-UYAOXDASSA-N 2 0 412.513 1.885 20 0 HDADRP Cc1ccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957947 722025477 /nfs/dbraw/zinc/02/54/77/722025477.db2.gz CGIZGSVLWDCDHJ-XXBNENTESA-N 2 0 423.565 1.981 20 0 HDADRP Cc1ccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164963462 722025534 /nfs/dbraw/zinc/02/55/34/722025534.db2.gz UMKOIYLYNXUSNV-XMSQKQJNSA-N 2 0 424.553 1.376 20 0 HDADRP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777942 1073734266 /nfs/dbraw/zinc/73/42/66/1073734266.db2.gz QGZSXZTYRSLDBV-IRLDBZIGSA-N 2 0 417.598 1.603 20 0 HDADRP Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000673958857 1073938516 /nfs/dbraw/zinc/93/85/16/1073938516.db2.gz YGEGPBKMKVFRDR-NRFANRHFSA-N 2 0 414.579 1.731 20 0 HDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187829 1073995580 /nfs/dbraw/zinc/99/55/80/1073995580.db2.gz YHBTWQLUMXLJJZ-MOPGFXCFSA-N 2 0 422.520 1.847 20 0 HDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)NCCC[NH+](C)C)ccc2C)C1 ZINC000543579236 1074162974 /nfs/dbraw/zinc/16/29/74/1074162974.db2.gz CMDVEFOFCYMSBJ-SFHVURJKSA-N 2 0 424.611 1.687 20 0 HDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000674332573 1074286674 /nfs/dbraw/zinc/28/66/74/1074286674.db2.gz TZOWFVLNKKJJMP-UHFFFAOYSA-N 2 0 416.570 1.540 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000675086236 1074701759 /nfs/dbraw/zinc/70/17/59/1074701759.db2.gz UTFBTGAGZYMLAG-GHTZIAJQSA-N 2 0 420.598 1.467 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000675086878 1074701826 /nfs/dbraw/zinc/70/18/26/1074701826.db2.gz WXEVPXPDSXKLFS-UXHICEINSA-N 2 0 408.587 1.466 20 0 HDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000675198851 1074755630 /nfs/dbraw/zinc/75/56/30/1074755630.db2.gz ZGRHTYQVUBTCJC-IBGZPJMESA-N 2 0 409.619 1.986 20 0 HDADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)[NH+]2CCCCC2)cc1 ZINC000670527674 1075152484 /nfs/dbraw/zinc/15/24/84/1075152484.db2.gz WBRROWLNDZZMAA-ICSRJNTNSA-N 2 0 402.539 1.549 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511683 1075191172 /nfs/dbraw/zinc/19/11/72/1075191172.db2.gz RIVYULWIYGOPLQ-IPMKNSEASA-N 2 0 414.550 1.675 20 0 HDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427020389 1075198969 /nfs/dbraw/zinc/19/89/69/1075198969.db2.gz BLDAYUYFQQUFMM-UHFFFAOYSA-N 2 0 404.559 1.669 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000439218066 1075229681 /nfs/dbraw/zinc/22/96/81/1075229681.db2.gz UCWKDYXWKJBYLV-AWEZNQCLSA-N 2 0 410.588 1.649 20 0 HDADRP C[C@H]1CN(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@@H+](C2CCC2)C1 ZINC000429372760 1075259678 /nfs/dbraw/zinc/25/96/78/1075259678.db2.gz OHPAPBJHEOHYGT-FQEVSTJZSA-N 2 0 406.615 1.944 20 0 HDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000543644277 1075264838 /nfs/dbraw/zinc/26/48/38/1075264838.db2.gz IFNXMBRWLXKHMQ-BGYRXZFFSA-N 2 0 409.619 1.545 20 0 HDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047877 1075340152 /nfs/dbraw/zinc/34/01/52/1075340152.db2.gz VPLDKZHSBQFUSD-SESVDKBCSA-N 2 0 407.603 1.222 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000676092137 1075353201 /nfs/dbraw/zinc/35/32/01/1075353201.db2.gz YRESXKAUXONUOU-UHFFFAOYSA-N 2 0 416.501 1.303 20 0 HDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094556 1075356153 /nfs/dbraw/zinc/35/61/53/1075356153.db2.gz JRFIPQFFKBSDIQ-LJQANCHMSA-N 2 0 418.501 1.887 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)cn1 ZINC000676095947 1075357490 /nfs/dbraw/zinc/35/74/90/1075357490.db2.gz XXAACKJGHXSTMM-LJQANCHMSA-N 2 0 404.559 1.544 20 0 HDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000676096448 1075359119 /nfs/dbraw/zinc/35/91/19/1075359119.db2.gz LMSOHIHRGAMUJO-QFBILLFUSA-N 2 0 414.510 1.459 20 0 HDADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676098841 1075363120 /nfs/dbraw/zinc/36/31/20/1075363120.db2.gz XIGZCCSQGODXRR-UHFFFAOYSA-N 2 0 400.483 1.165 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cn1 ZINC000676092951 1075377163 /nfs/dbraw/zinc/37/71/63/1075377163.db2.gz NPAJOCZWSCODJC-UHFFFAOYSA-N 2 0 404.559 1.498 20 0 HDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000543679873 1075608648 /nfs/dbraw/zinc/60/86/48/1075608648.db2.gz JVHJZKLMMGCMBL-IBGZPJMESA-N 3 0 402.587 1.965 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307096 1075694669 /nfs/dbraw/zinc/69/46/69/1075694669.db2.gz CFRLSFQULZZTFA-ICSRJNTNSA-N 2 0 416.566 1.923 20 0 HDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000466709566 1075714542 /nfs/dbraw/zinc/71/45/42/1075714542.db2.gz DWAXOMJIOMMXAM-SJLPKXTDSA-N 2 0 404.474 1.985 20 0 HDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000446893780 1075723712 /nfs/dbraw/zinc/72/37/12/1075723712.db2.gz ILTJPSVIPDLKNU-UHFFFAOYSA-N 2 0 410.453 1.935 20 0 HDADRP Nc1nccc([C@H]2CCCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2)n1 ZINC000558738111 1075726441 /nfs/dbraw/zinc/72/64/41/1075726441.db2.gz MPSMWKMDALBGKP-SFHVURJKSA-N 2 0 416.570 1.390 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000472777780 1075779773 /nfs/dbraw/zinc/77/97/73/1075779773.db2.gz UGPAXHDFTYGFMI-LJQANCHMSA-N 2 0 424.549 1.727 20 0 HDADRP CC[NH+]1CCC[C@@H]1CNC(=O)c1c(C)cn(C)c1CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000493266790 1075990696 /nfs/dbraw/zinc/99/06/96/1075990696.db2.gz ZRUYNWCHVMNCCG-RBUKOAKNSA-N 2 0 417.598 1.691 20 0 HDADRP C[NH+]1CC[C@H]2CCN(C(=O)c3ccc(C(=O)N4CC[C@H]5CC[N@@H+](C)C[C@@H]54)o3)[C@@H]2C1 ZINC000493468376 1075991581 /nfs/dbraw/zinc/99/15/81/1075991581.db2.gz WFORHTDPXAVEEW-FZDBZEDMSA-N 2 0 400.523 1.612 20 0 HDADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000730272498 1076516817 /nfs/dbraw/zinc/51/68/17/1076516817.db2.gz RGVAXHLHGKEOHE-QZTJIDSGSA-N 2 0 422.570 1.787 20 0 HDADRP CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164422084 718895795 /nfs/dbraw/zinc/89/57/95/718895795.db2.gz SQVOIDXISRGDTP-MCFFVMPBSA-N 2 0 401.555 1.808 20 0 HDADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164689869 719753221 /nfs/dbraw/zinc/75/32/21/719753221.db2.gz MTIFGFJWELBKOX-UHFFFAOYSA-N 3 0 401.555 1.735 20 0 HDADRP Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(N(C)C)[nH+]1 ZINC001164711933 720170028 /nfs/dbraw/zinc/17/00/28/720170028.db2.gz DUZMLTUJVSMKSQ-KRWDZBQOSA-N 2 0 400.531 1.196 20 0 HDADRP CC[N@@H+]1CCCC[C@H]1c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1 ZINC001164816750 720249517 /nfs/dbraw/zinc/24/95/17/720249517.db2.gz MATQZFODDYDELG-SFHVURJKSA-N 2 0 410.522 1.890 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164862882 720885647 /nfs/dbraw/zinc/88/56/47/720885647.db2.gz RRWXTGSOTMFDMF-RTBURBONSA-N 2 0 405.543 1.029 20 0 HDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)C1 ZINC001164872839 721281761 /nfs/dbraw/zinc/28/17/61/721281761.db2.gz GCSLQBNQNFAWGV-UHFFFAOYSA-N 2 0 421.973 1.388 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896635 721426379 /nfs/dbraw/zinc/42/63/79/721426379.db2.gz RQCGJOXIBUFNDK-NZQKXSOJSA-N 2 0 415.582 1.684 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@@H]12 ZINC001164806632 721537562 /nfs/dbraw/zinc/53/75/62/721537562.db2.gz PJPCWZWIAOUFLZ-WOIUINJBSA-N 2 0 409.538 1.149 20 0 HDADRP COCCN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@H]2C1=O ZINC001164920236 721844852 /nfs/dbraw/zinc/84/48/52/721844852.db2.gz HCGWNJGMOZISGP-WOJBJXKFSA-N 2 0 418.538 1.255 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)nn2)CC1 ZINC001164959494 722050947 /nfs/dbraw/zinc/05/09/47/722050947.db2.gz LFEALLFUXFABJH-SVMVAKDDSA-N 2 0 409.538 1.529 20 0 HDADRP Clc1nc2c(c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)CC[NH2+]C2 ZINC001164984762 722104848 /nfs/dbraw/zinc/10/48/48/722104848.db2.gz UWYFRSXLZVDEJG-APWZRJJASA-N 2 0 414.941 1.898 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980526 722129028 /nfs/dbraw/zinc/12/90/28/722129028.db2.gz RRCOPFNWPJSVFY-FGZHOGPDSA-N 2 0 422.577 1.956 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3C2)c1 ZINC001164976027 722133983 /nfs/dbraw/zinc/13/39/83/722133983.db2.gz GKTXNGYALYDKGI-UNMCSNQZSA-N 2 0 408.550 1.614 20 0 HDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000673650326 1073549707 /nfs/dbraw/zinc/54/97/07/1073549707.db2.gz NEOLJYDNXCCDHR-JOCHJYFZSA-N 2 0 400.567 1.912 20 0 HDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000429095331 1073561788 /nfs/dbraw/zinc/56/17/88/1073561788.db2.gz GKFYLOGPXABPMV-FQEVSTJZSA-N 2 0 401.555 1.794 20 0 HDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593227 1074053777 /nfs/dbraw/zinc/05/37/77/1074053777.db2.gz NMRPRPNBBAFXDH-LKUPVBHCSA-N 2 0 413.566 1.666 20 0 HDADRP Cc1c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000674132539 1074188389 /nfs/dbraw/zinc/18/83/89/1074188389.db2.gz WQKJDCMCOSQSKG-SFHVURJKSA-N 2 0 424.549 1.358 20 0 HDADRP CN1CC[NH+](CC2CCN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)CC2)CC1 ZINC000140856624 1074293193 /nfs/dbraw/zinc/29/31/93/1074293193.db2.gz ZYAVXPAJFBTTGM-UHFFFAOYSA-N 2 0 414.598 1.930 20 0 HDADRP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670481525 1074534755 /nfs/dbraw/zinc/53/47/55/1074534755.db2.gz MMXJHDTZWHTPPH-SFHVURJKSA-N 2 0 407.603 1.039 20 0 HDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000674882515 1074601042 /nfs/dbraw/zinc/60/10/42/1074601042.db2.gz OSUZSLJOWSGITC-QHCPKHFHSA-N 2 0 415.626 1.715 20 0 HDADRP CN1CCN(C(=O)c2cc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)ccn2)CC1 ZINC000543614894 1074751864 /nfs/dbraw/zinc/75/18/64/1074751864.db2.gz MHIWPURNVQNGRQ-UHFFFAOYSA-N 2 0 402.543 1.855 20 0 HDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427102997 1075097114 /nfs/dbraw/zinc/09/71/14/1075097114.db2.gz INLDTLCYLOTVFI-SFHVURJKSA-N 2 0 404.559 1.859 20 0 HDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427132952 1075199688 /nfs/dbraw/zinc/19/96/88/1075199688.db2.gz IYHHVXZWJNAOCP-UHFFFAOYSA-N 2 0 406.575 1.915 20 0 HDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047872 1075339815 /nfs/dbraw/zinc/33/98/15/1075339815.db2.gz VPLDKZHSBQFUSD-CEWLAPEOSA-N 2 0 407.603 1.222 20 0 HDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000676093917 1075353555 /nfs/dbraw/zinc/35/35/55/1075353555.db2.gz BMPXLFPDDUNIOD-UHFFFAOYSA-N 2 0 422.489 1.505 20 0 HDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676093428 1075354279 /nfs/dbraw/zinc/35/42/79/1075354279.db2.gz JLBNBTSVLRMQJF-UHFFFAOYSA-N 2 0 422.480 1.252 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000676094896 1075355588 /nfs/dbraw/zinc/35/55/88/1075355588.db2.gz WRUMDRJKCWLFTQ-GOSISDBHSA-N 2 0 404.559 1.498 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000676098730 1075363387 /nfs/dbraw/zinc/36/33/87/1075363387.db2.gz VMNQDQQUIONLNJ-UHFFFAOYSA-N 2 0 412.494 1.167 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000466740767 1075669005 /nfs/dbraw/zinc/66/90/05/1075669005.db2.gz HAAJJGPTRWOSIF-UHFFFAOYSA-N 2 0 420.554 1.387 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCCCC[NH+]3CCN(C)CC3)cc2)CC1 ZINC000732416110 1075739651 /nfs/dbraw/zinc/73/96/51/1075739651.db2.gz CZBWWGJYNBQZFD-UHFFFAOYSA-N 2 0 402.587 1.978 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)n2)CC1 ZINC000437091254 1075779762 /nfs/dbraw/zinc/77/97/62/1075779762.db2.gz CBRMPKRDEKXBRW-LJQANCHMSA-N 2 0 416.570 2.002 20 0 HDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000487990575 1075805687 /nfs/dbraw/zinc/80/56/87/1075805687.db2.gz CBXMXEYOMMHHOH-KCZVDYSFSA-N 2 0 424.630 1.161 20 0 HDADRP C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000766181669 1075808548 /nfs/dbraw/zinc/80/85/48/1075808548.db2.gz DEVNWEJJBNWGGQ-KXBFYZLASA-N 2 0 409.556 1.034 20 0 HDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427133332 1075814057 /nfs/dbraw/zinc/81/40/57/1075814057.db2.gz NDPBMROKCZPAEW-ROUUACIJSA-N 2 0 418.586 1.963 20 0 HDADRP C[C@@H]1NC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)=NN(c2ccccc2)C1=O ZINC000733155307 1075989252 /nfs/dbraw/zinc/98/92/52/1075989252.db2.gz ASIJSESDOLNKET-KRWDZBQOSA-N 2 0 402.543 1.057 20 0 HDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385929 1076009002 /nfs/dbraw/zinc/00/90/02/1076009002.db2.gz QKZHWHYHKYFSGX-SJLPKXTDSA-N 2 0 407.559 1.951 20 0 HDADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001164807949 720075103 /nfs/dbraw/zinc/07/51/03/720075103.db2.gz GPXUTTRLPBWPAM-DENIHFKCSA-N 2 0 400.571 1.413 20 0 HDADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)[nH+]cc21 ZINC001164854884 720871814 /nfs/dbraw/zinc/87/18/14/720871814.db2.gz GGBAHTHHCHWQIA-BEFAXECRSA-N 2 0 402.495 1.913 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164865722 721114763 /nfs/dbraw/zinc/11/47/63/721114763.db2.gz OVMRUPYADWKQLL-PMACEKPBSA-N 2 0 409.538 1.279 20 0 HDADRP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)CC1 ZINC001164870252 721126508 /nfs/dbraw/zinc/12/65/08/721126508.db2.gz CBAGYZKATDCCDO-LEWJYISDSA-N 2 0 408.550 1.884 20 0 HDADRP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nccc(C5CC[NH2+]CC5)n4)C3)O2)CC1 ZINC001164895419 721425237 /nfs/dbraw/zinc/42/52/37/721425237.db2.gz OUTJPEAWYMMTPY-REWPJTCUSA-N 2 0 414.598 1.709 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)c2)CC1 ZINC001164884871 721459510 /nfs/dbraw/zinc/45/95/10/721459510.db2.gz BMJYKQWJSWZICX-SLFFLAALSA-N 2 0 400.523 1.817 20 0 HDADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001165011489 721746118 /nfs/dbraw/zinc/74/61/18/721746118.db2.gz XVNIOOOVSYBDNU-UHFFFAOYSA-N 2 0 402.543 1.130 20 0 HDADRP CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)C1 ZINC001164953311 722010879 /nfs/dbraw/zinc/01/08/79/722010879.db2.gz DXLSNXKZLPDJSM-VGSWGCGISA-N 2 0 417.554 1.954 20 0 HDADRP Cc1ccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957485 722025323 /nfs/dbraw/zinc/02/53/23/722025323.db2.gz CGIZGSVLWDCDHJ-AUSIDOKSSA-N 2 0 423.565 1.981 20 0 HDADRP Cc1ccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164963459 722025463 /nfs/dbraw/zinc/02/54/63/722025463.db2.gz UMKOIYLYNXUSNV-AVRDEDQJSA-N 2 0 424.553 1.376 20 0 HDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671415098 1073570611 /nfs/dbraw/zinc/57/06/11/1073570611.db2.gz IYFXILYACKWXRH-QUCCMNQESA-N 2 0 407.518 1.682 20 0 HDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671415097 1073570866 /nfs/dbraw/zinc/57/08/66/1073570866.db2.gz IYFXILYACKWXRH-ICSRJNTNSA-N 2 0 407.518 1.682 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000673872518 1073837443 /nfs/dbraw/zinc/83/74/43/1073837443.db2.gz ZBMREMWKNSSUSY-UHFFFAOYSA-N 2 0 413.570 1.726 20 0 HDADRP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000673930883 1073903521 /nfs/dbraw/zinc/90/35/21/1073903521.db2.gz MRVOKJFEAMKTOK-PGRDOPGGSA-N 2 0 400.523 1.971 20 0 HDADRP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000673930884 1073903544 /nfs/dbraw/zinc/90/35/44/1073903544.db2.gz MRVOKJFEAMKTOK-XMSQKQJNSA-N 2 0 400.523 1.971 20 0 HDADRP COc1cccc(COC[C@H](O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000543522532 