smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)CC1 ZINC001164617174 719032585 /nfs/dbraw/zinc/03/25/85/719032585.db2.gz IUHKAVBQEJVTDK-UHFFFAOYSA-N 2 0 400.567 2.920 20 0 HFADRP C[NH+](C)Cc1ccnc(N([C@@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)c1 ZINC001164682655 719592668 /nfs/dbraw/zinc/59/26/68/719592668.db2.gz DHNXOLGDDSHUBC-HXUWFJFHSA-N 2 0 414.575 2.871 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840662 720504749 /nfs/dbraw/zinc/50/47/49/720504749.db2.gz XESCOAQDZAFRQD-PCCBWWKXSA-N 2 0 409.582 2.960 20 0 HFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164835656 720589727 /nfs/dbraw/zinc/58/97/27/720589727.db2.gz CEOKGAQNKYNNLS-UWVAXJGDSA-N 2 0 414.985 2.955 20 0 HFADRP Cc1cccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778009 721329503 /nfs/dbraw/zinc/32/95/03/721329503.db2.gz SNYORAPQTGBRCQ-URXFXBBRSA-N 2 0 407.562 2.801 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164807855 721573119 /nfs/dbraw/zinc/57/31/19/721573119.db2.gz TYBNYANGLWEXNT-DWLFOUALSA-N 2 0 413.953 2.644 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165026617 721804333 /nfs/dbraw/zinc/80/43/33/721804333.db2.gz ROLFYEFPJJAWDU-MOXGXCLJSA-N 2 0 412.969 2.908 20 0 HFADRP Cc1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960557 722025822 /nfs/dbraw/zinc/02/58/22/722025822.db2.gz KLRDCEMVLZMURF-REWPJTCUSA-N 2 0 408.550 2.825 20 0 HFADRP COc1c[nH+]ccc1N1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000793086274 1078064896 /nfs/dbraw/zinc/06/48/96/1078064896.db2.gz SRZVBFUJGLHPRG-UHFFFAOYSA-N 2 0 401.555 2.719 20 0 HFADRP C[C@H](CNC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)[NH+]1CCCCC1 ZINC000793713732 1078262129 /nfs/dbraw/zinc/26/21/29/1078262129.db2.gz APXLQLPHPJKRBB-WOJBJXKFSA-N 2 0 414.594 2.757 20 0 HFADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793812075 1078315011 /nfs/dbraw/zinc/31/50/11/1078315011.db2.gz KMDJURQXAICHIG-VXDFMKHQSA-N 2 0 406.615 2.526 20 0 HFADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752625 1076927737 /nfs/dbraw/zinc/92/77/37/1076927737.db2.gz CXNITGANTNSPEU-HSZRJFAPSA-N 2 0 422.573 2.660 20 0 HFADRP CC(C)[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000788518783 1077189359 /nfs/dbraw/zinc/18/93/59/1077189359.db2.gz LJWYHDKIWRTXFX-IFMALSPDSA-N 2 0 402.583 2.902 20 0 HFADRP Cc1cnc2c(N(CC[NH3+])c3ccc4c(c3)COC43C[NH2+]C3)nc3ccc(C)cc3n12 ZINC001170147821 1077282804 /nfs/dbraw/zinc/28/28/04/1077282804.db2.gz HQWRFOIUARLYAV-UHFFFAOYSA-N 2 0 414.513 2.925 20 0 HFADRP CC(C)[NH+]1CCN(CCCOC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940039 1077600878 /nfs/dbraw/zinc/60/08/78/1077600878.db2.gz SYRZBXNAGOMXHB-NRFANRHFSA-N 2 0 405.558 2.997 20 0 HFADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)COC(=O)c3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000792548790 1077899440 /nfs/dbraw/zinc/89/94/40/1077899440.db2.gz DYUQWCQKLYHWBG-UHFFFAOYSA-N 2 0 406.486 2.534 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3sccc3n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170386552 1077957413 /nfs/dbraw/zinc/95/74/13/1077957413.db2.gz DKTYQBWJQQEWEJ-OLOWNEEMSA-N 2 0 422.595 2.570 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccc3sccc32)[C@@H](O)OC(C)(C)C)C1 ZINC001170389932 1077958161 /nfs/dbraw/zinc/95/81/61/1077958161.db2.gz SBAFCHAVLPZSQW-TXDMSJPOSA-N 2 0 422.595 2.570 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccc3sccc32)[C@H](O)OC(C)(C)C)C1 ZINC001170389933 1077958201 /nfs/dbraw/zinc/95/82/01/1077958201.db2.gz SBAFCHAVLPZSQW-UTAYDHNUSA-N 2 0 422.595 2.570 20 0 HFADRP Cc1ccc2[nH]ccc2c1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392991 1077958594 /nfs/dbraw/zinc/95/85/94/1077958594.db2.gz JCOCANCTKOLPNI-CFNFZEJTSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3cc[nH]c32)[C@@H](O)OC(C)(C)C)C1 ZINC001170394644 1077959494 /nfs/dbraw/zinc/95/94/94/1077959494.db2.gz WGNFIEGKKDHZHZ-CCTJXGJQSA-N 2 0 422.545 2.580 20 0 HFADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000806814774 1080027050 /nfs/dbraw/zinc/02/70/50/1080027050.db2.gz VCXUQNXEKBTANW-QIJUGHKUSA-N 2 0 400.567 2.592 20 0 HFADRP COCC[NH+](CCOC)C1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000806929625 1080096672 /nfs/dbraw/zinc/09/66/72/1080096672.db2.gz FIGZIWKKJWMJNZ-UHFFFAOYSA-N 2 0 424.630 2.552 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(O[C@@H]4CCC[NH2+]C4)nn3)c3ccccc23)CC1 ZINC001170525135 1080643778 /nfs/dbraw/zinc/64/37/78/1080643778.db2.gz GXWXWKNPCBQHLD-HXUWFJFHSA-N 3 0 420.561 2.517 20 0 HFADRP COC(OC)c1c(C[NH3+])ccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170526292 1080686882 /nfs/dbraw/zinc/68/68/82/1080686882.db2.gz XIKMASVDYNMQSK-UHFFFAOYSA-N 3 0 423.561 2.741 20 0 HFADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164614683 719009858 /nfs/dbraw/zinc/00/98/58/719009858.db2.gz GECCXHXEYRQFCV-YKSBVNFPSA-N 2 0 412.578 2.827 20 0 HFADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(N)cc[nH+]3)CC2)c2ccccc21 ZINC001164680265 719656544 /nfs/dbraw/zinc/65/65/44/719656544.db2.gz DSTMQKUUKMBLOE-SFHVURJKSA-N 2 0 407.562 2.757 20 0 HFADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cccc(N)[nH+]3)CC2)c2ccccc21 ZINC001164679950 719662506 /nfs/dbraw/zinc/66/25/06/719662506.db2.gz BEERNZZECVWBLD-GOSISDBHSA-N 2 0 407.562 2.757 20 0 HFADRP Cn1cc([C@H]2COC3(C2)CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cn1 ZINC001164697613 719826993 /nfs/dbraw/zinc/82/69/93/719826993.db2.gz PLDBUPCPAKUJJY-GOSISDBHSA-N 2 0 411.550 2.831 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816852 720193406 /nfs/dbraw/zinc/19/34/06/720193406.db2.gz NEVKCWGYEROGFH-YKSBVNFPSA-N 2 0 414.594 2.739 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816849 720193533 /nfs/dbraw/zinc/19/35/33/720193533.db2.gz NEVKCWGYEROGFH-HYBUGGRVSA-N 2 0 414.594 2.739 20 0 HFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835303 720584647 /nfs/dbraw/zinc/58/46/47/720584647.db2.gz BCCWLDOYBGCGRB-BAGYTPMASA-N 3 0 423.609 2.583 20 0 HFADRP c1ncn(C[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749512 720838370 /nfs/dbraw/zinc/83/83/70/720838370.db2.gz WBMRMCKIIWAWMF-CEMLEFRQSA-N 2 0 407.566 2.653 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]21 ZINC001165021368 721799691 /nfs/dbraw/zinc/79/96/91/721799691.db2.gz GNZMRADCHFOSQD-QKYXUNIQSA-N 2 0 412.969 2.908 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[C@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916168 721807569 /nfs/dbraw/zinc/80/75/69/721807569.db2.gz OHOJSTSNLHWBMT-JTHBVZDNSA-N 2 0 410.518 2.766 20 0 HFADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2)cc1 ZINC001164938597 721928693 /nfs/dbraw/zinc/92/86/93/721928693.db2.gz ADVZSZHNZYYMOM-UHFFFAOYSA-N 2 0 421.589 2.671 20 0 HFADRP c1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1 ZINC001164961881 722051120 /nfs/dbraw/zinc/05/11/20/722051120.db2.gz XHBYRBLPXQETRU-REHUZNOOSA-N 2 0 423.561 2.856 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966323 722065525 /nfs/dbraw/zinc/06/55/25/722065525.db2.gz QVAGEIWKLWZGCR-RBUKOAKNSA-N 2 0 413.547 2.505 20 0 HFADRP C[C@@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CCCCC1 ZINC000793720102 1078265006 /nfs/dbraw/zinc/26/50/06/1078265006.db2.gz GBBSTXROZMPHBA-FQEVSTJZSA-N 2 0 414.594 2.669 20 0 HFADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793914563 1078336665 /nfs/dbraw/zinc/33/66/65/1078336665.db2.gz UWLNFUFRHYTOBH-ZCNNSNEGSA-N 2 0 420.642 2.630 20 0 HFADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074993 1078906023 /nfs/dbraw/zinc/90/60/23/1078906023.db2.gz RJPQYTWFRVTBFY-VAMGGRTRSA-N 2 0 408.974 2.885 20 0 HFADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000787480999 1076839227 /nfs/dbraw/zinc/83/92/27/1076839227.db2.gz PCDZGVDVPSWTPW-VXKWHMMOSA-N 2 0 410.562 2.519 20 0 HFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787708211 1076920458 /nfs/dbraw/zinc/92/04/58/1076920458.db2.gz TXOCXZNVJKZLEG-WOJBJXKFSA-N 2 0 420.642 2.632 20 0 HFADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000787895561 1077002647 /nfs/dbraw/zinc/00/26/47/1077002647.db2.gz QNQUFKBFHZLJLZ-UHFFFAOYSA-N 2 0 420.642 2.776 20 0 HFADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000788540528 1077194295 /nfs/dbraw/zinc/19/42/95/1077194295.db2.gz SRSNDEZYDWJRTC-ICSRJNTNSA-N 2 0 417.598 2.959 20 0 HFADRP CCOC(=O)[C@H]1[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613944 1077228101 /nfs/dbraw/zinc/22/81/01/1077228101.db2.gz YQDIWCJQDWDFJO-RTBURBONSA-N 2 0 423.529 2.918 20 0 HFADRP CC[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000789726533 1077762249 /nfs/dbraw/zinc/76/22/49/1077762249.db2.gz JGUIFLNGXTWIHZ-UHFFFAOYSA-N 2 0 402.564 2.691 20 0 HFADRP CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2ccc[n+](C)c2)cc1 ZINC001170271398 1077924604 /nfs/dbraw/zinc/92/46/04/1077924604.db2.gz YJAFVEJDKLQIKD-UHFFFAOYSA-N 2 0 413.498 2.790 20 0 HFADRP CC1=Cc2cccc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2C1 ZINC001170392008 1077958365 /nfs/dbraw/zinc/95/83/65/1077958365.db2.gz OJSVNSZOMLGXBS-TZUGMZLSSA-N 2 0 417.594 2.919 20 0 HFADRP Cc1ccc2[nH]ccc2c1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392994 1077958530 /nfs/dbraw/zinc/95/85/30/1077958530.db2.gz JCOCANCTKOLPNI-LEJHGULMSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CC=C3)[C@@H](O)OC(C)(C)C)C1 ZINC001170394098 1077959003 /nfs/dbraw/zinc/95/90/03/1077959003.db2.gz UGDACMLPNOMOOL-CPNAEOBWSA-N 2 0 403.567 2.529 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CC=C3)[C@@H](O)OC(C)(C)C)C1 ZINC001170394099 1077959047 /nfs/dbraw/zinc/95/90/47/1077959047.db2.gz UGDACMLPNOMOOL-DIMUUIPOSA-N 2 0 403.567 2.529 20 0 HFADRP COc1c[nH+]ccc1N1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000792867327 1078011539 /nfs/dbraw/zinc/01/15/39/1078011539.db2.gz MTPQQGIPPOIKRP-UHFFFAOYSA-N 2 0 415.582 2.967 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3cnc(OC4CCOCC4)cn3)c3ccccc23)CC1 ZINC001170528254 1080791763 /nfs/dbraw/zinc/79/17/63/1080791763.db2.gz IGOHBOSFMARRCW-UHFFFAOYSA-N 2 0 421.545 2.944 20 0 HFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164711110 720099905 /nfs/dbraw/zinc/09/99/05/720099905.db2.gz OKYUOBVBHMYUBS-NRFANRHFSA-N 2 0 407.562 2.630 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916165 721807563 /nfs/dbraw/zinc/80/75/63/721807563.db2.gz OHOJSTSNLHWBMT-GGAORHGYSA-N 2 0 410.518 2.766 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001165024182 721819685 /nfs/dbraw/zinc/81/96/85/721819685.db2.gz JNEFSGYXJSXMEO-AJSBUHFISA-N 2 0 406.578 2.623 20 0 HFADRP Cc1ccc(N(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959855 722025385 /nfs/dbraw/zinc/02/53/85/722025385.db2.gz JCUSKQTXXYINSN-NFBKMPQASA-N 2 0 408.550 2.823 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980900 722146527 /nfs/dbraw/zinc/14/65/27/722146527.db2.gz NMRSYQKYGBONIV-GGAORHGYSA-N 2 0 407.562 2.798 20 0 HFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793328373 1078138704 /nfs/dbraw/zinc/13/87/04/1078138704.db2.gz BWVUOEMTXXBULS-UFYCRDLUSA-N 2 0 424.630 2.897 20 0 HFADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1)CC(C)C ZINC000793694069 1078270361 /nfs/dbraw/zinc/27/03/61/1078270361.db2.gz BDLJCTMEWQIXIL-FQEVSTJZSA-N 2 0 408.631 2.584 20 0 HFADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001170443800 1078381148 /nfs/dbraw/zinc/38/11/48/1078381148.db2.gz TWEWKGKIFWXJKB-UPVQGACJSA-N 2 0 403.611 2.908 20 0 HFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC000805763593 1079264635 /nfs/dbraw/zinc/26/46/35/1079264635.db2.gz MGKHQWZYFWUMGB-LJQANCHMSA-N 2 0 410.603 2.745 20 0 HFADRP C[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805940770 1079343725 /nfs/dbraw/zinc/34/37/25/1079343725.db2.gz BVNZBQQAMZNDHG-JSRJAPPDSA-N 2 0 414.594 2.536 20 0 HFADRP COC(=O)c1cc2c([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)[nH]ccc-2n1 ZINC001170496097 1079395183 /nfs/dbraw/zinc/39/51/83/1079395183.db2.gz KHTLIARBMZGLCN-QQFBHYJXSA-N 2 0 421.501 2.721 20 0 HFADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000787480994 1076839302 /nfs/dbraw/zinc/83/93/02/1076839302.db2.gz PCDZGVDVPSWTPW-FCHUYYIVSA-N 2 0 410.562 2.519 20 0 HFADRP CC(C)[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000787616089 1076879582 /nfs/dbraw/zinc/87/95/82/1076879582.db2.gz KWMAKSXUHPEBOQ-HRTMPFAESA-N 2 0 420.642 2.772 20 0 HFADRP C[N@@H+]1CC[C@@H](c2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2)C1 ZINC001170075701 1076894503 /nfs/dbraw/zinc/89/45/03/1076894503.db2.gz GIKFHSKRZHVAPZ-LJQANCHMSA-N 2 0 410.543 2.808 20 0 HFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787914302 1076993275 /nfs/dbraw/zinc/99/32/75/1076993275.db2.gz YYEXXJYFACICJV-FQEVSTJZSA-N 2 0 420.642 2.776 20 0 HFADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000787896620 1077003100 /nfs/dbraw/zinc/00/31/00/1077003100.db2.gz XBZJNBDELXEBRK-UHFFFAOYSA-N 2 0 406.615 2.528 20 0 HFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000788538937 1077193382 /nfs/dbraw/zinc/19/33/82/1077193382.db2.gz IULYBIZXPFGOLV-QGZVFWFLSA-N 2 0 403.571 2.569 20 0 HFADRP CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC000788584789 1077213218 /nfs/dbraw/zinc/21/32/18/1077213218.db2.gz QQFGVDFDWPSYDD-UHFFFAOYSA-N 2 0 415.582 2.583 20 0 HFADRP CC=C(NC=[NH2+])NC(=[NH2+])NCCCCCC(=O)Oc1ccc(C(=O)OCC)cc1 ZINC001170268714 1077923280 /nfs/dbraw/zinc/92/32/80/1077923280.db2.gz DNFSSKOGZTUHFV-IJUHEHPCSA-N 2 0 403.483 2.501 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3[nH]ccc32)[C@H](O)OC(C)(C)C)C1 ZINC001170389353 1077957863 /nfs/dbraw/zinc/95/78/63/1077957863.db2.gz CCCJFZZWUZKEQA-VRTSWNMPSA-N 2 0 422.545 2.580 20 0 HFADRP Cc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2[nH]ccc21 ZINC001170388943 1077957892 /nfs/dbraw/zinc/95/78/92/1077957892.db2.gz AUQYSLKOKQFWNH-BULJTUNSSA-N 2 0 418.582 2.750 20 0 HFADRP Cc1c[nH]c2cccc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c12 ZINC001170393301 1077958575 /nfs/dbraw/zinc/95/85/75/1077958575.db2.gz RDXAHWMPUIPTDP-ZHDBJLHOSA-N 2 0 418.582 2.750 20 0 HFADRP CCc1ccc(F)c(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170396697 1077960381 /nfs/dbraw/zinc/96/03/81/1077960381.db2.gz DIURTWTXPHAECM-KXEYLTKFSA-N 2 0 411.562 2.662 20 0 HFADRP CC[N@H+](CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367685 1078015812 /nfs/dbraw/zinc/01/58/12/1078015812.db2.gz HCRQKRVYRBWNCY-HSZRJFAPSA-N 2 0 404.599 2.695 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[N@H+](C)C4(CCCCC4)C3)cc2)CC1 ZINC001170423290 1078029917 /nfs/dbraw/zinc/02/99/17/1078029917.db2.gz BWMCGSDPUGHXMF-UHFFFAOYSA-N 2 0 413.610 2.717 20 0 HFADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806789698 1080010031 /nfs/dbraw/zinc/01/00/31/1080010031.db2.gz PEVMMBMSUHRNLH-QFIPXVFZSA-N 2 0 414.594 2.620 20 0 HFADRP CCOC(=O)C1=C(Nc2ccc(CN3CC[NH+](C(C)C)CC3)cc2F)CC[NH2+]C1 ZINC001170521651 1080506101 /nfs/dbraw/zinc/50/61/01/1080506101.db2.gz LAYIAHPVDVBSQM-UHFFFAOYSA-N 2 0 404.530 2.574 20 0 HFADRP [NH3+][C@]12C[C@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164418497 718887736 /nfs/dbraw/zinc/88/77/36/718887736.db2.gz OQIBPSZLWZINCJ-AOMKIAJQSA-N 2 0 424.932 2.934 20 0 HFADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH+]cc21 ZINC001164817984 720158829 /nfs/dbraw/zinc/15/88/29/720158829.db2.gz QUXITNFNJYFGHX-HXOBKFHXSA-N 2 0 412.534 2.924 20 0 HFADRP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833955 720512800 /nfs/dbraw/zinc/51/28/00/720512800.db2.gz DXJNCYKAGKGJNN-QHAWAJNXSA-N 2 0 409.582 2.960 20 0 HFADRP C[NH+](C)Cc1ccnc(N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164845262 720743380 /nfs/dbraw/zinc/74/33/80/720743380.db2.gz YHEKILGYOFYFPH-UHFFFAOYSA-N 2 0 403.534 2.501 20 0 HFADRP Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC001164771975 721056002 /nfs/dbraw/zinc/05/60/02/721056002.db2.gz NZKXYPXYYAFZTF-VXKWHMMOSA-N 2 0 421.545 2.638 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]21 ZINC001165025894 721817527 /nfs/dbraw/zinc/81/75/27/721817527.db2.gz ODNWZCDBFWMQMM-ACIOBRDBSA-N 2 0 420.605 2.965 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001165024188 721819713 /nfs/dbraw/zinc/81/97/13/721819713.db2.gz JNEFSGYXJSXMEO-WWPVKYPJSA-N 2 0 406.578 2.623 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923232 721840589 /nfs/dbraw/zinc/84/05/89/721840589.db2.gz UGIUVURHFUYCBA-DVECYGJZSA-N 2 0 424.545 2.619 20 0 HFADRP Cc1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964293 722025459 /nfs/dbraw/zinc/02/54/59/722025459.db2.gz WGYKEHHDZHGOQI-NFBKMPQASA-N 2 0 408.550 2.825 20 0 HFADRP C[NH+]1CCC(Oc2ccnc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@@H]34)c2)CC1 ZINC001164958139 722051182 /nfs/dbraw/zinc/05/11/82/722051182.db2.gz CZPOVUVEJBICMO-SNYIIPAISA-N 2 0 423.561 2.855 20 0 HFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000787901685 1077004454 /nfs/dbraw/zinc/00/44/54/1077004454.db2.gz CFPUMVIVHYZEOO-QNGMFEMESA-N 2 0 406.615 2.671 20 0 HFADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCN(C(=O)Oc4ccccc4)CC3)ccn2)CC1 ZINC000788539021 1077193089 /nfs/dbraw/zinc/19/30/89/1077193089.db2.gz KAOOPTMCWJLFJN-NRFANRHFSA-N 2 0 423.561 2.977 20 0 HFADRP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000788540527 1077194443 /nfs/dbraw/zinc/19/44/43/1077194443.db2.gz SRSNDEZYDWJRTC-AZUAARDMSA-N 2 0 417.598 2.959 20 0 HFADRP Cc1nccn1-c1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792043246 1077691138 /nfs/dbraw/zinc/69/11/38/1077691138.db2.gz AJBKFUGLNILSDQ-OAQYLSRUSA-N 2 0 404.518 2.897 20 0 HFADRP O=C(COC(=O)c1ccc2c[nH+]cn2c1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000792564682 1077912978 /nfs/dbraw/zinc/91/29/78/1077912978.db2.gz JWAPEWVTMPGVBU-UHFFFAOYSA-N 2 0 410.499 2.679 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CCCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001170395795 1077959941 /nfs/dbraw/zinc/95/99/41/1077959941.db2.gz NOCDZDOJBYVDHU-WNCSLHQUSA-N 2 0 419.610 2.839 20 0 HFADRP Cc1cc(C)c(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(C)c1 ZINC001170396996 1077960617 /nfs/dbraw/zinc/96/06/17/1077960617.db2.gz SIEMQNVKUUBZEA-PAPPXSOASA-N 2 0 407.599 2.885 20 0 HFADRP Cc1cc(C)c(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(C)c1 ZINC001170396998 1077960634 /nfs/dbraw/zinc/96/06/34/1077960634.db2.gz SIEMQNVKUUBZEA-WODKUCBQSA-N 2 0 407.599 2.885 20 0 HFADRP Cc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2cc[nH]c21 ZINC001170399820 1077964856 /nfs/dbraw/zinc/96/48/56/1077964856.db2.gz OCCLFHMGSDKHQK-BULJTUNSSA-N 2 0 418.582 2.750 20 0 HFADRP O=C1O[C@]2(CN1CN1CC[NH+](Cc3cccc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790372041 1078016850 /nfs/dbraw/zinc/01/68/50/1078016850.db2.gz XMQDZAVJIDDQFJ-VWLOTQADSA-N 2 0 420.557 2.832 20 0 HFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374017 