smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000097987467 969181880 /nfs/dbraw/zinc/18/18/80/969181880.db2.gz ZOFREJJBURTLCF-DAXSKMNVSA-N 1 2 414.893 3.518 50 5 HHBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000007285786 132323759 /nfs/dbraw/zinc/32/37/59/132323759.db2.gz WSNBPKMJPYSJER-UHFFFAOYSA-N 1 2 405.380 3.584 50 5 HHBALO CCCCCCNC(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000004660407 534994648 /nfs/dbraw/zinc/99/46/48/534994648.db2.gz PMMUFRZEAXNARH-UHFFFAOYSA-N 1 2 411.506 3.627 50 5 HHBALO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4cc[nH+]c(C5CCCC5)n4)CC3)nc2c1 ZINC000097166114 558998656 /nfs/dbraw/zinc/99/86/56/558998656.db2.gz TYPKVISAKKMIOH-UHFFFAOYSA-N 1 2 407.478 3.635 50 5 HHBALO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000021529576 568709896 /nfs/dbraw/zinc/70/98/96/568709896.db2.gz RCPWLGYIHVRPAK-UHFFFAOYSA-N 1 2 423.498 3.904 50 5 HHBALO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000021529576 568709898 /nfs/dbraw/zinc/70/98/98/568709898.db2.gz RCPWLGYIHVRPAK-UHFFFAOYSA-N 1 2 423.498 3.904 50 5 HHBALO Cc1nc([N+](=O)[O-])c(N2CC[NH+](Cc3ccc(F)cc3)CC2)n1Cc1ccccc1 ZINC000057384783 568830995 /nfs/dbraw/zinc/83/09/95/568830995.db2.gz ZEDLJCVKVJSAQV-UHFFFAOYSA-N 1 2 409.465 3.609 50 5 HHBALO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1Cl ZINC000057911470 568867766 /nfs/dbraw/zinc/86/77/66/568867766.db2.gz NHMILOUYUZKQGA-UHFFFAOYSA-N 1 2 413.861 3.985 50 5 HHBALO COc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000058039194 568879495 /nfs/dbraw/zinc/87/94/95/568879495.db2.gz XYBDCIRVWBSKBX-HNNXBMFYSA-N 1 2 409.446 3.537 50 5 HHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310419 568988722 /nfs/dbraw/zinc/98/87/22/568988722.db2.gz RNKXMTKRDFAWGN-IBGZPJMESA-N 1 2 411.458 3.840 50 5 HHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310419 568988723 /nfs/dbraw/zinc/98/87/23/568988723.db2.gz RNKXMTKRDFAWGN-IBGZPJMESA-N 1 2 411.458 3.840 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154733 571202150 /nfs/dbraw/zinc/20/21/50/571202150.db2.gz UOQPJBPLULYTRM-IBGZPJMESA-N 1 2 419.865 3.659 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154733 571202154 /nfs/dbraw/zinc/20/21/54/571202154.db2.gz UOQPJBPLULYTRM-IBGZPJMESA-N 1 2 419.865 3.659 50 5 HHBALO C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012629654 132365343 /nfs/dbraw/zinc/36/53/43/132365343.db2.gz DFPSNWTZHSUVHN-QGZVFWFLSA-N 1 2 419.485 3.874 50 5 HHBALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022906590 557850737 /nfs/dbraw/zinc/85/07/37/557850737.db2.gz GEZOIDAMOKKTTI-JOCHJYFZSA-N 1 2 402.454 3.519 50 5 HHBALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022906590 557850741 /nfs/dbraw/zinc/85/07/41/557850741.db2.gz GEZOIDAMOKKTTI-JOCHJYFZSA-N 1 2 402.454 3.519 50 5 HHBALO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000057435506 568836610 /nfs/dbraw/zinc/83/66/10/568836610.db2.gz VYNLWDUKXRZBBB-UHFFFAOYSA-N 1 2 403.866 3.745 50 5 HHBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000089806986 569266102 /nfs/dbraw/zinc/26/61/02/569266102.db2.gz CGELOHPAFHOJPP-UHFFFAOYSA-N 1 2 409.364 3.665 50 5 HHBALO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)n2)cc1 ZINC000040118759 571175082 /nfs/dbraw/zinc/17/50/82/571175082.db2.gz ZICPXEZYRFADNR-MRXNPFEDSA-N 1 2 400.460 3.888 50 5 HHBALO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)n2)cc1 ZINC000040118759 571175084 /nfs/dbraw/zinc/17/50/84/571175084.db2.gz ZICPXEZYRFADNR-MRXNPFEDSA-N 1 2 400.460 3.888 50 5 HHBALO Cc1nn(CC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)c(C)c1[N+](=O)[O-] ZINC000003648814 132267727 /nfs/dbraw/zinc/26/77/27/132267727.db2.gz IXWXVBLQMNKPSK-UHFFFAOYSA-N 1 2 422.489 3.894 50 5 HHBALO COc1ccc(CCCN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1OC ZINC000032819240 523933327 /nfs/dbraw/zinc/93/33/27/523933327.db2.gz LKHAGGSGUABPNY-UHFFFAOYSA-N 1 2 424.457 3.503 50 5 HHBALO Cc1c(C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000023106405 559010151 /nfs/dbraw/zinc/01/01/51/559010151.db2.gz NHEWYOSGJGIWRI-HSZRJFAPSA-N 1 2 419.481 3.860 50 5 HHBALO Cc1ccc([C@H](CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)[NH+]2CCOCC2)o1 ZINC000048288490 568434783 /nfs/dbraw/zinc/43/47/83/568434783.db2.gz YRQSWVUTXKEPBS-IBGZPJMESA-N 1 2 423.473 3.747 50 5 HHBALO O=C(CSc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000096010333 568683661 /nfs/dbraw/zinc/68/36/61/568683661.db2.gz OZLYYARCTZNOQI-UHFFFAOYSA-N 1 2 411.936 3.746 50 5 HHBALO O=[N+]([O-])c1ccc(C[C@H](O)[NH+]2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000001023600 568763403 /nfs/dbraw/zinc/76/34/03/568763403.db2.gz NOLLQEWYOWVTOO-SFHVURJKSA-N 1 2 418.906 3.541 50 5 HHBALO Cn1cc[nH+]c1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012551027 568853048 /nfs/dbraw/zinc/85/30/48/568853048.db2.gz MXMYFOGWMCLJGT-KRWDZBQOSA-N 1 2 420.878 3.587 50 5 HHBALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004118572 568944284 /nfs/dbraw/zinc/94/42/84/568944284.db2.gz DYFMTPXGVVXJFP-QPJJXVBHSA-N 1 2 414.893 3.518 50 5 HHBALO COc1cccc(-n2c(C[N@@H+]3CCCC[C@@H]3C)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917640 559204421 /nfs/dbraw/zinc/20/44/21/559204421.db2.gz ZNGHGCTVTPNCTD-HNNXBMFYSA-N 1 2 408.458 3.677 50 5 HHBALO COc1cccc(-n2c(C[N@H+]3CCCC[C@@H]3C)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917640 559204422 /nfs/dbraw/zinc/20/44/22/559204422.db2.gz ZNGHGCTVTPNCTD-HNNXBMFYSA-N 1 2 408.458 3.677 50 5 HHBALO O=C(CN1CC[NH+](C/C=C\c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005772479 568483111 /nfs/dbraw/zinc/48/31/11/568483111.db2.gz DYFMTPXGVVXJFP-DAXSKMNVSA-N 1 2 414.893 3.518 50 5 HHBALO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)OCO2 ZINC000055543838 568779073 /nfs/dbraw/zinc/77/90/73/568779073.db2.gz TWMIYUODTIBIKT-UHFFFAOYSA-N 1 2 409.364 3.665 50 5 HHBALO C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(c1ccccc1)c1ccccc1 ZINC000012808578 569403732 /nfs/dbraw/zinc/40/37/32/569403732.db2.gz LNAIPGLDIFPIDS-UHFFFAOYSA-N 1 2 401.422 3.870 50 5 HHBALO C[N@@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(c1ccccc1)c1ccccc1 ZINC000012808578 569403734 /nfs/dbraw/zinc/40/37/34/569403734.db2.gz LNAIPGLDIFPIDS-UHFFFAOYSA-N 1 2 401.422 3.870 50 5 HHBALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000009517645 