1073992676 /nfs/dbraw/zinc/99/26/76/1073992676.db2.gz MJXSRMNDBZCLTM-OAQYLSRUSA-N 2 0 405.583 1.922 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCc1cn2c(n1)SCC2 ZINC000466583588 1074024036 /nfs/dbraw/zinc/02/40/36/1074024036.db2.gz HMJITZHAYYHPMA-UHFFFAOYSA-N 2 0 415.567 1.438 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cn1 ZINC000674317182 1074265603 /nfs/dbraw/zinc/26/56/03/1074265603.db2.gz ITLBWHSZIOMRPI-UHFFFAOYSA-N 2 0 407.563 1.193 20 0 HDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cnc2c3ccccc3oc2c1=O ZINC000674323566 1074273361 /nfs/dbraw/zinc/27/33/61/1074273361.db2.gz DXWNBTPKFXXTEQ-UHFFFAOYSA-N 2 0 413.522 1.875 20 0 HDADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)n1nnnc1C(C)(C)C ZINC000543615263 1074737681 /nfs/dbraw/zinc/73/76/81/1074737681.db2.gz VERYGNNHNNCEJK-INIZCTEOSA-N 2 0 400.531 1.255 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000477053710 1074755509 /nfs/dbraw/zinc/75/55/09/1074755509.db2.gz ASEGGHDSPIYZEI-QGZVFWFLSA-N 2 0 404.555 1.106 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000477103205 1074801306 /nfs/dbraw/zinc/80/13/06/1074801306.db2.gz UYDWTBRPZBTUDH-ICSRJNTNSA-N 2 0 404.555 1.240 20 0 HDADRP CC[C@@H]1[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2occc2C[NH+](C)C)C3)CC[N@@H+]1C ZINC001005592717 1074817496 /nfs/dbraw/zinc/81/74/96/1074817496.db2.gz POIPOCPVXYUKQE-ZRSRNVLSSA-N 2 0 402.539 1.933 20 0 HDADRP CN(C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675577135 1075210070 /nfs/dbraw/zinc/21/00/70/1075210070.db2.gz XDWVVQPGINOLOW-FCHUYYIVSA-N 2 0 415.582 1.309 20 0 HDADRP Cc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(OCC[NH+](C)C)c1 ZINC000675606991 1075223846 /nfs/dbraw/zinc/22/38/46/1075223846.db2.gz AAOCTIYQEMNTTH-UHFFFAOYSA-N 2 0 402.499 1.271 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000435022264 1075229418 /nfs/dbraw/zinc/22/94/18/1075229418.db2.gz WMZBEUXPEDEERK-KRWDZBQOSA-N 2 0 419.570 2.319 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000445012206 1075229769 /nfs/dbraw/zinc/22/97/69/1075229769.db2.gz OOMKLBVKVUVGAK-AWEZNQCLSA-N 2 0 406.560 2.116 20 0 HDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)Cc2ccccc2C1 ZINC000676096956 1075358282 /nfs/dbraw/zinc/35/82/82/1075358282.db2.gz JAIQMWBLZQAPLI-UHFFFAOYSA-N 2 0 404.474 1.421 20 0 HDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000676099761 1075364942 /nfs/dbraw/zinc/36/49/42/1075364942.db2.gz WOIPDRIYAVFJGO-PKOBYXMFSA-N 2 0 412.538 1.553 20 0 HDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000676088982 1075370540 /nfs/dbraw/zinc/37/05/40/1075370540.db2.gz UDMNEADTQCYIOV-UHFFFAOYSA-N 2 0 404.474 1.987 20 0 HDADRP CCc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000676089237 1075373286 /nfs/dbraw/zinc/37/32/86/1075373286.db2.gz GUAHAMHFRBHHGG-IBGZPJMESA-N 2 0 400.527 1.365 20 0 HDADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138969 1075406441 /nfs/dbraw/zinc/40/64/41/1075406441.db2.gz ICZUEIZZCSXGDK-RTWAWAEBSA-N 2 0 417.598 1.195 20 0 HDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000676624619 1075629485 /nfs/dbraw/zinc/62/94/85/1075629485.db2.gz FNARQMCEARFELR-VAMGGRTRSA-N 2 0 401.555 1.304 20 0 HDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000466709565 1075812290 /nfs/dbraw/zinc/81/22/90/1075812290.db2.gz DWAXOMJIOMMXAM-FUHWJXTLSA-N 2 0 404.474 1.985 20 0 HDADRP CC(C)[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@H](C(C)C)C3)n2)CC[NH+]1C ZINC000489367048 1075883050 /nfs/dbraw/zinc/88/30/50/1075883050.db2.gz KHRKLWHVNSFYGP-SFTDATJTSA-N 2 0 415.582 1.906 20 0 HDADRP CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000733157280 1075990806 /nfs/dbraw/zinc/99/08/06/1075990806.db2.gz YHJIERZNLUQXKE-UHFFFAOYSA-N 2 0 418.991 1.594 20 0 HDADRP CC[NH+]1CC[C@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000494800176 1076003212 /nfs/dbraw/zinc/00/32/12/1076003212.db2.gz NBNZJFUHNOIQEO-RBUKOAKNSA-N 2 0 417.598 1.406 20 0 HDADRP CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@H]3CC[N@@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528424 1076236612 /nfs/dbraw/zinc/23/66/12/1076236612.db2.gz QXQXTTUTAYTSRO-ZWKOTPCHSA-N 2 0 400.575 1.831 20 0 HDADRP C[NH+]1CCN(c2ccc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)nn2)CC1 ZINC001164690364 719758071 /nfs/dbraw/zinc/75/80/71/719758071.db2.gz AZZITTFOBFINNK-HRAATJIYSA-N 2 0 413.501 1.422 20 0 HDADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819442 720173313 /nfs/dbraw/zinc/17/33/13/720173313.db2.gz XCHBQPZBQYAYGY-GCJKJVERSA-N 2 0 401.555 1.792 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)nc3c2C[NH2+]CC3)CC1 ZINC001164819488 720289350 /nfs/dbraw/zinc/28/93/50/720289350.db2.gz QXOMBABMJKLEER-QZTJIDSGSA-N 2 0 418.973 1.687 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]2C1 ZINC001164860161 720869692 /nfs/dbraw/zinc/86/96/92/720869692.db2.gz VQRKLQMJAFQMMA-WOJBJXKFSA-N 2 0 404.555 1.730 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164853360 720886569 /nfs/dbraw/zinc/88/65/69/720886569.db2.gz CAXGAOAQBBGTDE-WIYYLYMNSA-N 3 0 404.555 1.728 20 0 HDADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)[C@H]2C ZINC001164859676 720980705 /nfs/dbraw/zinc/98/07/05/720980705.db2.gz LCZVIIAFWMERNF-KRWDZBQOSA-N 2 0 411.554 1.745 20 0 HDADRP CN(C)C(=O)NC[C@H]1OC[C@H]2CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]21 ZINC001164758959 721000605 /nfs/dbraw/zinc/00/06/05/721000605.db2.gz XRUOFWGCZYLYLJ-NSISKUIASA-N 2 0 417.554 1.667 20 0 HDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164865344 721110147 /nfs/dbraw/zinc/11/01/47/721110147.db2.gz KFGJXYFALPEHEK-VQTJNVASSA-N 2 0 422.533 1.002 20 0 HDADRP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164880271 721149479 /nfs/dbraw/zinc/14/94/79/721149479.db2.gz VQMOHOPTEHQVKD-AZUAARDMSA-N 2 0 410.522 1.482 20 0 HDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)C1 ZINC001164872122 721278709 /nfs/dbraw/zinc/27/87/09/721278709.db2.gz AKUIOFKDUMWRBP-UHFFFAOYSA-N 2 0 401.555 1.689 20 0 HDADRP Cn1cc(N2C[C@]3(CCN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)C3)CC2=O)cn1 ZINC001164888774 721373284 /nfs/dbraw/zinc/37/32/84/721373284.db2.gz WSKNGMFFTGKMOW-JOCHJYFZSA-N 2 0 410.522 1.922 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)c2)CC1 ZINC001164898960 721484651 /nfs/dbraw/zinc/48/46/51/721484651.db2.gz XNXQDCIPIKRRPN-MBSDFSHPSA-N 2 0 414.550 1.924 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)nn2)[C@@H]2CCCO[C@H]12 ZINC001164806630 721536459 /nfs/dbraw/zinc/53/64/59/721536459.db2.gz PJPCWZWIAOUFLZ-KNKQGSTJSA-N 2 0 409.538 1.149 20 0 HDADRP CS(=O)(=O)c1nc2c(c(N3CCCC[C@@H]3CC[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC001165048275 721965026 /nfs/dbraw/zinc/96/50/26/721965026.db2.gz YBTLXZCYXLFHNN-MRXNPFEDSA-N 2 0 407.584 1.413 20 0 HDADRP Cc1ccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164957545 722025526 /nfs/dbraw/zinc/02/55/26/722025526.db2.gz CGIZGSVLWDCDHJ-CVDCTZTESA-N 2 0 423.565 1.981 20 0 HDADRP Clc1nc2c(c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n1)C[NH2+]CC2 ZINC001164985998 722100222 /nfs/dbraw/zinc/10/02/22/722100222.db2.gz XQWRGKLQOHOBMZ-LPHOPBHVSA-N 2 0 414.941 1.898 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3C2)c1 ZINC001164976025 722134074 /nfs/dbraw/zinc/13/40/74/722134074.db2.gz GKTXNGYALYDKGI-RBBKRZOGSA-N 2 0 408.550 1.614 20 0 HDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000673637209 1073463916 /nfs/dbraw/zinc/46/39/16/1073463916.db2.gz JZSMKNYNEPEDHZ-HSZRJFAPSA-N 2 0 410.518 1.554 20 0 HDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000673637598 1073466054 /nfs/dbraw/zinc/46/60/54/1073466054.db2.gz NUNNWHLJPVVIPX-UHFFFAOYSA-N 2 0 423.561 1.978 20 0 HDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429049281 1073469040 /nfs/dbraw/zinc/46/90/40/1073469040.db2.gz UMUKNXZUYGINAD-VXKWHMMOSA-N 2 0 416.566 1.641 20 0 HDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[N@H+](C[C@H]4CCCO4)CC3)c2)CC1 ZINC000673650313 1073544078 /nfs/dbraw/zinc/54/40/78/1073544078.db2.gz MOXNAVAVXGCIGX-JOCHJYFZSA-N 2 0 400.567 1.761 20 0 HDADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000673775318 1073708218 /nfs/dbraw/zinc/70/82/18/1073708218.db2.gz BILLPMLCTFOEBQ-CTNGQTDRSA-N 2 0 415.582 1.880 20 0 HDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1ccc(Cl)cc1 ZINC000673778014 1073734243 /nfs/dbraw/zinc/73/42/43/1073734243.db2.gz SAEAULNVCGXVAR-VQTJNVASSA-N 2 0 423.989 1.648 20 0 HDADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861258 1073829633 /nfs/dbraw/zinc/82/96/33/1073829633.db2.gz QNPWCMCWGOLUED-UHFFFAOYSA-N 2 0 421.509 1.781 20 0 HDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187838 1073995536 /nfs/dbraw/zinc/99/55/36/1073995536.db2.gz YHBTWQLUMXLJJZ-RTBURBONSA-N 2 0 422.520 1.847 20 0 HDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000466593229 1074053819 /nfs/dbraw/zinc/05/38/19/1074053819.db2.gz NMRPRPNBBAFXDH-PBEJRMEISA-N 2 0 413.566 1.666 20 0 HDADRP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000674321631 1074271358 /nfs/dbraw/zinc/27/13/58/1074271358.db2.gz YSBQOZCYKOFYIP-UHFFFAOYSA-N 2 0 402.539 1.490 20 0 HDADRP COC1CC[NH+](CCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000674328132 1074276856 /nfs/dbraw/zinc/27/68/56/1074276856.db2.gz MGIPWHWJOCWHSJ-NRFANRHFSA-N 2 0 403.571 1.385 20 0 HDADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000674329942 1074279050 /nfs/dbraw/zinc/27/90/50/1074279050.db2.gz VGROLBGSNMXBOF-NRFANRHFSA-N 2 0 409.619 1.450 20 0 HDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC3(C[NH+]4CCOCC4)CCCCC3)CC2)C1 ZINC000674403701 1074315305 /nfs/dbraw/zinc/31/53/05/1074315305.db2.gz IHJDYXVYGZAEMQ-OAQYLSRUSA-N 2 0 421.630 1.691 20 0 HDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000674404444 1074315351 /nfs/dbraw/zinc/31/53/51/1074315351.db2.gz PGXRURSFFKGGEV-PMACEKPBSA-N 2 0 408.587 1.510 20 0 HDADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)n2)C[NH+]1C1CC1 ZINC000674710076 1074537202 /nfs/dbraw/zinc/53/72/02/1074537202.db2.gz WPRUHKRTRMWEMT-ZYGGUILKSA-N 2 0 411.550 1.792 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000477006174 1074684607 /nfs/dbraw/zinc/68/46/07/1074684607.db2.gz KYTRIOMJAINZMS-GOSISDBHSA-N 2 0 403.571 1.993 20 0 HDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000675103080 1074719702 /nfs/dbraw/zinc/71/97/02/1074719702.db2.gz IFGIBCKYMQAVKQ-BAGYTPMASA-N 2 0 415.582 1.355 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000477091021 1074791455 /nfs/dbraw/zinc/79/14/55/1074791455.db2.gz AXTLRMIJQNYOGW-FHWLQOOXSA-N 2 0 418.582 1.759 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000477094782 1074791767 /nfs/dbraw/zinc/79/17/67/1074791767.db2.gz FLBSSPLJPVQRNP-LJQANCHMSA-N 2 0 423.646 1.488 20 0 HDADRP CN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000670502891 1074816570 /nfs/dbraw/zinc/81/65/70/1074816570.db2.gz RGGFUTMIJDRIBK-NHCUHLMSSA-N 2 0 415.582 1.032 20 0 HDADRP CS[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000804083721 1075354007 /nfs/dbraw/zinc/35/40/07/1075354007.db2.gz FABGUMBTQBISND-FUHWJXTLSA-N 2 0 405.568 1.110 20 0 HDADRP CCN(CCc1ccccn1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804084407 1075367663 /nfs/dbraw/zinc/36/76/63/1075367663.db2.gz VUYNKDBUYRXYFW-UHFFFAOYSA-N 2 0 424.549 1.196 20 0 HDADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138970 1075406414 /nfs/dbraw/zinc/40/64/14/1075406414.db2.gz ICZUEIZZCSXGDK-SFTDATJTSA-N 2 0 417.598 1.195 20 0 HDADRP C[NH+]1CCN(C(C)(C)CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138968 1075406523 /nfs/dbraw/zinc/40/65/23/1075406523.db2.gz ICZUEIZZCSXGDK-NHCUHLMSSA-N 2 0 417.598 1.195 20 0 HDADRP C[C@H](CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000429437379 1075558961 /nfs/dbraw/zinc/55/89/61/1075558961.db2.gz ZKIIKOOPNGFWQT-NJYVYQBISA-N 2 0 423.646 1.791 20 0 HDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000429464254 1075678567 /nfs/dbraw/zinc/67/85/67/1075678567.db2.gz DPTVLQHXOXBPEP-RTBURBONSA-N 2 0 415.582 1.609 20 0 HDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000429464252 1075678621 /nfs/dbraw/zinc/67/86/21/1075678621.db2.gz DPTVLQHXOXBPEP-OALUTQOASA-N 2 0 415.582 1.609 20 0 HDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000732246127 1075679828 /nfs/dbraw/zinc/67/98/28/1075679828.db2.gz NKWPDRZEVUYMBQ-PZJWPPBQSA-N 2 0 402.539 1.824 20 0 HDADRP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+](C)Cc1ccccc1 ZINC000426928747 1075755574 /nfs/dbraw/zinc/75/55/74/1075755574.db2.gz KHKYFOJUMISGMY-QGZVFWFLSA-N 2 0 412.538 1.725 20 0 HDADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671746603 1075774637 /nfs/dbraw/zinc/77/46/37/1075774637.db2.gz JHSOMESHCZUZJU-UHFFFAOYSA-N 2 0 408.612 1.596 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)n2)CC1 ZINC000427109983 1075780716 /nfs/dbraw/zinc/78/07/16/1075780716.db2.gz JSTWUHAHXDYECZ-HXUWFJFHSA-N 2 0 424.549 2.042 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000491331232 1075784866 /nfs/dbraw/zinc/78/48/66/1075784866.db2.gz CLAWPAAXLDTVID-QFIPXVFZSA-N 2 0 412.538 1.908 20 0 HDADRP CC[NH+]1CC[C@@H](CNC(=O)c2c(C)cn(C)c2CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000494800175 1076003280 /nfs/dbraw/zinc/00/32/80/1076003280.db2.gz NBNZJFUHNOIQEO-OALUTQOASA-N 2 0 417.598 1.406 20 0 HDADRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000730272497 1076516877 /nfs/dbraw/zinc/51/68/77/1076516877.db2.gz RGVAXHLHGKEOHE-MSOLQXFVSA-N 2 0 422.570 1.787 20 0 HDADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000730916544 1076690242 /nfs/dbraw/zinc/69/02/42/1076690242.db2.gz BHNAYFCYMWAONT-IBGZPJMESA-N 2 0 413.566 1.854 20 0 HDADRP NC(=O)COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC000731040776 1076716744 /nfs/dbraw/zinc/71/67/44/1076716744.db2.gz AKVXIVQHSFVRBW-FQEVSTJZSA-N 2 0 410.518 1.538 20 0 HDADRP CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164686744 719735124 /nfs/dbraw/zinc/73/51/24/719735124.db2.gz QXDHDDLTKATYRA-UHFFFAOYSA-N 2 0 401.555 1.737 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001164833849 720330248 /nfs/dbraw/zinc/33/02/48/720330248.db2.gz XRANOZCJLFQHBK-NHCUHLMSSA-N 2 0 412.582 1.855 20 0 HDADRP CC(C)[N@H+]1[C@@H]2CCN(c3ccc(N4CC[NH2+]CC4)nn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839440 720518456 /nfs/dbraw/zinc/51/84/56/720518456.db2.gz ULGRAAGIQVJHDN-SLFFLAALSA-N 2 0 410.570 1.461 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@@H]43)c2)CC1 ZINC001164848207 720804446 /nfs/dbraw/zinc/80/44/46/720804446.db2.gz PECDNVRTSRPBIZ-UFYCRDLUSA-N 2 0 400.523 1.675 20 0 HDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743614 720841082 /nfs/dbraw/zinc/84/10/82/720841082.db2.gz JPZIRZIMSNKOEH-ILWGZMRPSA-N 2 0 422.581 1.462 20 0 HDADRP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)[C@@H]2C