1078017726 /nfs/dbraw/zinc/01/77/26/1078017726.db2.gz SYPFTTKBPRRIEJ-WMZHIEFXSA-N 2 0 404.599 2.837 20 0 HFADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806789689 1080010112 /nfs/dbraw/zinc/01/01/12/1080010112.db2.gz PDZHCSGYCWDDPC-AOMIVXANSA-N 2 0 418.626 2.813 20 0 HFADRP Cn1cnc2nc(Cl)nc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)c21 ZINC001170523000 1080564753 /nfs/dbraw/zinc/56/47/53/1080564753.db2.gz WMQAFIYMWAGOEE-UHFFFAOYSA-N 2 0 409.925 2.926 20 0 HFADRP COC(=O)c1c(OC)ccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170524289 1080608037 /nfs/dbraw/zinc/60/80/37/1080608037.db2.gz JZFKQJBIQHEVEM-UHFFFAOYSA-N 2 0 408.502 2.786 20 0 HFADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cccc(N)[nH+]3)CC2)c2ccccc21 ZINC001164679951 719663149 /nfs/dbraw/zinc/66/31/49/719663149.db2.gz BEERNZZECVWBLD-SFHVURJKSA-N 2 0 407.562 2.757 20 0 HFADRP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833949 720513403 /nfs/dbraw/zinc/51/34/03/720513403.db2.gz DXJNCYKAGKGJNN-PCCBWWKXSA-N 2 0 409.582 2.960 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4cnc(C[NH2+]C5CCC5)c4C3)c2)CC1 ZINC001164842969 720740849 /nfs/dbraw/zinc/74/08/49/720740849.db2.gz GSKFCLSUULUHNV-UHFFFAOYSA-N 3 0 410.566 2.804 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164811245 721589700 /nfs/dbraw/zinc/58/97/00/721589700.db2.gz WXJPDZHIWDMDBO-ZRBLBEILSA-N 2 0 407.562 2.941 20 0 HFADRP C[N@@H+]1CCc2nc(Cl)nc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)c2C1 ZINC001164796057 721597324 /nfs/dbraw/zinc/59/73/24/721597324.db2.gz BCGUASITMWXOKS-UHFFFAOYSA-N 2 0 412.900 2.798 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@@H]21 ZINC001165025898 721817734 /nfs/dbraw/zinc/81/77/34/721817734.db2.gz ODNWZCDBFWMQMM-PMVMPFDFSA-N 2 0 420.605 2.965 20 0 HFADRP c1ccc(C[NH+]2CCc3nc(N4C[C@@H]5C[N@H+](CC6CC6)C[C@H](C4)O5)ccc3C2)cc1 ZINC001164967932 722070103 /nfs/dbraw/zinc/07/01/03/722070103.db2.gz VMKVDTQPOVGFNQ-ZRZAMGCNSA-N 2 0 404.558 2.939 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2)c1 ZINC001164977052 722138883 /nfs/dbraw/zinc/13/88/83/722138883.db2.gz IDYXZHOVAYBZOC-GOTSBHOMSA-N 2 0 407.562 2.800 20 0 HFADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000747099515 1078052115 /nfs/dbraw/zinc/05/21/15/1078052115.db2.gz DKWVUTQJMJLZDH-UHFFFAOYSA-N 2 0 417.566 2.999 20 0 HFADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001170425006 1078069520 /nfs/dbraw/zinc/06/95/20/1078069520.db2.gz NZAHYDFIOOLUJO-IBGZPJMESA-N 2 0 401.551 2.803 20 0 HFADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793815031 1078315850 /nfs/dbraw/zinc/31/58/50/1078315850.db2.gz VBGJJYSRTSHDHV-NTKDMRAZSA-N 2 0 420.642 2.774 20 0 HFADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793914562 1078336505 /nfs/dbraw/zinc/33/65/05/1078336505.db2.gz UWLNFUFRHYTOBH-VAMGGRTRSA-N 2 0 420.642 2.630 20 0 HFADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000804698320 1078539804 /nfs/dbraw/zinc/53/98/04/1078539804.db2.gz YAUBCJXRWGKQFL-LJQANCHMSA-N 2 0 424.589 2.952 20 0 HFADRP Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)n1 ZINC001170490974 1079302256 /nfs/dbraw/zinc/30/22/56/1079302256.db2.gz YMQMIHSDEJPODD-WQUXRXDGSA-N 2 0 422.577 2.624 20 0 HFADRP CC(C)[C@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000788518786 1077189430 /nfs/dbraw/zinc/18/94/30/1077189430.db2.gz LJWYHDKIWRTXFX-UNMCSNQZSA-N 2 0 402.583 2.902 20 0 HFADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000746767151 1077310417 /nfs/dbraw/zinc/31/04/17/1077310417.db2.gz VBSLFNREPNYVFZ-UXHICEINSA-N 2 0 408.974 2.885 20 0 HFADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000789756217 1077787071 /nfs/dbraw/zinc/78/70/71/1077787071.db2.gz CMERWXAZYCCULL-NRFANRHFSA-N 2 0 424.545 2.731 20 0 HFADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000792330141 1077792579 /nfs/dbraw/zinc/79/25/79/1077792579.db2.gz BBEHSNLUPABUON-UHFFFAOYSA-N 2 0 422.614 2.700 20 0 HFADRP CN(C)c1ccc(NC(=O)CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000790129917 1077951382 /nfs/dbraw/zinc/95/13/82/1077951382.db2.gz OGOROIUHFNOHMO-UHFFFAOYSA-N 2 0 423.605 2.831 20 0 HFADRP Cc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2[nH]ccc21 ZINC001170388946 1077957924 /nfs/dbraw/zinc/95/79/24/1077957924.db2.gz AUQYSLKOKQFWNH-PAFQGWRISA-N 2 0 418.582 2.750 20 0 HFADRP Cc1c[nH]c2c1cccc2N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170390350 1077958375 /nfs/dbraw/zinc/95/83/75/1077958375.db2.gz JANAPCZTFYZQTG-BULJTUNSSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CC=C3)[C@H](O)OC(C)(C)C)C1 ZINC001170394100 1077959044 /nfs/dbraw/zinc/95/90/44/1077959044.db2.gz UGDACMLPNOMOOL-WROXGLCASA-N 2 0 403.567 2.529 20 0 HFADRP Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc2cc[nH]c21 ZINC001170396706 1077960363 /nfs/dbraw/zinc/96/03/63/1077960363.db2.gz DJLSFXPJVGIBLQ-OWUOWLPPSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3[nH]cc(F)c32)[C@@H](O)OC(C)(C)C)C1 ZINC001170400354 1077965078 /nfs/dbraw/zinc/96/50/78/1077965078.db2.gz RQZWVHSHNGUTRN-GQLAPXGBSA-N 2 0 422.545 2.580 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372298 1078017325 /nfs/dbraw/zinc/01/73/25/1078017325.db2.gz PNRSYSJSSXNNSA-NMVJMZGASA-N 2 0 424.589 2.847 20 0 HFADRP CCOC(=O)C1=C(Nc2ccc(N3CC[NH2+]CC3)nc2)CC[N@H+](Cc2ccccc2)C1 ZINC001170523019 1080567247 /nfs/dbraw/zinc/56/72/47/1080567247.db2.gz XJJBVJLGPIOBOX-UHFFFAOYSA-N 2 0 421.545 2.626 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822858 720344216 /nfs/dbraw/zinc/34/42/16/720344216.db2.gz FZMGHEYXHBQGOA-FCHUYYIVSA-N 2 0 411.594 2.587 20 0 HFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]21 ZINC001164835658 720590000 /nfs/dbraw/zinc/59/00/00/720590000.db2.gz CEOKGAQNKYNNLS-ZWOKBUDYSA-N 2 0 414.985 2.955 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748783 720800814 /nfs/dbraw/zinc/80/08/14/720800814.db2.gz RLDKGGOLSGOYLL-JAXLGGSGSA-N 2 0 408.550 2.760 20 0 HFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164780293 721370657 /nfs/dbraw/zinc/37/06/57/721370657.db2.gz FTENYPWZXLSCTN-HSZRJFAPSA-N 2 0 422.533 2.991 20 0 HFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164785822 721464072 /nfs/dbraw/zinc/46/40/72/721464072.db2.gz NSVLIGVEVQODNT-OAQYLSRUSA-N 2 0 402.583 2.583 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165026621 721804455 /nfs/dbraw/zinc/80/44/55/721804455.db2.gz ROLFYEFPJJAWDU-XFQXTVEOSA-N 2 0 412.969 2.908 20 0 HFADRP Cc1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964296 722025360 /nfs/dbraw/zinc/02/53/60/722025360.db2.gz WGYKEHHDZHGOQI-NZQKXSOJSA-N 2 0 408.550 2.825 20 0 HFADRP Cc1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960554 722025768 /nfs/dbraw/zinc/02/57/68/722025768.db2.gz KLRDCEMVLZMURF-NFBKMPQASA-N 2 0 408.550 2.825 20 0 HFADRP Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975009 722136177 /nfs/dbraw/zinc/13/61/77/722136177.db2.gz DRTVQEGHMYTAJB-DYESRHJHSA-N 2 0 413.953 2.503 20 0 HFADRP C[C@@H](COC(=O)c1ccc2c[nH+]cn2c1)O[C@@H](C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793280934 1078126639 /nfs/dbraw/zinc/12/66/39/1078126639.db2.gz YQAAIQWWOQJHRE-HOTGVXAUSA-N 2 0 422.441 2.789 20 0 HFADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000747143828 1078260610 /nfs/dbraw/zinc/26/06/10/1078260610.db2.gz BPSTXSAWRBREMO-ILWGZMRPSA-N 2 0 403.567 2.731 20 0 HFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300968 1076748548 /nfs/dbraw/zinc/74/85/48/1076748548.db2.gz ZYODKCHGPKNUDT-FKKSXTGDSA-N 2 0 416.587 2.870 20 0 HFADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000787481001 1076839446 /nfs/dbraw/zinc/83/94/46/1076839446.db2.gz PCDZGVDVPSWTPW-YADHBBJMSA-N 2 0 410.562 2.519 20 0 HFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000787908778 1076991505 /nfs/dbraw/zinc/99/15/05/1076991505.db2.gz GIQVHIBGQGLFAF-BGYRXZFFSA-N 2 0 416.610 2.581 20 0 HFADRP Cc1cnc2c(N(CC[NH3+])c3cc(C)c4c(n3)CC[NH2+]C4)nc3ccc(C)cc3n12 ZINC001170146821 1077269052 /nfs/dbraw/zinc/26/90/52/1077269052.db2.gz QQGUSSYUZWZEKC-UHFFFAOYSA-N 2 0 401.518 2.945 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C(F)F)c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170389860 1077958132 /nfs/dbraw/zinc/95/81/32/1077958132.db2.gz FTLUVSNQTPPFTD-LPXKSRHMSA-N 2 0 415.525 2.898 20 0 HFADRP Cc1cc2cc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ccc2[nH]1 ZINC001170394158 1077959213 /nfs/dbraw/zinc/95/92/13/1077959213.db2.gz UVGRZAHAQSUCLS-RXETVOCWSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccccc2C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001170400566 1077965037 /nfs/dbraw/zinc/96/50/37/1077965037.db2.gz STCUAXJLLMQBJY-DIMUUIPOSA-N 2 0 405.583 2.837 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3[nH]ccc3c2F)[C@H](O)OC(C)(C)C)C1 ZINC001170401007 1077965269 /nfs/dbraw/zinc/96/52/69/1077965269.db2.gz VBWPEYBUPLNNCL-DMQNSSDXSA-N 2 0 422.545 2.580 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3[nH]ccc3c2F)[C@H](O)OC(C)(C)C)C1 ZINC001170401012 1077965295 /nfs/dbraw/zinc/96/52/95/1077965295.db2.gz VBWPEYBUPLNNCL-RGTVFCOUSA-N 2 0 422.545 2.580 20 0 HFADRP CC[N@H+](CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376805 1078018683 /nfs/dbraw/zinc/01/86/83/1078018683.db2.gz WHABFFLHTXRFOQ-HSZRJFAPSA-N 2 0 406.615 2.941 20 0 HFADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000790471052 1078038754 /nfs/dbraw/zinc/03/87/54/1078038754.db2.gz GLGWZSRQKIRPDR-YADHBBJMSA-N 2 0 401.551 2.755 20 0 HFADRP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000806738575 1079929515 /nfs/dbraw/zinc/92/95/15/1079929515.db2.gz ILJVYXWFWFGKCG-FKBYEOEOSA-N 2 0 402.583 2.650 20 0 HFADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000806789696 1080009930 /nfs/dbraw/zinc/00/99/30/1080009930.db2.gz PEVMMBMSUHRNLH-JOCHJYFZSA-N 2 0 414.594 2.620 20 0 HFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000806813871 1080027422 /nfs/dbraw/zinc/02/74/22/1080027422.db2.gz COICGHCNMKJFCT-VCOUNFBDSA-N 2 0 402.583 2.929 20 0 HFADRP CNc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc1C(=O)OC ZINC001170523843 1080599436 /nfs/dbraw/zinc/59/94/36/1080599436.db2.gz FRFLGWOEPQJCJD-UHFFFAOYSA-N 2 0 407.518 2.819 20 0 HFADRP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)nn4)[C@H]3C2)cc1 ZINC001164626037 719107099 /nfs/dbraw/zinc/10/70/99/719107099.db2.gz ICESBWJTVVEKQZ-YADHBBJMSA-N 2 0 407.562 2.956 20 0 HFADRP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833932 720513051 /nfs/dbraw/zinc/51/30/51/720513051.db2.gz DXJNCYKAGKGJNN-NJDAHSKKSA-N 2 0 409.582 2.960 20 0 HFADRP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@H]21 ZINC001164812233 721583168 /nfs/dbraw/zinc/58/31/68/721583168.db2.gz ZRBSUOZLEQKNED-AOHZBQACSA-N 2 0 407.562 2.939 20 0 HFADRP Cc1cnc2n1CCN(C)C21CCN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC001164919151 721821370 /nfs/dbraw/zinc/82/13/70/721821370.db2.gz NSDFJQOXWMTLKR-UHFFFAOYSA-N 2 0 410.566 2.501 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165023165 721824620 /nfs/dbraw/zinc/82/46/20/721824620.db2.gz HUXVJKRSCCHIBA-YUXAGFNASA-N 2 0 422.577 2.739 20 0 HFADRP c1cncc(C[N@H+]2CCC3(C2)CCN(c2ccc(OCC4CC[NH2+]CC4)nn2)CC3)c1 ZINC001164964187 722024000 /nfs/dbraw/zinc/02/40/00/722024000.db2.gz VSTIREXWHJOLKA-UHFFFAOYSA-N 2 0 422.577 2.743 20 0 HFADRP c1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1 ZINC001164961879 722051383 /nfs/dbraw/zinc/05/13/83/722051383.db2.gz XHBYRBLPXQETRU-DCLXLUIPSA-N 2 0 423.561 2.856 20 0 HFADRP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976458 722103078 /nfs/dbraw/zinc/10/30/78/722103078.db2.gz DGOJBXUPZGXQHO-LEWJYISDSA-N 2 0 408.550 2.508 20 0 HFADRP Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975015 722136646 /nfs/dbraw/zinc/13/66/46/722136646.db2.gz DRTVQEGHMYTAJB-UWJYYQICSA-N 2 0 413.953 2.503 20 0 HFADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074992 1078906059 /nfs/dbraw/zinc/90/60/59/1078906059.db2.gz RJPQYTWFRVTBFY-SLFFLAALSA-N 2 0 408.974 2.885 20 0 HFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000805636048 1079189625 /nfs/dbraw/zinc/18/96/25/1079189625.db2.gz JKUQYXCHOIQTLU-MWXLCCTBSA-N 2 0 420.642 2.917 20 0 HFADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527386 1079436415 /nfs/dbraw/zinc/43/64/15/1079436415.db2.gz DYSZWYZEGJHTBL-ZRCGQRJVSA-N 2 0 403.542 2.701 20 0 HFADRP CC(C)[NH+]1CCC(NC(=O)COC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000772719552 1077162512 /nfs/dbraw/zinc/16/25/12/1077162512.db2.gz UETYDUDKLNQLKH-UHFFFAOYSA-N 2 0 415.578 2.821 20 0 HFADRP CC(C)(C)OC(=O)N1CC2(CC([NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000788500700 1077183411 /nfs/dbraw/zinc/18/34/11/1077183411.db2.gz CKKMWIDQVJUFRJ-UHFFFAOYSA-N 2 0 414.594 2.793 20 0 HFADRP CCOC(=O)[C@H]1[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613937 1077228164 /nfs/dbraw/zinc/22/81/64/1077228164.db2.gz YQDIWCJQDWDFJO-RBUKOAKNSA-N 2 0 423.529 2.918 20 0 HFADRP C[C@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000746764838 1077303632 /nfs/dbraw/zinc/30/36/32/1077303632.db2.gz BUFAUJQNHVPTIE-KNQAVFIVSA-N 2 0 402.583 2.840 20 0 HFADRP NC(=[NH2+])N(c1ccc(COC2CC[NH2+]CC2)cc1)c1ccc(N2CCOCC2)cc1 ZINC001170166708 1077853608 /nfs/dbraw/zinc/85/36/08/1077853608.db2.gz MMWUTTLRRCFRLL-UHFFFAOYSA-N 2 0 409.534 2.823 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3[nH]cc(F)c32)[C@H](O)OC(C)(C)C)C1 ZINC001170400358 1077965035 /nfs/dbraw/zinc/96/50/35/1077965035.db2.gz RQZWVHSHNGUTRN-RGTVFCOUSA-N 2 0 422.545 2.580 20 0 HFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364063 1078005021 /nfs/dbraw/zinc/00/50/21/1078005021.db2.gz DGCAWXNLVNCOMT-XUZZJYLKSA-N 2 0 412.578 2.705 20 0 HFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364066 1078005074 /nfs/dbraw/zinc/00/50/74/1078005074.db2.gz DGCAWXNLVNCOMT-ZJSXRUAMSA-N 2 0 412.578 2.705 20 0 HFADRP C[C@@H](c1ccc(Cl)cc1)N1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372965 1078017030 /nfs/dbraw/zinc/01/70/30/1078017030.db2.gz XKRCYIXNWPMOPL-JTSKRJEESA-N 2 0 418.969 2.893 20 0 HFADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790471495 1078039065 /nfs/dbraw/zinc/03/90/65/1078039065.db2.gz QWGCFOHYFPZRJY-HXUWFJFHSA-N 2 0 402.583 2.651 20 0 HFADRP Cc1nc(-n2ccnc2)cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170525198 1080644354 /nfs/dbraw/zinc/64/43/54/1080644354.db2.gz JTPRPZIPZZNTDT-UHFFFAOYSA-N 2 0 401.518 2.880 20 0 HFADRP COc1ccc2ncnc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)c2n1 ZINC001170525686 1080735090 /nfs/dbraw/zinc/73/50/90/1080735090.db2.gz MHABKAGQGGGSGN-UHFFFAOYSA-N 2 0 402.502 2.943 20 0 HFADRP CNC(=S)Nc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170525800 1080738324 /nfs/dbraw/zinc/73/83/24/1080738324.db2.gz OXOVKNLNEQQFRD-UHFFFAOYSA-N 2 0 408.575 2.907 20 0 HFADRP CN(C)C(=O)c1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cnc1F ZINC001170528296 1080795574 /nfs/dbraw/zinc/79/55/74/1080795574.db2.gz KOLTWBGFMNCTQZ-UHFFFAOYSA-N 2 0 409.509 2.832 20 0 HFADRP Cn1cc([C@@H]2COC3(C2)CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)cn1 ZINC001164697616 719827215 /nfs/dbraw/zinc/82/72/15/719827215.db2.gz PLDBUPCPAKUJJY-SFHVURJKSA-N 2 0 411.550 2.831 20 0 HFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835652 720590206 /nfs/dbraw/zinc/59/02/06/720590206.db2.gz CEOKGAQNKYNNLS-ABSDTBQOSA-N 2 0 414.985 2.955 20 0 HFADRP Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(N2CCCC2)[nH+]1 ZINC001164958033 722052728 /nfs/dbraw/zinc/05/27/28/722052728.db2.gz ASZHXLKZSBPWGH-UHFFFAOYSA-N 2 0 422.577 2.899 20 0 HFADRP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001170425008 1078069485 /nfs/dbraw/zinc/06/94/85/1078069485.db2.gz NZAHYDFIOOLUJO-LJQANCHMSA-N 2 0 401.551 2.803 20 0 HFADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000793435496 1078171705 /nfs/dbraw/zinc/17/17/05/1078171705.db2.gz JUTAYKVDJUOKMH-UHFFFAOYSA-N 2 0 418.582 2.940 20 0 HFADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000747143823 1078260571 /nfs/dbraw/zinc/26/05/71/1078260571.db2.gz BPSTXSAWRBREMO-CEMLEFRQSA-N 2 0 403.567 2.731 20 0 HFADRP C[C@@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[NH+]1CCCCC1 ZINC000793720172 1078264982 /nfs/dbraw/zinc/26/49/82/1078264982.db2.gz GKCMRBBBXODVDO-FQEVSTJZSA-N 2 0 414.594 2.525 20 0 HFADRP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793700809 1078273751 /nfs/dbraw/zinc/27/37/51/1078273751.db2.gz OZBLZWGUFDZBTH-VWPQPMDRSA-N 2 0 414.594 2.661 20 0 HFADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001170437311 1078293293 /nfs/dbraw/zinc/29/32/93/1078293293.db2.gz MJZDCZPMZUJGMS-FQEVSTJZSA-N 2 0 411.546 2.561 20 0 HFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793912329 1078335898 /nfs/dbraw/zinc/33/58/98/1078335898.db2.gz PDFZEPMFBDDAKC-OALUTQOASA-N 2 0 416.610 2.579 20 0 HFADRP COC(=O)c1cc2ccc([NH+]3C=CC(=NC(=O)C4CCC([C@@H](C)[NH3+])CC4)C=C3)[nH]c-2n1 ZINC001170486695 1079224577 /nfs/dbraw/zinc/22/45/77/1079224577.db2.gz MQHFLHMKCFASNP-QQFBHYJXSA-N 2 0 421.501 2.721 20 0 HFADRP CN(CC[NH3+])CCNc1ncc2c(c1F)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001170498360 1079416210 /nfs/dbraw/zinc/41/62/10/1079416210.db2.gz KQEIIKHFEBEJFY-UHFFFAOYSA-N 2 0 413.541 2.545 20 0 HFADRP [NH3+]CCN(c1ccc([C@@H]2CCC[NH2+]C2)cc1)S(=O)(=O)c1cccc2cnccc21 ZINC001170075663 1076881567 /nfs/dbraw/zinc/88/15/67/1076881567.db2.gz FJYLKFUPRUUJOC-GOSISDBHSA-N 2 0 410.543 2.856 20 0 HFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000787908783 1076991464 /nfs/dbraw/zinc/99/14/64/1076991464.db2.gz GIQVHIBGQGLFAF-PMACEKPBSA-N 2 0 416.610 2.581 20 0 HFADRP COCC(C)(C)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000772742200 1077709621 /nfs/dbraw/zinc/70/96/21/1077709621.db2.gz PQUQRYHVPIPWKS-UHFFFAOYSA-N 2 0 410.562 2.962 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCOC)[C@@H]3CC[C@H](C)C3)cc2)CC1 ZINC000792463724 1077859252 /nfs/dbraw/zinc/85/92/52/1077859252.db2.gz CJJDKVRGGCYDOB-SIKLNZKXSA-N 2 0 402.583 2.904 20 0 HFADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)O1 ZINC001170278507 1077934853 /nfs/dbraw/zinc/93/48/53/1077934853.db2.gz REZORHGQNKCFBV-NUJGCVRESA-N 2 0 400.445 2.614 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3[nH]ccc32)[C@@H](O)OC(C)(C)C)C1 ZINC001170389354 1077957857 /nfs/dbraw/zinc/95/78/57/1077957857.db2.gz CCCJFZZWUZKEQA-XOLOWIGPSA-N 2 0 422.545 2.580 20 0 HFADRP CCc1ccc(F)c(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170396695 1077960352 /nfs/dbraw/zinc/96/03/52/1077960352.db2.gz DIURTWTXPHAECM-JYBBTRFZSA-N 2 0 411.562 2.662 20 0 HFADRP CCc1ccc(F)c(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170396698 1077960360 /nfs/dbraw/zinc/96/03/60/1077960360.db2.gz DIURTWTXPHAECM-MFZGXCKPSA-N 2 0 411.562 2.662 20 0 HFADRP CCc1ccc(F)c(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170396700 1077960388 /nfs/dbraw/zinc/96/03/88/1077960388.db2.gz DIURTWTXPHAECM-QBRMMOJRSA-N 2 0 411.562 2.662 20 0 HFADRP Cc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2cc[nH]c21 ZINC001170399822 1077964747 /nfs/dbraw/zinc/96/47/47/1077964747.db2.gz OCCLFHMGSDKHQK-LEJHGULMSA-N 2 0 418.582 2.750 20 0 HFADRP Cc1c2[nH]ccc2ccc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170400067 1077964799 /nfs/dbraw/zinc/96/47/99/1077964799.db2.gz QCCJDLBVELITLU-QTOWHEFOSA-N 2 0 418.582 2.750 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372500 1078017349 /nfs/dbraw/zinc/01/73/49/1078017349.db2.gz WLHZYPXYABRUES-JWQCQUIFSA-N 2 0 424.589 2.849 20 0 HFADRP CC[N@H+](CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC(C)C ZINC000790376852 1078018517 /nfs/dbraw/zinc/01/85/17/1078018517.db2.gz WHABFFLHTXRFOQ-QHCPKHFHSA-N 3 0 406.615 2.941 20 0 HFADRP COC(=O)c1ncc(Cl)nc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170523833 1080599509 /nfs/dbraw/zinc/59/95/09/1080599509.db2.gz FEYFHTPFVXFJLA-UHFFFAOYSA-N 2 0 413.909 2.826 20 0 HFADRP CSc1nc(C2C[NH2+]C2)cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170524301 1080608090 /nfs/dbraw/zinc/60/80/90/1080608090.db2.gz KRAJVUNZOXLROE-UHFFFAOYSA-N 3 0 422.602 2.795 20 0 HFADRP Cc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc(N2CCOCC2)n1 ZINC001170524951 1080641612 /nfs/dbraw/zinc/64/16/12/1080641612.db2.gz POEIKTSSJYLNCV-UHFFFAOYSA-N 2 0 420.561 2.531 20 0 HFADRP Clc1nc2c(c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n1)CC[NH2+]C2 ZINC001164694736 719888470 /nfs/dbraw/zinc/88/84/70/719888470.db2.gz DPUHAWCFTCTEBV-UHFFFAOYSA-N 2 0 419.982 2.709 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816620 720151791 /nfs/dbraw/zinc/15/17/91/720151791.db2.gz LWZQXAQFHJRBKI-ZJSXRUAMSA-N 2 0 414.594 2.741 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810817 720200088 /nfs/dbraw/zinc/20/00/88/720200088.db2.gz CYDQZPVAZVEMNT-XUZZJYLKSA-N 2 0 414.594 2.645 20 0 HFADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750355 720845870 /nfs/dbraw/zinc/84/58/70/720845870.db2.gz XIFWKOIULOPTDG-VABKMULXSA-N 2 0 421.593 2.648 20 0 HFADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750202 720858088 /nfs/dbraw/zinc/85/80/88/720858088.db2.gz OQNTTWRAEAHCGW-XPWALMASSA-N 2 0 421.593 2.648 20 0 HFADRP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164812241 721582768 /nfs/dbraw/zinc/58/27/68/721582768.db2.gz ZRBSUOZLEQKNED-WPFOTENUSA-N 2 0 407.562 2.939 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001165025900 721817544 /nfs/dbraw/zinc/81/75/44/721817544.db2.gz ODNWZCDBFWMQMM-WWNPGLIZSA-N 2 0 420.605 2.965 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966324 722065497 /nfs/dbraw/zinc/06/54/97/722065497.db2.gz QVAGEIWKLWZGCR-RTBURBONSA-N 2 0 413.547 2.505 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3C2)c1 ZINC001164973869 722155659 /nfs/dbraw/zinc/15/56/59/722155659.db2.gz NEOSSUBVRGTBLN-JTHBVZDNSA-N 2 0 407.562 2.800 20 0 HFADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164995928 722208308 /nfs/dbraw/zinc/20/83/08/722208308.db2.gz PYZNSYZUECXTHI-QHCPKHFHSA-N 2 0 411.525 2.991 20 0 HFADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000787739948 1076937463 /nfs/dbraw/zinc/93/74/63/1076937463.db2.gz VPHPFCIRQASILL-OAQYLSRUSA-N 2 0 414.594 2.709 20 0 HFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787904241 1076988561 /nfs/dbraw/zinc/98/85/61/1076988561.db2.gz QHXIGBILTBNGSZ-FQEVSTJZSA-N 2 0 420.642 2.918 20 0 HFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787909226 1076990930 /nfs/dbraw/zinc/99/09/30/1076990930.db2.gz IPUHXKXIMLTYKS-FDRBHKFBSA-N 2 0 420.642 2.774 20 0 HFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746736368 1077076119 /nfs/dbraw/zinc/07/61/19/1077076119.db2.gz MIHSZUMJSFYUNB-LJQANCHMSA-N 2 0 417.554 2.831 20 0 HFADRP CCOC(=O)[C@@H]1[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613932 1077228049 /nfs/dbraw/zinc/22/80/49/1077228049.db2.gz YQDIWCJQDWDFJO-OALUTQOASA-N 2 0 423.529 2.918 20 0 HFADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000746767153 1077310444 /nfs/dbraw/zinc/31/04/44/1077310444.db2.gz VBSLFNREPNYVFZ-WOJBJXKFSA-N 2 0 408.974 2.885 20 0 HFADRP Cc1c[nH]c2c1cccc2N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170390353 1077958350 /nfs/dbraw/zinc/95/83/50/1077958350.db2.gz JANAPCZTFYZQTG-PAFQGWRISA-N 2 0 418.582 2.750 20 0 HFADRP Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(C)c1C ZINC001170396342 1077959971 /nfs/dbraw/zinc/95/99/71/1077959971.db2.gz OPCYUHRYYJKUEM-ZONLJJFTSA-N 2 0 407.599 2.885 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccccc2C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001170400568 1077965026 /nfs/dbraw/zinc/96/50/26/1077965026.db2.gz STCUAXJLLMQBJY-XXBFSGCESA-N 2 0 405.583 2.837 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(C)(C)C)ccn2)[C@H](O)OC(C)(C)C)C1 ZINC001170400572 1077965040 /nfs/dbraw/zinc/96/50/40/1077965040.db2.gz SUDCJXGCOGTOLG-WCUWYRCVSA-N 2 0 422.614 2.653 20 0 HFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000806813868 1080027430 /nfs/dbraw/zinc/02/74/30/1080027430.db2.gz COICGHCNMKJFCT-CBQOVEMMSA-N 2 0 402.583 2.929 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810395 720095153 /nfs/dbraw/zinc/09/51/53/720095153.db2.gz LMSJENCUYQTASQ-PGRDOPGGSA-N 2 0 420.001 2.782 20 0 HFADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COC)[nH+]cc21 ZINC001164817990 720158982 /nfs/dbraw/zinc/15/89/82/720158982.db2.gz QUXITNFNJYFGHX-UZUQRXQVSA-N 2 0 412.534 2.924 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164825903 720336767 /nfs/dbraw/zinc/33/67/67/720336767.db2.gz JWWFWORAPYPYNI-FGZHOGPDSA-N 2 0 411.594 2.589 20 0 HFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164791311 721469295 /nfs/dbraw/zinc/46/92/95/721469295.db2.gz WXXLMNGORLGOEP-QFIPXVFZSA-N 2 0 416.610 2.877 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164811239 721589959 /nfs/dbraw/zinc/58/99/59/721589959.db2.gz WXJPDZHIWDMDBO-DNVJHFABSA-N 2 0 407.562 2.941 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)n3)C[C@H]21 ZINC001165025896 721817580 /nfs/dbraw/zinc/81/75/80/721817580.db2.gz ODNWZCDBFWMQMM-MDNUFGMLSA-N 2 0 420.605 2.965 20 0 HFADRP Cc1ccc(N(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959867 722025399 /nfs/dbraw/zinc/02/53/99/722025399.db2.gz JCUSKQTXXYINSN-OFNKIYASSA-N 2 0 408.550 2.823 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966322 722065617 /nfs/dbraw/zinc/06/56/17/722065617.db2.gz QVAGEIWKLWZGCR-OALUTQOASA-N 2 0 413.547 2.505 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164981586 722098883 /nfs/dbraw/zinc/09/88/83/722098883.db2.gz LTHSWMALDKLMKV-SFTDATJTSA-N 2 0 408.550 2.508 20 0 HFADRP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976469 722103022 /nfs/dbraw/zinc/10/30/22/722103022.db2.gz DGOJBXUPZGXQHO-SFTDATJTSA-N 2 0 408.550 2.508 20 0 HFADRP CN1CCN(c2ncnc3c2CC[N@@H+](C(C)(C)c2ccnc(Cl)c2)CC3)CC1 ZINC001165005509 722240372 /nfs/dbraw/zinc/24/03/72/722240372.db2.gz UGOQYXANBQRGAY-UHFFFAOYSA-N 2 0 400.958 2.613 20 0 HFADRP C[NH+](C)CCNC(=S)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793258342 1078112446 /nfs/dbraw/zinc/11/24/46/1078112446.db2.gz XWGKBEGNLBYNNK-QFIPXVFZSA-N 2 0 411.619 2.984 20 0 HFADRP C[C@@H](CNC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+]1CCCCC1 ZINC000793713729 1078261958 /nfs/dbraw/zinc/26/19/58/1078261958.db2.gz APXLQLPHPJKRBB-PMACEKPBSA-N 2 0 414.594 2.757 20 0 HFADRP C[C@H](CNC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[NH+]1CCCCC1 ZINC000793713730 1078261965 /nfs/dbraw/zinc/26/19/65/1078261965.db2.gz APXLQLPHPJKRBB-UXHICEINSA-N 2 0 414.594 2.757 20 0 HFADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793815030 1078315874 /nfs/dbraw/zinc/31/58/74/1078315874.db2.gz VBGJJYSRTSHDHV-DVECYGJZSA-N 2 0 420.642 2.774 20 0 HFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787907748 1076990642 /nfs/dbraw/zinc/99/06/42/1076990642.db2.gz DLHVRMNLBYWKMD-QNGMFEMESA-N 2 0 406.615 2.528 20 0 HFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2CC[NH+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788592321 1077215263 /nfs/dbraw/zinc/21/52/63/1077215263.db2.gz BKEMPCKCZNQJHO-KRWDZBQOSA-N 2 0 411.587 2.887 20 0 HFADRP O=C(C[NH+]1CCC(COc2ccc(Cl)nc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000789313758 1077510598 /nfs/dbraw/zinc/51/05/98/1077510598.db2.gz OHBPBDJHJUAZDK-UHFFFAOYSA-N 2 0 406.958 2.569 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCOC)[C@@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000792463717 1077858916 /nfs/dbraw/zinc/85/89/16/1077858916.db2.gz CJJDKVRGGCYDOB-DENIHFKCSA-N 2 0 402.583 2.904 20 0 HFADRP CC[C@@H]1C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200910 1077912633 /nfs/dbraw/zinc/91/26/33/1077912633.db2.gz AJGLCEOBJYFGEA-NJYVYQBISA-N 2 0 411.550 2.957 20 0 HFADRP CC1=Cc2cccc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2C1 ZINC001170392006 1077958362 /nfs/dbraw/zinc/95/83/62/1077958362.db2.gz OJSVNSZOMLGXBS-JYFICSRFSA-N 2 0 417.594 2.919 20 0 HFADRP Cc1cc2cc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ccc2[nH]1 ZINC001170394155 1077959209 /nfs/dbraw/zinc/95/92/09/1077959209.db2.gz UVGRZAHAQSUCLS-IKRQRYTESA-N 2 0 418.582 2.750 20 0 HFADRP O=C1O[C@]2(CN1CN1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372504 1078017403 /nfs/dbraw/zinc/01/74/03/1078017403.db2.gz WLHZYPXYABRUES-RPBOFIJWSA-N 2 0 424.589 2.849 20 0 HFADRP CCC[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000790377012 1078018457 /nfs/dbraw/zinc/01/84/57/1078018457.db2.gz WTIZXZYUYSEBTM-ISKFKSNPSA-N 2 0 412.578 2.847 20 0 HFADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)C2)CC1 ZINC000790469894 1078038435 /nfs/dbraw/zinc/03/84/35/1078038435.db2.gz DXLHITUGNAGXBF-NRFANRHFSA-N 2 0 400.567 2.546 20 0 HFADRP NC(=O)c1cc2c(nc1-n1cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc31)CCC2 ZINC001170526920 1080764519 /nfs/dbraw/zinc/76/45/19/1080764519.db2.gz YLKZHKOWMSZAJG-UHFFFAOYSA-N 2 0 403.530 2.579 20 0 HFADRP CCOC(=O)C1CC[NH+](C2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)CC1 ZINC001164614091 719021979 /nfs/dbraw/zinc/02/19/79/719021979.db2.gz NBBHJONOZDJEEF-UHFFFAOYSA-N 2 0 401.555 2.629 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810394 720095868 /nfs/dbraw/zinc/09/58/68/720095868.db2.gz LMSJENCUYQTASQ-GCJKJVERSA-N 2 0 420.001 2.782 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816850 720193589 /nfs/dbraw/zinc/19/35/89/720193589.db2.gz NEVKCWGYEROGFH-RDPSFJRHSA-N 2 0 414.594 2.739 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810820 720200471 /nfs/dbraw/zinc/20/04/71/720200471.db2.gz CYDQZPVAZVEMNT-ZJSXRUAMSA-N 2 0 414.594 2.645 20 0 HFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164835864 720576202 /nfs/dbraw/zinc/57/62/02/720576202.db2.gz IPZVJQLELVTSKL-ONTIZHBOSA-N 2 0 409.582 2.518 20 0 HFADRP c1ncn(C[C@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750200 720858642 /nfs/dbraw/zinc/85/86/42/720858642.db2.gz OQNTTWRAEAHCGW-DNVJHFABSA-N 2 0 421.593 2.648 20 0 HFADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC001164771968 721055934 /nfs/dbraw/zinc/05/59/34/721055934.db2.gz NZKXYPXYYAFZTF-FCHUYYIVSA-N 2 0 421.545 2.638 20 0 HFADRP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771802 721143718 /nfs/dbraw/zinc/14/37/18/721143718.db2.gz UFDXBPCRFDGVKM-MOPGFXCFSA-N 2 0 407.518 2.944 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]21 ZINC001165021367 721799865 /nfs/dbraw/zinc/79/98/65/721799865.db2.gz GNZMRADCHFOSQD-MOXGXCLJSA-N 2 0 412.969 2.908 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@H]21 ZINC001165021369 721800026 /nfs/dbraw/zinc/80/00/26/721800026.db2.gz GNZMRADCHFOSQD-XFQXTVEOSA-N 2 0 412.969 2.908 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C[C@@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916164 721807725 /nfs/dbraw/zinc/80/77/25/721807725.db2.gz OHOJSTSNLHWBMT-FYYLOGMGSA-N 2 0 410.518 2.766 20 0 HFADRP CCc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001164956235 722020000 /nfs/dbraw/zinc/02/00/00/722020000.db2.gz ZMWRLRHQPSUKOW-UHFFFAOYSA-N 2 0 422.577 2.763 20 0 HFADRP C[NH+]1CCC(Oc2ccnc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@H]43)c2)CC1 ZINC001164958137 722051157 /nfs/dbraw/zinc/05/11/57/722051157.db2.gz CZPOVUVEJBICMO-MEKIYTOJSA-N 2 0 423.561 2.855 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164981585 722098988 /nfs/dbraw/zinc/09/89/88/722098988.db2.gz LTHSWMALDKLMKV-RTWAWAEBSA-N 2 0 408.550 2.508 20 0 HFADRP C[C@@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+]1CCCCC1 ZINC000793714633 1078262916 /nfs/dbraw/zinc/26/29/16/1078262916.db2.gz QQAJGNNEOSFGIH-FQEVSTJZSA-N 2 0 414.594 2.669 20 0 HFADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527383 1079436500 /nfs/dbraw/zinc/43/65/00/1079436500.db2.gz DYSZWYZEGJHTBL-MIZPHKNDSA-N 2 0 403.542 2.701 20 0 HFADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787907746 1076990635 /nfs/dbraw/zinc/99/06/35/1076990635.db2.gz DLHVRMNLBYWKMD-MWXLCCTBSA-N 2 0 406.615 2.528 20 0 HFADRP CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)C2)C1 ZINC000788732070 1077284440 /nfs/dbraw/zinc/28/44/40/1077284440.db2.gz CSGDRTVZGYEHAI-FQEVSTJZSA-N 2 0 401.551 2.742 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCOC)[C@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000792463721 1077858938 /nfs/dbraw/zinc/85/89/38/1077858938.db2.gz CJJDKVRGGCYDOB-KNQAVFIVSA-N 2 0 402.583 2.904 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc3ccccc3c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170391699 1077958354 /nfs/dbraw/zinc/95/83/54/1077958354.db2.gz DTDWMBNNIWUTGV-DIMUUIPOSA-N 2 0 416.566 2.508 20 0 HFADRP Cc1cc2cc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ccc2[nH]1 ZINC001170394156 1077959223 /nfs/dbraw/zinc/95/92/23/1077959223.db2.gz UVGRZAHAQSUCLS-KCJGJZAOSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(Cl)ccc2F)[C@@H](O)OC(C)(C)C)C1 ZINC001170396675 1077960340 /nfs/dbraw/zinc/96/03/40/1077960340.db2.gz PRQHAJFYOZQURF-CCZXDCJGSA-N 2 0 417.953 2.753 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccncc3c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170397033 1077960623 /nfs/dbraw/zinc/96/06/23/1077960623.db2.gz SPYVPLLTHSOQMA-CNFLGBHRSA-N 2 0 416.566 2.508 20 0 HFADRP O=C1O[C@@]2(CN1C[NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C[NH+]1CCC2CC1 ZINC000790362077 1078004417 /nfs/dbraw/zinc/00/44/17/1078004417.db2.gz JINOAFRMJAABQJ-OAQYLSRUSA-N 2 0 405.926 2.809 20 0 HFADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000790472462 1078039496 /nfs/dbraw/zinc/03/94/96/1078039496.db2.gz HDTLNEWANMPSRD-HXUWFJFHSA-N 2 0 401.551 2.878 20 0 HFADRP COc1ccc(-c2nn[nH]n2)cc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170527924 1080783050 /nfs/dbraw/zinc/78/30/50/1080783050.db2.gz DNQMFNPQWKEZFJ-UHFFFAOYSA-N 2 0 417.517 2.785 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H]4[C@H]3CC[C@@H]4OCc3ccncc3)c2)CC1 ZINC001164655115 719295503 /nfs/dbraw/zinc/29/55/03/719295503.db2.gz SGZWEKXWFRAMJG-GPXNEJASSA-N 2 0 424.545 2.903 20 0 HFADRP Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC001164771973 721056287 /nfs/dbraw/zinc/05/62/87/721056287.db2.gz NZKXYPXYYAFZTF-FGZHOGPDSA-N 2 0 421.545 2.638 20 0 HFADRP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(C)c(C3C[NH2+]C3)n2)CC1 ZINC001165031156 721845368 /nfs/dbraw/zinc/84/53/68/721845368.db2.gz VMYNBNZDRCTAAK-UHFFFAOYSA-N 2 0 411.550 2.590 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164981583 722099146 /nfs/dbraw/zinc/09/91/46/722099146.db2.gz LTHSWMALDKLMKV-NHCUHLMSSA-N 2 0 408.550 2.508 20 0 HFADRP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976463 722103027 /nfs/dbraw/zinc/10/30/27/722103027.db2.gz DGOJBXUPZGXQHO-NHCUHLMSSA-N 2 0 408.550 2.508 20 0 HFADRP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164976467 722103120 /nfs/dbraw/zinc/10/31/20/722103120.db2.gz DGOJBXUPZGXQHO-RTWAWAEBSA-N 2 0 408.550 2.508 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980902 722146402 /nfs/dbraw/zinc/14/64/02/722146402.db2.gz NMRSYQKYGBONIV-JTHBVZDNSA-N 2 0 407.562 2.798 20 0 HFADRP C[NH+]1CCN(c2ccc(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995028 722193205 /nfs/dbraw/zinc/19/32/05/722193205.db2.gz RLEGEVBLKDKBQN-QHCPKHFHSA-N 2 0 410.541 2.612 20 0 HFADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793812074 1078315085 /nfs/dbraw/zinc/31/50/85/1078315085.db2.gz KMDJURQXAICHIG-VKDVSPNTSA-N 2 0 406.615 2.526 20 0 HFADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001170443794 1078380977 /nfs/dbraw/zinc/38/09/77/1078380977.db2.gz TWEWKGKIFWXJKB-ISKFKSNPSA-N 2 0 403.611 2.908 20 0 HFADRP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804380465 1078440539 /nfs/dbraw/zinc/44/05/39/1078440539.db2.gz VVAFATHTHAVCSN-SFTDATJTSA-N 2 0 408.631 2.822 20 0 HFADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000746720894 1077008832 /nfs/dbraw/zinc/00/88/32/1077008832.db2.gz XOUPHHHIDIYTHT-QFIPXVFZSA-N 2 0 417.598 2.793 20 0 HFADRP CCOC(=O)C1([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788694510 1077274720 /nfs/dbraw/zinc/27/47/20/1077274720.db2.gz VBTKMLGDNKYYDH-KRWDZBQOSA-N 2 0 409.571 2.807 20 0 HFADRP Cc1cnc2c(N(CC[NH3+])c3cc[nH+]c(N4CCOCC4)c3)nc3ccc(C)cc3n12 ZINC001170148283 1077292564 /nfs/dbraw/zinc/29/25/64/1077292564.db2.gz COVHNTUFKBEQAN-UHFFFAOYSA-N 2 0 417.517 2.828 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@]3(CO)CC(C)C)cc2)CC1 ZINC000789513076 1077604755 /nfs/dbraw/zinc/60/47/55/1077604755.db2.gz DPOMKMKNCFIXFQ-HSZRJFAPSA-N 2 0 402.583 2.640 20 0 HFADRP C[N@H+](CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001170204933 1077905236 /nfs/dbraw/zinc/90/52/36/1077905236.db2.gz GEEVOANFPJWDDK-YIONKMFJSA-N 2 0 404.580 2.611 20 0 HFADRP CC(C)[NH+]1CCC(N2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)CC1 ZINC000790133018 1077953120 /nfs/dbraw/zinc/95/31/20/1077953120.db2.gz LNISLTNMTJYBPO-UHFFFAOYSA-N 2 0 401.599 2.572 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(Cl)ccc2F)[C@@H](O)OC(C)(C)C)C1 ZINC001170396680 1077960385 /nfs/dbraw/zinc/96/03/85/1077960385.db2.gz PRQHAJFYOZQURF-DKJBZYCGSA-N 2 0 417.953 2.753 20 0 HFADRP CCC[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000790377031 1078018498 /nfs/dbraw/zinc/01/84/98/1078018498.db2.gz WTIZXZYUYSEBTM-VWNXMTODSA-N 2 0 412.578 2.847 20 0 HFADRP COC(=O)c1c2cnn(C[NH+]3CCC(C[NH+](C)C)CC3)c2ccc1Br ZINC000790444675 1078033889 /nfs/dbraw/zinc/03/38/89/1078033889.db2.gz CZDSKLFUHABOIM-UHFFFAOYSA-N 2 0 409.328 2.817 20 0 HFADRP Cc1nccn1-c1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ncn1 ZINC001170525515 1080728021 /nfs/dbraw/zinc/72/80/21/1080728021.db2.gz QJYFRLKWBZWCBI-UHFFFAOYSA-N 2 0 401.518 2.880 20 0 HFADRP Cc1nccn1-c1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170525611 