571265224 /nfs/dbraw/zinc/26/52/24/571265224.db2.gz IHAIXFVNUOQYNS-UHFFFAOYSA-N 1 2 424.417 3.594 50 5 HHBALO C[NH+](C)[C@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000032869518 522089699 /nfs/dbraw/zinc/08/96/99/522089699.db2.gz VKKHKLFQYYOYLZ-GOSISDBHSA-N 1 2 420.872 3.994 50 5 HHBALO C[N@@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043730802 524026414 /nfs/dbraw/zinc/02/64/14/524026414.db2.gz LTSSNJKYSUGPMN-LQNXUBFPSA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043730802 524026418 /nfs/dbraw/zinc/02/64/18/524026418.db2.gz LTSSNJKYSUGPMN-LQNXUBFPSA-N 1 2 417.421 3.564 50 5 HHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310418 568988147 /nfs/dbraw/zinc/98/81/47/568988147.db2.gz RNKXMTKRDFAWGN-LJQANCHMSA-N 1 2 411.458 3.840 50 5 HHBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310418 568988150 /nfs/dbraw/zinc/98/81/50/568988150.db2.gz RNKXMTKRDFAWGN-LJQANCHMSA-N 1 2 411.458 3.840 50 5 HHBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000026902081 569060077 /nfs/dbraw/zinc/06/00/77/569060077.db2.gz QYNCBQBMZPHCPZ-GOSISDBHSA-N 1 2 413.371 3.608 50 5 HHBALO O=c1[nH]c(C=Cc2ccc(O)c([N+](=O)[O-])c2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000098052718 969186244 /nfs/dbraw/zinc/18/62/44/969186244.db2.gz JTYPWCVMZDPROU-CLFYSBASSA-N 1 2 404.426 3.525 50 5 HHBALO O=c1[nH]c(C=Cc2ccc(O)c([N+](=O)[O-])c2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000098052718 969186247 /nfs/dbraw/zinc/18/62/47/969186247.db2.gz JTYPWCVMZDPROU-CLFYSBASSA-N 1 2 404.426 3.525 50 5 HHBALO Cc1ccc(C(=O)NC[C@@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022906608 557852512 /nfs/dbraw/zinc/85/25/12/557852512.db2.gz BDNWIBOFNUJWOU-QHCPKHFHSA-N 1 2 416.481 3.828 50 5 HHBALO Cc1ccc(C(=O)NC[C@@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022906608 557852515 /nfs/dbraw/zinc/85/25/15/557852515.db2.gz BDNWIBOFNUJWOU-QHCPKHFHSA-N 1 2 416.481 3.828 50 5 HHBALO COc1cccc(-n2c(C[NH+]3CCC(C)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917654 559204451 /nfs/dbraw/zinc/20/44/51/559204451.db2.gz FIFZOEHDHFEQRA-UHFFFAOYSA-N 1 2 408.458 3.534 50 5 HHBALO C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000105721664 560877060 /nfs/dbraw/zinc/87/70/60/560877060.db2.gz GBSUAXYGOLFQOM-BRWVUGGUSA-N 1 2 412.490 3.566 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012879383 569014244 /nfs/dbraw/zinc/01/42/44/569014244.db2.gz YKIDKPRGMJDBFT-KRWDZBQOSA-N 1 2 410.474 3.501 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012879383 569014245 /nfs/dbraw/zinc/01/42/45/569014245.db2.gz YKIDKPRGMJDBFT-KRWDZBQOSA-N 1 2 410.474 3.501 50 5 HHBALO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+](Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000026599482 569041836 /nfs/dbraw/zinc/04/18/36/569041836.db2.gz KSGAEXZMTZETIA-QGZVFWFLSA-N 1 2 407.474 3.832 50 5 HHBALO CN(C(=O)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000004660409 132281130 /nfs/dbraw/zinc/28/11/30/132281130.db2.gz VXQROWMGZJEWRK-UHFFFAOYSA-N 1 2 423.517 3.721 50 5 HHBALO C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012629657 132365292 /nfs/dbraw/zinc/36/52/92/132365292.db2.gz DFPSNWTZHSUVHN-KRWDZBQOSA-N 1 2 419.485 3.874 50 5 HHBALO O=S(=O)(c1ccccc1)N1CC[NH+](Cc2nc3ccccc3c3ccccc32)CC1 ZINC000023968406 527287665 /nfs/dbraw/zinc/28/76/65/527287665.db2.gz WTRMVMMUKKOHPG-UHFFFAOYSA-N 1 2 417.534 3.895 50 5 HHBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)c(C(F)(F)F)c1 ZINC000059949843 558619127 /nfs/dbraw/zinc/61/91/27/558619127.db2.gz KJFSAFPNLFBMOA-UHFFFAOYSA-N 1 2 405.380 3.584 50 5 HHBALO C[N@@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013592957 558845806 /nfs/dbraw/zinc/84/58/06/558845806.db2.gz ZXABMUGOSSOPLJ-NIJIEXERSA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013592957 558845808 /nfs/dbraw/zinc/84/58/08/558845808.db2.gz ZXABMUGOSSOPLJ-NIJIEXERSA-N 1 2 417.421 3.564 50 5 HHBALO COc1ccc(-c2ccc(CN3CC[NH+](Cc4cccnc4)CC3)o2)c([N+](=O)[O-])c1 ZINC000095468617 568625229 /nfs/dbraw/zinc/62/52/29/568625229.db2.gz PAAOKMIRMGTMAK-UHFFFAOYSA-N 1 2 408.458 3.576 50 5 HHBALO Cc1cc2[nH+]cn(-c3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c2cc1C ZINC000005899735 568828718 /nfs/dbraw/zinc/82/87/18/568828718.db2.gz YKXDHPAEKAFKLT-UHFFFAOYSA-N 1 2 414.487 3.725 50 5 HHBALO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304559 568922624 /nfs/dbraw/zinc/92/26/24/568922624.db2.gz GVFAGNBQNJJYFP-NVXWUHKLSA-N 1 2 408.930 3.550 50 5 HHBALO C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000035318099 569031419 /nfs/dbraw/zinc/03/14/19/569031419.db2.gz PRHBYPNOJYQGAP-ZSDSOXJFSA-N 1 2 417.506 3.791 50 5 HHBALO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000035318099 569031420 /nfs/dbraw/zinc/03/14/20/569031420.db2.gz PRHBYPNOJYQGAP-ZSDSOXJFSA-N 1 2 417.506 3.791 50 5 HHBALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000009517644 571265273 /nfs/dbraw/zinc/26/52/73/571265273.db2.gz STVZNSHSFRYSJY-UHFFFAOYSA-N 1 2 424.417 3.594 50 5 HHBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020081922 558330871 /nfs/dbraw/zinc/33/08/71/558330871.db2.gz ZIZGHRDQVXCJKK-UHFFFAOYSA-N 1 2 407.426 3.939 50 5 HHBALO CC[N@H+](CCCNC(=O)c1cccn2c(=O)c3ccccc3nc12)c1cccc(C)c1 ZINC000002957254 568829829 /nfs/dbraw/zinc/82/98/29/568829829.db2.gz JFGQQDWZFICELP-UHFFFAOYSA-N 1 2 414.509 3.803 50 5 HHBALO CC[N@@H+](CCCNC(=O)c1cccn2c(=O)c3ccccc3nc12)c1cccc(C)c1 ZINC000002957254 568829831 /nfs/dbraw/zinc/82/98/31/568829831.db2.gz JFGQQDWZFICELP-UHFFFAOYSA-N 1 2 414.509 3.803 50 5 HHBALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000003220090 568861998 /nfs/dbraw/zinc/86/19/98/568861998.db2.gz IHSNGRZMWYLIQJ-UHFFFAOYSA-N 1 2 424.482 3.871 50 5 HHBALO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1[N+](=O)[O-] ZINC000003220090 568861999 /nfs/dbraw/zinc/86/19/99/568861999.db2.gz IHSNGRZMWYLIQJ-UHFFFAOYSA-N 1 2 424.482 3.871 50 5 HHBALO O=C(c1ccccc1)c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000058218691 568900824 /nfs/dbraw/zinc/90/08/24/568900824.db2.gz QGZHPRDLCXBZBV-UHFFFAOYSA-N 1 2 417.465 3.854 50 5 HHBALO C[NH+](C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000058450140 568919252 /nfs/dbraw/zinc/91/92/52/568919252.db2.gz BSFKSPMFIITGFW-UHFFFAOYSA-N 1 2 421.482 3.538 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170599731 569242858 /nfs/dbraw/zinc/24/28/58/569242858.db2.gz RIMMFJNLNBAKMV-JVPBZIDWSA-N 1 2 418.490 3.936 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170599731 569242859 /nfs/dbraw/zinc/24/28/59/569242859.db2.gz RIMMFJNLNBAKMV-JVPBZIDWSA-N 1 2 418.490 3.936 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055058877 569380574 /nfs/dbraw/zinc/38/05/74/569380574.db2.gz SSLHFCOBNDBXMI-VMPITWQZSA-N 1 2 412.515 3.631 50 5 HHBALO O=[N+]([O-])c1ccc(Nc2nc(NCc3ccco3)[nH+]c(NCc3ccco3)n2)cc1 ZINC000012374913 569400520 /nfs/dbraw/zinc/40/05/20/569400520.db2.gz PCAZUOJMCACXJB-UHFFFAOYSA-N 1 2 407.390 3.934 50 5 HHBALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022906594 557852441 /nfs/dbraw/zinc/85/24/41/557852441.db2.gz GEZOIDAMOKKTTI-QFIPXVFZSA-N 1 2 402.454 3.519 50 5 HHBALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022906594 557852443 /nfs/dbraw/zinc/85/24/43/557852443.db2.gz GEZOIDAMOKKTTI-QFIPXVFZSA-N 1 2 402.454 3.519 50 5 HHBALO CC[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)N1CCOCC1 ZINC000004598444 558834248 /nfs/dbraw/zinc/83/42/48/558834248.db2.gz JHFHUWGRQADCRB-IBGZPJMESA-N 1 2 406.511 3.765 50 5 HHBALO C[N@@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013576727 558843921 /nfs/dbraw/zinc/84/39/21/558843921.db2.gz LTSSNJKYSUGPMN-NIJIEXERSA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000013576727 558843924 /nfs/dbraw/zinc/84/39/24/558843924.db2.gz LTSSNJKYSUGPMN-NIJIEXERSA-N 1 2 417.421 3.564 50 5 HHBALO COc1cccc(-n2c(C[N@@H+]3CCCC[C@H]3C)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917633 559204463 /nfs/dbraw/zinc/20/44/63/559204463.db2.gz ZNGHGCTVTPNCTD-OAHLLOKOSA-N 1 2 408.458 3.677 50 5 HHBALO COc1cccc(-n2c(C[N@H+]3CCCC[C@H]3C)nc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000004917633 559204464 /nfs/dbraw/zinc/20/44/64/559204464.db2.gz ZNGHGCTVTPNCTD-OAHLLOKOSA-N 1 2 408.458 3.677 50 5 HHBALO Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048326847 568439730 /nfs/dbraw/zinc/43/97/30/568439730.db2.gz CJJVNCCIGITZHB-UHFFFAOYSA-N 1 2 407.430 3.670 50 5 HHBALO CCN(CC)S(=O)(=O)c1ccc(-n2c[nH+]c3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000007982169 568963796 /nfs/dbraw/zinc/96/37/96/568963796.db2.gz LFZVBEWCCQCJFV-UHFFFAOYSA-N 1 2 402.476 3.581 50 5 HHBALO Cc1cccc2[nH+]c(CNC(=O)c3ccc(N4C[C@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000170623484 569249787 /nfs/dbraw/zinc/24/97/87/569249787.db2.gz MZZOBBBXYYIGRH-IYBDPMFKSA-N 1 2 421.501 3.963 50 5 HHBALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012971694 569405437 /nfs/dbraw/zinc/40/54/37/569405437.db2.gz BZLCVDWYNYRMGP-GOSISDBHSA-N 1 2 411.458 3.840 50 5 HHBALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012971694 569405439 /nfs/dbraw/zinc/40/54/39/569405439.db2.gz BZLCVDWYNYRMGP-GOSISDBHSA-N 1 2 411.458 3.840 50 5 HHBALO COc1ccccc1NC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000079059081 569426176 /nfs/dbraw/zinc/42/61/76/569426176.db2.gz RONXYTXEPIDIQF-UHFFFAOYSA-N 1 2 409.446 3.730 50 5 HHBALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C ZINC000012766748 568948710 /nfs/dbraw/zinc/94/87/10/568948710.db2.gz ZHVRFJZJYRPRMT-KRWDZBQOSA-N 1 2 410.474 3.501 50 5 HHBALO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C ZINC000012766748 568948711 /nfs/dbraw/zinc/94/87/11/568948711.db2.gz ZHVRFJZJYRPRMT-KRWDZBQOSA-N 1 2 410.474 3.501 50 5 HHBALO C[N@@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035808515 569060934 /nfs/dbraw/zinc/06/09/34/569060934.db2.gz LTSSNJKYSUGPMN-AYPBNUJASA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000035808515 569060935 /nfs/dbraw/zinc/06/09/35/569060935.db2.gz LTSSNJKYSUGPMN-AYPBNUJASA-N 1 2 417.421 3.564 50 5 HHBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000019683153 569428390 /nfs/dbraw/zinc/42/83/90/569428390.db2.gz YKMDBUSNGMKVMZ-UHFFFAOYSA-N 1 2 407.426 3.939 50 5 HHBALO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c(Cl)c1 ZINC000072312226 558800037 /nfs/dbraw/zinc/80/00/37/558800037.db2.gz PAZNAAMKIKBRET-UHFFFAOYSA-N 1 2 421.288 3.657 50 5 HHBALO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)c(Cl)c1 ZINC000072312226 558800038 /nfs/dbraw/zinc/80/00/38/558800038.db2.gz PAZNAAMKIKBRET-UHFFFAOYSA-N 1 2 421.288 3.657 50 5 HHBALO COc1ccc(CCC2CC[NH+](Cn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 ZINC000048312187 568437554 /nfs/dbraw/zinc/43/75/54/568437554.db2.gz QHKMBEKRNBZQBK-UHFFFAOYSA-N 1 2 411.458 3.814 50 5 HHBALO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057456086 568837893 /nfs/dbraw/zinc/83/78/93/568837893.db2.gz LVVMJCXRRUQNNZ-KRWDZBQOSA-N 1 2 419.485 3.601 50 5 HHBALO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c([N+](=O)[O-])cc1OC ZINC000012922531 569023300 /nfs/dbraw/zinc/02/33/00/569023300.db2.gz WNHPCVVAXAUHOG-LBPRGKRZSA-N 1 2 420.491 3.553 50 5 HHBALO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c([N+](=O)[O-])cc1OC ZINC000012922531 569023301 /nfs/dbraw/zinc/02/33/01/569023301.db2.gz WNHPCVVAXAUHOG-LBPRGKRZSA-N 1 2 420.491 3.553 50 5 HHBALO Cc1ccc(-c2noc([C@H](C)N3CC[NH+](Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 ZINC000026599484 569041819 /nfs/dbraw/zinc/04/18/19/569041819.db2.gz KSGAEXZMTZETIA-KRWDZBQOSA-N 1 2 407.474 3.832 50 5 HHBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000026902078 569060066 /nfs/dbraw/zinc/06/00/66/569060066.db2.gz QYNCBQBMZPHCPZ-SFHVURJKSA-N 1 2 413.371 3.608 50 5 HHBALO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 ZINC000040118758 571175027 /nfs/dbraw/zinc/17/50/27/571175027.db2.gz ZICPXEZYRFADNR-INIZCTEOSA-N 1 2 400.460 3.888 50 5 HHBALO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)n2)cc1 ZINC000040118758 571175029 /nfs/dbraw/zinc/17/50/29/571175029.db2.gz ZICPXEZYRFADNR-INIZCTEOSA-N 1 2 400.460 3.888 50 5 HHBALO O=c1[nH]c(C=Cc2ccc(O)c([N+](=O)[O-])c2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000089835016 969038748 /nfs/dbraw/zinc/03/87/48/969038748.db2.gz JTYPWCVMZDPROU-VQHVLOKHSA-N 1 2 404.426 3.525 50 5 HHBALO O=c1[nH]c(C=Cc2ccc(O)c([N+](=O)[O-])c2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000089835016 969038755 /nfs/dbraw/zinc/03/87/55/969038755.db2.gz JTYPWCVMZDPROU-VQHVLOKHSA-N 1 2 404.426 3.525 50 5 HHBALO COc1ccc(C(=O)Nc2ccc(C3=CSC4=[NH+]CCCN34)cc2)cc1[N+](=O)[O-] ZINC000012902219 569020895 /nfs/dbraw/zinc/02/08/95/569020895.db2.gz RBLISOXFFLBMRG-UHFFFAOYSA-N 