ZINC001164859677 720979920 /nfs/dbraw/zinc/97/99/20/720979920.db2.gz LCZVIIAFWMERNF-QGZVFWFLSA-N 2 0 411.554 1.745 20 0 HDADRP Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC001164766633 721038967 /nfs/dbraw/zinc/03/89/67/721038967.db2.gz RJNHOCBOUQPNQP-WOJBJXKFSA-N 2 0 410.522 1.782 20 0 HDADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC001164766625 721039402 /nfs/dbraw/zinc/03/94/02/721039402.db2.gz RJNHOCBOUQPNQP-UXHICEINSA-N 2 0 410.522 1.782 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164869556 721045633 /nfs/dbraw/zinc/04/56/33/721045633.db2.gz UHSLBNFXGUUNRA-HOTGVXAUSA-N 2 0 400.914 1.650 20 0 HDADRP Clc1nc2c(c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164865852 721057942 /nfs/dbraw/zinc/05/79/42/721057942.db2.gz APAGUGFJMNNBPW-HOTGVXAUSA-N 2 0 400.914 1.650 20 0 HDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CC[NH2+]CC1 ZINC001164865345 721110675 /nfs/dbraw/zinc/11/06/75/721110675.db2.gz KFGJXYFALPEHEK-WOJBJXKFSA-N 2 0 422.533 1.002 20 0 HDADRP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(OC5CC[NH2+]CC5)nn4)CC[N@@H+]3C2)c1 ZINC001164880277 721148610 /nfs/dbraw/zinc/14/86/10/721148610.db2.gz VQMOHOPTEHQVKD-QUCCMNQESA-N 2 0 410.522 1.482 20 0 HDADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164762847 721228975 /nfs/dbraw/zinc/22/89/75/721228975.db2.gz LLCATDZFSUATQK-VQTJNVASSA-N 2 0 411.554 1.547 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)CC1 ZINC001164904684 721544733 /nfs/dbraw/zinc/54/47/33/721544733.db2.gz FZFJUAFDAJMPOQ-QUCCMNQESA-N 2 0 412.513 1.885 20 0 HDADRP [NH3+]C1CCN(c2ccnc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978056 722130783 /nfs/dbraw/zinc/13/07/83/722130783.db2.gz JKLVGYDNZKTHPH-PZJWPPBQSA-N 2 0 423.565 1.526 20 0 HDADRP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000673775323 1073708471 /nfs/dbraw/zinc/70/84/71/1073708471.db2.gz BILLPMLCTFOEBQ-TZIWHRDSSA-N 2 0 415.582 1.880 20 0 HDADRP C[C@@H](CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)Cc1ccccc1 ZINC000673777944 1073734073 /nfs/dbraw/zinc/73/40/73/1073734073.db2.gz QGZSXZTYRSLDBV-UNMCSNQZSA-N 2 0 417.598 1.603 20 0 HDADRP CSc1nnc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000429154124 1073805969 /nfs/dbraw/zinc/80/59/69/1073805969.db2.gz FRKWGMNLLOUKEH-UHFFFAOYSA-N 2 0 407.569 1.667 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000673869925 1073835521 /nfs/dbraw/zinc/83/55/21/1073835521.db2.gz GMVYILIDYALPAT-UHFFFAOYSA-N 3 0 400.531 1.174 20 0 HDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)CC1 ZINC000673865825 1073844467 /nfs/dbraw/zinc/84/44/67/1073844467.db2.gz QAXRYKXWOBRYDB-UHFFFAOYSA-N 2 0 413.570 1.904 20 0 HDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896204 1073866448 /nfs/dbraw/zinc/86/64/48/1073866448.db2.gz RAPLRSPLHRJRIZ-UHFFFAOYSA-N 2 0 402.583 1.418 20 0 HDADRP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000543522719 1073992208 /nfs/dbraw/zinc/99/22/08/1073992208.db2.gz PBUVXEXFPFADKH-UHFFFAOYSA-N 2 0 408.612 1.786 20 0 HDADRP COC1CC[NH+](CCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000674328134 1074276989 /nfs/dbraw/zinc/27/69/89/1074276989.db2.gz MGIPWHWJOCWHSJ-OAQYLSRUSA-N 2 0 403.571 1.385 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ncn(Cc2ccccc2)n1 ZINC000588252789 1074725680 /nfs/dbraw/zinc/72/56/80/1074725680.db2.gz XKPUGDIJAYNIRG-UHFFFAOYSA-N 2 0 420.521 2.055 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000477092943 1074791383 /nfs/dbraw/zinc/79/13/83/1074791383.db2.gz DDBTZSLMZBTSFX-IAGOWNOFSA-N 2 0 421.561 1.601 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000477092951 1074791842 /nfs/dbraw/zinc/79/18/42/1074791842.db2.gz DDBTZSLMZBTSFX-SJORKVTESA-N 2 0 421.561 1.601 20 0 HDADRP COc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[NH+]2CCCC2)cc1 ZINC000670510576 1075094165 /nfs/dbraw/zinc/09/41/65/1075094165.db2.gz QAVHIMZDBSOICW-UWJYYQICSA-N 2 0 416.566 1.795 20 0 HDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000675918428 1075291529 /nfs/dbraw/zinc/29/15/29/1075291529.db2.gz HYPSCJNVTAOVRA-UHFFFAOYSA-N 2 0 400.976 1.605 20 0 HDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047876 1075340274 /nfs/dbraw/zinc/34/02/74/1075340274.db2.gz VPLDKZHSBQFUSD-JBACZVJFSA-N 2 0 407.603 1.222 20 0 HDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2S(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000676075733 1075343364 /nfs/dbraw/zinc/34/33/64/1075343364.db2.gz PFBLRQJAZQNPCM-OTWHNJEPSA-N 2 0 404.621 1.374 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cn1 ZINC000676094378 1075356249 /nfs/dbraw/zinc/35/62/49/1075356249.db2.gz VMOKRCOXXNHMBG-HXUWFJFHSA-N 2 0 412.538 1.727 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000676088554 1075371099 /nfs/dbraw/zinc/37/10/99/1075371099.db2.gz BDSRGOPLONOLCG-UHFFFAOYSA-N 2 0 412.538 1.686 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000676089201 1075373250 /nfs/dbraw/zinc/37/32/50/1075373250.db2.gz HZIXIVCHEZNPRE-UHFFFAOYSA-N 2 0 412.538 1.336 20 0 HDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC000676093006 1075376970 /nfs/dbraw/zinc/37/69/70/1075376970.db2.gz BESNAZRSGFIQBO-SFHVURJKSA-N 2 0 404.559 1.354 20 0 HDADRP COc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1Br ZINC000444076319 1075524493 /nfs/dbraw/zinc/52/44/93/1075524493.db2.gz RDHCYYGUDXLHGX-UHFFFAOYSA-N 2 0 407.316 2.267 20 0 HDADRP CCOC(=O)N1CCC(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000731853468 1075534789 /nfs/dbraw/zinc/53/47/89/1075534789.db2.gz FMGFLZSEQAXOGU-KRWDZBQOSA-N 2 0 418.604 1.285 20 0 HDADRP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000511719900 1075732874 /nfs/dbraw/zinc/73/28/74/1075732874.db2.gz BNNFVDOWVLGMEK-XLIONFOSSA-N 2 0 424.549 1.868 20 0 HDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000487990580 1075805835 /nfs/dbraw/zinc/80/58/35/1075805835.db2.gz CBXMXEYOMMHHOH-VWPQPMDRSA-N 2 0 424.630 1.161 20 0 HDADRP Cc1cn(C)c(CC(=O)N(C)C2CC[NH+](C)CC2)c1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000490445587 1075965283 /nfs/dbraw/zinc/96/52/83/1075965283.db2.gz NWGXEQAOHMBDNV-UHFFFAOYSA-N 2 0 417.598 1.595 20 0 HDADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495373711 1076009010 /nfs/dbraw/zinc/00/90/10/1076009010.db2.gz HNSZSEGOEPHUDP-GHTZIAJQSA-N 2 0 415.582 1.891 20 0 HDADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)C1 ZINC000733668895 1076150553 /nfs/dbraw/zinc/15/05/53/1076150553.db2.gz GORPUSICBDWRRQ-MRXNPFEDSA-N 2 0 419.545 1.705 20 0 HDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)c1 ZINC000733890351 1076251865 /nfs/dbraw/zinc/25/18/65/1076251865.db2.gz CGCSSFPCQJBTKV-GOSISDBHSA-N 2 0 402.539 1.186 20 0 HDADRP CNC(=O)CO[C@@H]1COC2(C1)CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164677671 719554910 /nfs/dbraw/zinc/55/49/10/719554910.db2.gz QYZIOLSHYLBSMD-IBGZPJMESA-N 2 0 418.538 1.445 20 0 HDADRP c1csc(C[N@@H+]2CCOC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)c1 ZINC001164698244 719893392 /nfs/dbraw/zinc/89/33/92/719893392.db2.gz QEYGSIOBOHVEOE-UHFFFAOYSA-N 2 0 414.579 1.819 20 0 HDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(N3CC[NH2+]CC3)cn1)CCC2 ZINC001164813930 720230793 /nfs/dbraw/zinc/23/07/93/720230793.db2.gz RVFBWNSCXTWNJC-UHFFFAOYSA-N 2 0 411.554 1.298 20 0 HDADRP O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CC[NH2+]CC1 ZINC001164865342 721110775 /nfs/dbraw/zinc/11/07/75/721110775.db2.gz KFGJXYFALPEHEK-PMACEKPBSA-N 