1080733688 /nfs/dbraw/zinc/73/36/88/1080733688.db2.gz KORXGVQUWWHMFA-UHFFFAOYSA-N 2 0 401.518 2.880 20 0 HFADRP COC(=O)[C@@H](N)Cc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170528383 1080800244 /nfs/dbraw/zinc/80/02/44/1080800244.db2.gz OQCDZQQUAJFRHD-QHCPKHFHSA-N 2 0 420.557 2.639 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164825905 720337198 /nfs/dbraw/zinc/33/71/98/720337198.db2.gz JWWFWORAPYPYNI-VXKWHMMOSA-N 2 0 411.594 2.589 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840659 720505005 /nfs/dbraw/zinc/50/50/05/720505005.db2.gz XESCOAQDZAFRQD-NJDAHSKKSA-N 2 0 409.582 2.960 20 0 HFADRP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(N2CCCC2)[nH+]1 ZINC001164833954 720513369 /nfs/dbraw/zinc/51/33/69/720513369.db2.gz DXJNCYKAGKGJNN-PWRODBHTSA-N 2 0 409.582 2.960 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741788 720850674 /nfs/dbraw/zinc/85/06/74/720850674.db2.gz FOOMROASVPABBI-AKIFATBCSA-N 2 0 421.593 2.647 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741798 720850866 /nfs/dbraw/zinc/85/08/66/720850866.db2.gz FOOMROASVPABBI-YMPZKCBVSA-N 2 0 421.593 2.647 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C[C@H](Oc5cccnc5)CO4)C3)c2)CC1 ZINC001164916167 721807790 /nfs/dbraw/zinc/80/77/90/721807790.db2.gz OHOJSTSNLHWBMT-GMAHTHKFSA-N 2 0 410.518 2.766 20 0 HFADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790468930 1078045267 /nfs/dbraw/zinc/04/52/67/1078045267.db2.gz DWDIJHYIUQQCRH-UHFFFAOYSA-N 2 0 423.561 2.724 20 0 HFADRP C[NH+](C)CCNC(=S)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000793258340 1078112319 /nfs/dbraw/zinc/11/23/19/1078112319.db2.gz XWGKBEGNLBYNNK-JOCHJYFZSA-N 2 0 411.619 2.984 20 0 HFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000793907628 1078334317 /nfs/dbraw/zinc/33/43/17/1078334317.db2.gz GDRCAAHPPVSIJY-IBGZPJMESA-N 2 0 420.642 2.774 20 0 HFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793912325 1078335947 /nfs/dbraw/zinc/33/59/47/1078335947.db2.gz PDFZEPMFBDDAKC-KDURUIRLSA-N 2 0 416.610 2.579 20 0 HFADRP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001170445726 1078417282 /nfs/dbraw/zinc/41/72/82/1078417282.db2.gz YEOPNXYCEWISBS-IBGZPJMESA-N 2 0 414.550 2.917 20 0 HFADRP CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000747226641 1078880241 /nfs/dbraw/zinc/88/02/41/1078880241.db2.gz IYXMMZYXEGRNFA-JOCHJYFZSA-N 2 0 400.567 2.683 20 0 HFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000805636049 1079189589 /nfs/dbraw/zinc/18/95/89/1079189589.db2.gz JKUQYXCHOIQTLU-QNGMFEMESA-N 2 0 420.642 2.917 20 0 HFADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC001130527384 1079436524 /nfs/dbraw/zinc/43/65/24/1079436524.db2.gz DYSZWYZEGJHTBL-SXWKCWPCSA-N 2 0 403.542 2.701 20 0 HFADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787708207 1076921095 /nfs/dbraw/zinc/92/10/95/1076921095.db2.gz TXOCXZNVJKZLEG-BGYRXZFFSA-N 2 0 420.642 2.632 20 0 HFADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000788459940 1077166402 /nfs/dbraw/zinc/16/64/02/1077166402.db2.gz NDNAKEVRZPAXJC-UHFFFAOYSA-N 2 0 414.594 2.525 20 0 HFADRP CN(C)c1ccc(NC(=O)CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000792276702 1077791228 /nfs/dbraw/zinc/79/12/28/1077791228.db2.gz BLJWVBSNFDGJKQ-UHFFFAOYSA-N 2 0 402.583 2.906 20 0 HFADRP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H](C)N1C(=O)CCCC[NH+]1CCCC1 ZINC000790029750 1077919403 /nfs/dbraw/zinc/91/94/03/1077919403.db2.gz VVBHMNGLTONRQY-SZPZYZBQSA-N 2 0 420.642 2.966 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccoc3c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170394224 1077959256 /nfs/dbraw/zinc/95/92/56/1077959256.db2.gz VIVQHRNXBWUWNY-PAMRQWRISA-N 2 0 405.539 2.706 20 0 HFADRP Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc2cc[nH]c21 ZINC001170396702 1077960336 /nfs/dbraw/zinc/96/03/36/1077960336.db2.gz DJLSFXPJVGIBLQ-HYTALWEGSA-N 2 0 418.582 2.750 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[NH+](Cc3cccc4ccccc43)CC1)C[NH+]1CCC2CC1 ZINC000790372039 1078016820 /nfs/dbraw/zinc/01/68/20/1078016820.db2.gz XMQDZAVJIDDQFJ-RUZDIDTESA-N 2 0 420.557 2.832 20 0 HFADRP C[C@@H](c1ccc(Cl)cc1)N1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790372958 1078016978 /nfs/dbraw/zinc/01/69/78/1078016978.db2.gz XKRCYIXNWPMOPL-HTAPYJJXSA-N 2 0 418.969 2.893 20 0 HFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374023 1078017650 /nfs/dbraw/zinc/01/76/50/1078017650.db2.gz SYPFTTKBPRRIEJ-XXBNENTESA-N 2 0 404.599 2.837 20 0 HFADRP CCOC(=O)C1=C(Nc2ccc3c(n2)OCC[NH2+]C3)CC[N@H+](Cc2ccccc2)C1 ZINC001170522090 1080497163 /nfs/dbraw/zinc/49/71/63/1080497163.db2.gz XDGDPBJRSMQSDT-UHFFFAOYSA-N 2 0 408.502 2.699 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(N4CCOCC4)cn3)c3ccccc23)CC1 ZINC001170525534 1080729428 /nfs/dbraw/zinc/72/94/28/1080729428.db2.gz RHIFVGROOXPUEV-UHFFFAOYSA-N 2 0 405.546 2.828 20 0 HFADRP COC(=O)c1cc(OC)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170528150 1080784872 /nfs/dbraw/zinc/78/48/72/1080784872.db2.gz ISGPCFWWMBYMTQ-UHFFFAOYSA-N 2 0 408.502 2.786 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810393 720095750 /nfs/dbraw/zinc/09/57/50/720095750.db2.gz LMSJENCUYQTASQ-AVRDEDQJSA-N 2 0 420.001 2.782 20 0 HFADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH+]cc21 ZINC001164817983 720158880 /nfs/dbraw/zinc/15/88/80/720158880.db2.gz QUXITNFNJYFGHX-GAJHUEQPSA-N 2 0 412.534 2.924 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741769 720851102 /nfs/dbraw/zinc/85/11/02/720851102.db2.gz FOOMROASVPABBI-ACIOBRDBSA-N 2 0 421.593 2.647 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4cncn4C[C@H](COCC4CC4)C3)c2)CC1 ZINC001164759282 720981822 /nfs/dbraw/zinc/98/18/22/720981822.db2.gz ZOHCHFNBNLOQMP-LJQANCHMSA-N 2 0 411.550 2.814 20 0 HFADRP C[N@H+](Cc1ccc(N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)nc1)C1CC1 ZINC001164762327 721041128 /nfs/dbraw/zinc/04/11/28/721041128.db2.gz HVQHVYXAMPXXDI-UHFFFAOYSA-N 2 0 403.534 2.751 20 0 HFADRP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771808 721143723 /nfs/dbraw/zinc/14/37/23/721143723.db2.gz UFDXBPCRFDGVKM-RTBURBONSA-N 2 0 407.518 2.944 20 0 HFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164783224 721451899 /nfs/dbraw/zinc/45/18/99/721451899.db2.gz ACKLZDZKZOOUIJ-HXUWFJFHSA-N 2 0 402.583 2.882 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923233 721840667 /nfs/dbraw/zinc/84/06/67/721840667.db2.gz UGIUVURHFUYCBA-NTKDMRAZSA-N 2 0 424.545 2.619 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2)c1 ZINC001164977051 722138663 /nfs/dbraw/zinc/13/86/63/722138663.db2.gz IDYXZHOVAYBZOC-DHIUTWEWSA-N 2 0 407.562 2.800 20 0 HFADRP O=C(c1cccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC001164994096 722204183 /nfs/dbraw/zinc/20/41/83/722204183.db2.gz FSRIQLSXSYBFTR-XMMPIXPASA-N 2 0 423.536 2.511 20 0 HFADRP C[C@H](COC(=O)c1ccc2c[nH+]cn2c1)O[C@@H](C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793280940 1078126657 /nfs/dbraw/zinc/12/66/57/1078126657.db2.gz YQAAIQWWOQJHRE-IYBDPMFKSA-N 2 0 422.441 2.789 20 0 HFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931357 1078341230 /nfs/dbraw/zinc/34/12/30/1078341230.db2.gz MUYIUOSVEQWSMQ-CVDCTZTESA-N 2 0 422.573 2.658 20 0 HFADRP O=C(OCC1(COC(=O)C2CC[NH+](C3CC3)CC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000805902364 1079327621 /nfs/dbraw/zinc/32/76/21/1079327621.db2.gz PINFRKFMYMJDHV-UHFFFAOYSA-N 2 0 404.551 2.602 20 0 HFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300969 1076748815 /nfs/dbraw/zinc/74/88/15/1076748815.db2.gz ZYODKCHGPKNUDT-HMFYCAOWSA-N 2 0 416.587 2.870 20 0 HFADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000792549809 1077900112 /nfs/dbraw/zinc/90/01/12/1077900112.db2.gz GIGBFGBFDDOPAJ-UHFFFAOYSA-N 2 0 406.486 2.534 20 0 HFADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170204395 1077913111 /nfs/dbraw/zinc/91/31/11/1077913111.db2.gz PVXFILJGVMQXIY-SCTDSRPQSA-N 2 0 401.507 2.695 20 0 HFADRP Cc1c[nH]c2c1cccc2N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170390351 1077958409 /nfs/dbraw/zinc/95/84/09/1077958409.db2.gz JANAPCZTFYZQTG-CFNFZEJTSA-N 2 0 418.582 2.750 20 0 HFADRP Cc1ccc2[nH]ccc2c1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392989 1077958558 /nfs/dbraw/zinc/95/85/58/1077958558.db2.gz JCOCANCTKOLPNI-BULJTUNSSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccoc3c2)[C@H](O)OC(C)(C)C)C1 ZINC001170394226 1077959217 /nfs/dbraw/zinc/95/92/17/1077959217.db2.gz VIVQHRNXBWUWNY-WCUWYRCVSA-N 2 0 405.539 2.706 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CCCC3)[C@H](O)OC(C)(C)C)C1 ZINC001170395794 1077959989 /nfs/dbraw/zinc/95/99/89/1077959989.db2.gz NOCDZDOJBYVDHU-TZUGMZLSSA-N 2 0 419.610 2.839 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3[nH]cc(F)c32)[C@@H](O)OC(C)(C)C)C1 ZINC001170400356 1077965020 /nfs/dbraw/zinc/96/50/20/1077965020.db2.gz RQZWVHSHNGUTRN-JYDIPVGNSA-N 2 0 422.545 2.580 20 0 HFADRP C[NH+]1CCN(c2cc(C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)ccn2)CC1 ZINC000790463568 1078028313 /nfs/dbraw/zinc/02/83/13/1078028313.db2.gz NJXMFMHPPQFZBJ-UHFFFAOYSA-N 2 0 423.561 2.724 20 0 HFADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000806814771 1080026934 /nfs/dbraw/zinc/02/69/34/1080026934.db2.gz VCXUQNXEKBTANW-BVYCBKJFSA-N 2 0 400.567 2.592 20 0 HFADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164617577 719011280 /nfs/dbraw/zinc/01/12/80/719011280.db2.gz OQDAMEIWWTZDPW-YKSBVNFPSA-N 2 0 412.578 2.827 20 0 HFADRP CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C[NH+]3CCCC3)CC2)CC1 ZINC001164617932 719034385 /nfs/dbraw/zinc/03/43/85/719034385.db2.gz PKGBYFISRZBTFZ-UHFFFAOYSA-N 2 0 400.567 2.921 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822863 720343999 /nfs/dbraw/zinc/34/39/99/720343999.db2.gz FZMGHEYXHBQGOA-YADHBBJMSA-N 2 0 411.594 2.587 20 0 HFADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750201 720858246 /nfs/dbraw/zinc/85/82/46/720858246.db2.gz OQNTTWRAEAHCGW-RJGXRXQPSA-N 2 0 421.593 2.648 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859235 720887423 /nfs/dbraw/zinc/88/74/23/720887423.db2.gz MCPWOXRKFFQZFW-BHDDXSALSA-N 2 0 402.583 2.802 20 0 HFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164785820 721464103 /nfs/dbraw/zinc/46/41/03/721464103.db2.gz NSVLIGVEVQODNT-NRFANRHFSA-N 2 0 402.583 2.583 20 0 HFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001164791309 721469588 /nfs/dbraw/zinc/46/95/88/721469588.db2.gz WXXLMNGORLGOEP-JOCHJYFZSA-N 2 0 416.610 2.877 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923231 721840626 /nfs/dbraw/zinc/84/06/26/721840626.db2.gz UGIUVURHFUYCBA-CYFREDJKSA-N 2 0 424.545 2.619 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3C2)c1 ZINC001164977053 722139187 /nfs/dbraw/zinc/13/91/87/722139187.db2.gz IDYXZHOVAYBZOC-PKTZIBPZSA-N 2 0 407.562 2.800 20 0 HFADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000747143820 1078260599 /nfs/dbraw/zinc/26/05/99/1078260599.db2.gz BPSTXSAWRBREMO-BAGYTPMASA-N 2 0 403.567 2.731 20 0 HFADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000793718743 1078264543 /nfs/dbraw/zinc/26/45/43/1078264543.db2.gz KDDNXMCBNXZDSW-LZBANZJXSA-N 2 0 414.594 2.627 20 0 HFADRP Cc1cc(C)c(N2C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)c(C)c1 ZINC000747225857 1078806444 /nfs/dbraw/zinc/80/64/44/1078806444.db2.gz AJVNNYBJQJOJDF-NRFANRHFSA-N 2 0 416.610 2.697 20 0 HFADRP Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2ccc(=NC(=O)C3CCC([C@@H](C)[NH3+])CC3)cc2)n1 ZINC001170490971 1079302067 /nfs/dbraw/zinc/30/20/67/1079302067.db2.gz YMQMIHSDEJPODD-SGZDXZSOSA-N 2 0 422.577 2.624 20 0 HFADRP C[N@@H+]1CC[C@H](c2ccc(N(CC[NH3+])S(=O)(=O)c3cccc4cnccc43)cc2)C1 ZINC001170075700 1076894597 /nfs/dbraw/zinc/89/45/97/1076894597.db2.gz GIKFHSKRZHVAPZ-IBGZPJMESA-N 2 0 410.543 2.808 20 0 HFADRP Cc1cnc2c(N(CC[NH3+])c3c[nH+]ccc3N3CCOCC3)nc3ccc(C)cc3n12 ZINC001170150360 1077339988 /nfs/dbraw/zinc/33/99/88/1077339988.db2.gz UOPLEQJYZIYUAJ-UHFFFAOYSA-N 2 0 417.517 2.828 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3[nH]ccc32)[C@H](O)OC(C)(C)C)C1 ZINC001170389351 1077957937 /nfs/dbraw/zinc/95/79/37/1077957937.db2.gz CCCJFZZWUZKEQA-NLWWONFHSA-N 2 0 422.545 2.580 20 0 HFADRP CC1=Cc2cccc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2C1 ZINC001170392011 1077958379 /nfs/dbraw/zinc/95/83/79/1077958379.db2.gz OJSVNSZOMLGXBS-WNCSLHQUSA-N 2 0 417.594 2.919 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc3ccccc3c2)[C@H](O)OC(C)(C)C)C1 ZINC001170391701 1077958387 /nfs/dbraw/zinc/95/83/87/1077958387.db2.gz DTDWMBNNIWUTGV-XXBFSGCESA-N 2 0 416.566 2.508 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CCCC3)[C@@H](O)OC(C)(C)C)C1 ZINC001170395793 1077959978 /nfs/dbraw/zinc/95/99/78/1077959978.db2.gz NOCDZDOJBYVDHU-JYFICSRFSA-N 2 0 419.610 2.839 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(C)(C)C)ccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170400571 1077965005 /nfs/dbraw/zinc/96/50/05/1077965005.db2.gz SUDCJXGCOGTOLG-PAMRQWRISA-N 2 0 422.614 2.653 20 0 HFADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364057 1078004820 /nfs/dbraw/zinc/00/48/20/1078004820.db2.gz DGCAWXNLVNCOMT-QPPBQGQZSA-N 2 0 412.578 2.705 20 0 HFADRP CN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000790382170 1078009561 /nfs/dbraw/zinc/00/95/61/1078009561.db2.gz FBEADMPVTAXYKX-SJBKTWHCSA-N 2 0 403.498 2.852 20 0 HFADRP CCOC(=O)C1=C(Nc2ccc(OC3C[NH2+]C3)cn2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522494 1080577507 /nfs/dbraw/zinc/57/75/07/1080577507.db2.gz MKVMLRZLLHWDQX-UHFFFAOYSA-N 2 0 408.502 2.567 20 0 HFADRP COC(=O)c1cc(Cl)nnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170524162 1080599853 /nfs/dbraw/zinc/59/98/53/1080599853.db2.gz GGAOZUPAEZQSMR-UHFFFAOYSA-N 2 0 413.909 2.826 20 0 HFADRP Cc1cn(-c2cc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)ncn2)cn1 ZINC001170523859 1080599906 /nfs/dbraw/zinc/59/99/06/1080599906.db2.gz GBVNIQYHLOEZDR-UHFFFAOYSA-N 2 0 401.518 2.880 20 0 HFADRP NC(=O)C1(c2ccc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)nc2)CC1 ZINC001170526650 1080753213 /nfs/dbraw/zinc/75/32/13/1080753213.db2.gz UJXFZDTWDYAPGU-UHFFFAOYSA-N 2 0 403.530 2.508 20 0 HFADRP [NH3+][C@@H]1[C@H]2CN(c3c4c(cnc3Cl)C3(CC[NH+](Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164440597 718985501 /nfs/dbraw/zinc/98/55/01/718985501.db2.gz PSUANWFZUYUUOG-MNZLEMJZSA-N 2 0 424.932 2.790 20 0 HFADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164617564 719011324 /nfs/dbraw/zinc/01/13/24/719011324.db2.gz OQDAMEIWWTZDPW-GBXCKJPGSA-N 2 0 412.578 2.827 20 0 HFADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)cs1 ZINC001164693099 719811909 /nfs/dbraw/zinc/81/19/09/719811909.db2.gz UOMXHASGQCAWIG-UHFFFAOYSA-N 2 0 412.607 2.891 20 0 HFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164711113 720099664 /nfs/dbraw/zinc/09/96/64/720099664.db2.gz OKYUOBVBHMYUBS-OAQYLSRUSA-N 2 0 407.562 2.630 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164825906 720337393 /nfs/dbraw/zinc/33/73/93/720337393.db2.gz JWWFWORAPYPYNI-YADHBBJMSA-N 2 0 411.594 2.589 20 0 HFADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164750359 720845541 /nfs/dbraw/zinc/84/55/41/720845541.db2.gz XIFWKOIULOPTDG-VJBWXMMDSA-N 2 0 421.593 2.648 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3C[NH+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859232 720887527 /nfs/dbraw/zinc/88/75/27/720887527.db2.gz MCPWOXRKFFQZFW-BDTNDASRSA-N 2 0 402.583 2.802 20 0 HFADRP Cc1cccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778010 721329458 /nfs/dbraw/zinc/32/94/58/721329458.db2.gz SNYORAPQTGBRCQ-XUZZJYLKSA-N 2 0 407.562 2.801 20 0 HFADRP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164784136 721370393 /nfs/dbraw/zinc/37/03/93/721370393.db2.gz QLYWYIBTKVTXAC-QHCPKHFHSA-N 2 0 413.566 2.867 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164805665 721575873 /nfs/dbraw/zinc/57/58/73/721575873.db2.gz OKCHQVHZGWMKAW-AKFKNWHVSA-N 2 0 407.562 2.941 20 0 HFADRP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CCCO[C@@H]21 ZINC001164812239 721583198 /nfs/dbraw/zinc/58/31/98/721583198.db2.gz ZRBSUOZLEQKNED-GPXNEJASSA-N 2 0 407.562 2.939 20 0 HFADRP COc1cc2cc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c2cc1OC ZINC001165011569 721739141 /nfs/dbraw/zinc/73/91/41/721739141.db2.gz QYABWXAQHKHDGS-UHFFFAOYSA-N 2 0 412.534 2.775 20 0 HFADRP Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1 ZINC001164912136 721739194 /nfs/dbraw/zinc/73/91/94/721739194.db2.gz MBUSWUSWXFZODM-OAQYLSRUSA-N 2 0 414.504 2.605 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@H]43)c2)CC1 ZINC001165015102 721773211 /nfs/dbraw/zinc/77/32/11/721773211.db2.gz IOTYVHBNBRCRSN-FXAWDEMLSA-N 2 0 410.518 2.889 20 0 HFADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000793867391 1078327811 /nfs/dbraw/zinc/32/78/11/1078327811.db2.gz KGEWLRMGCKZOEQ-UHFFFAOYSA-N 2 0 414.594 2.668 20 0 HFADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931358 1078341195 /nfs/dbraw/zinc/34/11/95/1078341195.db2.gz MUYIUOSVEQWSMQ-WMZHIEFXSA-N 2 0 422.573 2.658 20 0 HFADRP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001170445728 1078417323 /nfs/dbraw/zinc/41/73/23/1078417323.db2.gz YEOPNXYCEWISBS-LJQANCHMSA-N 2 0 414.550 2.917 20 0 HFADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000804698319 1078539478 /nfs/dbraw/zinc/53/94/78/1078539478.db2.gz YAUBCJXRWGKQFL-IBGZPJMESA-N 2 0 424.589 2.952 20 0 HFADRP Cc1ccc(C)c(N2N=C(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC2=O)c1 ZINC000747229719 1078931476 /nfs/dbraw/zinc/93/14/76/1078931476.db2.gz WOPKUIUVPKVSKA-UHFFFAOYSA-N 2 0 415.582 2.518 20 0 HFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491102 1079306283 /nfs/dbraw/zinc/30/62/83/1079306283.db2.gz SCQJKHZUQIMGIQ-WMZOPIPTSA-N 2 0 416.347 2.857 20 0 HFADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000746767152 1077310359 /nfs/dbraw/zinc/31/03/59/1077310359.db2.gz VBSLFNREPNYVFZ-VQTJNVASSA-N 2 0 408.974 2.885 20 0 HFADRP CN(C)c1cccc2c1cccc2S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000791419032 1077404057 /nfs/dbraw/zinc/40/40/57/1077404057.db2.gz SRNUKFMFZGOMMY-UHFFFAOYSA-N 2 0 420.623 2.800 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@]3(CO)CC(C)C)cc2)CC1 ZINC000789513077 1077604842 /nfs/dbraw/zinc/60/48/42/1077604842.db2.gz DPOMKMKNCFIXFQ-QHCPKHFHSA-N 2 0 402.583 2.640 20 0 HFADRP Cc1ccccc1C[NH+]1CCC(NC(=O)COC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000792563096 1077912141 /nfs/dbraw/zinc/91/21/41/1077912141.db2.gz CAKXRFWCJXIONI-UHFFFAOYSA-N 2 0 406.486 2.580 20 0 HFADRP Cc1cc(Cl)cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170391139 1077958352 /nfs/dbraw/zinc/95/83/52/1077958352.db2.gz LESMDTYAAAAPJE-QOOKETHRSA-N 2 0 413.990 