1 2 410.455 3.963 50 5 HHBALO C[NH+](C)[C@@H](CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000032869517 522030133 /nfs/dbraw/zinc/03/01/33/522030133.db2.gz VKKHKLFQYYOYLZ-SFHVURJKSA-N 1 2 420.872 3.994 50 5 HHBALO CCN(CC)c1cc(C)c2cc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000004757350 559048800 /nfs/dbraw/zinc/04/88/00/559048800.db2.gz CHGWXAGGMDBODK-UHFFFAOYSA-N 1 2 410.478 3.750 50 5 HHBALO Cn1ccnc1C(=O)c1ccc(NCc2cccc(-c3[nH]cc[nH+]3)c2)c([N+](=O)[O-])c1 ZINC000095460523 568620253 /nfs/dbraw/zinc/62/02/53/568620253.db2.gz GICXNLAFWDJUPP-UHFFFAOYSA-N 1 2 402.414 3.562 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCNC(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000055549717 568779085 /nfs/dbraw/zinc/77/90/85/568779085.db2.gz SJCBGVAJUMPFCY-UHFFFAOYSA-N 1 2 417.897 3.500 50 5 HHBALO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003537504 568913665 /nfs/dbraw/zinc/91/36/65/568913665.db2.gz AYJGXZRJYPXRAO-UHFFFAOYSA-N 1 2 424.417 3.594 50 5 HHBALO O=[N+]([O-])c1cc(CSc2[nH+]cnc3c2cnn3-c2ccccc2)c2c(c1)COCO2 ZINC000003550343 568914421 /nfs/dbraw/zinc/91/44/21/568914421.db2.gz KSHMMMQZFLILCY-UHFFFAOYSA-N 1 2 421.438 3.883 50 5 HHBALO O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000016003229 569025482 /nfs/dbraw/zinc/02/54/82/569025482.db2.gz MNDKQROYYHTFRI-UHFFFAOYSA-N 1 2 424.482 3.627 50 5 HHBALO O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000016003229 569025483 /nfs/dbraw/zinc/02/54/83/569025483.db2.gz MNDKQROYYHTFRI-UHFFFAOYSA-N 1 2 424.482 3.627 50 5 HHBALO COc1ccc(Br)cc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000016591899 569060108 /nfs/dbraw/zinc/06/01/08/569060108.db2.gz IPFWCJNPYZFQKZ-UHFFFAOYSA-N 1 2 422.279 3.745 50 5 HHBALO COc1ccc(Br)cc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000016591899 569060109 /nfs/dbraw/zinc/06/01/09/569060109.db2.gz IPFWCJNPYZFQKZ-UHFFFAOYSA-N 1 2 422.279 3.745 50 5 HHBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc2c3c(cccc31)CC2 ZINC000055149535 569390893 /nfs/dbraw/zinc/39/08/93/569390893.db2.gz MHPNTYLCJHSMCH-UHFFFAOYSA-N 1 2 416.481 3.607 50 5 HHBALO Nc1ncnc(N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000020389338 527574271 /nfs/dbraw/zinc/57/42/71/527574271.db2.gz VBKXRKTZAJYNTK-GOSISDBHSA-N 1 2 424.892 3.532 50 5 HHBALO Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048236668 568432599 /nfs/dbraw/zinc/43/25/99/568432599.db2.gz MCVSRUQNNMKKOV-UHFFFAOYSA-N 1 2 407.430 3.670 50 5 HHBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020100673 568587990 /nfs/dbraw/zinc/58/79/90/568587990.db2.gz YNHSXVLGQBDGQZ-UHFFFAOYSA-N 1 2 424.501 3.670 50 5 HHBALO C[N@@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000015970657 569025142 /nfs/dbraw/zinc/02/51/42/569025142.db2.gz LTSSNJKYSUGPMN-CGYQNGNCSA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000015970657 569025143 /nfs/dbraw/zinc/02/51/43/569025143.db2.gz LTSSNJKYSUGPMN-CGYQNGNCSA-N 1 2 417.421 3.564 50 5 HHBALO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000040154730 571202015 /nfs/dbraw/zinc/20/20/15/571202015.db2.gz AVZSGVNSKZGRFL-LJQANCHMSA-N 1 2 419.865 3.659 50 5 HHBALO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000040154730 571202019 /nfs/dbraw/zinc/20/20/19/571202019.db2.gz AVZSGVNSKZGRFL-LJQANCHMSA-N 1 2 419.865 3.659 50 5 HHBALO C[N@H+](CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1N1CCCCC1 ZINC000015103761 558722971 /nfs/dbraw/zinc/72/29/71/558722971.db2.gz VNCUFGAKYYGNOY-UHFFFAOYSA-N 1 2 400.454 3.795 50 5 HHBALO C[N@@H+](CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1N1CCCCC1 ZINC000015103761 558722974 /nfs/dbraw/zinc/72/29/74/558722974.db2.gz VNCUFGAKYYGNOY-UHFFFAOYSA-N 1 2 400.454 3.795 50 5 HHBALO O=C(c1cc(F)ccc1F)C1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000048289338 568434951 /nfs/dbraw/zinc/43/49/51/568434951.db2.gz YCEKPPAGRUCVBH-UHFFFAOYSA-N 1 2 400.385 3.775 50 5 HHBALO COc1cc(CN2CC[NH+](Cc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC ZINC000000865219 568713760 /nfs/dbraw/zinc/71/37/60/568713760.db2.gz YFHQCKBIYISACF-UHFFFAOYSA-N 1 2 405.882 3.583 50 5 HHBALO O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000024968583 558622872 /nfs/dbraw/zinc/62/28/72/558622872.db2.gz BOEXXMYMKUIGPO-UHFFFAOYSA-N 1 2 418.522 3.846 50 5 HHBALO COc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1Br ZINC000004952856 559215620 /nfs/dbraw/zinc/21/56/20/559215620.db2.gz WDKUIJKKNOAHND-UHFFFAOYSA-N 1 2 420.307 3.684 50 5 HHBALO C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105721661 560877016 /nfs/dbraw/zinc/87/70/16/560877016.db2.gz GBSUAXYGOLFQOM-ZACQAIPSSA-N 1 2 412.490 3.566 50 5 HHBALO C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105721661 560877017 /nfs/dbraw/zinc/87/70/17/560877017.db2.gz GBSUAXYGOLFQOM-ZACQAIPSSA-N 1 2 412.490 3.566 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1C ZINC000007927446 569327470 /nfs/dbraw/zinc/32/74/70/569327470.db2.gz YGPWNWLAZHLKHR-MRXNPFEDSA-N 1 2 403.504 3.893 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1C ZINC000007927446 569327471 /nfs/dbraw/zinc/32/74/71/569327471.db2.gz YGPWNWLAZHLKHR-MRXNPFEDSA-N 1 2 403.504 3.893 50 5 HHBALO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](Cc4c(F)cccc4Cl)CC3)cc2N1 ZINC000040139303 571189209 /nfs/dbraw/zinc/18/92/09/571189209.db2.gz XNLHXKDZJQNWGI-UHFFFAOYSA-N 1 2 418.856 3.594 50 5 HHBALO COc1ccc(C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c2ccccc12 ZINC000004846126 559169154 /nfs/dbraw/zinc/16/91/54/559169154.db2.gz JLIXMFKFXLFZRQ-UHFFFAOYSA-N 1 2 405.454 3.739 50 5 HHBALO COc1cc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC ZINC000000998527 568759990 /nfs/dbraw/zinc/75/99/90/568759990.db2.gz IQGAWCOETWEXAN-UHFFFAOYSA-N 1 2 405.882 3.583 50 5 HHBALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000057456083 568837919 /nfs/dbraw/zinc/83/79/19/568837919.db2.gz LVVMJCXRRUQNNZ-QGZVFWFLSA-N 1 2 419.485 3.601 50 5 HHBALO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515680 569058366 /nfs/dbraw/zinc/05/83/66/569058366.db2.gz BRVCBGPWOHWNIG-AWEZNQCLSA-N 1 2 422.407 3.763 50 5 HHBALO Cc1c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000012973431 569405459 /nfs/dbraw/zinc/40/54/59/569405459.db2.gz FPCFBVYKOBHQIO-IBGZPJMESA-N 1 2 411.458 3.840 50 5 HHBALO Cc1c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000012973431 