2 0 422.533 1.002 20 0 HDADRP C[NH+]1CCN(c2cccc(N(C[C@@H]3OC[C@@H]4CC[NH2+]C[C@@H]43)c3ncccn3)n2)CC1 ZINC001164790539 721484203 /nfs/dbraw/zinc/48/42/03/721484203.db2.gz FSMFVRSWXZLILR-FHWLQOOXSA-N 2 0 409.538 1.386 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)c2)CC1 ZINC001164898961 721484460 /nfs/dbraw/zinc/48/44/60/721484460.db2.gz XNXQDCIPIKRRPN-WZONZLPQSA-N 2 0 414.550 1.924 20 0 HDADRP COCCN1CCO[C@@H]2CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC[C@@H]2C1=O ZINC001164920235 721844758 /nfs/dbraw/zinc/84/47/58/721844758.db2.gz HCGWNJGMOZISGP-VQTJNVASSA-N 2 0 418.538 1.255 20 0 HDADRP Cc1ccc(N(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164963460 722025280 /nfs/dbraw/zinc/02/52/80/722025280.db2.gz UMKOIYLYNXUSNV-GCJKJVERSA-N 2 0 424.553 1.376 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@@H]3C2)c1 ZINC001164977259 722105735 /nfs/dbraw/zinc/10/57/35/722105735.db2.gz FLUQSCKJUNPYKE-UXHICEINSA-N 2 0 409.538 1.009 20 0 HDADRP C[NH+](C)CCOCc1ncn2c1CN(c1cccc(N3CC[NH+](C)CC3)n1)CCC2 ZINC001165001915 722254882 /nfs/dbraw/zinc/25/48/82/722254882.db2.gz JCSCSVZDXZQPMK-UHFFFAOYSA-N 2 0 413.570 1.518 20 0 HDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCOc1ncccc1F ZINC000429079305 1073519614 /nfs/dbraw/zinc/51/96/14/1073519614.db2.gz IMHMFCZNRKTGFZ-UHFFFAOYSA-N 2 0 402.474 1.506 20 0 HDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673670606 1073625495 /nfs/dbraw/zinc/62/54/95/1073625495.db2.gz ZWSSSDJYTZCJJK-HSZRJFAPSA-N 2 0 413.610 1.826 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000429148624 1073785754 /nfs/dbraw/zinc/78/57/54/1073785754.db2.gz DEVGVKOLNAJLHT-IBGZPJMESA-N 2 0 403.575 1.503 20 0 HDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CC(N)=O)C3CCOCC3)CC2)cc1 ZINC000543492963 1073822362 /nfs/dbraw/zinc/82/23/62/1073822362.db2.gz DHFJBHHDAJMIET-NRFANRHFSA-N 2 0 416.566 1.290 20 0 HDADRP C[NH+](C)CC1(NC(=O)Cc2ccc(CC(=O)NC3(C[NH+](C)C)CCC3)cc2)CCC1 ZINC000466591141 1074043123 /nfs/dbraw/zinc/04/31/23/1074043123.db2.gz YPLGPKGJIZRJOR-UHFFFAOYSA-N 2 0 414.594 1.973 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000674327979 1074276968 /nfs/dbraw/zinc/27/69/68/1074276968.db2.gz FJEHFHYRMDCUJM-JOCHJYFZSA-N 2 0 417.598 1.775 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000674329384 1074285787 /nfs/dbraw/zinc/28/57/87/1074285787.db2.gz XUAZIHZTBSZRJH-UHFFFAOYSA-N 2 0 403.571 1.344 20 0 HDADRP COC1CC[NH+](CCNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000674331165 1074285802 /nfs/dbraw/zinc/28/58/02/1074285802.db2.gz XIGIBMMKPXLVQH-UHFFFAOYSA-N 2 0 411.591 1.023 20 0 HDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000674411562 1074313187 /nfs/dbraw/zinc/31/31/87/1074313187.db2.gz DSWNUWQTTLAKMC-FQEVSTJZSA-N 2 0 401.555 1.129 20 0 HDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674630402 1074493706 /nfs/dbraw/zinc/49/37/06/1074493706.db2.gz BTEHYVITSGVPIX-SFHVURJKSA-N 2 0 409.600 1.228 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000675086239 1074701939 /nfs/dbraw/zinc/70/19/39/1074701939.db2.gz UTFBTGAGZYMLAG-NQIIRXRSSA-N 2 0 420.598 1.467 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000477057486 1074763298 /nfs/dbraw/zinc/76/32/98/1074763298.db2.gz NQKLTNWZDBADSG-QGZVFWFLSA-N 2 0 404.555 1.106 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000477091023 1074791421 /nfs/dbraw/zinc/79/14/21/1074791421.db2.gz AXTLRMIJQNYOGW-IPMKNSEASA-N 2 0 418.582 1.759 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477101280 1074798936 /nfs/dbraw/zinc/79/89/36/1074798936.db2.gz QDIKEFYTWKXXCL-FHWLQOOXSA-N 2 0 410.603 1.571 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H](C[NH+](C)C)Oc3ccccc32)CC1=O ZINC000675511684 1075191180 /nfs/dbraw/zinc/19/11/80/1075191180.db2.gz RIVYULWIYGOPLQ-OTWHNJEPSA-N 2 0 414.550 1.675 20 0 HDADRP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000675736468 1075261254 /nfs/dbraw/zinc/26/12/54/1075261254.db2.gz TZBJGDQKVZRIGX-HOTGVXAUSA-N 2 0 417.597 1.002 20 0 HDADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000675787017 1075271850 /nfs/dbraw/zinc/27/18/50/1075271850.db2.gz QLNWRPFZSYULJE-QZTJIDSGSA-N 2 0 400.523 1.708 20 0 HDADRP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000675934633 1075296322 /nfs/dbraw/zinc/29/63/22/1075296322.db2.gz QVZYQFGIYZFPMA-XLIONFOSSA-N 2 0 402.539 1.898 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cn1 ZINC000676093752 1075353986 /nfs/dbraw/zinc/35/39/86/1075353986.db2.gz OIQCNVGMRMNGCZ-UHFFFAOYSA-N 2 0 418.567 1.473 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000676093073 1075354804 /nfs/dbraw/zinc/35/48/04/1075354804.db2.gz RZSQCOZDTBXADK-IBGZPJMESA-N 2 0 412.538 1.412 20 0 HDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676098908 1075362939 /nfs/dbraw/zinc/36/29/39/1075362939.db2.gz HFOPOCJUVRVALO-XLIONFOSSA-N 2 0 412.538 1.410 20 0 HDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000676099759 1075364938 /nfs/dbraw/zinc/36/49/38/1075364938.db2.gz WOIPDRIYAVFJGO-MJGOQNOKSA-N 2 0 412.538 1.553 20 0 HDADRP COc1cccc([C@@H](CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)[NH+](C)C)c1 ZINC000676090567 1075374480 /nfs/dbraw/zinc/37/44/80/1075374480.db2.gz ZIJZINVLLXKYMC-LJQANCHMSA-N 2 0 408.462 1.634 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000509384854 1075375090 /nfs/dbraw/zinc/37/50/90/1075375090.db2.gz HTRLYKQFBKZXBC-SFHVURJKSA-N 2 0 405.543 1.612 20 0 HDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676190906 1075420619 /nfs/dbraw/zinc/42/06/19/1075420619.db2.gz CDLOFGRMFGSLIX-GIWBLDEGSA-N 2 0 401.551 1.508 20 0 HDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676344751 1075518269 /nfs/dbraw/zinc/51/82/69/1075518269.db2.gz SHOTWGNDXWKEIN-JOCHJYFZSA-N 2 0 400.567 1.958 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000509418842 1075575602 /nfs/dbraw/zinc/57/56/02/1075575602.db2.gz SWEAPUILJVGXMO-UHFFFAOYSA-N 2 0 403.571 1.704 20 0 HDADRP CN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446872210 1075585556 /nfs/dbraw/zinc/58/55/56/1075585556.db2.gz KGQFYASWDUWNLN-LJQANCHMSA-N 2 0 404.474 1.939 20 0 HDADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000466736163 1075594216 /nfs/dbraw/zinc/59/42/16/1075594216.db2.gz UDPHBHWWUWCQJN-QGZVFWFLSA-N 2 0 403.523 1.466 20 0 HDADRP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000732229680 1075684351 /nfs/dbraw/zinc/68/43/51/1075684351.db2.gz YEVVOGUJUZJBLQ-CVEARBPZSA-N 2 0 418.991 1.531 20 0 HDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)n2)CC1 ZINC000491281245 1075784783 /nfs/dbraw/zinc/78/47/83/1075784783.db2.gz DUOJCYYCCCOFTQ-VQTJNVASSA-N 2 0 412.538 1.907 20 0 HDADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1CCC(C)CC1 ZINC000427120422 1075866568 /nfs/dbraw/zinc/86/65/68/1075866568.db2.gz BZYOZHUBGASQPU-LJQANCHMSA-N 2 0 418.586 1.961 20 0 HDADRP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000611181257 1075867962 /nfs/dbraw/zinc/86/79/62/1075867962.db2.gz XJQCWHDWEKHLST-WOJBJXKFSA-N 2 0 422.614 1.667 20 0 HDADRP CS[C@@H]1CN(C(=O)c2nnn(-c3cccc4c3CC[N@H+](C)C4)c2C)C[C@H]1[NH+](C)C ZINC000611217177 1075878226 /nfs/dbraw/zinc/87/82/26/1075878226.db2.gz VFJKOZZFLXJUGO-RTBURBONSA-N 2 0 414.579 1.681 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126390 1075978873 /nfs/dbraw/zinc/97/88/73/1075978873.db2.gz YAYKDSSOYNZHAQ-NQIIRXRSSA-N 2 0 413.566 1.710 20 0 HDADRP Cc1cn(C)c(CC(=O)N2CC[NH+](C(C)C)CC2)c1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000494207576 