2.922 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc3ccccc3c2)[C@H](O)OC(C)(C)C)C1 ZINC001170391700 1077958360 /nfs/dbraw/zinc/95/83/60/1077958360.db2.gz DTDWMBNNIWUTGV-WROXGLCASA-N 2 0 416.566 2.508 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccoc3c2)[C@H](O)OC(C)(C)C)C1 ZINC001170394220 1077959241 /nfs/dbraw/zinc/95/92/41/1077959241.db2.gz VIVQHRNXBWUWNY-NMKBPFOZSA-N 2 0 405.539 2.706 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccccc2C2CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001170400565 1077964999 /nfs/dbraw/zinc/96/49/99/1077964999.db2.gz STCUAXJLLMQBJY-CPNAEOBWSA-N 2 0 405.583 2.837 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3[nH]cc(F)c32)[C@H](O)OC(C)(C)C)C1 ZINC001170400352 1077965030 /nfs/dbraw/zinc/96/50/30/1077965030.db2.gz RQZWVHSHNGUTRN-DMQNSSDXSA-N 2 0 422.545 2.580 20 0 HFADRP CCC[C@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000790377024 1078018362 /nfs/dbraw/zinc/01/83/62/1078018362.db2.gz WTIZXZYUYSEBTM-UPVQGACJSA-N 2 0 412.578 2.847 20 0 HFADRP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000806738577 1079929656 /nfs/dbraw/zinc/92/96/56/1079929656.db2.gz ILJVYXWFWFGKCG-VSKRKVRLSA-N 2 0 402.583 2.650 20 0 HFADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000806814773 1080026964 /nfs/dbraw/zinc/02/69/64/1080026964.db2.gz VCXUQNXEKBTANW-COPCDDAFSA-N 2 0 400.567 2.592 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3cncc(C(=O)N4CCCC4)n3)c3ccccc23)CC1 ZINC001170524803 1080632835 /nfs/dbraw/zinc/63/28/35/1080632835.db2.gz MVSIJPQHTRUULW-UHFFFAOYSA-N 2 0 418.545 2.622 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3nc(Cl)nc4c3CC(=O)N4)c3ccccc23)CC1 ZINC001170525537 1080729369 /nfs/dbraw/zinc/72/93/69/1080729369.db2.gz RMKVJFLXVRJLFM-UHFFFAOYSA-N 2 0 410.909 2.534 20 0 HFADRP COC(=O)c1nc2ccc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)[nH]c-2n1 ZINC001170527926 1080783229 /nfs/dbraw/zinc/78/32/29/1080783229.db2.gz DOFCKZUPETZTSC-UHFFFAOYSA-N 2 0 418.501 2.654 20 0 HFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@@H]21 ZINC001164835308 720586135 /nfs/dbraw/zinc/58/61/35/720586135.db2.gz BCCWLDOYBGCGRB-HJNYFJLDSA-N 3 0 423.609 2.583 20 0 HFADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164839726 720705281 /nfs/dbraw/zinc/70/52/81/720705281.db2.gz MQMPGJOFFHNVER-QHCPKHFHSA-N 2 0 421.589 2.751 20 0 HFADRP c1nc2n(c1CN(c1ccccn1)c1ccc(C[NH+]3CCCC3)cn1)CC[NH2+]CC2 ZINC001164761405 721041647 /nfs/dbraw/zinc/04/16/47/721041647.db2.gz FYVSNBUFTKVIIS-UHFFFAOYSA-N 2 0 403.534 2.753 20 0 HFADRP Cc1cccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)c1 ZINC001164778011 721329906 /nfs/dbraw/zinc/32/99/06/721329906.db2.gz SNYORAPQTGBRCQ-ZJSXRUAMSA-N 2 0 407.562 2.801 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164805667 721576308 /nfs/dbraw/zinc/57/63/08/721576308.db2.gz OKCHQVHZGWMKAW-CQOQZXRMSA-N 2 0 407.562 2.941 20 0 HFADRP C[NH+]1CCN(c2cccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)CC1 ZINC001164955643 722019372 /nfs/dbraw/zinc/01/93/72/722019372.db2.gz LSXIPNNKXDLHTQ-UHFFFAOYSA-N 2 0 406.578 2.721 20 0 HFADRP c1cn(-c2cc[nH+]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c2)cn1 ZINC001164962332 722060851 /nfs/dbraw/zinc/06/08/51/722060851.db2.gz RBWVCKDAEYWHKK-UHFFFAOYSA-N 2 0 404.518 2.781 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3C2)c1 ZINC001164973862 722155291 /nfs/dbraw/zinc/15/52/91/722155291.db2.gz NEOSSUBVRGTBLN-FYYLOGMGSA-N 2 0 407.562 2.800 20 0 HFADRP C[C@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[NH+]1CCCCC1 ZINC000793714634 1078262910 /nfs/dbraw/zinc/26/29/10/1078262910.db2.gz QQAJGNNEOSFGIH-HXUWFJFHSA-N 2 0 414.594 2.669 20 0 HFADRP CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000747226642 1078880259 /nfs/dbraw/zinc/88/02/59/1078880259.db2.gz IYXMMZYXEGRNFA-QFIPXVFZSA-N 2 0 400.567 2.683 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3sccc3n2)[C@H](O)OC(C)(C)C)C1 ZINC001170386555 1077957398 /nfs/dbraw/zinc/95/73/98/1077957398.db2.gz DKTYQBWJQQEWEJ-ZJHALOJTSA-N 2 0 422.595 2.570 20 0 HFADRP Cc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2[nH]ccc21 ZINC001170388944 1077957876 /nfs/dbraw/zinc/95/78/76/1077957876.db2.gz AUQYSLKOKQFWNH-CFNFZEJTSA-N 2 0 418.582 2.750 20 0 HFADRP Cc1cc(Cl)cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170391141 1077958405 /nfs/dbraw/zinc/95/84/05/1077958405.db2.gz LESMDTYAAAAPJE-UPWFSPPHSA-N 2 0 413.990 2.922 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(C)(C)C)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170397263 1077960842 /nfs/dbraw/zinc/96/08/42/1077960842.db2.gz HDMZPBAMSASBFR-OMBLBEMTSA-N 2 0 422.614 2.653 20 0 HFADRP CN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000790382172 1078009391 /nfs/dbraw/zinc/00/93/91/1078009391.db2.gz FBEADMPVTAXYKX-URVUXULASA-N 2 0 403.498 2.852 20 0 HFADRP CC(C)C1CCC([NH+]2CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)CC1 ZINC000790366228 1078015434 /nfs/dbraw/zinc/01/54/34/1078015434.db2.gz HMJPHXPLUAECNS-POOLCLQXSA-N 2 0 404.599 2.693 20 0 HFADRP CCN1CC[NH+](CCCC[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790461935 1078027568 /nfs/dbraw/zinc/02/75/68/1078027568.db2.gz AEIIOEPREGXJDR-UHFFFAOYSA-N 2 0 402.583 2.795 20 0 HFADRP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000806738574 1079929620 /nfs/dbraw/zinc/92/96/20/1079929620.db2.gz ILJVYXWFWFGKCG-BDTNDASRSA-N 2 0 402.583 2.650 20 0 HFADRP COc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1NC1CC1 ZINC001170522976 1080564013 /nfs/dbraw/zinc/56/40/13/1080564013.db2.gz VPRXXUHICOGDMS-UHFFFAOYSA-N 2 0 406.534 2.969 20 0 HFADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164617570 719011263 /nfs/dbraw/zinc/01/12/63/719011263.db2.gz OQDAMEIWWTZDPW-HYBUGGRVSA-N 2 0 412.578 2.827 20 0 HFADRP CC(C)n1nc(CN(C)C)c2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164651795 719317055 /nfs/dbraw/zinc/31/70/55/719317055.db2.gz HXPCXLDOHUCRJJ-UHFFFAOYSA-N 2 0 412.582 2.956 20 0 HFADRP CC(C)N(C)C(=O)c1noc2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164695221 719787593 /nfs/dbraw/zinc/78/75/93/719787593.db2.gz KNXHXNIGGAKXTO-UHFFFAOYSA-N 2 0 413.522 2.586 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@@H]21 ZINC001165026623 721804168 /nfs/dbraw/zinc/80/41/68/721804168.db2.gz ROLFYEFPJJAWDU-ZAAXVRCTSA-N 2 0 412.969 2.908 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3C2)c1 ZINC001164977054 722139219 /nfs/dbraw/zinc/13/92/19/722139219.db2.gz IDYXZHOVAYBZOC-XZOQPEGZSA-N 2 0 407.562 2.800 20 0 HFADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000793076908 1078063397 /nfs/dbraw/zinc/06/33/97/1078063397.db2.gz WIIAHWZKPMMIIM-UHFFFAOYSA-N 2 0 403.571 2.968 20 0 HFADRP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793700804 1078273763 /nfs/dbraw/zinc/27/37/63/1078273763.db2.gz OZBLZWGUFDZBTH-JAXLGGSGSA-N 2 0 414.594 2.661 20 0 HFADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000793850353 1078323013 /nfs/dbraw/zinc/32/30/13/1078323013.db2.gz XEQCBHJOEYNUOX-MHJFOBGBSA-N 2 0 418.582 2.692 20 0 HFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931359 1078341277 /nfs/dbraw/zinc/34/12/77/1078341277.db2.gz MUYIUOSVEQWSMQ-XXBNENTESA-N 2 0 422.573 2.658 20 0 HFADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793912157 1078336100 /nfs/dbraw/zinc/33/61/00/1078336100.db2.gz OAFPBYWGXZKUGZ-IKJYFWGWSA-N 2 0 420.642 2.772 20 0 HFADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000805635961 1079189534 /nfs/dbraw/zinc/18/95/34/1079189534.db2.gz HPSNOVJDYUXLLI-LJQANCHMSA-N 2 0 416.610 2.723 20 0 HFADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000805635960 1079189093 /nfs/dbraw/zinc/18/90/93/1079189093.db2.gz HPSNOVJDYUXLLI-IBGZPJMESA-N 2 0 416.610 2.723 20 0 HFADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787708209 1076921088 /nfs/dbraw/zinc/92/10/88/1076921088.db2.gz TXOCXZNVJKZLEG-PMACEKPBSA-N 2 0 420.642 2.632 20 0 HFADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000746720886 1077008735 /nfs/dbraw/zinc/00/87/35/1077008735.db2.gz XOUPHHHIDIYTHT-JOCHJYFZSA-N 2 0 417.598 2.793 20 0 HFADRP CCOC(=O)[C@@H]1[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000788613917 1077228058 /nfs/dbraw/zinc/22/80/58/1077228058.db2.gz YQDIWCJQDWDFJO-MOPGFXCFSA-N 2 0 423.529 2.918 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CC=C3)[C@H](O)OC(C)(C)C)C1 ZINC001170394101 1077959019 /nfs/dbraw/zinc/95/90/19/1077959019.db2.gz UGDACMLPNOMOOL-XXBFSGCESA-N 2 0 403.567 2.529 20 0 HFADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000790364061 1078005109 /nfs/dbraw/zinc/00/51/09/1078005109.db2.gz DGCAWXNLVNCOMT-URXFXBBRSA-N 2 0 412.578 2.705 20 0 HFADRP O=C1O[C@]2(CN1CN1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372497 1078017391 /nfs/dbraw/zinc/01/73/91/1078017391.db2.gz WLHZYPXYABRUES-DQEYMECFSA-N 2 0 424.589 2.849 20 0 HFADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374012 1078017596 /nfs/dbraw/zinc/01/75/96/1078017596.db2.gz SYPFTTKBPRRIEJ-AUSIDOKSSA-N 2 0 404.599 2.837 20 0 HFADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)C2)CC1 ZINC000790469895 1078038632 /nfs/dbraw/zinc/03/86/32/1078038632.db2.gz DXLHITUGNAGXBF-OAQYLSRUSA-N 2 0 400.567 2.546 20 0 HFADRP Cc1nccn1-c1cncc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526652 1080753171 /nfs/dbraw/zinc/75/31/71/1080753171.db2.gz UMJLIRXADUYMSN-UHFFFAOYSA-N 2 0 401.518 2.880 20 0 HFADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164617780 719011347 /nfs/dbraw/zinc/01/13/47/719011347.db2.gz PORDJWSAANBNIP-RDPSFJRHSA-N 2 0 412.578 2.825 20 0 HFADRP CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COC)[nH+]cc21 ZINC001164817986 720158039 /nfs/dbraw/zinc/15/80/39/720158039.db2.gz QUXITNFNJYFGHX-SBUREZEXSA-N 2 0 412.534 2.924 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822861 720343729 /nfs/dbraw/zinc/34/37/29/720343729.db2.gz FZMGHEYXHBQGOA-VXKWHMMOSA-N 2 0 411.594 2.587 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164829348 720352960 /nfs/dbraw/zinc/35/29/60/720352960.db2.gz RMADNKVYQHXJOD-FCHUYYIVSA-N 2 0 411.594 2.589 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164829354 720353474 /nfs/dbraw/zinc/35/34/74/720353474.db2.gz RMADNKVYQHXJOD-YADHBBJMSA-N 2 0 411.594 2.589 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840664 720504340 /nfs/dbraw/zinc/50/43/40/720504340.db2.gz XESCOAQDZAFRQD-PWRODBHTSA-N 2 0 409.582 2.960 20 0 HFADRP CC(C)[N@H+]1[C@@H]2CCN(c3nccc(C4CC[NH2+]CC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835865 720575342 /nfs/dbraw/zinc/57/53/42/720575342.db2.gz IPZVJQLELVTSKL-RZUBCFFCSA-N 2 0 409.582 2.518 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164748795 720801001 /nfs/dbraw/zinc/80/10/01/720801001.db2.gz RLDKGGOLSGOYLL-TUNNFDKTSA-N 2 0 408.550 2.760 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4cncn4C[C@@H](COCC4CC4)C3)c2)CC1 ZINC001164759281 720982545 /nfs/dbraw/zinc/98/25/45/720982545.db2.gz ZOHCHFNBNLOQMP-IBGZPJMESA-N 2 0 411.550 2.814 20 0 HFADRP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771806 721143048 /nfs/dbraw/zinc/14/30/48/721143048.db2.gz UFDXBPCRFDGVKM-RBUKOAKNSA-N 2 0 407.518 2.944 20 0 HFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164790248 721452115 /nfs/dbraw/zinc/45/21/15/721452115.db2.gz XOGITQWYVNFUQG-HXUWFJFHSA-N 2 0 417.598 2.585 20 0 HFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164790246 721452140 /nfs/dbraw/zinc/45/21/40/721452140.db2.gz XOGITQWYVNFUQG-FQEVSTJZSA-N 2 0 417.598 2.585 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164807854 721572653 /nfs/dbraw/zinc/57/26/53/721572653.db2.gz TYBNYANGLWEXNT-CZTZKLFOSA-N 2 0 413.953 2.644 20 0 HFADRP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(N(C)C)[nH+]1 ZINC001164907105 721586023 /nfs/dbraw/zinc/58/60/23/721586023.db2.gz RXFLKKDEBMJMBY-FQEVSTJZSA-N 2 0 402.493 2.984 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@H]21 ZINC001165024184 721819983 /nfs/dbraw/zinc/81/99/83/721819983.db2.gz JNEFSGYXJSXMEO-UEVCKROQSA-N 2 0 406.578 2.623 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)c2)CC1 ZINC001164923234 721840655 /nfs/dbraw/zinc/84/06/55/721840655.db2.gz UGIUVURHFUYCBA-YADARESESA-N 2 0 424.545 2.619 20 0 HFADRP Cc1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960555 722025672 /nfs/dbraw/zinc/02/56/72/722025672.db2.gz KLRDCEMVLZMURF-NZQKXSOJSA-N 2 0 408.550 2.825 20 0 HFADRP Clc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975013 722136444 /nfs/dbraw/zinc/13/64/44/722136444.db2.gz DRTVQEGHMYTAJB-UTKZUKDTSA-N 2 0 413.953 2.503 20 0 HFADRP C[NH+]1CCN(c2ccc(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)nn2)CC1 ZINC001164995019 722193091 /nfs/dbraw/zinc/19/30/91/722193091.db2.gz RLEGEVBLKDKBQN-HSZRJFAPSA-N 2 0 410.541 2.612 20 0 HFADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000793744631 1078288804 /nfs/dbraw/zinc/28/88/04/1078288804.db2.gz VBAUBJDVKDXRSR-UHFFFAOYSA-N 2 0 406.615 2.526 20 0 HFADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793812073 1078315072 /nfs/dbraw/zinc/31/50/72/1078315072.db2.gz KMDJURQXAICHIG-LYCVCJOSSA-N 2 0 406.615 2.526 20 0 HFADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793931356 1078341155 /nfs/dbraw/zinc/34/11/55/1078341155.db2.gz MUYIUOSVEQWSMQ-AUSIDOKSSA-N 2 0 422.573 2.658 20 0 HFADRP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491099 1079306172 /nfs/dbraw/zinc/30/61/72/1079306172.db2.gz SCQJKHZUQIMGIQ-AEFFLSMTSA-N 2 0 416.347 2.857 20 0 HFADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccnc4[nH]cc(C[NH+](C)C)c43)cc2)CC1 ZINC001170496387 1079396091 /nfs/dbraw/zinc/39/60/91/1079396091.db2.gz OVKOPACJHUQOBX-WWDZGPRUSA-N 2 0 420.561 2.996 20 0 HFADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000746676456 1076750476 /nfs/dbraw/zinc/75/04/76/1076750476.db2.gz WTMYGSAMYBWCLL-IBGZPJMESA-N 2 0 401.507 2.684 20 0 HFADRP [NH3+]CCN(c1cc[nH+]c(N2CCCCC2)c1)S(=O)(=O)c1cccc2cnccc21 ZINC001170073835 1076824538 /nfs/dbraw/zinc/82/45/38/1076824538.db2.gz OGVMHQBXDHRFQO-UHFFFAOYSA-N 2 0 411.531 2.774 20 0 HFADRP C[N@H+](CCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCCCC1 ZINC000787692845 1076914684 /nfs/dbraw/zinc/91/46/84/1076914684.db2.gz XXZSCJIMWMDUQP-UHFFFAOYSA-N 2 0 420.642 2.918 20 0 HFADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000787752626 1076927771 /nfs/dbraw/zinc/92/77/71/1076927771.db2.gz CXNITGANTNSPEU-QHCPKHFHSA-N 2 0 422.573 2.660 20 0 HFADRP Cc1nccn1-c1ccc(CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000792043280 1077691072 /nfs/dbraw/zinc/69/10/72/1077691072.db2.gz BMYOCKHHEVMXMN-SZPZYZBQSA-N 2 0 416.529 2.849 20 0 HFADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)O1 ZINC001170278506 1077934780 /nfs/dbraw/zinc/93/47/80/1077934780.db2.gz REZORHGQNKCFBV-JFIYKMOQSA-N 2 0 400.445 2.614 20 0 HFADRP Cc1cc(Cl)cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170391138 1077958392 /nfs/dbraw/zinc/95/83/92/1077958392.db2.gz LESMDTYAAAAPJE-HVRBKMHZSA-N 2 0 413.990 2.922 20 0 HFADRP CCCc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1 ZINC001170396143 1077960089 /nfs/dbraw/zinc/96/00/89/1077960089.db2.gz ZLSQVEJPYRMIEM-ZONLJJFTSA-N 2 0 407.599 2.913 20 0 HFADRP Cc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2cc[nH]c21 ZINC001170399823 1077964847 /nfs/dbraw/zinc/96/48/47/1077964847.db2.gz OCCLFHMGSDKHQK-PAFQGWRISA-N 2 0 418.582 2.750 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3ncc(F)c(C4CC[NH2+]CC4)n3)c3ccccc23)CC1 ZINC001170523830 1080599402 /nfs/dbraw/zinc/59/94/02/1080599402.db2.gz FCDRAUOJLYGXKN-UHFFFAOYSA-N 3 0 422.552 2.992 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3nc(Cl)nc4nccnc43)c3ccccc23)CC1 ZINC001170526229 1080685655 /nfs/dbraw/zinc/68/56/55/1080685655.db2.gz WOZAEGKAWFLPFE-UHFFFAOYSA-N 2 0 407.909 2.983 20 0 HFADRP CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)CC1 ZINC001164617928 719030721 /nfs/dbraw/zinc/03/07/21/719030721.db2.gz SEGUQJQQDKIRCN-UHFFFAOYSA-N 2 0 406.958 2.625 20 0 HFADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(N)cc[nH+]3)CC2)c2ccccc21 ZINC001164680263 719656159 /nfs/dbraw/zinc/65/61/59/719656159.db2.gz DSTMQKUUKMBLOE-GOSISDBHSA-N 2 0 407.562 2.757 20 0 HFADRP c1csc(C[N@@H+]2CCOC3(CCN(c4cccc(N5CCOCC5)[nH+]4)CC3)C2)c1 ZINC001164698404 719896298 /nfs/dbraw/zinc/89/62/98/719896298.db2.gz SIKJVKJJBZGXAG-UHFFFAOYSA-N 2 0 414.575 2.851 20 0 HFADRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164712508 720097504 /nfs/dbraw/zinc/09/75/04/720097504.db2.gz WKCASRDCUSEETH-HXUWFJFHSA-N 2 0 410.566 2.754 20 0 HFADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164839722 720705528 /nfs/dbraw/zinc/70/55/28/720705528.db2.gz MQMPGJOFFHNVER-HSZRJFAPSA-N 2 0 421.589 2.751 20 0 HFADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750364 720846005 /nfs/dbraw/zinc/84/60/05/720846005.db2.gz XIFWKOIULOPTDG-XPWALMASSA-N 2 0 421.593 2.648 20 0 HFADRP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771804 721145051 /nfs/dbraw/zinc/14/50/51/721145051.db2.gz UFDXBPCRFDGVKM-OALUTQOASA-N 2 0 407.518 2.944 20 0 HFADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000747143831 1078260619 /nfs/dbraw/zinc/26/06/19/1078260619.db2.gz BPSTXSAWRBREMO-KSEOMHKRSA-N 2 0 403.567 2.731 20 0 HFADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CCCC1)c1ccccc1 ZINC000793713731 1078262079 /nfs/dbraw/zinc/26/20/79/1078262079.db2.gz APXLQLPHPJKRBB-VQTJNVASSA-N 2 0 414.594 2.757 20 0 HFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000793907631 1078334321 /nfs/dbraw/zinc/33/43/21/1078334321.db2.gz GDRCAAHPPVSIJY-LJQANCHMSA-N 2 0 420.642 2.774 20 0 HFADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC001170443803 1078381116 /nfs/dbraw/zinc/38/11/16/1078381116.db2.gz TWEWKGKIFWXJKB-VWNXMTODSA-N 2 0 403.611 2.908 20 0 HFADRP CC(C)C[C@H]([NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000788713138 1077268497 /nfs/dbraw/zinc/26/84/97/1077268497.db2.gz UHJAEAMRWWJFSO-CTNGQTDRSA-N 2 0 418.582 2.722 20 0 HFADRP C[C@@H](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000746764839 1077303597 /nfs/dbraw/zinc/30/35/97/1077303597.db2.gz BUFAUJQNHVPTIE-SIKLNZKXSA-N 2 0 402.583 2.840 20 0 HFADRP CC[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200903 1077912663 /nfs/dbraw/zinc/91/26/63/1077912663.db2.gz AJGLCEOBJYFGEA-ACRUOGEOSA-N 2 0 411.550 2.957 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C(F)F)c2)[C@H](O)OC(C)(C)C)C1 ZINC001170389861 1077958168 /nfs/dbraw/zinc/95/81/68/1077958168.db2.gz FTLUVSNQTPPFTD-MBKANNOKSA-N 2 0 415.525 2.898 20 0 HFADRP Cc1c[nH]c2c1cccc2N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170390352 1077958389 /nfs/dbraw/zinc/95/83/89/1077958389.db2.gz JANAPCZTFYZQTG-LEJHGULMSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccoc3c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170394222 1077959227 /nfs/dbraw/zinc/95/92/27/1077959227.db2.gz VIVQHRNXBWUWNY-OMBLBEMTSA-N 2 0 405.539 2.706 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc3c2CCCC3)[C@H](O)OC(C)(C)C)C1 ZINC001170395792 1077959959 /nfs/dbraw/zinc/95/99/59/1077959959.db2.gz NOCDZDOJBYVDHU-GEPXCNEXSA-N 2 0 419.610 2.839 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccncc3c2)[C@H](O)OC(C)(C)C)C1 ZINC001170397035 1077960591 /nfs/dbraw/zinc/96/05/91/1077960591.db2.gz SPYVPLLTHSOQMA-XXGVUKKKSA-N 2 0 416.566 2.508 20 0 HFADRP Cc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2cc[nH]c21 ZINC001170399821 1077964822 /nfs/dbraw/zinc/96/48/22/1077964822.db2.gz OCCLFHMGSDKHQK-CFNFZEJTSA-N 2 0 418.582 2.750 20 0 HFADRP Cc1c2[nH]ccc2ccc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170400066 1077964830 /nfs/dbraw/zinc/96/48/30/1077964830.db2.gz QCCJDLBVELITLU-PRFUNPLHSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccccc2C2CC2)[C@H](O)OC(C)(C)C)C1 ZINC001170400567 1077965089 /nfs/dbraw/zinc/96/50/89/1077965089.db2.gz STCUAXJLLMQBJY-WROXGLCASA-N 2 0 405.583 2.837 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3[nH]ccc3c2F)[C@@H](O)OC(C)(C)C)C1 ZINC001170401010 1077965204 /nfs/dbraw/zinc/96/52/04/1077965204.db2.gz VBWPEYBUPLNNCL-JYDIPVGNSA-N 2 0 422.545 2.580 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3[nH]ccc3c2F)[C@@H](O)OC(C)(C)C)C1 ZINC001170401008 1077965276 /nfs/dbraw/zinc/96/52/76/1077965276.db2.gz VBWPEYBUPLNNCL-GQLAPXGBSA-N 2 0 422.545 2.580 20 0 HFADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790374015 1078017562 /nfs/dbraw/zinc/01/75/62/1078017562.db2.gz SYPFTTKBPRRIEJ-CVDCTZTESA-N 2 0 404.599 2.837 20 0 HFADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000806813869 1080027316 /nfs/dbraw/zinc/02/73/16/1080027316.db2.gz COICGHCNMKJFCT-DWLFOUALSA-N 2 0 402.583 2.929 20 0 HFADRP COC(=O)c1cc(OC)cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170522273 1080533378 /nfs/dbraw/zinc/53/33/78/1080533378.db2.gz GFDUFHOVWLJIED-UHFFFAOYSA-N 2 0 408.502 2.786 20 0 HFADRP CC(C)NC(=O)c1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170526699 1080756334 /nfs/dbraw/zinc/75/63/34/1080756334.db2.gz VBGFIUFVUPDIDW-UHFFFAOYSA-N 2 0 406.534 2.524 20 0 HFADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164614676 719010145 /nfs/dbraw/zinc/01/01/45/719010145.db2.gz GECCXHXEYRQFCV-HYBUGGRVSA-N 2 0 412.578 2.827 20 0 HFADRP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164626027 719106920 /nfs/dbraw/zinc/10/69/20/719106920.db2.gz ICESBWJTVVEKQZ-FCHUYYIVSA-N 2 0 407.562 2.956 20 0 HFADRP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(OCC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164626030 719107433 /nfs/dbraw/zinc/10/74/33/719107433.db2.gz ICESBWJTVVEKQZ-FGZHOGPDSA-N 2 0 407.562 2.956 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816616 720152101 /nfs/dbraw/zinc/15/21/01/720152101.db2.gz LWZQXAQFHJRBKI-URXFXBBRSA-N 2 0 414.594 2.741 20 0 HFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)CC[C@@H]21 ZINC001164835306 720586191 /nfs/dbraw/zinc/58/61/91/720586191.db2.gz BCCWLDOYBGCGRB-BVSLBCMMSA-N 3 0 423.609 2.583 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)CN(c3ccccn3)CCO4)c2)CC1 ZINC001164873544 721222762 /nfs/dbraw/zinc/22/27/62/721222762.db2.gz RXNNNIDYNATGLB-UHFFFAOYSA-N 2 0 423.561 2.825 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164807856 721573227 /nfs/dbraw/zinc/57/32/27/721573227.db2.gz TYBNYANGLWEXNT-SYYKKAFVSA-N 2 0 413.953 2.644 20 0 HFADRP [NH3+]C1CCN(c2cccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)[nH+]2)CC1 ZINC001164956158 722020414 /nfs/dbraw/zinc/02/04/14/722020414.db2.gz XHUUUDUZOVWVPS-UHFFFAOYSA-N 3 0 406.578 2.897 20 0 HFADRP c1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1 ZINC001164961883 722051425 /nfs/dbraw/zinc/05/14/25/722051425.db2.gz XHBYRBLPXQETRU-ROKPMTFOSA-N 2 0 423.561 2.856 20 0 HFADRP CSC[C@@H](COC(=O)c1ccc2c[nH+]cn2c1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793303543 1078122962 /nfs/dbraw/zinc/12/29/62/1078122962.db2.gz ITIOFOHKOSGSET-GOSISDBHSA-N 2 0 410.455 2.727 20 0 HFADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000793328369 1078138742 /nfs/dbraw/zinc/13/87/42/1078138742.db2.gz BWVUOEMTXXBULS-SLFFLAALSA-N 2 0 424.630 2.897 20 0 HFADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC001130527385 1079436451 /nfs/dbraw/zinc/43/64/51/1079436451.db2.gz DYSZWYZEGJHTBL-TXTKFYIRSA-N 2 0 403.542 2.701 20 0 HFADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000787480996 1076839378 /nfs/dbraw/zinc/83/93/78/1076839378.db2.gz PCDZGVDVPSWTPW-FGZHOGPDSA-N 2 0 410.562 2.519 20 0 HFADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787909591 1076990645 /nfs/dbraw/zinc/99/06/45/1076990645.db2.gz IPUHXKXIMLTYKS-PHZLKFDYSA-N 2 0 420.642 2.774 20 0 HFADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000788538712 1077193326 /nfs/dbraw/zinc/19/33/26/1077193326.db2.gz IULYBIZXPFGOLV-KRWDZBQOSA-N 2 0 403.571 2.569 20 0 HFADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC4(C3)CN(C(=O)OC(C)(C)C)C4)cn2)CC1 ZINC000788541235 1077194079 /nfs/dbraw/zinc/19/40/79/1077194079.db2.gz XYVYQKGXTAMNCZ-UHFFFAOYSA-N 2 0 415.582 2.713 20 0 HFADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000788540529 1077194428 /nfs/dbraw/zinc/19/44/28/1077194428.db2.gz SRSNDEZYDWJRTC-QUCCMNQESA-N 2 0 417.598 2.959 20 0 HFADRP CC1(C(=O)OCC(=O)NC2CC[NH+](C3CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000772721760 1077238348 /nfs/dbraw/zinc/23/83/48/1077238348.db2.gz HGQOWTMYZKRHQP-UHFFFAOYSA-N 2 0 413.562 2.575 20 0 HFADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000789756218 1077786986 /nfs/dbraw/zinc/78/69/86/1077786986.db2.gz CMERWXAZYCCULL-OAQYLSRUSA-N 2 0 424.545 2.731 20 0 HFADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)CC1 ZINC000792269935 1077787347 /nfs/dbraw/zinc/78/73/47/1077787347.db2.gz ZIRWHTVQYSCUHV-UHFFFAOYSA-N 2 0 401.599 2.572 20 0 HFADRP C[N@@H+](Cc1ccccc1)CC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362347 1078004871 /nfs/dbraw/zinc/00/48/71/1078004871.db2.gz KLPBKFQPEMRPRB-DEOSSOPVSA-N 2 0 412.578 2.705 20 0 HFADRP [NH3+][C@@]12C[C@@H]1CN(c1c3c(cnc1Cl)C1(CC[NH+](Cc4ccccc4)CC1)OC3=O)C2 ZINC001164418502 718887806 /nfs/dbraw/zinc/88/78/06/718887806.db2.gz OQIBPSZLWZINCJ-OPAMFIHVSA-N 2 0 424.932 2.934 20 0 HFADRP c1csc(C[N@@H+]2CCOC3(CCN(c4nccc(C5CC[NH2+]CC5)n4)CC3)C2)c1 ZINC001164699114 719895990 /nfs/dbraw/zinc/89/59/90/719895990.db2.gz XGHWSBVGZSEKPT-UHFFFAOYSA-N 2 0 413.591 2.877 20 0 HFADRP c1ncn(C[C@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750203 720858496 /nfs/dbraw/zinc/85/84/96/720858496.db2.gz OQNTTWRAEAHCGW-YTFSRNRJSA-N 2 0 421.593 2.648 20 0 HFADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164787906 721459296 /nfs/dbraw/zinc/45/92/96/721459296.db2.gz STYYZYASVPRRQF-OAQYLSRUSA-N 2 0 402.583 2.882 20 0 HFADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164793832 721490545 /nfs/dbraw/zinc/49/05/45/721490545.db2.gz XVWPBDFNRSYJBT-UHFFFAOYSA-N 2 0 421.593 2.504 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c2CC[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164807857 721572860 /nfs/dbraw/zinc/57/28/60/721572860.db2.gz TYBNYANGLWEXNT-UZKOGDIHSA-N 2 0 413.953 2.644 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2)CC1 ZINC001165015104 721773107 /nfs/dbraw/zinc/77/31/07/721773107.db2.gz IOTYVHBNBRCRSN-XLIONFOSSA-N 2 0 410.518 2.889 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164981581 722098799 /nfs/dbraw/zinc/09/87/99/722098799.db2.gz LTHSWMALDKLMKV-LEWJYISDSA-N 2 0 408.550 2.508 20 0 HFADRP Clc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c2c(n1)C[NH2+]CC2 ZINC001164975011 722136538 /nfs/dbraw/zinc/13/65/38/722136538.db2.gz DRTVQEGHMYTAJB-LAUBAEHRSA-N 2 0 413.953 2.503 20 0 HFADRP CSC[C@H](COC(=O)c1ccc2c[nH+]cn2c1)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793303548 1078122886 /nfs/dbraw/zinc/12/28/86/1078122886.db2.gz ITIOFOHKOSGSET-SFHVURJKSA-N 2 0 410.455 2.727 20 0 HFADRP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000793700808 1078273810 /nfs/dbraw/zinc/27/38/10/1078273810.db2.gz OZBLZWGUFDZBTH-TUNNFDKTSA-N 2 0 414.594 2.661 20 0 HFADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)c1ccco1 ZINC000793850355 1078323081 /nfs/dbraw/zinc/32/30/81/1078323081.db2.gz XEQCBHJOEYNUOX-SOAGJPPSSA-N 2 0 418.582 2.692 20 0 HFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000793912330 1078335882 /nfs/dbraw/zinc/33/58/82/1078335882.db2.gz PDFZEPMFBDDAKC-RTBURBONSA-N 2 0 416.610 2.579 20 0 HFADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793914560 1078336453 /nfs/dbraw/zinc/33/64/53/1078336453.db2.gz UWLNFUFRHYTOBH-AQNXPRMDSA-N 2 0 420.642 2.630 20 0 HFADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1 ZINC000805074991 1078906105 /nfs/dbraw/zinc/90/61/05/1078906105.db2.gz RJPQYTWFRVTBFY-HSALFYBXSA-N 2 0 408.974 2.885 20 0 HFADRP O=C(CCCCCCCCC(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000787522722 1076846509 /nfs/dbraw/zinc/84/65/09/1076846509.db2.gz BLZCFGCHGVJYKV-UHFFFAOYSA-N 2 0 418.626 2.720 20 0 HFADRP CC(C)[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[NH+]1CCC(C)CC1 ZINC000787616101 1076879549 /nfs/dbraw/zinc/87/95/49/1076879549.db2.gz KWMAKSXUHPEBOQ-LZBANZJXSA-N 2 0 420.642 2.772 20 0 HFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000787909229 1076990958 /nfs/dbraw/zinc/99/09/58/1076990958.db2.gz IPUHXKXIMLTYKS-JTVPBKEVSA-N 2 0 420.642 2.774 20 0 HFADRP CC(C)[C@@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000788518785 1077189403 /nfs/dbraw/zinc/18/94/03/1077189403.db2.gz LJWYHDKIWRTXFX-RBBKRZOGSA-N 2 0 402.583 2.902 20 0 HFADRP Cc1nccn1-c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000792043245 1077691030 /nfs/dbraw/zinc/69/10/30/1077691030.db2.gz AJBKFUGLNILSDQ-NRFANRHFSA-N 2 0 404.518 2.897 20 0 HFADRP Cc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c2[nH]ccc21 ZINC001170388945 1077957949 /nfs/dbraw/zinc/95/79/49/1077957949.db2.gz AUQYSLKOKQFWNH-LEJHGULMSA-N 2 0 418.582 2.750 20 0 HFADRP CCCc1ccc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1 ZINC001170396142 1077960131 /nfs/dbraw/zinc/96/01/31/1077960131.db2.gz ZLSQVEJPYRMIEM-YOESJJQFSA-N 2 0 407.599 2.913 20 0 HFADRP Cc1cc(C)c(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(C)c1 ZINC001170396997 1077960588 /nfs/dbraw/zinc/96/05/88/1077960588.db2.gz SIEMQNVKUUBZEA-TZWCSUAMSA-N 2 0 407.599 2.885 20 0 HFADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000790471051 1078038804 /nfs/dbraw/zinc/03/88/04/1078038804.db2.gz GLGWZSRQKIRPDR-VXKWHMMOSA-N 2 0 401.551 2.755 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3c[nH+]ccc3N3CCOCC3)c3ccccc23)CC1 ZINC001170528361 1080798895 /nfs/dbraw/zinc/79/88/95/1080798895.db2.gz NLWXKEFELREYAP-UHFFFAOYSA-N 3 0 405.546 2.828 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001164816848 720193054 /nfs/dbraw/zinc/19/30/54/720193054.db2.gz NEVKCWGYEROGFH-GBXCKJPGSA-N 2 0 414.594 2.739 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C[NH+]3CCCC3)cn2)CC1 ZINC001164825901 720337264 /nfs/dbraw/zinc/33/72/64/720337264.db2.gz JWWFWORAPYPYNI-FCHUYYIVSA-N 2 0 411.594 2.589 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)nc1)C1CC1 ZINC001164822859 720343681 /nfs/dbraw/zinc/34/36/81/720343681.db2.gz FZMGHEYXHBQGOA-FGZHOGPDSA-N 2 0 411.594 2.587 20 0 HFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(N4CCC([NH3+])CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835309 720584739 /nfs/dbraw/zinc/58/47/39/720584739.db2.gz BCCWLDOYBGCGRB-ILWGZMRPSA-N 3 0 423.609 2.583 20 0 HFADRP CC(C)[N@H+]1[C@@H]2CCN(c3cc(Cl)nc4c3CC[NH2+]C4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835654 720591402 /nfs/dbraw/zinc/59/14/02/720591402.db2.gz CEOKGAQNKYNNLS-FUHIMQAGSA-N 2 0 414.985 2.955 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859237 720887378 /nfs/dbraw/zinc/88/73/78/720887378.db2.gz MCPWOXRKFFQZFW-VSKRKVRLSA-N 2 0 402.583 2.802 20 0 HFADRP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164780294 721370906 /nfs/dbraw/zinc/37/09/06/721370906.db2.gz FTENYPWZXLSCTN-QHCPKHFHSA-N 2 0 422.533 2.991 20 0 HFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N(C)C)[nH+]1)CC2 ZINC001164783223 721451852 /nfs/dbraw/zinc/45/18/52/721451852.db2.gz ACKLZDZKZOOUIJ-FQEVSTJZSA-N 2 0 402.583 2.882 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)c2)CC1 ZINC001164895593 721505239 /nfs/dbraw/zinc/50/52/39/721505239.db2.gz CZAISBMBEYYZLP-NRFANRHFSA-N 2 0 421.545 2.592 20 0 HFADRP Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1 ZINC001164912133 721738796 /nfs/dbraw/zinc/73/87/96/721738796.db2.gz MBUSWUSWXFZODM-NRFANRHFSA-N 2 0 414.504 2.605 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)C[C@H]21 ZINC001165026619 721804470 /nfs/dbraw/zinc/80/44/70/721804470.db2.gz ROLFYEFPJJAWDU-QKYXUNIQSA-N 2 0 412.969 2.908 20 0 HFADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793912155 1078336060 /nfs/dbraw/zinc/33/60/60/1078336060.db2.gz OAFPBYWGXZKUGZ-HJLBWTBNSA-N 2 0 420.642 2.772 20 0 HFADRP CCC[N@H+](C)[C@H](CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)c1ccc(Cl)cc1 ZINC000805074994 1078905969 /nfs/dbraw/zinc/90/59/69/1078905969.db2.gz RJPQYTWFRVTBFY-XUVXKRRUSA-N 2 0 408.974 2.885 20 0 HFADRP C[C@@H](CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000805940771 1079343622 /nfs/dbraw/zinc/34/36/22/1079343622.db2.gz BVNZBQQAMZNDHG-KPQWGBOZSA-N 2 0 414.594 2.536 20 0 HFADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3cccc(CN4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001170496661 1079402615 /nfs/dbraw/zinc/40/26/15/1079402615.db2.gz YOUYQZHQWCUJEP-DZVQBONVSA-N 2 0 421.589 2.591 20 0 HFADRP CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787614093 1076878802 /nfs/dbraw/zinc/87/88/02/1076878802.db2.gz BONWIJHJZCUKAA-QFIPXVFZSA-N 2 0 416.610 2.579 20 0 HFADRP C[N@H+](CCCCO)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000788278648 1077096241 /nfs/dbraw/zinc/09/62/41/1077096241.db2.gz IXOBFUIGMWYEHF-UHFFFAOYSA-N 2 0 410.562 2.652 20 0 HFADRP C[C@@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000746764840 1077303482 /nfs/dbraw/zinc/30/34/82/1077303482.db2.gz BUFAUJQNHVPTIE-UGKGYDQZSA-N 2 0 402.583 2.840 20 0 HFADRP CC(C)[NH+]1CCN(CCCOC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000791940041 1077600960 /nfs/dbraw/zinc/60/09/60/1077600960.db2.gz SYRZBXNAGOMXHB-OAQYLSRUSA-N 2 0 405.558 2.997 20 0 HFADRP CC[C@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170204392 1077913125 /nfs/dbraw/zinc/91/31/25/1077913125.db2.gz PVXFILJGVMQXIY-AOIWGVFYSA-N 2 0 401.507 2.695 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C(F)F)c2)[C@H](O)OC(C)(C)C)C1 ZINC001170389858 1077958136 /nfs/dbraw/zinc/95/81/36/1077958136.db2.gz FTLUVSNQTPPFTD-ABWNYZJXSA-N 2 0 415.525 2.898 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cccc(C(F)F)c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170389859 1077958173 /nfs/dbraw/zinc/95/81/73/1077958173.db2.gz FTLUVSNQTPPFTD-CBOSDZJASA-N 2 0 415.525 2.898 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3cc[nH]c32)[C@H](O)OC(C)(C)C)C1 ZINC001170394647 1077959481 /nfs/dbraw/zinc/95/94/81/1077959481.db2.gz WGNFIEGKKDHZHZ-SIPRGPJJSA-N 2 0 422.545 2.580 20 0 HFADRP Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(C)c1C ZINC001170396341 1077959954 /nfs/dbraw/zinc/95/99/54/1077959954.db2.gz OPCYUHRYYJKUEM-YOESJJQFSA-N 2 0 407.599 2.885 20 0 HFADRP Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(C)c1C ZINC001170396332 1077959968 /nfs/dbraw/zinc/95/99/68/1077959968.db2.gz OPCYUHRYYJKUEM-GLOJMNGXSA-N 2 0 407.599 2.885 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(C)(C)C)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170397262 1077960827 /nfs/dbraw/zinc/96/08/27/1077960827.db2.gz HDMZPBAMSASBFR-NMKBPFOZSA-N 2 0 422.614 2.653 20 0 HFADRP C[N@@H+](Cc1ccccc1)CC1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000790362348 1078004752 /nfs/dbraw/zinc/00/47/52/1078004752.db2.gz KLPBKFQPEMRPRB-XMMPIXPASA-N 2 0 412.578 2.705 20 0 HFADRP CN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000790382168 1078009460 /nfs/dbraw/zinc/00/94/60/1078009460.db2.gz FBEADMPVTAXYKX-ONTIZHBOSA-N 2 0 403.498 2.852 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372322 1078017717 /nfs/dbraw/zinc/01/77/17/1078017717.db2.gz PNRSYSJSSXNNSA-UMXIMWEHSA-N 2 0 424.589 2.847 20 0 HFADRP O=C1O[C@]2(CN1CN1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376924 1078018432 /nfs/dbraw/zinc/01/84/32/1078018432.db2.gz WNGNRQSTBSEJQY-VWLOTQADSA-N 3 0 424.589 2.849 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC4(CCOCC4)CC3)cc2)CC1 ZINC000792933907 1078028709 /nfs/dbraw/zinc/02/87/09/1078028709.db2.gz OUOLWAXZCNPTMA-UHFFFAOYSA-N 2 0 400.567 2.660 20 0 HFADRP COC(=O)c1c2cnn(C[N@H+](C)CC3CC[NH+](C)CC3)c2ccc1Br ZINC000790444752 1078033951 /nfs/dbraw/zinc/03/39/51/1078033951.db2.gz FSRGBJXSBUWRBQ-UHFFFAOYSA-N 2 0 409.328 2.817 20 0 HFADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164617778 719011080 /nfs/dbraw/zinc/01/10/80/719011080.db2.gz PORDJWSAANBNIP-GBXCKJPGSA-N 2 0 412.578 2.825 20 0 HFADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164617779 719011293 /nfs/dbraw/zinc/01/12/93/719011293.db2.gz PORDJWSAANBNIP-HYBUGGRVSA-N 2 0 412.578 2.825 20 0 HFADRP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)CC1 ZINC001164617149 719031699 /nfs/dbraw/zinc/03/16/99/719031699.db2.gz HZNFVPDLENGVQD-UHFFFAOYSA-N 2 0 400.567 2.921 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164805672 721576063 /nfs/dbraw/zinc/57/60/63/721576063.db2.gz OKCHQVHZGWMKAW-ZDXQCDESSA-N 2 0 407.562 2.941 20 0 HFADRP C[NH+]1CCC(Oc2ccnc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@H]4CCCO[C@@H]43)c2)CC1 ZINC001164958135 722051399 /nfs/dbraw/zinc/05/13/99/722051399.db2.gz CZPOVUVEJBICMO-JLGINSKQSA-N 2 0 423.561 2.855 20 0 HFADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1)CC(C)C ZINC000793694070 1078270383 /nfs/dbraw/zinc/27/03/83/1078270383.db2.gz BDLJCTMEWQIXIL-HXUWFJFHSA-N 2 0 408.631 2.584 20 0 HFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC001170491101 1079306368 /nfs/dbraw/zinc/30/63/68/1079306368.db2.gz SCQJKHZUQIMGIQ-SJLPKXTDSA-N 2 0 416.347 2.857 20 0 HFADRP CC[NH+](CC)Cc1cncc(N(CC[NH3+])S(=O)(=O)c2cccc3cnccc32)c1 ZINC001170074384 1076826415 /nfs/dbraw/zinc/82/64/15/1076826415.db2.gz GQNBFFZXTIDMLF-UHFFFAOYSA-N 2 0 413.547 2.626 20 0 HFADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000788020431 1077048145 /nfs/dbraw/zinc/04/81/45/1077048145.db2.gz GAHQTURZLVSWNW-UHFFFAOYSA-N 2 0 402.583 2.605 20 0 HFADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000788590889 1077214941 /nfs/dbraw/zinc/21/49/41/1077214941.db2.gz HCYMIYHTQPPWOL-UHFFFAOYSA-N 2 0 407.624 2.528 20 0 HFADRP [NH3+]CCCCN(c1cnc(C[NH3+])nc1)S(=O)(=O)c1ccc2c(Cl)cccc2c1 