569405460 /nfs/dbraw/zinc/40/54/60/569405460.db2.gz FPCFBVYKOBHQIO-IBGZPJMESA-N 1 2 411.458 3.840 50 5 HHBALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000008749293 571111863 /nfs/dbraw/zinc/11/18/63/571111863.db2.gz IAFZNJLHGXXGLT-GFCCVEGCSA-N 1 2 407.854 3.724 50 5 HHBALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000008749293 571111867 /nfs/dbraw/zinc/11/18/67/571111867.db2.gz IAFZNJLHGXXGLT-GFCCVEGCSA-N 1 2 407.854 3.724 50 5 HHBALO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000008749290 571111872 /nfs/dbraw/zinc/11/18/72/571111872.db2.gz IAFZNJLHGXXGLT-LBPRGKRZSA-N 1 2 407.854 3.724 50 5 HHBALO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000008749290 571111875 /nfs/dbraw/zinc/11/18/75/571111875.db2.gz IAFZNJLHGXXGLT-LBPRGKRZSA-N 1 2 407.854 3.724 50 5 HHBALO Cc1csc(Sc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2[N+](=O)[O-])n1 ZINC000008778720 571118482 /nfs/dbraw/zinc/11/84/82/571118482.db2.gz AMXBGESNXCUVEY-UHFFFAOYSA-N 1 2 403.489 3.528 50 5 HHBALO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000009517050 571265102 /nfs/dbraw/zinc/26/51/02/571265102.db2.gz DVTNVPWDEZKDCN-UHFFFAOYSA-N 1 2 413.333 3.866 50 5 HHBALO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021848354 568754702 /nfs/dbraw/zinc/75/47/02/568754702.db2.gz DRPQVYXEYKCUQN-CQSZACIVSA-N 1 2 422.407 3.763 50 5 HHBALO Cc1cccc2[nH+]c(CNC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000170623486 569249813 /nfs/dbraw/zinc/24/98/13/569249813.db2.gz MZZOBBBXYYIGRH-HZPDHXFCSA-N 1 2 421.501 3.963 50 5 HHBALO Cc1cccc2[nH+]c(CNC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cn21 ZINC000170623485 569249817 /nfs/dbraw/zinc/24/98/17/569249817.db2.gz MZZOBBBXYYIGRH-HOTGVXAUSA-N 1 2 421.501 3.963 50 5 HHBALO C[N@@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000017045099 569272049 /nfs/dbraw/zinc/27/20/49/569272049.db2.gz ZXABMUGOSSOPLJ-CGYQNGNCSA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000017045099 569272050 /nfs/dbraw/zinc/27/20/50/569272050.db2.gz ZXABMUGOSSOPLJ-CGYQNGNCSA-N 1 2 417.421 3.564 50 5 HHBALO CC[C@@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)N1CCOCC1 ZINC000004598445 558834258 /nfs/dbraw/zinc/83/42/58/558834258.db2.gz JHFHUWGRQADCRB-LJQANCHMSA-N 1 2 406.511 3.765 50 5 HHBALO C[C@@H]1C[C@@H](C)C[NH+]([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000035318103 569031408 /nfs/dbraw/zinc/03/14/08/569031408.db2.gz PRHBYPNOJYQGAP-PZPWOCDFSA-N 1 2 417.506 3.791 50 5 HHBALO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012592029 132364761 /nfs/dbraw/zinc/36/47/61/132364761.db2.gz ZGQMBVSYNXAVPL-KRWDZBQOSA-N 1 2 419.485 3.601 50 5 HHBALO Cc1ccc(C(=O)NC[C@H](c2cccnc2)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022906604 557852597 /nfs/dbraw/zinc/85/25/97/557852597.db2.gz BDNWIBOFNUJWOU-HSZRJFAPSA-N 1 2 416.481 3.828 50 5 HHBALO Cc1ccc(C(=O)NC[C@H](c2cccnc2)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022906604 557852600 /nfs/dbraw/zinc/85/26/00/557852600.db2.gz BDNWIBOFNUJWOU-HSZRJFAPSA-N 1 2 416.481 3.828 50 5 HHBALO O=c1nc2c3ccc(F)cc3nc(C[NH+]3CCCCCC3)n2nc1-c1ccccc1 ZINC000585157971 559063798 /nfs/dbraw/zinc/06/37/98/559063798.db2.gz YJDRUSRJTJYDPA-UHFFFAOYSA-N 1 2 403.461 3.820 50 5 HHBALO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000018214067 560784785 /nfs/dbraw/zinc/78/47/85/560784785.db2.gz PSHMOZSGCODCPL-UHFFFAOYSA-N 1 2 411.483 3.572 50 5 HHBALO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000021848357 568754745 /nfs/dbraw/zinc/75/47/45/568754745.db2.gz DRPQVYXEYKCUQN-AWEZNQCLSA-N 1 2 422.407 3.763 50 5 HHBALO COc1cc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F ZINC000029499317 568827107 /nfs/dbraw/zinc/82/71/07/568827107.db2.gz ZKANKESNRHPBFD-UHFFFAOYSA-N 1 2 419.388 3.553 50 5 HHBALO COc1cc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1OC(F)F ZINC000029499317 568827108 /nfs/dbraw/zinc/82/71/08/568827108.db2.gz ZKANKESNRHPBFD-UHFFFAOYSA-N 1 2 419.388 3.553 50 5 HHBALO Cc1cc(N(Cc2cccnc2)C[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000084114688 568938664 /nfs/dbraw/zinc/93/86/64/568938664.db2.gz GJQFBHSCYYQEBB-HXUWFJFHSA-N 1 2 405.458 3.941 50 5 HHBALO Cc1noc(C)c1C[NH+]1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000032911800 526504051 /nfs/dbraw/zinc/50/40/51/526504051.db2.gz QBINXUABSLDYMD-UHFFFAOYSA-N 1 2 420.469 3.753 50 5 HHBALO Cc1ccc([C@@H](CNc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)[NH+]2CCOCC2)o1 ZINC000048288488 568434813 /nfs/dbraw/zinc/43/48/13/568434813.db2.gz YRQSWVUTXKEPBS-LJQANCHMSA-N 1 2 423.473 3.747 50 5 HHBALO O=[N+]([O-])c1ccc(C[C@@H](O)[NH+]2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000001023602 568763390 /nfs/dbraw/zinc/76/33/90/568763390.db2.gz NOLLQEWYOWVTOO-GOSISDBHSA-N 1 2 418.906 3.541 50 5 HHBALO CC(C)NC(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000028740620 568805553 /nfs/dbraw/zinc/80/55/53/568805553.db2.gz YWKCYIBRVHTOEE-UHFFFAOYSA-N 1 2 422.938 3.770 50 5 HHBALO C[N@@H+](Cc1ccc(Br)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000031653129 568837463 /nfs/dbraw/zinc/83/74/63/568837463.db2.gz GJVLSDPLCRGFGD-UHFFFAOYSA-N 1 2 402.252 3.705 50 5 HHBALO C[N@H+](Cc1ccc(Br)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000031653129 568837465 /nfs/dbraw/zinc/83/74/65/568837465.db2.gz GJVLSDPLCRGFGD-UHFFFAOYSA-N 1 2 402.252 3.705 50 5 HHBALO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000015765142 568992159 /nfs/dbraw/zinc/99/21/59/568992159.db2.gz XQUXCLBSPJJNHM-UHFFFAOYSA-N 1 2 411.483 3.646 50 5 HHBALO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000016515676 569058372 /nfs/dbraw/zinc/05/83/72/569058372.db2.gz BRVCBGPWOHWNIG-CQSZACIVSA-N 1 2 422.407 3.763 50 5 HHBALO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000040154731 571201971 /nfs/dbraw/zinc/20/19/71/571201971.db2.gz JRPRDQVYSRMOSG-IBGZPJMESA-N 1 2 419.865 3.659 50 5 HHBALO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000040154731 571201972 /nfs/dbraw/zinc/20/19/72/571201972.db2.gz JRPRDQVYSRMOSG-IBGZPJMESA-N 1 2 419.865 3.659 50 5 HHBALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000003649683 132267752 /nfs/dbraw/zinc/26/77/52/132267752.db2.gz DWMAENBJJVFBBN-UHFFFAOYSA-N 1 2 406.442 3.849 50 5 HHBALO COc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1O ZINC000005329674 