1075999100 /nfs/dbraw/zinc/99/91/00/1075999100.db2.gz FHKKKJTVWAMKDF-UHFFFAOYSA-N 2 0 417.598 1.595 20 0 HDADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000495373712 1076009093 /nfs/dbraw/zinc/00/90/93/1076009093.db2.gz HNSZSEGOEPHUDP-NQIIRXRSSA-N 2 0 415.582 1.891 20 0 HDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)[NH+](C)C ZINC000727612621 1076182821 /nfs/dbraw/zinc/18/28/21/1076182821.db2.gz OPIMMIXPRRBNBO-KRWDZBQOSA-N 2 0 417.554 1.896 20 0 HDADRP CC(C)[NH+]1CC[C@@H](CN=c2cc(NC[C@@H]3CC[N@@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528423 1076236565 /nfs/dbraw/zinc/23/65/65/1076236565.db2.gz QXQXTTUTAYTSRO-ROUUACIJSA-N 2 0 400.575 1.831 20 0 HDADRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1=O ZINC000730272499 1076516901 /nfs/dbraw/zinc/51/69/01/1076516901.db2.gz RGVAXHLHGKEOHE-ROUUACIJSA-N 2 0 422.570 1.787 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000730921393 1076693851 /nfs/dbraw/zinc/69/38/51/1076693851.db2.gz SLGURBUUFXWIAY-NRFANRHFSA-N 2 0 413.566 1.854 20 0 HDADRP C[NH+]1CCC(NC(=S)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000730949324 1076700007 /nfs/dbraw/zinc/70/00/07/1076700007.db2.gz COOQTTMYAWPURV-SFHVURJKSA-N 2 0 403.596 1.442 20 0 HDADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001164819444 720172922 /nfs/dbraw/zinc/17/29/22/720172922.db2.gz XCHBQPZBQYAYGY-PGRDOPGGSA-N 2 0 401.555 1.792 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+][nH]c(Cl)c3ncnc2-3)CC1 ZINC001164823330 720326672 /nfs/dbraw/zinc/32/66/72/720326672.db2.gz AOWYVOAGAPRLIA-KGLIPLIRSA-N 2 0 403.918 1.918 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@@H]43)c2)CC1 ZINC001164847297 720822772 /nfs/dbraw/zinc/82/27/72/720822772.db2.gz ITRDNOMJLGDBGT-SLFFLAALSA-N 2 0 416.522 1.845 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@H]2C1 ZINC001164860157 720869825 /nfs/dbraw/zinc/86/98/25/720869825.db2.gz VQRKLQMJAFQMMA-PMACEKPBSA-N 2 0 404.555 1.730 20 0 HDADRP COCC[N@@H+]1CCO[C@H]2CN(c3cccc(OCC[NH+]4CCCC4)n3)CC[C@@H]2C1 ZINC001164860158 720869918 /nfs/dbraw/zinc/86/99/18/720869918.db2.gz VQRKLQMJAFQMMA-UXHICEINSA-N 2 0 404.555 1.730 20 0 HDADRP Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC001164766622 721039457 /nfs/dbraw/zinc/03/94/57/721039457.db2.gz RJNHOCBOUQPNQP-PMACEKPBSA-N 2 0 410.522 1.782 20 0 HDADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891884 721390287 /nfs/dbraw/zinc/39/02/87/721390287.db2.gz RDGMGZPKJVDBAZ-IIBYNOLFSA-N 2 0 420.989 1.541 20 0 HDADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164800352 721569735 /nfs/dbraw/zinc/56/97/35/721569735.db2.gz FCUZZHMQENITQL-XJUOHMSHSA-N 2 0 408.550 1.754 20 0 HDADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[C@H]3C2)c1 ZINC001164977258 722105578 /nfs/dbraw/zinc/10/55/78/722105578.db2.gz FLUQSCKJUNPYKE-PMACEKPBSA-N 2 0 409.538 1.009 20 0 HDADRP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164980525 722129190 /nfs/dbraw/zinc/12/91/90/722129190.db2.gz RRCOPFNWPJSVFY-FCHUYYIVSA-N 2 0 422.577 1.956 20 0 HDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000429049279 1073469237 /nfs/dbraw/zinc/46/92/37/1073469237.db2.gz UMUKNXZUYGINAD-FCHUYYIVSA-N 2 0 416.566 1.641 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000429148625 1073785896 /nfs/dbraw/zinc/78/58/96/1073785896.db2.gz DEVGVKOLNAJLHT-LJQANCHMSA-N 2 0 403.575 1.503 20 0 HDADRP CC(C)(CO)[NH+]1CCN(Cc2cccc(CN3CC[NH+](C(C)(C)CO)CC3)c2)CC1 ZINC000673895635 1073865949 /nfs/dbraw/zinc/86/59/49/1073865949.db2.gz KOXDHVUMWCCAHE-UHFFFAOYSA-N 2 0 418.626 1.464 20 0 HDADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCC2(F)F)C1 ZINC000509187836 1073995478 /nfs/dbraw/zinc/99/54/78/1073995478.db2.gz YHBTWQLUMXLJJZ-RBUKOAKNSA-N 2 0 422.520 1.847 20 0 HDADRP CN(C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675577138 1075210047 /nfs/dbraw/zinc/21/00/47/1075210047.db2.gz XDWVVQPGINOLOW-YADHBBJMSA-N 2 0 415.582 1.309 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000509359867 1075250306 /nfs/dbraw/zinc/25/03/06/1075250306.db2.gz TWBUTHVNGHXTEW-IBGZPJMESA-N 2 0 407.534 1.624 20 0 HDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000509364873 1075263953 /nfs/dbraw/zinc/26/39/53/1075263953.db2.gz IAJQBSVQCRISAX-FQEVSTJZSA-N 2 0 419.570 1.494 20 0 HDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1 ZINC000676022525 1075327095 /nfs/dbraw/zinc/32/70/95/1075327095.db2.gz HQSXMSHKFKBOJC-IBGZPJMESA-N 2 0 415.925 1.803 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000676094740 1075355548 /nfs/dbraw/zinc/35/55/48/1075355548.db2.gz OYZQJIXPQNVZMK-LJQANCHMSA-N 2 0 412.538 1.064 20 0 HDADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676094700 1075355597 /nfs/dbraw/zinc/35/55/97/1075355597.db2.gz ZOVIRFRJDVKIFZ-UHFFFAOYSA-N 2 0 408.462 1.463 20 0 HDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000676096539 1075359585 /nfs/dbraw/zinc/35/95/85/1075359585.db2.gz ZMALJXOVQBGKIB-MRXNPFEDSA-N 2 0 400.527 1.629 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000676128853 1075388782 /nfs/dbraw/zinc/38/87/82/1075388782.db2.gz FPIOQARTKGUCPP-QUCCMNQESA-N 2 0 400.527 1.449 20 0 HDADRP CC[C@H](C)n1nc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000439218682 1075488719 /nfs/dbraw/zinc/48/87/19/1075488719.db2.gz WQEWJTHIGDYACV-FUHWJXTLSA-N 2 0 406.575 1.976 20 0 HDADRP Cc1nc(NCC2([NH+](C)C)CCOCC2)cc(NCC2([NH+](C)C)CCOCC2)n1 ZINC000576445121 1075524247 /nfs/dbraw/zinc/52/42/47/1075524247.db2.gz QIFAPNNXSLNYIL-UHFFFAOYSA-N 2 0 406.575 1.830 20 0 HDADRP CN(C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446872209 1075585577 /nfs/dbraw/zinc/58/55/77/1075585577.db2.gz KGQFYASWDUWNLN-IBGZPJMESA-N 2 0 404.474 1.939 20 0 HDADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)CC1 ZINC000543680568 1075610991 /nfs/dbraw/zinc/61/09/91/1075610991.db2.gz SBMDFDMQMXYONK-UHFFFAOYSA-N 2 0 421.630 1.691 20 0 HDADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000676719504 1075655050 /nfs/dbraw/zinc/65/50/50/1075655050.db2.gz HECUVPFJUQDYRR-HXUWFJFHSA-N 2 0 400.567 1.956 20 0 HDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000732246125 1075679786 /nfs/dbraw/zinc/67/97/86/1075679786.db2.gz NKWPDRZEVUYMBQ-CTNGQTDRSA-N 2 0 402.539 1.824 20 0 HDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427017965 1075721705 /nfs/dbraw/zinc/72/17/05/1075721705.db2.gz WAXNJXWHOSOLSD-CALCHBBNSA-N 2 0 418.586 1.961 20 0 HDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000429474508 1075736164 /nfs/dbraw/zinc/73/61/64/1075736164.db2.gz UFNBRAVTVUHQTG-SFHVURJKSA-N 2 0 401.555 1.016 20 0 HDADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000438752518 1075777287 /nfs/dbraw/zinc/77/72/87/1075777287.db2.gz LDGQWBFLXINIRH-UHFFFAOYSA-N 2 0 418.501 2.329 20 0 HDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000733126388 1075978813 /nfs/dbraw/zinc/97/88/13/1075978813.db2.gz YAYKDSSOYNZHAQ-GHTZIAJQSA-N 2 0 413.566 1.710 20 0 HDADRP C[C@@H](NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000495367289 1076006643 /nfs/dbraw/zinc/00/66/43/1076006643.db2.gz BBNHJDPGJLCIHX-DYESRHJHSA-N 2 0 403.571 1.920 20 0 HDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccco1 ZINC000495385928 1076009109 /nfs/dbraw/zinc/00/91/09/1076009109.db2.gz QKZHWHYHKYFSGX-FUHWJXTLSA-N 2 0 407.559 1.951 20 0 HDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)[NH+](C)C ZINC000727612625 1076182866 /nfs/dbraw/zinc/18/28/66/1076182866.db2.gz OPIMMIXPRRBNBO-QGZVFWFLSA-N 2 0 417.554 1.896 20 0 HDADRP O=C(c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000531948608 1076238039 /nfs/dbraw/zinc/23/80/39/1076238039.db2.gz FOKQKYIGLFSYCC-HDICACEKSA-N 2 0 400.523 1.900 20 0 HDADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc(C3CC[NH2+]CC3)n1)CCC2 ZINC001164814498 720230187 /nfs/dbraw/zinc/23/01/87/720230187.db2.gz VVCJRGGBHCHSMB-UHFFFAOYSA-N 2 0 411.554 1.751 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001164825447 720330740 /nfs/dbraw/zinc/33/07/40/720330740.db2.gz FEJKQLIXUAHDNY-RTWAWAEBSA-N 2 0 412.582 1.403 20 0 HDADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cccc(N3CCOCC3)[nH+]2)CC1 ZINC001164823238 720330809 /nfs/dbraw/zinc/33/08/09/720330809.db2.gz ABAJKZPGNLEMKB-WOJBJXKFSA-N 2 0 413.566 1.830 20 0 HDADRP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739624 720663486 /nfs/dbraw/zinc/66/34/86/720663486.db2.gz OHGYRCVMOBFEPT-JKSUJKDBSA-N 2 0 415.929 1.729 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164854804 720846515 /nfs/dbraw/zinc/84/65/15/720846515.db2.gz SNMJATFDJDRUHZ-SJLPKXTDSA-N 2 0 409.962 1.771 20 0 HDADRP COCC[N@@H+]1CCO[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164862881 720885515 /nfs/dbraw/zinc/88/55/15/720885515.db2.gz RRWXTGSOTMFDMF-RBUKOAKNSA-N 2 0 405.543 1.029 20 0 HDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164785757 721463140 /nfs/dbraw/zinc/46/31/40/721463140.db2.gz NIGCNFRWCGHRAM-FQEVSTJZSA-N 2 0 415.582 1.856 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)c2)CC1 ZINC001164802861 721596740 /nfs/dbraw/zinc/59/67/40/721596740.db2.gz VZZFHYNKOVBTGL-AABGKKOBSA-N 2 0 416.522 1.150 20 0 HDADRP C[NH+]1CCN(c2cccc(N(Cc3ncn4c3C[NH2+]CCC4)c3ncccn3)n2)CC1 ZINC001165014616 721766711 /nfs/dbraw/zinc/76/67/11/721766711.db2.gz HMUUUCAXZCLMIO-UHFFFAOYSA-N 2 0 419.537 1.652 20 0 HDADRP C[NH+](C)Cc1ccnc(N(C[C@H]2CCC[C@]3(CC[NH2+]C3)O2)S(=O)(=O)C2CC2)c1 ZINC001164952400 721991276 /nfs/dbraw/zinc/99/12/76/721991276.db2.gz PIUYLWQPYFFZKI-YLJYHZDGSA-N 2 0 408.568 1.743 20 0 HDADRP c1cc(C[N@@H+]2CCOCC3(CCN(c4cncc(N5CC[NH2+]CC5)n4)CC3)C2)ccn1 ZINC001164963999 722056649 /nfs/dbraw/zinc/05/66/49/722056649.db2.gz QPQQICKHTVVJAG-UHFFFAOYSA-N 2 0 423.565 1.400 20 0 HDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4c(Cn5cccn5)nnc4C3)c2)CC1 ZINC001164974135 722089119 /nfs/dbraw/zinc/08/91/19/722089119.db2.gz MNQADYABKNRDDU-UHFFFAOYSA-N 2 0 408.510 1.801 20 0 HDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000501238172 1073765956 /nfs/dbraw/zinc/76/59/56/1073765956.db2.gz RIMFQJQFWIWRAJ-KRWDZBQOSA-N 2 0 417.554 1.249 20 0 HDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896548 1073866646 /nfs/dbraw/zinc/86/66/46/1073866646.db2.gz WLKOFZAMTXRASH-UHFFFAOYSA-N 2 0 402.583 1.464 20 0 HDADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000675086241 1074701740 /nfs/dbraw/zinc/70/17/40/1074701740.db2.gz UTFBTGAGZYMLAG-WIYYLYMNSA-N 2 0 420.598 1.467 20 0 HDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000675198642 1074755806 /nfs/dbraw/zinc/75/58/06/1074755806.db2.gz XGDWYLYENROZSS-HXUWFJFHSA-N 2 0 407.603 1.885 20 0 HDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000477103207 1074801013 /nfs/dbraw/zinc/80/10/13/1074801013.db2.gz UYDWTBRPZBTUDH-QUCCMNQESA-N 2 0 404.555 1.240 20 0 HDADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000675566672 1075217578 /nfs/dbraw/zinc/21/75/78/1075217578.db2.gz PCEBYNLXTRTEBH-SFHVURJKSA-N 2 0 422.595 1.439 20 0 HDADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)o1 ZINC000675787016 1075271883 /nfs/dbraw/zinc/27/18/83/1075271883.db2.gz QLNWRPFZSYULJE-HDICACEKSA-N 2 0 400.523 1.708 20 0 HDADRP c1cc2c(cn1)nc(NCC[NH+]1CCSCC1)cc2NCC[NH+]1CCSCC1 ZINC000573707942 1075322399 /nfs/dbraw/zinc/32/23/99/1075322399.db2.gz NZLONZARWAVFQS-UHFFFAOYSA-N 2 0 418.636 2.551 20 0 HDADRP Cc1c(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000731474379 1075361191 /nfs/dbraw/zinc/36/11/91/1075361191.db2.gz PJGWMWAFEQXDRI-MSOLQXFVSA-N 2 0 410.522 1.157 20 0 HDADRP C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1Cl ZINC000676099899 1075364749 /nfs/dbraw/zinc/36/47/49/1075364749.db2.gz NKXHKVGLWRJXAV-UHFFFAOYSA-N 2 0 422.917 1.616 20 0 HDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000676099757 1075364953 /nfs/dbraw/zinc/36/49/53/1075364953.db2.gz WOIPDRIYAVFJGO-HKUYNNGSSA-N 2 0 412.538 1.553 20 0 HDADRP CC[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000676089862 1075372121 /nfs/dbraw/zinc/37/21/21/1075372121.db2.gz KAYXNDVBELNYQF-HXUWFJFHSA-N 2 0 412.538 1.336 20 0 HDADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000676090534 1075374868 /nfs/dbraw/zinc/37/48/68/1075374868.db2.gz XZJPIGAGIGNZEU-MRXNPFEDSA-N 2 0 404.540 1.398 20 0 HDADRP O=C(N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000676186141 1075425477 /nfs/dbraw/zinc/42/54/77/1075425477.db2.gz GJSKWTUSDJOAGX-GGAORHGYSA-N 2 0 401.551 1.727 20 0 HDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000676624605 1075629525 /nfs/dbraw/zinc/62/95/25/1075629525.db2.gz FNARQMCEARFELR-AABGKKOBSA-N 2 0 401.555 1.304 20 0 HDADRP CN(CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)[C@H]1CC[NH+](C2CC2)C1 ZINC000732188915 1075654511 /nfs/dbraw/zinc/65/45/11/1075654511.db2.gz OKPJMEKBNMIUAP-NZQKXSOJSA-N 2 0 411.550 1.699 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000732307097 1075694719 /nfs/dbraw/zinc/69/47/19/1075694719.db2.gz CFRLSFQULZZTFA-QUCCMNQESA-N 2 0 416.566 1.923 20 0 HDADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000427287671 1075720381 /nfs/dbraw/zinc/72/03/81/1075720381.db2.gz HHASBZLXYQAZMP-UHFFFAOYSA-N 2 0 404.559 1.669 20 0 HDADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000533324803 1075731344 /nfs/dbraw/zinc/73/13/44/1075731344.db2.gz OETPHGPMGSCDMZ-IHWFROFDSA-N 2 0 424.549 1.695 20 0 HDADRP C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cn2)CC1 ZINC000441912962 1075777833 /nfs/dbraw/zinc/77/78/33/1075777833.db2.gz SLVORRYIHLCSEQ-UHFFFAOYSA-N 2 0 421.461 1.713 20 0 HDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[N@@H+]1Cc1ccccc1 ZINC000466709567 1075814767 /nfs/dbraw/zinc/81/47/67/1075814767.db2.gz DWAXOMJIOMMXAM-WMZOPIPTSA-N 2 0 404.474 1.985 20 0 HDADRP CCOC(=O)COc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000611211209 1075874841 /nfs/dbraw/zinc/87/48/41/1075874841.db2.gz UDRWKOYTMMDVGQ-KNQAVFIVSA-N 2 0 419.566 1.965 20 0 HDADRP Cc1cn(C)c(CC(=O)N[C@H]2CC[NH+](C3CC3)C2)c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495127392 1076005733 /nfs/dbraw/zinc/00/57/33/1076005733.db2.gz JCAVXVRMMLHNHH-IRXDYDNUSA-N 2 0 413.566 1.195 20 0 HDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000495344352 1076006705 /nfs/dbraw/zinc/00/67/05/1076006705.db2.gz WQECOBHVUDJMBW-LJQANCHMSA-N 2 0 407.534 1.670 20 0 HDADRP CC(C)[NH+]1CC[C@H](CN=c2cc(NC[C@H]3CC[N@@H+](C(C)C)C3)n3[nH]cnc3n2)C1 ZINC000530528422 1076236480 /nfs/dbraw/zinc/23/64/80/1076236480.db2.gz QXQXTTUTAYTSRO-QZTJIDSGSA-N 2 0 400.575 1.831 20 0 HDADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000728054551 1076321976 /nfs/dbraw/zinc/32/19/76/1076321976.db2.gz JFBDIFJCIRTXBW-UHFFFAOYSA-N 2 0 403.571 1.156 20 0 HDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cccc(C[NH+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950523 1076700482 /nfs/dbraw/zinc/70/04/82/1076700482.db2.gz PQRYMRGBKSANDU-PMACEKPBSA-N 2 0 417.623 1.832 20 0 HDADRP