ZINC001170179768 1077901701 /nfs/dbraw/zinc/90/17/01/1077901701.db2.gz CCDVMDLCNQGSJL-UHFFFAOYSA-N 2 0 419.938 2.676 20 0 HFADRP CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])N=C(C)C=CC[NH3+])cc1 ZINC001170268244 1077922841 /nfs/dbraw/zinc/92/28/41/1077922841.db2.gz OWDKJDVSQDUHLD-GVEGSRHVSA-N 2 0 402.495 2.819 20 0 HFADRP Cc1c[nH]c2cccc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c12 ZINC001170393300 1077958522 /nfs/dbraw/zinc/95/85/22/1077958522.db2.gz RDXAHWMPUIPTDP-RLAAWKOZSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3cc[nH]c32)[C@@H](O)OC(C)(C)C)C1 ZINC001170394645 1077959471 /nfs/dbraw/zinc/95/94/71/1077959471.db2.gz WGNFIEGKKDHZHZ-FRVXDZGGSA-N 2 0 422.545 2.580 20 0 HFADRP Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc2cc[nH]c21 ZINC001170396776 1077960355 /nfs/dbraw/zinc/96/03/55/1077960355.db2.gz DJLSFXPJVGIBLQ-WFLKQGPQSA-N 2 0 418.582 2.750 20 0 HFADRP Cc1c2[nH]ccc2ccc1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170400065 1077964850 /nfs/dbraw/zinc/96/48/50/1077964850.db2.gz QCCJDLBVELITLU-IEIALMLTSA-N 2 0 418.582 2.750 20 0 HFADRP CC(C)C1CCC([NH+]2CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)CC1 ZINC000790366225 1078015406 /nfs/dbraw/zinc/01/54/06/1078015406.db2.gz HMJPHXPLUAECNS-IRSIHTCSSA-N 2 0 404.599 2.693 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372306 1078017338 /nfs/dbraw/zinc/01/73/38/1078017338.db2.gz PNRSYSJSSXNNSA-QQKQFIJSSA-N 2 0 424.589 2.847 20 0 HFADRP CCC[C@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1Cc1ccccc1 ZINC000790377018 1078018467 /nfs/dbraw/zinc/01/84/67/1078018467.db2.gz WTIZXZYUYSEBTM-LADGPHEKSA-N 2 0 412.578 2.847 20 0 HFADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000790471049 1078038714 /nfs/dbraw/zinc/03/87/14/1078038714.db2.gz GLGWZSRQKIRPDR-FCHUYYIVSA-N 2 0 401.551 2.755 20 0 HFADRP NC(=S)c1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C2CC2)n1 ZINC001170526658 1080754864 /nfs/dbraw/zinc/75/48/64/1080754864.db2.gz UQIXQXUFJJLQES-UHFFFAOYSA-N 2 0 420.586 2.898 20 0 HFADRP CON(C)C(=O)c1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001170528301 1080795905 /nfs/dbraw/zinc/79/59/05/1080795905.db2.gz KTVVPJFQKLGRFS-UHFFFAOYSA-N 2 0 407.518 2.625 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](OCc5ccncc5)CC[C@@H]43)c2)CC1 ZINC001164655114 719295269 /nfs/dbraw/zinc/29/52/69/719295269.db2.gz SGZWEKXWFRAMJG-FIXSFTCYSA-N 2 0 424.545 2.903 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810814 720199865 /nfs/dbraw/zinc/19/98/65/720199865.db2.gz CYDQZPVAZVEMNT-QPPBQGQZSA-N 2 0 414.594 2.645 20 0 HFADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nccc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC001164835866 720574644 /nfs/dbraw/zinc/57/46/44/720574644.db2.gz IPZVJQLELVTSKL-URVUXULASA-N 2 0 409.582 2.518 20 0 HFADRP Cc1cccc(N(c2cccc(N3CC[NH+](C)CC3)n2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001164778008 721329842 /nfs/dbraw/zinc/32/98/42/721329842.db2.gz SNYORAPQTGBRCQ-QPPBQGQZSA-N 2 0 407.562 2.801 20 0 HFADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164796747 721498562 /nfs/dbraw/zinc/49/85/62/721498562.db2.gz WUAIRBBNNQVXTP-UHFFFAOYSA-N 2 0 406.578 2.767 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164811243 721589893 /nfs/dbraw/zinc/58/98/93/721589893.db2.gz WXJPDZHIWDMDBO-ZLNRFVROSA-N 2 0 407.562 2.941 20 0 HFADRP C[NH+]1CCN(c2cccc(-n3nc(-c4ccc(F)cc4)c4c3CC[NH2+]CC4)n2)CC1 ZINC001164797240 721597335 /nfs/dbraw/zinc/59/73/35/721597335.db2.gz FTSGLWNQKRGHOL-UHFFFAOYSA-N 2 0 406.509 2.513 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@@H]21 ZINC001165023159 721824602 /nfs/dbraw/zinc/82/46/02/721824602.db2.gz HUXVJKRSCCHIBA-BVYCBKJFSA-N 2 0 422.577 2.739 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165023162 721824672 /nfs/dbraw/zinc/82/46/72/721824672.db2.gz HUXVJKRSCCHIBA-VLCRHTCISA-N 2 0 422.577 2.739 20 0 HFADRP Cc1ccc(N(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959864 722025516 /nfs/dbraw/zinc/02/55/16/722025516.db2.gz JCUSKQTXXYINSN-NZQKXSOJSA-N 2 0 408.550 2.823 20 0 HFADRP Cc1ccc(N(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164959870 722025528 /nfs/dbraw/zinc/02/55/28/722025528.db2.gz JCUSKQTXXYINSN-REWPJTCUSA-N 2 0 408.550 2.823 20 0 HFADRP Cc1ccc(N(c2ncccc2C[NH+]2CCCC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164960556 722025727 /nfs/dbraw/zinc/02/57/27/722025727.db2.gz KLRDCEMVLZMURF-OFNKIYASSA-N 2 0 408.550 2.825 20 0 HFADRP C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000793726568 1078268507 /nfs/dbraw/zinc/26/85/07/1078268507.db2.gz SCTAXNQUJUMBGY-FQEVSTJZSA-N 2 0 414.594 2.669 20 0 HFADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793812076 1078314958 /nfs/dbraw/zinc/31/49/58/1078314958.db2.gz KMDJURQXAICHIG-ZGBXNUFFSA-N 2 0 406.615 2.526 20 0 HFADRP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000804380464 1078440571 /nfs/dbraw/zinc/44/05/71/1078440571.db2.gz VVAFATHTHAVCSN-OYRHEFFESA-N 2 0 408.631 2.822 20 0 HFADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CCNC(=O)OC(C)(C)C)CC1 ZINC000805763592 1079264189 /nfs/dbraw/zinc/26/41/89/1079264189.db2.gz MGKHQWZYFWUMGB-IBGZPJMESA-N 2 0 410.603 2.745 20 0 HFADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[NH+]1CCC(C)CC1 ZINC000787614091 1076878938 /nfs/dbraw/zinc/87/89/38/1076878938.db2.gz BONWIJHJZCUKAA-JOCHJYFZSA-N 2 0 416.610 2.579 20 0 HFADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000787739946 1076937477 /nfs/dbraw/zinc/93/74/77/1076937477.db2.gz VPHPFCIRQASILL-NRFANRHFSA-N 2 0 414.594 2.709 20 0 HFADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(N2CCOC2=O)c1 ZINC000746736367 1077076221 /nfs/dbraw/zinc/07/62/21/1077076221.db2.gz MIHSZUMJSFYUNB-IBGZPJMESA-N 2 0 417.554 2.831 20 0 HFADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000788540530 1077194393 /nfs/dbraw/zinc/19/43/93/1077194393.db2.gz SRSNDEZYDWJRTC-UYAOXDASSA-N 2 0 417.598 2.959 20 0 HFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788592324 1077215287 /nfs/dbraw/zinc/21/52/87/1077215287.db2.gz BKEMPCKCZNQJHO-QGZVFWFLSA-N 2 0 411.587 2.887 20 0 HFADRP CC[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200908 1077912701 /nfs/dbraw/zinc/91/27/01/1077912701.db2.gz AJGLCEOBJYFGEA-HKBOAZHASA-N 2 0 411.550 2.957 20 0 HFADRP CC[C@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170204394 1077913184 /nfs/dbraw/zinc/91/31/84/1077913184.db2.gz PVXFILJGVMQXIY-LNLFQRSKSA-N 2 0 401.507 2.695 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3sccc3n2)[C@@H](O)OC(C)(C)C)C1 ZINC001170386554 1077957470 /nfs/dbraw/zinc/95/74/70/1077957470.db2.gz DKTYQBWJQQEWEJ-PQWXKCTQSA-N 2 0 422.595 2.570 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccc3sccc32)[C@@H](O)OC(C)(C)C)C1 ZINC001170389930 1077958165 /nfs/dbraw/zinc/95/81/65/1077958165.db2.gz SBAFCHAVLPZSQW-JVZMEXGZSA-N 2 0 422.595 2.570 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3cc[nH]c32)[C@H](O)OC(C)(C)C)C1 ZINC001170394646 1077959450 /nfs/dbraw/zinc/95/94/50/1077959450.db2.gz WGNFIEGKKDHZHZ-RNHZEXENSA-N 2 0 422.545 2.580 20 0 HFADRP Cc1cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc(C)c1C ZINC001170396339 1077960003 /nfs/dbraw/zinc/96/00/03/1077960003.db2.gz OPCYUHRYYJKUEM-JFZIVLOISA-N 2 0 407.599 2.885 20 0 HFADRP Cc1cc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc2cc[nH]c21 ZINC001170396704 1077960377 /nfs/dbraw/zinc/96/03/77/1077960377.db2.gz DJLSFXPJVGIBLQ-ITJSPEIASA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccncc3c2)[C@H](O)OC(C)(C)C)C1 ZINC001170397032 1077960577 /nfs/dbraw/zinc/96/05/77/1077960577.db2.gz SPYVPLLTHSOQMA-ADNIJMRFSA-N 2 0 416.566 2.508 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(C)(C)C)ccn2)[C@H](O)OC(C)(C)C)C1 ZINC001170400569 1077965044 /nfs/dbraw/zinc/96/50/44/1077965044.db2.gz SUDCJXGCOGTOLG-NMKBPFOZSA-N 2 0 422.614 2.653 20 0 HFADRP O=C1O[C@]2(CN1C[NH2+]C1(c3ccc(Cl)cc3)CCOCC1)C[NH+]1CCC2CC1 ZINC000790362076 1078004473 /nfs/dbraw/zinc/00/44/73/1078004473.db2.gz JINOAFRMJAABQJ-NRFANRHFSA-N 2 0 405.926 2.809 20 0 HFADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790471494 1078039121 /nfs/dbraw/zinc/03/91/21/1078039121.db2.gz QWGCFOHYFPZRJY-FQEVSTJZSA-N 2 0 402.583 2.651 20 0 HFADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000790472461 1078039273 /nfs/dbraw/zinc/03/92/73/1078039273.db2.gz HDTLNEWANMPSRD-FQEVSTJZSA-N 2 0 401.551 2.878 20 0 HFADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806789691 1080009959 /nfs/dbraw/zinc/00/99/59/1080009959.db2.gz PDZHCSGYCWDDPC-QETWGEEDSA-N 2 0 418.626 2.813 20 0 HFADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000806813870 1080027356 /nfs/dbraw/zinc/02/73/56/1080027356.db2.gz COICGHCNMKJFCT-UZKOGDIHSA-N 2 0 402.583 2.929 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@@H]43)c2)CC1 ZINC001164655116 719295546 /nfs/dbraw/zinc/29/55/46/719295546.db2.gz SGZWEKXWFRAMJG-ZDXQCDESSA-N 2 0 424.545 2.903 20 0 HFADRP C[NH+](C)Cc1ccnc(N([C@H]2CCC23CC[NH2+]CC3)S(=O)(=O)c2ccccc2)c1 ZINC001164682654 719592394 /nfs/dbraw/zinc/59/23/94/719592394.db2.gz DHNXOLGDDSHUBC-FQEVSTJZSA-N 2 0 414.575 2.871 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164810396 720094818 /nfs/dbraw/zinc/09/48/18/720094818.db2.gz LMSJENCUYQTASQ-XMSQKQJNSA-N 2 0 420.001 2.782 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164810815 720200566 /nfs/dbraw/zinc/20/05/66/720200566.db2.gz CYDQZPVAZVEMNT-URXFXBBRSA-N 2 0 414.594 2.645 20 0 HFADRP CC(C)[N@H+]1[C@@H]2CCN(c3nccc(C4CC[NH2+]CC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835863 720576529 /nfs/dbraw/zinc/57/65/29/720576529.db2.gz IPZVJQLELVTSKL-JAXLGGSGSA-N 2 0 409.582 2.518 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748785 720801093 /nfs/dbraw/zinc/80/10/93/720801093.db2.gz RLDKGGOLSGOYLL-KCZVDYSFSA-N 2 0 408.550 2.760 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)c2)CC1 ZINC001164895596 721505149 /nfs/dbraw/zinc/50/51/49/721505149.db2.gz CZAISBMBEYYZLP-OAQYLSRUSA-N 2 0 421.545 2.592 20 0 HFADRP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(N(C)C)[nH+]1 ZINC001164907106 721586116 /nfs/dbraw/zinc/58/61/16/721586116.db2.gz RXFLKKDEBMJMBY-HXUWFJFHSA-N 2 0 402.493 2.984 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2C[NH+]2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164811241 721589670 /nfs/dbraw/zinc/58/96/70/721589670.db2.gz WXJPDZHIWDMDBO-YTFSRNRJSA-N 2 0 407.562 2.941 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)C[C@@H]21 ZINC001165024186 721819910 /nfs/dbraw/zinc/81/99/10/721819910.db2.gz JNEFSGYXJSXMEO-WTIAFYNJSA-N 2 0 406.578 2.623 20 0 HFADRP C[NH+]1CCC(Oc2ccnc(N(c3ccccn3)[C@@H]3C[NH2+]C[C@@H]4CCCO[C@H]34)c2)CC1 ZINC001164958141 722051317 /nfs/dbraw/zinc/05/13/17/722051317.db2.gz CZPOVUVEJBICMO-VNZMSGEBSA-N 2 0 423.561 2.855 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)c2)CC1 ZINC001164966321 722065649 /nfs/dbraw/zinc/06/56/49/722065649.db2.gz QVAGEIWKLWZGCR-MOPGFXCFSA-N 2 0 413.547 2.505 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@H]3C[NH+](Cc4cccnc4)CCO[C@H]3C2)nc1)C1CC1 ZINC001164980901 722146172 /nfs/dbraw/zinc/14/61/72/722146172.db2.gz NMRSYQKYGBONIV-GMAHTHKFSA-N 2 0 407.562 2.798 20 0 HFADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(OC4CC[NH2+]CC4)nn2)C3)c1 ZINC001164995927 722208550 /nfs/dbraw/zinc/20/85/50/722208550.db2.gz PYZNSYZUECXTHI-HSZRJFAPSA-N 2 0 411.525 2.991 20 0 HFADRP C[C@H](COC(=O)c1ccc2c[nH+]cn2c1)O[C@H](C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793280936 1078126627 /nfs/dbraw/zinc/12/66/27/1078126627.db2.gz YQAAIQWWOQJHRE-HZPDHXFCSA-N 2 0 422.441 2.789 20 0 HFADRP C[C@H](CNC(=O)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[NH+]1CCCCC1 ZINC000793720174 1078264845 /nfs/dbraw/zinc/26/48/45/1078264845.db2.gz GKCMRBBBXODVDO-HXUWFJFHSA-N 2 0 414.594 2.525 20 0 HFADRP C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000746705215 1076907215 /nfs/dbraw/zinc/90/72/15/1076907215.db2.gz ITOQNKMMGBCVRT-UHFFFAOYSA-N 2 0 411.550 2.701 20 0 HFADRP CC(C)C[C@H]([NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)C(=O)NCC[NH+](C)C ZINC000788713139 1077268410 /nfs/dbraw/zinc/26/84/10/1077268410.db2.gz UHJAEAMRWWJFSO-FPOVZHCZSA-N 2 0 418.582 2.722 20 0 HFADRP C[C@H](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)Cc1ccccc1 ZINC000746764837 1077303496 /nfs/dbraw/zinc/30/34/96/1077303496.db2.gz BUFAUJQNHVPTIE-DENIHFKCSA-N 2 0 402.583 2.840 20 0 HFADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000789283897 1077495042 /nfs/dbraw/zinc/49/50/42/1077495042.db2.gz CXHVBOQFTDOKPZ-UHFFFAOYSA-N 2 0 414.594 2.656 20 0 HFADRP CC[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CCO1 ZINC001170204393 1077913159 /nfs/dbraw/zinc/91/31/59/1077913159.db2.gz PVXFILJGVMQXIY-LMMKCTJWSA-N 2 0 401.507 2.695 20 0 HFADRP CC1=Cc2cccc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c2C1 ZINC001170392004 1077958403 /nfs/dbraw/zinc/95/84/03/1077958403.db2.gz OJSVNSZOMLGXBS-GEPXCNEXSA-N 2 0 417.594 2.919 20 0 HFADRP Cc1c[nH]c2cccc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c12 ZINC001170393299 1077958537 /nfs/dbraw/zinc/95/85/37/1077958537.db2.gz RDXAHWMPUIPTDP-PTDPKTLFSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3ccncc3c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170397034 1077960620 /nfs/dbraw/zinc/96/06/20/1077960620.db2.gz SPYVPLLTHSOQMA-XSXWSVAESA-N 2 0 416.566 2.508 20 0 HFADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000790471593 1078039107 /nfs/dbraw/zinc/03/91/07/1078039107.db2.gz SEHWTFIWGXYIIY-UHFFFAOYSA-N 2 0 402.583 2.651 20 0 HFADRP COc1nccc2c1ncnc2-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170525540 1080729377 /nfs/dbraw/zinc/72/93/77/1080729377.db2.gz ROCRNOJORWQMQU-UHFFFAOYSA-N 2 0 402.502 2.943 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(=O)n(CC(F)(F)F)n3)c3ccccc23)CC1 ZINC001170528437 1080784705 /nfs/dbraw/zinc/78/47/05/1080784705.db2.gz MGSIJTXECQELEN-UHFFFAOYSA-N 2 0 419.451 2.715 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(CN4CCOCC4)nc3)c3ccccc23)CC1 ZINC001170528264 1080792152 /nfs/dbraw/zinc/79/21/52/1080792152.db2.gz IYBZJRWOHACJPA-UHFFFAOYSA-N 2 0 419.573 2.823 20 0 HFADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164614674 719009823 /nfs/dbraw/zinc/00/98/23/719009823.db2.gz GECCXHXEYRQFCV-GBXCKJPGSA-N 2 0 412.578 2.827 20 0 HFADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816618 720151691 /nfs/dbraw/zinc/15/16/91/720151691.db2.gz LWZQXAQFHJRBKI-XUZZJYLKSA-N 2 0 414.594 2.741 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164829352 720353170 /nfs/dbraw/zinc/35/31/70/720353170.db2.gz RMADNKVYQHXJOD-VXKWHMMOSA-N 2 0 411.594 2.589 20 0 HFADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncccc2C[NH+]2CCCC2)CC1 ZINC001164829350 720353336 /nfs/dbraw/zinc/35/33/36/720353336.db2.gz RMADNKVYQHXJOD-FGZHOGPDSA-N 2 0 411.594 2.589 20 0 HFADRP Cc1cc(N2CCCC2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]1 ZINC001164840666 720505278 /nfs/dbraw/zinc/50/52/78/720505278.db2.gz XESCOAQDZAFRQD-QHAWAJNXSA-N 2 0 409.582 2.960 20 0 HFADRP c1nc(C[NH2+]C2CCC2)c2n1CCCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164837492 720738016 /nfs/dbraw/zinc/73/80/16/720738016.db2.gz MDWMIMZEEAUCCV-UHFFFAOYSA-N 2 0 410.566 2.805 20 0 HFADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164750350 720845733 /nfs/dbraw/zinc/84/57/33/720845733.db2.gz XIFWKOIULOPTDG-RJGXRXQPSA-N 2 0 421.593 2.648 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@H]3C2)c1 ZINC001164973866 722155380 /nfs/dbraw/zinc/15/53/80/722155380.db2.gz NEOSSUBVRGTBLN-GMAHTHKFSA-N 2 0 407.562 2.800 20 0 HFADRP C[NH+]1CCC(N2CCC([NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)CC2)CC1 ZINC000790468966 1078045463 /nfs/dbraw/zinc/04/54/63/1078045463.db2.gz GOSDGLLEIWSYHK-UHFFFAOYSA-N 2 0 414.594 2.936 20 0 HFADRP Cc1ccc([C@H](CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)[NH+](C)C)cc1 ZINC000793718742 1078264591 /nfs/dbraw/zinc/26/45/91/1078264591.db2.gz KDDNXMCBNXZDSW-HRTMPFAESA-N 2 0 414.594 2.627 20 0 HFADRP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001170437313 1078293546 /nfs/dbraw/zinc/29/35/46/1078293546.db2.gz MJZDCZPMZUJGMS-HXUWFJFHSA-N 2 0 411.546 2.561 20 0 HFADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793815032 1078315797 /nfs/dbraw/zinc/31/57/97/1078315797.db2.gz VBGJJYSRTSHDHV-YADARESESA-N 2 0 420.642 2.774 20 0 HFADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747294615 1079395168 /nfs/dbraw/zinc/39/51/68/1079395168.db2.gz SJPVADVEUJSTCF-UHFFFAOYSA-N 2 0 419.961 2.884 20 0 HFADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(NC(C)=O)ccc23)C1 ZINC000746676457 1076750511 /nfs/dbraw/zinc/75/05/11/1076750511.db2.gz WTMYGSAMYBWCLL-LJQANCHMSA-N 2 0 401.507 2.684 20 0 HFADRP CC(C)[C@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)N1CC[NH+](C)CC1 ZINC000788518784 1077189329 /nfs/dbraw/zinc/18/93/29/1077189329.db2.gz LJWYHDKIWRTXFX-IRLDBZIGSA-N 2 0 402.583 2.902 20 0 HFADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCOC)[C@H]3CC[C@H](C)C3)cc2)CC1 ZINC000792463727 1077859283 /nfs/dbraw/zinc/85/92/83/1077859283.db2.gz CJJDKVRGGCYDOB-UGKGYDQZSA-N 2 0 402.583 2.904 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccc3sccc32)[C@H](O)OC(C)(C)C)C1 ZINC001170389931 1077958150 /nfs/dbraw/zinc/95/81/50/1077958150.db2.gz SBAFCHAVLPZSQW-LBBLDFNBSA-N 2 0 422.595 2.570 20 0 HFADRP Cc1cc2cc(N([C@@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]3[NH3+])ccc2[nH]1 ZINC001170394157 1077959257 /nfs/dbraw/zinc/95/92/57/1077959257.db2.gz UVGRZAHAQSUCLS-NHWIGJJZSA-N 2 0 418.582 2.750 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(C)(C)C)ccn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170400570 1077965053 /nfs/dbraw/zinc/96/50/53/1077965053.db2.gz SUDCJXGCOGTOLG-OMBLBEMTSA-N 2 0 422.614 2.653 20 0 HFADRP CCOC(=O)C1=C(Nc2ncccc2N2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001170522033 1080494844 /nfs/dbraw/zinc/49/48/44/1080494844.db2.gz UVSCLYFRGJEUAU-UHFFFAOYSA-N 2 0 421.545 2.626 20 0 HFADRP COC(=O)c1cc(OC)ncc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170528173 1080784816 /nfs/dbraw/zinc/78/48/16/1080784816.db2.gz JKOMBIOUMRKUDC-UHFFFAOYSA-N 2 0 408.502 2.786 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3cc(F)cc(-c4nn[nH]n4)c3)c3ccccc23)CC1 ZINC001170528212 1080787734 /nfs/dbraw/zinc/78/77/34/1080787734.db2.gz FXVMPQFVRPJEJM-UHFFFAOYSA-N 2 0 405.481 2.915 20 0 HFADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164617781 719011242 /nfs/dbraw/zinc/01/12/42/719011242.db2.gz PORDJWSAANBNIP-YKSBVNFPSA-N 2 0 412.578 2.825 20 0 HFADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N(C)C)cc[nH+]1)CC2 ZINC001164787904 721459652 /nfs/dbraw/zinc/45/96/52/721459652.db2.gz STYYZYASVPRRQF-NRFANRHFSA-N 2 0 402.583 2.882 20 0 HFADRP Cc1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964300 