132304884 /nfs/dbraw/zinc/30/48/84/132304884.db2.gz HXWWECQBQHBBMC-UHFFFAOYSA-N 1 2 411.380 3.650 50 5 HHBALO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000012521548 132361603 /nfs/dbraw/zinc/36/16/03/132361603.db2.gz XGZUURRNGOGHQF-UHFFFAOYSA-N 1 2 422.457 3.670 50 5 HHBALO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048355556 568441552 /nfs/dbraw/zinc/44/15/52/568441552.db2.gz GJANBYUYIKIQIC-ZDUSSCGKSA-N 1 2 400.435 3.717 50 5 HHBALO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000020108473 568588474 /nfs/dbraw/zinc/58/84/74/568588474.db2.gz PRHBYPNOJYQGAP-LRAJWGHMSA-N 1 2 417.506 3.791 50 5 HHBALO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000020108473 568588476 /nfs/dbraw/zinc/58/84/76/568588476.db2.gz PRHBYPNOJYQGAP-LRAJWGHMSA-N 1 2 417.506 3.791 50 5 HHBALO Cc1ccc(Cl)c(NC(=O)NCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000055545162 568779119 /nfs/dbraw/zinc/77/91/19/568779119.db2.gz NHKUEFLDPVLXEX-UHFFFAOYSA-N 1 2 417.897 3.500 50 5 HHBALO Cn1cc[nH+]c1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000012551028 568853064 /nfs/dbraw/zinc/85/30/64/568853064.db2.gz MXMYFOGWMCLJGT-QGZVFWFLSA-N 1 2 420.878 3.587 50 5 HHBALO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000003565695 568916233 /nfs/dbraw/zinc/91/62/33/568916233.db2.gz RYOIHNKXNSHPCN-UHFFFAOYSA-N 1 2 424.482 3.627 50 5 HHBALO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003565695 568916234 /nfs/dbraw/zinc/91/62/34/568916234.db2.gz RYOIHNKXNSHPCN-UHFFFAOYSA-N 1 2 424.482 3.627 50 5 HHBALO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304568 568922593 /nfs/dbraw/zinc/92/25/93/568922593.db2.gz GVFAGNBQNJJYFP-RDJZCZTQSA-N 1 2 408.930 3.550 50 5 HHBALO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000069056467 571180790 /nfs/dbraw/zinc/18/07/90/571180790.db2.gz KAAACVHVGOQPBV-AWEZNQCLSA-N 1 2 422.407 3.763 50 5 HHBALO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154729 571201999 /nfs/dbraw/zinc/20/19/99/571201999.db2.gz AVZSGVNSKZGRFL-IBGZPJMESA-N 1 2 419.865 3.659 50 5 HHBALO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000040154729 571202001 /nfs/dbraw/zinc/20/20/01/571202001.db2.gz AVZSGVNSKZGRFL-IBGZPJMESA-N 1 2 419.865 3.659 50 5 HHBALO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c1C ZINC000012588502 132364690 /nfs/dbraw/zinc/36/46/90/132364690.db2.gz SFUJEXDXNIEUMQ-UHFFFAOYSA-N 1 2 419.485 3.521 50 5 HHBALO COc1cccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)c1 ZINC000058039204 568879478 /nfs/dbraw/zinc/87/94/78/568879478.db2.gz XYBDCIRVWBSKBX-OAHLLOKOSA-N 1 2 409.446 3.537 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170599733 569242808 /nfs/dbraw/zinc/24/28/08/569242808.db2.gz RIMMFJNLNBAKMV-CCKFTAQKSA-N 1 2 418.490 3.936 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000170599733 569242809 /nfs/dbraw/zinc/24/28/09/569242809.db2.gz RIMMFJNLNBAKMV-CCKFTAQKSA-N 1 2 418.490 3.936 50 5 HHBALO C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000040081302 571156003 /nfs/dbraw/zinc/15/60/03/571156003.db2.gz GBSUAXYGOLFQOM-GVDBMIGSSA-N 1 2 412.490 3.566 50 5 HHBALO Cc1c(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000023106407 559010069 /nfs/dbraw/zinc/01/00/69/559010069.db2.gz NHEWYOSGJGIWRI-QHCPKHFHSA-N 1 2 419.481 3.860 50 5 HHBALO C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(c1ccccc1)c1ccccc1 ZINC000023609417 559177999 /nfs/dbraw/zinc/17/79/99/559177999.db2.gz YREBPFQAHVBMNA-UHFFFAOYSA-N 1 2 401.422 3.870 50 5 HHBALO C[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(c1ccccc1)c1ccccc1 ZINC000023609417 559178001 /nfs/dbraw/zinc/17/80/01/559178001.db2.gz YREBPFQAHVBMNA-UHFFFAOYSA-N 1 2 401.422 3.870 50 5 HHBALO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000048355557 568441482 /nfs/dbraw/zinc/44/14/82/568441482.db2.gz GJANBYUYIKIQIC-CYBMUJFWSA-N 1 2 400.435 3.717 50 5 HHBALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000012559790 568857276 /nfs/dbraw/zinc/85/72/76/568857276.db2.gz ZSENHQJYGVCYDM-UHFFFAOYSA-N 1 2 421.291 3.960 50 5 HHBALO COc1cc(C(=O)OCc2cn3cc(C)ccc3[nH+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000031170517 568916821 /nfs/dbraw/zinc/91/68/21/568916821.db2.gz QUKPFHJMNPKVHW-UHFFFAOYSA-N 1 2 407.329 3.518 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012879377 569014257 /nfs/dbraw/zinc/01/42/57/569014257.db2.gz YKIDKPRGMJDBFT-QGZVFWFLSA-N 1 2 410.474 3.501 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1C ZINC000012879377 569014258 /nfs/dbraw/zinc/01/42/58/569014258.db2.gz YKIDKPRGMJDBFT-QGZVFWFLSA-N 1 2 410.474 3.501 50 5 HHBALO C[N@@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000036331908 569139449 /nfs/dbraw/zinc/13/94/49/569139449.db2.gz ZXABMUGOSSOPLJ-AYPBNUJASA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccccc12 ZINC000036331908 569139450 /nfs/dbraw/zinc/13/94/50/569139450.db2.gz ZXABMUGOSSOPLJ-AYPBNUJASA-N 1 2 417.421 3.564 50 5 HHBALO O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3CCc2ccccc2)c1 ZINC000008973609 569390992 /nfs/dbraw/zinc/39/09/92/569390992.db2.gz QGYQDYLNWVQGHD-UHFFFAOYSA-N 1 2 422.466 3.988 50 5 HHBALO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000040154732 571201978 /nfs/dbraw/zinc/20/19/78/571201978.db2.gz JRPRDQVYSRMOSG-LJQANCHMSA-N 1 2 419.865 3.659 50 5 HHBALO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000040154732 571201979 /nfs/dbraw/zinc/20/19/79/571201979.db2.gz JRPRDQVYSRMOSG-LJQANCHMSA-N 1 2 419.865 3.659 50 5 HHBALO O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032039717 526402449 /nfs/dbraw/zinc/40/24/49/526402449.db2.gz DGOSEHOMBYWSKU-UHFFFAOYSA-N 1 2 404.348 3.772 50 5 HHBALO COc1ccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1Br ZINC000004724719 558923115 /nfs/dbraw/zinc/92/31/15/558923115.db2.gz UWJZUZBPZFJWRZ-UHFFFAOYSA-N 1 2 420.307 3.684 50 5 HHBALO Cc1cc(N2CCC[C@H]2CNC(=O)OC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078968042 560541172 /nfs/dbraw/zinc/54/11/72/560541172.db2.gz KWKXXLFBLCATQE-KRWDZBQOSA-N 1 2 413.478 3.854 50 5 HHBALO COc1ccc(OCCn2c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=[NH2+])cc1 ZINC000019953726 568586249 /nfs/dbraw/zinc/58/62/49/568586249.db2.gz VKRLXIAJSFXAAN-UHFFFAOYSA-N 1 2 418.453 3.966 50 5 HHBALO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304565 568922646 /nfs/dbraw/zinc/92/26/46/568922646.db2.gz