722025418 /nfs/dbraw/zinc/02/54/18/722025418.db2.gz WGYKEHHDZHGOQI-OFNKIYASSA-N 2 0 408.550 2.825 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)nc1)C1CC1 ZINC001164980899 722146512 /nfs/dbraw/zinc/14/65/12/722146512.db2.gz NMRSYQKYGBONIV-FYYLOGMGSA-N 2 0 407.562 2.798 20 0 HFADRP COCC(C)(COC(=O)c1ccc2c[nH+]cn2c1)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793209661 1078106759 /nfs/dbraw/zinc/10/67/59/1078106759.db2.gz PNVZUKSLCASYTO-UHFFFAOYSA-N 2 0 422.441 2.649 20 0 HFADRP C[NH+]1C(C)(C)CC(Nc2ccc(S(=O)(=O)NC3CC[NH2+]CC3)cc2)CC1(C)C ZINC001170454767 1078546754 /nfs/dbraw/zinc/54/67/54/1078546754.db2.gz XPTSQYASMBFBBG-UHFFFAOYSA-N 2 0 408.612 2.780 20 0 HFADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000787904242 1076988585 /nfs/dbraw/zinc/98/85/85/1076988585.db2.gz QHXIGBILTBNGSZ-HXUWFJFHSA-N 2 0 420.642 2.918 20 0 HFADRP CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)C2)C1 ZINC000788732076 1077284351 /nfs/dbraw/zinc/28/43/51/1077284351.db2.gz CSGDRTVZGYEHAI-HXUWFJFHSA-N 2 0 401.551 2.742 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(F)cc3[nH]ccc32)[C@@H](O)OC(C)(C)C)C1 ZINC001170389352 1077957908 /nfs/dbraw/zinc/95/79/08/1077957908.db2.gz CCCJFZZWUZKEQA-VEUDBZIBSA-N 2 0 422.545 2.580 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(Cl)ccc2F)[C@H](O)OC(C)(C)C)C1 ZINC001170396682 1077960346 /nfs/dbraw/zinc/96/03/46/1077960346.db2.gz PRQHAJFYOZQURF-MQPLHJKPSA-N 2 0 417.953 2.753 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(C)(C)C)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170397265 1077960826 /nfs/dbraw/zinc/96/08/26/1077960826.db2.gz HDMZPBAMSASBFR-WCUWYRCVSA-N 2 0 422.614 2.653 20 0 HFADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(C(=O)OCc4ccccc4)CC3)cn2)CC1 ZINC000790463499 1078035845 /nfs/dbraw/zinc/03/58/45/1078035845.db2.gz KPCGBQNSNHRFOV-UHFFFAOYSA-N 2 0 423.561 2.724 20 0 HFADRP CCOC(=O)c1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)nc(C)n1 ZINC001170526280 1080686440 /nfs/dbraw/zinc/68/64/40/1080686440.db2.gz XHPQFLKRXLMAOT-UHFFFAOYSA-N 2 0 407.518 2.871 20 0 HFADRP COC(=O)c1nnc(Cl)cc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170525603 1080733594 /nfs/dbraw/zinc/73/35/94/1080733594.db2.gz VDINDXDDSHBVJY-UHFFFAOYSA-N 2 0 413.909 2.826 20 0 HFADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164614680 719009949 /nfs/dbraw/zinc/00/99/49/719009949.db2.gz GECCXHXEYRQFCV-RDPSFJRHSA-N 2 0 412.578 2.827 20 0 HFADRP Clc1nc2c(c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)n1)C[NH2+]CC2 ZINC001164703472 719886219 /nfs/dbraw/zinc/88/62/19/719886219.db2.gz SLZHLMSVIQMGDJ-UHFFFAOYSA-N 2 0 419.982 2.709 20 0 HFADRP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164816614 720152517 /nfs/dbraw/zinc/15/25/17/720152517.db2.gz LWZQXAQFHJRBKI-QPPBQGQZSA-N 2 0 414.594 2.741 20 0 HFADRP c1ncn(C[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749515 720838385 /nfs/dbraw/zinc/83/83/85/720838385.db2.gz WBMRMCKIIWAWMF-ILWGZMRPSA-N 2 0 407.566 2.653 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859241 720887542 /nfs/dbraw/zinc/88/75/42/720887542.db2.gz MCPWOXRKFFQZFW-YPAWHYETSA-N 2 0 402.583 2.802 20 0 HFADRP Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)n1 ZINC001164771977 721056140 /nfs/dbraw/zinc/05/61/40/721056140.db2.gz NZKXYPXYYAFZTF-YADHBBJMSA-N 2 0 421.545 2.638 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@H]4CN(C(=O)c5ccco5)C[C@@H]43)c2)CC1 ZINC001165015103 721773144 /nfs/dbraw/zinc/77/31/44/721773144.db2.gz IOTYVHBNBRCRSN-PXNSSMCTSA-N 2 0 410.518 2.889 20 0 HFADRP c1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1 ZINC001164961885 722051243 /nfs/dbraw/zinc/05/12/43/722051243.db2.gz XHBYRBLPXQETRU-YOSAUDMPSA-N 2 0 423.561 2.856 20 0 HFADRP C[C@H](CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[NH+]1CCCCC1 ZINC000793720103 1078264826 /nfs/dbraw/zinc/26/48/26/1078264826.db2.gz GBBSTXROZMPHBA-HXUWFJFHSA-N 2 0 414.594 2.669 20 0 HFADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)([NH+](C)C)C1 ZINC000793815028 1078315839 /nfs/dbraw/zinc/31/58/39/1078315839.db2.gz VBGJJYSRTSHDHV-CYFREDJKSA-N 2 0 420.642 2.774 20 0 HFADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000793914561 1078336487 /nfs/dbraw/zinc/33/64/87/1078336487.db2.gz UWLNFUFRHYTOBH-HSALFYBXSA-N 2 0 420.642 2.630 20 0 HFADRP C[N@H+](CCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000787688512 1076912838 /nfs/dbraw/zinc/91/28/38/1076912838.db2.gz JGRDYBYHERAQSZ-UHFFFAOYSA-N 2 0 406.615 2.671 20 0 HFADRP C[C@@H](OC(=O)c1ccc2c[nH+]cn2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792565812 1077905541 /nfs/dbraw/zinc/90/55/41/1077905541.db2.gz QXLNWXBWMQVGMP-QGZVFWFLSA-N 2 0 406.486 2.660 20 0 HFADRP CC[C@@H]1C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)Nc2ccc3ccccc3c2)CCO1 ZINC001170200905 1077912712 /nfs/dbraw/zinc/91/27/12/1077912712.db2.gz AJGLCEOBJYFGEA-HBMCJLEFSA-N 2 0 411.550 2.957 20 0 HFADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001170280676 1077936541 /nfs/dbraw/zinc/93/65/41/1077936541.db2.gz NQJSJYDDYSHBRB-YADHBBJMSA-N 2 0 415.578 2.741 20 0 HFADRP Cc1ccc2[nH]ccc2c1N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170392996 1077958582 /nfs/dbraw/zinc/95/85/82/1077958582.db2.gz JCOCANCTKOLPNI-PAFQGWRISA-N 2 0 418.582 2.750 20 0 HFADRP CCCc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1 ZINC001170396140 1077960107 /nfs/dbraw/zinc/96/01/07/1077960107.db2.gz ZLSQVEJPYRMIEM-GLOJMNGXSA-N 2 0 407.599 2.913 20 0 HFADRP Cc1c2[nH]ccc2ccc1N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170400068 1077964858 /nfs/dbraw/zinc/96/48/58/1077964858.db2.gz QCCJDLBVELITLU-XWCXQPFMSA-N 2 0 418.582 2.750 20 0 HFADRP CC[N@H+](CCC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1)CC1CC1 ZINC000790367692 1078015746 /nfs/dbraw/zinc/01/57/46/1078015746.db2.gz HCRQKRVYRBWNCY-QHCPKHFHSA-N 2 0 404.599 2.695 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)C[NH+]1CCC2CC1 ZINC000790372281 1078017366 /nfs/dbraw/zinc/01/73/66/1078017366.db2.gz PNRSYSJSSXNNSA-GZGNHOFSSA-N 2 0 424.589 2.847 20 0 HFADRP [NH3+]CC1CC[NH+](Cc2ccc(NCCNC(=O)c3ccc(Cl)cn3)cc2)CC1 ZINC001170422412 1078019512 /nfs/dbraw/zinc/01/95/12/1078019512.db2.gz RRPCSYAYTOSGGY-UHFFFAOYSA-N 2 0 401.942 2.748 20 0 HFADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)ccn1 ZINC000790478260 1078040569 /nfs/dbraw/zinc/04/05/69/1078040569.db2.gz MQKMPJATVHMSCR-UHFFFAOYSA-N 2 0 412.534 2.913 20 0 HFADRP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000806738576 1079929576 /nfs/dbraw/zinc/92/95/76/1079929576.db2.gz ILJVYXWFWFGKCG-FSSWDIPSSA-N 2 0 402.583 2.650 20 0 HFADRP CON(C)C(=O)c1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528407 1080800702 /nfs/dbraw/zinc/80/07/02/1080800702.db2.gz KYQUKAQKLNXJRU-UHFFFAOYSA-N 2 0 407.518 2.625 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](OCc5ccncc5)CC[C@H]43)c2)CC1 ZINC001164655113 719295237 /nfs/dbraw/zinc/29/52/37/719295237.db2.gz SGZWEKXWFRAMJG-AKFKNWHVSA-N 2 0 424.545 2.903 20 0 HFADRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N(C)C)[nH+]c(C)n1)CC2 ZINC001164712506 720097765 /nfs/dbraw/zinc/09/77/65/720097765.db2.gz WKCASRDCUSEETH-FQEVSTJZSA-N 2 0 410.566 2.754 20 0 HFADRP c1ncn(C[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749517 720837930 /nfs/dbraw/zinc/83/79/30/720837930.db2.gz WBMRMCKIIWAWMF-KSEOMHKRSA-N 2 0 407.566 2.653 20 0 HFADRP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164784114 721370743 /nfs/dbraw/zinc/37/07/43/721370743.db2.gz QLYWYIBTKVTXAC-HSZRJFAPSA-N 2 0 413.566 2.867 20 0 HFADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc(C)c(C5C[NH2+]C5)n4)CC3)C2)cc1 ZINC001164944475 721933734 /nfs/dbraw/zinc/93/37/34/721933734.db2.gz SFRIZHSKDHRFGT-UHFFFAOYSA-N 2 0 407.562 2.652 20 0 HFADRP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)n1 ZINC001164961925 722051688 /nfs/dbraw/zinc/05/16/88/722051688.db2.gz YXCVTRUNSQCBRQ-UHFFFAOYSA-N 2 0 410.566 2.755 20 0 HFADRP O=C(c1cccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC001164994095 722204030 /nfs/dbraw/zinc/20/40/30/722204030.db2.gz FSRIQLSXSYBFTR-DEOSSOPVSA-N 2 0 423.536 2.511 20 0 HFADRP C[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1)[NH+]1CCCCC1 ZINC000793726581 1078268520 /nfs/dbraw/zinc/26/85/20/1078268520.db2.gz SCTAXNQUJUMBGY-HXUWFJFHSA-N 2 0 414.594 2.669 20 0 HFADRP Cc1cc(C)c(N2C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2=O)c(C)c1 ZINC000747225860 1078808851 /nfs/dbraw/zinc/80/88/51/1078808851.db2.gz AJVNNYBJQJOJDF-OAQYLSRUSA-N 2 0 416.610 2.697 20 0 HFADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC001170491100 1079306227 /nfs/dbraw/zinc/30/62/27/1079306227.db2.gz SCQJKHZUQIMGIQ-FUHWJXTLSA-N 2 0 416.347 2.857 20 0 HFADRP C[C@@H]([NH3+])C1CCC(C(=O)N=C2C=C[NH+](c3ccccc3N3CCOCC3)C=C2)CC1 ZINC001170496591 1079413808 /nfs/dbraw/zinc/41/38/08/1079413808.db2.gz UYHGTMHFGUOCJA-XEVCZEQESA-N 2 0 408.546 2.895 20 0 HFADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300971 1076748650 /nfs/dbraw/zinc/74/86/50/1076748650.db2.gz ZYODKCHGPKNUDT-OVNVTHAWSA-N 2 0 416.587 2.870 20 0 HFADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000787908786 1076991521 /nfs/dbraw/zinc/99/15/21/1076991521.db2.gz GIQVHIBGQGLFAF-WOJBJXKFSA-N 2 0 416.610 2.581 20 0 HFADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000788694511 1077274654 /nfs/dbraw/zinc/27/46/54/1077274654.db2.gz VBTKMLGDNKYYDH-QGZVFWFLSA-N 2 0 409.571 2.807 20 0 HFADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000746767150 1077310492 /nfs/dbraw/zinc/31/04/92/1077310492.db2.gz VBSLFNREPNYVFZ-PMACEKPBSA-N 2 0 408.974 2.885 20 0 HFADRP Cc1cc(Cl)cc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c1 ZINC001170391140 1077958383 /nfs/dbraw/zinc/95/83/83/1077958383.db2.gz LESMDTYAAAAPJE-SQWSIXGCSA-N 2 0 413.990 2.922 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc3ccccc3c2)[C@@H](O)OC(C)(C)C)C1 ZINC001170391698 1077958396 /nfs/dbraw/zinc/95/83/96/1077958396.db2.gz DTDWMBNNIWUTGV-CPNAEOBWSA-N 2 0 416.566 2.508 20 0 HFADRP Cc1c[nH]c2cccc(N([C@H](O)OC(C)(C)C)[C@H]3C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]3[NH3+])c12 ZINC001170393298 1077958570 /nfs/dbraw/zinc/95/85/70/1077958570.db2.gz RDXAHWMPUIPTDP-CTSLQZMRSA-N 2 0 418.582 2.750 20 0 HFADRP CCCc1ccc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])cc1 ZINC001170396141 1077960140 /nfs/dbraw/zinc/96/01/40/1077960140.db2.gz ZLSQVEJPYRMIEM-JFZIVLOISA-N 2 0 407.599 2.913 20 0 HFADRP O=C1O[C@@]2(CN1CN1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)C[NH+]1CCC2CC1 ZINC000790372502 1078017479 /nfs/dbraw/zinc/01/74/79/1078017479.db2.gz WLHZYPXYABRUES-LOSJGSFVSA-N 2 0 424.589 2.849 20 0 HFADRP O=C1O[C@@]2(CN1CN1CCC3(CC[N@H+](Cc4ccccc4)C3)CC1)C[NH+]1CCC2CC1 ZINC000790376920 1078018409 /nfs/dbraw/zinc/01/84/09/1078018409.db2.gz WNGNRQSTBSEJQY-RUZDIDTESA-N 3 0 424.589 2.849 20 0 HFADRP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000790471050 1078038728 /nfs/dbraw/zinc/03/87/28/1078038728.db2.gz GLGWZSRQKIRPDR-FGZHOGPDSA-N 2 0 401.551 2.755 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3nc(Cl)nc4c3COC4=O)c3ccccc23)CC1 ZINC001170524808 1080632738 /nfs/dbraw/zinc/63/27/38/1080632738.db2.gz NEBUUQTZAJJBLK-UHFFFAOYSA-N 2 0 411.893 2.710 20 0 HFADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164748789 720800825 /nfs/dbraw/zinc/80/08/25/720800825.db2.gz RLDKGGOLSGOYLL-RZUBCFFCSA-N 2 0 408.550 2.760 20 0 HFADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164749509 720838080 /nfs/dbraw/zinc/83/80/80/720838080.db2.gz WBMRMCKIIWAWMF-BAGYTPMASA-N 2 0 407.566 2.653 20 0 HFADRP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C[NH+]3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164805669 721576278 /nfs/dbraw/zinc/57/62/78/721576278.db2.gz OKCHQVHZGWMKAW-WMTXJRDZSA-N 2 0 407.562 2.941 20 0 HFADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC[C@@H]4CN(C(=O)c5ccco5)C[C@H]43)c2)CC1 ZINC001165015105 721773325 /nfs/dbraw/zinc/77/33/25/721773325.db2.gz IOTYVHBNBRCRSN-YLJYHZDGSA-N 2 0 410.518 2.889 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)C[C@H]21 ZINC001165023160 721824679 /nfs/dbraw/zinc/82/46/79/721824679.db2.gz HUXVJKRSCCHIBA-STZQEDGTSA-N 2 0 422.577 2.739 20 0 HFADRP CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000793700806 1078273826 /nfs/dbraw/zinc/27/38/26/1078273826.db2.gz OZBLZWGUFDZBTH-ONTIZHBOSA-N 2 0 414.594 2.661 20 0 HFADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793908615 1078334562 /nfs/dbraw/zinc/33/45/62/1078334562.db2.gz KJIAZWQTQKXZIE-XEVCZEQESA-N 2 0 406.615 2.526 20 0 HFADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793912160 1078336079 /nfs/dbraw/zinc/33/60/79/1078336079.db2.gz OAFPBYWGXZKUGZ-WHSGIHJSSA-N 2 0 420.642 2.772 20 0 HFADRP CC[NH+]1CCN(C(=O)CCCCCCCC(=O)N2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000804380463 1078440560 /nfs/dbraw/zinc/44/05/60/1078440560.db2.gz VVAFATHTHAVCSN-NHCUHLMSSA-N 2 0 408.631 2.822 20 0 HFADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000805816873 1079290433 /nfs/dbraw/zinc/29/04/33/1079290433.db2.gz QQMBHSMWXXXSCE-UHFFFAOYSA-N 2 0 406.615 2.672 20 0 HFADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccccc3Cn3cc[nH+]c3N)cc2)CC1 ZINC001170501188 1079498159 /nfs/dbraw/zinc/49/81/59/1079498159.db2.gz WEIYCSKQBFEVIF-LMDPOFIKSA-N 2 0 418.545 2.885 20 0 HFADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000787914303 1076993225 /nfs/dbraw/zinc/99/32/25/1076993225.db2.gz YYEXXJYFACICJV-HXUWFJFHSA-N 2 0 420.642 2.776 20 0 HFADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCCN(C(=O)Oc4ccccc4)CC3)ccn2)CC1 ZINC000788539023 1077193100 /nfs/dbraw/zinc/19/31/00/1077193100.db2.gz KAOOPTMCWJLFJN-OAQYLSRUSA-N 2 0 423.561 2.977 20 0 HFADRP CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000791812234 1077563625 /nfs/dbraw/zinc/56/36/25/1077563625.db2.gz RRRRNWHLQNSVFL-UHFFFAOYSA-N 2 0 416.610 2.790 20 0 HFADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(Cl)ccc2F)[C@H](O)OC(C)(C)C)C1 ZINC001170396683 1077960375 /nfs/dbraw/zinc/96/03/75/1077960375.db2.gz PRQHAJFYOZQURF-SCYLSFHTSA-N 2 0 417.953 2.753 20 0 HFADRP Cc1cc(C)c(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(C)c1 ZINC001170396999 1077960602 /nfs/dbraw/zinc/96/06/02/1077960602.db2.gz SIEMQNVKUUBZEA-YOWRRBNZSA-N 2 0 407.599 2.885 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(O[C@H]4CCC[NH2+]C4)nn3)c3ccccc23)CC1 ZINC001170525134 1080643697 /nfs/dbraw/zinc/64/36/97/1080643697.db2.gz GXWXWKNPCBQHLD-FQEVSTJZSA-N 3 0 420.561 2.517 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3nc(Cl)nc4c3CC[NH2+]CC4)c3ccccc23)CC1 ZINC001170526938 1080764322 /nfs/dbraw/zinc/76/43/22/1080764322.db2.gz ZGUMXLGYQJQERV-UHFFFAOYSA-N 3 0 424.980 2.728 20 0 HFADRP CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164617576 719011046 /nfs/dbraw/zinc/01/10/46/719011046.db2.gz OQDAMEIWWTZDPW-RDPSFJRHSA-N 2 0 412.578 2.827 20 0 HFADRP CCOC(=O)C1CC[NH+](C2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)CC1 ZINC001164619663 719020765 /nfs/dbraw/zinc/02/07/65/719020765.db2.gz WPGNTDWHNPAQNS-UHFFFAOYSA-N 2 0 401.555 2.629 20 0 HFADRP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(OCC3CC[NH2+]CC3)nn2)cc1 ZINC001164626033 719107083 /nfs/dbraw/zinc/10/70/83/719107083.db2.gz ICESBWJTVVEKQZ-VXKWHMMOSA-N 2 0 407.562 2.956 20 0 HFADRP C[N@H+](Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[NH+]3CC3CC3)C2)nc1)C1CC1 ZINC001164741793 720851172 /nfs/dbraw/zinc/85/11/72/720851172.db2.gz FOOMROASVPABBI-MDNUFGMLSA-N 2 0 421.593 2.647 20 0 HFADRP c1nc2n(c1CN(c1ccccn1)c1ncccc1C[NH+]1CCCC1)CC[NH2+]CC2 ZINC001164760832 721041457 /nfs/dbraw/zinc/04/14/57/721041457.db2.gz DTATYYBKICNFJI-UHFFFAOYSA-N 2 0 403.534 2.753 20 0 HFADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164796794 721498011 /nfs/dbraw/zinc/49/80/11/721498011.db2.gz YEDXHUYFUSYYND-UHFFFAOYSA-N 2 0 421.593 2.680 20 0 HFADRP C[NH+](Cc1cccnc1)[C@H]1CN(c2ccc(C[N@@H+](C)C3CC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164812236 721582749 /nfs/dbraw/zinc/58/27/49/721582749.db2.gz ZRBSUOZLEQKNED-FIXSFTCYSA-N 2 0 407.562 2.939 20 0 HFADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)C[C@@H]21 ZINC001165021370 721800038 /nfs/dbraw/zinc/80/00/38/721800038.db2.gz GNZMRADCHFOSQD-ZAAXVRCTSA-N 2 0 412.969 2.908 20 0 HFADRP Cc1ccc(N(c2ccc(C[NH+]3CCCC3)cn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001164964304 722025542 /nfs/dbraw/zinc/02/55/42/722025542.db2.gz WGYKEHHDZHGOQI-REWPJTCUSA-N 2 0 408.550 2.825 20 0 HFADRP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[C@@H]3C2)c1 ZINC001164973864 722155670 /nfs/dbraw/zinc/15/56/70/722155670.db2.gz NEOSSUBVRGTBLN-GGAORHGYSA-N 2 0 407.562 2.800 20 0 HFADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000793908613 1078334494 /nfs/dbraw/zinc/33/44/94/1078334494.db2.gz KJIAZWQTQKXZIE-HDYDNRTBSA-N 2 0 406.615 2.526 20 0 HFADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC001170443797 1078381186 /nfs/dbraw/zinc/38/11/86/1078381186.db2.gz TWEWKGKIFWXJKB-LADGPHEKSA-N 2 0 403.611 2.908 20 0 HFADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000787300970 1076748791 /nfs/dbraw/zinc/74/87/91/1076748791.db2.gz ZYODKCHGPKNUDT-JBYIUTFZSA-N 2 0 416.587 2.870 20 0 HFADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000787901684 1077004431 /nfs/dbraw/zinc/00/44/31/1077004431.db2.gz CFPUMVIVHYZEOO-MWXLCCTBSA-N 2 0 406.615 2.671 20 0 HFADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CC1 ZINC000789315268 1077510572 /nfs/dbraw/zinc/51/05/72/1077510572.db2.gz QJVOJVKPCIYGBO-UHFFFAOYSA-N 2 0 408.974 2.815 20 0 HFADRP C[C@H](OC(=O)c1ccc2c[nH+]cn2c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000792565811 1077905513 /nfs/dbraw/zinc/90/55/13/1077905513.db2.gz QXLNWXBWMQVGMP-KRWDZBQOSA-N 2 0 406.486 2.660 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc3sccc3n2)[C@H](O)OC(C)(C)C)C1 ZINC001170386550 1077957495 /nfs/dbraw/zinc/95/74/95/1077957495.db2.gz DKTYQBWJQQEWEJ-AYDVLDGXSA-N 2 0 422.595 2.570 20 0 HFADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(C(C)(C)C)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170397264 1077960847 /nfs/dbraw/zinc/96/08/47/1077960847.db2.gz HDMZPBAMSASBFR-PAMRQWRISA-N 2 0 422.614 2.653 20 0 HFADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000806814776 1080026884 /nfs/dbraw/zinc/02/68/84/1080026884.db2.gz VCXUQNXEKBTANW-STZQEDGTSA-N 2 0 400.567 2.592 20 0 HFADRP CCOC(=O)C1=C(N=c2nc[nH]c3c2C[NH+](C)CC3)CC[N@H+](Cc2ccccc2)C1 ZINC001170521017 1080440950 /nfs/dbraw/zinc/44/09/50/1080440950.db2.gz DVNIJWNBSRLTHE-UHFFFAOYSA-N 2 0 407.518 2.600 20 0 HFADRP [NH3+]C1CC[NH+](CCc2cn(-c3cc(N4CCOCC4)cc[nH+]3)c3ccccc23)CC1 ZINC001170525204 1080644381 /nfs/dbraw/zinc/64/43/81/1080644381.db2.gz KDYYDCQWCAOJKK-UHFFFAOYSA-N 3 0 405.546 2.828 20 0 HFADRP