GVFAGNBQNJJYFP-DOTOQJQBSA-N 1 2 408.930 3.550 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1C ZINC000007927445 569327402 /nfs/dbraw/zinc/32/74/02/569327402.db2.gz YGPWNWLAZHLKHR-INIZCTEOSA-N 1 2 403.504 3.893 50 5 HHBALO Cc1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1C ZINC000007927445 569327404 /nfs/dbraw/zinc/32/74/04/569327404.db2.gz YGPWNWLAZHLKHR-INIZCTEOSA-N 1 2 403.504 3.893 50 5 HHBALO Cc1c(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000012973429 569405447 /nfs/dbraw/zinc/40/54/47/569405447.db2.gz FPCFBVYKOBHQIO-LJQANCHMSA-N 1 2 411.458 3.840 50 5 HHBALO Cc1c(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000012973429 569405448 /nfs/dbraw/zinc/40/54/48/569405448.db2.gz FPCFBVYKOBHQIO-LJQANCHMSA-N 1 2 411.458 3.840 50 5 HHBALO C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040081297 571155939 /nfs/dbraw/zinc/15/59/39/571155939.db2.gz GBSUAXYGOLFQOM-YESZJQIVSA-N 1 2 412.490 3.566 50 5 HHBALO C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000040081297 571155942 /nfs/dbraw/zinc/15/59/42/571155942.db2.gz GBSUAXYGOLFQOM-YESZJQIVSA-N 1 2 412.490 3.566 50 5 HHBALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000014815311 558674048 /nfs/dbraw/zinc/67/40/48/558674048.db2.gz MGPGJQUWKROUCR-UHFFFAOYSA-N 1 2 410.477 3.629 50 5 HHBALO CC1CCN(c2ccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)cc2[N+](=O)[O-])CC1 ZINC000018104001 560775752 /nfs/dbraw/zinc/77/57/52/560775752.db2.gz CXKGITDMBBETSQ-UHFFFAOYSA-N 1 2 415.519 3.528 50 5 HHBALO CC1CCN(c2ccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)cc2[N+](=O)[O-])CC1 ZINC000018104001 560775753 /nfs/dbraw/zinc/77/57/53/560775753.db2.gz CXKGITDMBBETSQ-UHFFFAOYSA-N 1 2 415.519 3.528 50 5 HHBALO Nc1ncnc(N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000020389331 568603681 /nfs/dbraw/zinc/60/36/81/568603681.db2.gz VBKXRKTZAJYNTK-SFHVURJKSA-N 1 2 424.892 3.532 50 5 HHBALO COc1ccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1Br ZINC000000865166 568713679 /nfs/dbraw/zinc/71/36/79/568713679.db2.gz RNBNIJRPZQEZIF-UHFFFAOYSA-N 1 2 420.307 3.684 50 5 HHBALO Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012561801 132364002 /nfs/dbraw/zinc/36/40/02/132364002.db2.gz ZTKUJSLLVZWJFP-UHFFFAOYSA-N 1 2 419.485 3.521 50 5 HHBALO O=C(NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000022906541 557852463 /nfs/dbraw/zinc/85/24/63/557852463.db2.gz QWRYPUNGGNPFDS-JOCHJYFZSA-N 1 2 402.454 3.519 50 5 HHBALO O=C(NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000022906541 557852466 /nfs/dbraw/zinc/85/24/66/557852466.db2.gz QWRYPUNGGNPFDS-JOCHJYFZSA-N 1 2 402.454 3.519 50 5 HHBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000095351447 568600961 /nfs/dbraw/zinc/60/09/61/568600961.db2.gz GDWBQBZWQOKNGX-UHFFFAOYSA-N 1 2 423.391 3.707 50 5 HHBALO COc1ccc(Br)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055543425 568779100 /nfs/dbraw/zinc/77/91/00/568779100.db2.gz ZCBCFHWBBIEQRO-UHFFFAOYSA-N 1 2 406.280 3.688 50 5 HHBALO O=C(CN1CC[NH+](C/C=C/c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002647476 568793415 /nfs/dbraw/zinc/79/34/15/568793415.db2.gz ZOFREJJBURTLCF-QPJJXVBHSA-N 1 2 414.893 3.518 50 5 HHBALO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000003626188 568920880 /nfs/dbraw/zinc/92/08/80/568920880.db2.gz PRHBYPNOJYQGAP-VTJXTGGHSA-N 1 2 417.506 3.791 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000253370487 569364769 /nfs/dbraw/zinc/36/47/69/569364769.db2.gz RIMMFJNLNBAKMV-ZMYBRWDISA-N 1 2 418.490 3.936 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000253370487 569364770 /nfs/dbraw/zinc/36/47/70/569364770.db2.gz RIMMFJNLNBAKMV-ZMYBRWDISA-N 1 2 418.490 3.936 50 5 HHBALO CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000012628114 569402196 /nfs/dbraw/zinc/40/21/96/569402196.db2.gz XDXVEVCSXIXUBH-UHFFFAOYSA-N 1 2 407.430 3.515 50 5 HHBALO O=C(CSc1[nH+]cnc2c1cnn2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005561726 560618410 /nfs/dbraw/zinc/61/84/10/560618410.db2.gz VQCIIVYFQBFWLJ-UHFFFAOYSA-N 1 2 405.439 3.758 50 5 HHBALO O=C(c1cc(F)ccc1F)C1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048273915 568434107 /nfs/dbraw/zinc/43/41/07/568434107.db2.gz HEPHCRFXEPYZBY-UHFFFAOYSA-N 1 2 400.385 3.775 50 5 HHBALO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096003715 568682110 /nfs/dbraw/zinc/68/21/10/568682110.db2.gz ZGLQQSGJNDRRAI-UHFFFAOYSA-N 1 2 406.486 3.991 50 5 HHBALO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000096003715 568682112 /nfs/dbraw/zinc/68/21/12/568682112.db2.gz ZGLQQSGJNDRRAI-UHFFFAOYSA-N 1 2 406.486 3.991 50 5 HHBALO CCOc1ccc([N+](=O)[O-])cc1CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096003715 568682114 /nfs/dbraw/zinc/68/21/14/568682114.db2.gz ZGLQQSGJNDRRAI-UHFFFAOYSA-N 1 2 406.486 3.991 50 5 HHBALO Cc1ccc(Cl)cc1NC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000055545173 568779078 /nfs/dbraw/zinc/77/90/78/568779078.db2.gz ZZTMAPNEZFJXHP-UHFFFAOYSA-N 1 2 417.897 3.500 50 5 HHBALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C ZINC000012766746 568948817 /nfs/dbraw/zinc/94/88/17/568948817.db2.gz ZHVRFJZJYRPRMT-QGZVFWFLSA-N 1 2 410.474 3.501 50 5 HHBALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])cc1C ZINC000012766746 568948820 /nfs/dbraw/zinc/94/88/20/568948820.db2.gz ZHVRFJZJYRPRMT-QGZVFWFLSA-N 1 2 410.474 3.501 50 5 HHBALO O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013574189 569256173 /nfs/dbraw/zinc/25/61/73/569256173.db2.gz QSPRHSDHPFJWQU-UHFFFAOYSA-N 1 2 401.513 3.602 50 5 HHBALO COc1ccc(C[N@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000012807497 569403718 /nfs/dbraw/zinc/40/37/18/569403718.db2.gz OXHYZZWBCYIQMI-UHFFFAOYSA-N 1 2 412.471 3.797 50 5 HHBALO COc1ccc(C[N@@H+](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000012807497 569403720 /nfs/dbraw/zinc/40/37/20/569403720.db2.gz OXHYZZWBCYIQMI-UHFFFAOYSA-N 1 2 412.471 3.797 50 5 HHBALO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000012794348 558467438 /nfs/dbraw/zinc/46/74/38/558467438.db2.gz GGVOLOFFTKZODR-HNNXBMFYSA-N 1 2 411.437 3.860 50 5 HHBALO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000012794348 558467439 /nfs/dbraw/zinc/46/74/39/558467439.db2.gz GGVOLOFFTKZODR-HNNXBMFYSA-N 1 2 411.437 3.860 50 5 HHBALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000020064177 568586714 /nfs/dbraw/zinc/58/67/14/568586714.db2.gz LJTMABKMIPFULI-UHFFFAOYSA-N 1 2 409.486 3.878 50 5 HHBALO COc1ccc(Br)cc1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000096100777 568690703 /nfs/dbraw/zinc/69/07/03/568690703.db2.gz UISMUIOFJGQYEF-UHFFFAOYSA-N 1 2 420.307 3.684 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025240656 568760695 /nfs/dbraw/zinc/76/06/95/568760695.db2.gz IUXIZXPGSAJEDV-UHFFFAOYSA-N 1 2 413.352 3.573 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000025240656 568760696 /nfs/dbraw/zinc/76/06/96/568760696.db2.gz IUXIZXPGSAJEDV-UHFFFAOYSA-N 1 2 413.352 3.573 50 5 HHBALO Cc1cc(N(Cc2cccnc2)C[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000084114685 568938686 /nfs/dbraw/zinc/93/86/86/568938686.db2.gz GJQFBHSCYYQEBB-FQEVSTJZSA-N 1 2 405.458 3.941 50 5 HHBALO O=S(=O)(c1cccs1)N1CC[NH+](Cc2nc3ccccc3c3ccccc23)CC1 ZINC000036383374 569158754 /nfs/dbraw/zinc/15/87/54/569158754.db2.gz WRYNHPGMGUICOZ-UHFFFAOYSA-N 1 2 423.563 3.956 50 5 HHBALO Cc1c(NC(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cccc1[N+](=O)[O-] ZINC000068835040 571135163 /nfs/dbraw/zinc/13/51/63/571135163.db2.gz AKTQVLGOPYQGJS-UHFFFAOYSA-N 1 2 422.407 3.683 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000040154734 571202182 /nfs/dbraw/zinc/20/21/82/571202182.db2.gz UOQPJBPLULYTRM-LJQANCHMSA-N 1 2 419.865 3.659 50 5 HHBALO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000040154734 571202185 /nfs/dbraw/zinc/20/21/85/571202185.db2.gz UOQPJBPLULYTRM-LJQANCHMSA-N 1 2 419.865 3.659 50 5 HHBALO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012592023 132364766 /nfs/dbraw/zinc/36/47/66/132364766.db2.gz ZGQMBVSYNXAVPL-QGZVFWFLSA-N 1 2 419.485 3.601 50 5 HHBALO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000012794344 558467442 /nfs/dbraw/zinc/46/74/42/558467442.db2.gz GGVOLOFFTKZODR-OAHLLOKOSA-N 1 2 411.437 3.860 50 5 HHBALO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000012794344 558467444 /nfs/dbraw/zinc/46/74/44/558467444.db2.gz GGVOLOFFTKZODR-OAHLLOKOSA-N 1 2 411.437 3.860 50 5 HHBALO COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)c2ccccc12 ZINC000004846137 559169122 /nfs/dbraw/zinc/16/91/22/559169122.db2.gz CDAIDFSCJYESHA-UHFFFAOYSA-N 1 2 405.454 3.739 50 5 HHBALO COc1ccc(C[NH+]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)CC2)cc1 ZINC000024118760 559239525 /nfs/dbraw/zinc/23/95/25/559239525.db2.gz JIUWROOPQYNICV-UHFFFAOYSA-N 1 2 411.483 3.776 50 5 HHBALO Cc1cc(N2CCC[C@@H]2CNC(=O)OC(C)(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078968030 560541099 /nfs/dbraw/zinc/54/10/99/560541099.db2.gz KWKXXLFBLCATQE-QGZVFWFLSA-N 1 2 413.478 3.854 50 5 HHBALO O=c1nc2c3ccccc3nc(C[NH+]3CCCCCC3)n2nc1-c1ccc(F)cc1 ZINC000095469598 568625678 /nfs/dbraw/zinc/62/56/78/568625678.db2.gz DNAGSUYDBISMKU-UHFFFAOYSA-N 1 2 403.461 3.820 50 5 HHBALO COC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015443328 568886010 /nfs/dbraw/zinc/88/60/10/568886010.db2.gz SGMBIJCRRBBDAG-UHFFFAOYSA-N 1 2 420.469 3.560 50 5 HHBALO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012971696 569405525 /nfs/dbraw/zinc/40/55/25/569405525.db2.gz BZLCVDWYNYRMGP-SFHVURJKSA-N 1 2 411.458 3.840 50 5 HHBALO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012971696 569405526 /nfs/dbraw/zinc/40/55/26/569405526.db2.gz BZLCVDWYNYRMGP-SFHVURJKSA-N 1 2 411.458 3.840 50 5 HHBALO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000069056468 571180782 /nfs/dbraw/zinc/18/07/82/571180782.db2.gz KAAACVHVGOQPBV-CQSZACIVSA-N 1 2 422.407 3.763 50 5 HHBALO C[N@@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732399 524025418 /nfs/dbraw/zinc/02/54/18/524025418.db2.gz ZXABMUGOSSOPLJ-LQNXUBFPSA-N 1 2 417.421 3.564 50 5 HHBALO C[N@H+]1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732399 524025422 /nfs/dbraw/zinc/02/54/22/524025422.db2.gz ZXABMUGOSSOPLJ-LQNXUBFPSA-N 1 2 417.421 3.564 50 5 HHBALO O=C(NC[C@@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000022906545 557852421 /nfs/dbraw/zinc/85/24/21/557852421.db2.gz QWRYPUNGGNPFDS-QFIPXVFZSA-N 1 2 402.454 3.519 50 5 HHBALO O=C(NC[C@@H](c1cccnc1)[N@H+]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000022906545 557852423 /nfs/dbraw/zinc/85/24/23/557852423.db2.gz QWRYPUNGGNPFDS-QFIPXVFZSA-N 1 2 402.454 3.519 50 5 HHBALO CCc1cc(N2CCC([N@H+](C)CC(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072313953 558841481 /nfs/dbraw/zinc/84/14/81/558841481.db2.gz AWYQVEKUTZWFRH-UHFFFAOYSA-N 1 2 405.449 3.780 50 5 HHBALO CCc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072313953 558841482 /nfs/dbraw/zinc/84/14/82/558841482.db2.gz AWYQVEKUTZWFRH-UHFFFAOYSA-N 1 2 405.449 3.780 50 5 HHBALO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031304562 568922635 /nfs/dbraw/zinc/92/26/35/568922635.db2.gz GVFAGNBQNJJYFP-WBVHZDCISA-N 1 2 408.930 3.550 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000253370486 569364780 /nfs/dbraw/zinc/36/47/80/569364780.db2.gz RIMMFJNLNBAKMV-KYNGSXCRSA-N 1 2 418.490 3.936 50 5 HHBALO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000253370486 569364781 /nfs/dbraw/zinc/36/47/81/569364781.db2.gz RIMMFJNLNBAKMV-KYNGSXCRSA-N 1 2 418.490 3.936 50 5 HHBALO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000096297463 568720207 /nfs/dbraw/zinc/72/02/07/568720207.db2.gz ZYKMKDWDCHNWJA-UHFFFAOYSA-N 1 2 420.307 3.684 50 5 HHBALO COc1cc(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC ZINC000096836646 568764822 /nfs/dbraw/zinc/76/48/22/568764822.db2.gz AOEKQPHMMKDNCF-UHFFFAOYSA-N 1 2 405.882 3.583 50 5 HHBALO COc1cc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c([N+](=O)[O-])cc1OC ZINC000012922527 569023275 /nfs/dbraw/zinc/02/32/75/569023275.db2.gz WNHPCVVAXAUHOG-GFCCVEGCSA-N 1 2 420.491 3.553 50 5 HHBALO COc1cc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c([N+](=O)[O-])cc1OC ZINC000012922527 569023276 /nfs/dbraw/zinc/02/32/76/569023276.db2.gz WNHPCVVAXAUHOG-GFCCVEGCSA-N 1 2 420.491 3.553 50 5 HHBALO O=[N+]([O-])c1cccnc1Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1 ZINC000006847752 569153651 /nfs/dbraw/zinc/15/36/51/569153651.db2.gz SFTQQZYAYYJFSB-UHFFFAOYSA-N 1 2 416.894 3.971 50 5 HHBALO O=C(c1ccccc1)c1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000071811755 571301956 /nfs/dbraw/zinc/30/19/56/571301956.db2.gz UNXXJZDLQQMBKR-UHFFFAOYSA-N 1 2 402.454 3.543 50 5 HHBALO