smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164684238 719705653 /nfs/dbraw/zinc/70/56/53/719705653.db2.gz NTMQBPQCWHCTAL-UHFFFAOYSA-N 1 0 384.440 1.719 20 5 GDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737122 720681665 /nfs/dbraw/zinc/68/16/65/720681665.db2.gz DNDFCWSSTOFIQW-CABCVRRESA-N 1 0 393.407 1.670 20 5 GDBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164741989 720684066 /nfs/dbraw/zinc/68/40/66/720684066.db2.gz VCIZTXQREQZPCD-ZIAGYGMSSA-N 1 0 386.412 1.439 20 5 GDBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164741988 720685632 /nfs/dbraw/zinc/68/56/32/720685632.db2.gz VCIZTXQREQZPCD-UONOGXRCSA-N 1 0 386.412 1.439 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871377 721041821 /nfs/dbraw/zinc/04/18/21/721041821.db2.gz YKBWYFVVDNUDDA-HUUCEWRRSA-N 1 0 386.412 1.268 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884483 721405844 /nfs/dbraw/zinc/40/58/44/721405844.db2.gz DIUGVAAKFXWIJC-QFBILLFUSA-N 1 0 390.488 1.459 20 5 GDBDRO Cc1cnc2n1CCN(C)C21CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001164919973 721822280 /nfs/dbraw/zinc/82/22/80/721822280.db2.gz ZXLOIWIYFUZYRZ-UHFFFAOYSA-N 1 0 398.471 1.018 20 5 GDBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164926073 721856333 /nfs/dbraw/zinc/85/63/33/721856333.db2.gz HAONWXRSKNQFLF-VHSXEESVSA-N 1 0 375.260 1.906 20 5 GDBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603565323 1126227662 /nfs/dbraw/zinc/22/76/62/1126227662.db2.gz RXJQFESGQGTTKS-GOSISDBHSA-N 1 0 386.387 1.997 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161715905 530562661 /nfs/dbraw/zinc/56/26/61/530562661.db2.gz DALKTWYCLRUFPB-CYBMUJFWSA-N 1 0 391.877 1.763 20 5 GDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177304753 530701188 /nfs/dbraw/zinc/70/11/88/530701188.db2.gz UGNRJRWAWGSLHB-UHFFFAOYSA-N 1 0 386.246 1.934 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180107047 530757672 /nfs/dbraw/zinc/75/76/72/530757672.db2.gz AEYSVMPJGSSGKE-GFCCVEGCSA-N 1 0 377.438 1.677 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066580203 530763812 /nfs/dbraw/zinc/76/38/12/530763812.db2.gz YSXYFBIRBGNPIK-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000184136906 530824719 /nfs/dbraw/zinc/82/47/19/530824719.db2.gz RNQSZJZEUSASCS-UHFFFAOYSA-N 1 0 387.234 1.672 20 5 GDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000104747808 530840022 /nfs/dbraw/zinc/84/00/22/530840022.db2.gz PWGNDWASRWIGPG-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO Cc1sc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000124647892 530997980 /nfs/dbraw/zinc/99/79/80/530997980.db2.gz OUOBKYWZJCXVDK-LLVKDONJSA-N 1 0 376.504 1.127 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000130204965 531058564 /nfs/dbraw/zinc/05/85/64/531058564.db2.gz IMNKUUROKFFVFW-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO COC[C@@]1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261661741 531095343 /nfs/dbraw/zinc/09/53/43/531095343.db2.gz KPFLKZDHTMACOW-AWEZNQCLSA-N 1 0 377.850 1.604 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262165851 531110521 /nfs/dbraw/zinc/11/05/21/531110521.db2.gz HFPUXUCBEPJVCN-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290754017 531253603 /nfs/dbraw/zinc/25/36/03/531253603.db2.gz JVFFYQUJLCOXRL-SECBINFHSA-N 1 0 385.218 1.364 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000278458490 531362349 /nfs/dbraw/zinc/36/23/49/531362349.db2.gz XHZFYOBRCIOUJM-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000444167638 531395731 /nfs/dbraw/zinc/39/57/31/531395731.db2.gz MERWFJKRVOFGQI-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447242705 531421533 /nfs/dbraw/zinc/42/15/33/531421533.db2.gz DFPHSYMKKGSFRX-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO CCN1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000449523054 531471831 /nfs/dbraw/zinc/47/18/31/531471831.db2.gz XOAPCWAWZNZJLI-LLVKDONJSA-N 1 0 389.193 1.910 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000489047980 531493293 /nfs/dbraw/zinc/49/32/93/531493293.db2.gz UFOZESAXFOEZER-UHFFFAOYSA-N 1 0 380.264 1.896 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415436906 531485687 /nfs/dbraw/zinc/48/56/87/531485687.db2.gz KBSWKBZJWCPHQO-PELKAZGASA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415555707 531494388 /nfs/dbraw/zinc/49/43/88/531494388.db2.gz CBZXZMXOLOHNOS-IUCAKERBSA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415555702 531494474 /nfs/dbraw/zinc/49/44/74/531494474.db2.gz CBZXZMXOLOHNOS-BDAKNGLRSA-N 1 0 385.218 1.492 20 5 GDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCS(=O)(=O)C3)s2)cc1 ZINC000294915603 531506829 /nfs/dbraw/zinc/50/68/29/531506829.db2.gz YHIYILMOUJGNIG-INIZCTEOSA-N 1 0 382.463 1.963 20 5 GDBDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415762586 531525353 /nfs/dbraw/zinc/52/53/53/531525353.db2.gz PHZDTCURYSGCQJ-UHFFFAOYSA-N 1 0 387.234 1.930 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415751332 531525413 /nfs/dbraw/zinc/52/54/13/531525413.db2.gz WCADEVZLEZODCH-VHSXEESVSA-N 1 0 397.229 1.364 20 5 GDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415805401 531534077 /nfs/dbraw/zinc/53/40/77/531534077.db2.gz NEXCXPKKBZWMRQ-NSHDSACASA-N 1 0 399.245 1.944 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295331685 531561563 /nfs/dbraw/zinc/56/15/63/531561563.db2.gz QFMQOADXDKJIOW-LLVKDONJSA-N 1 0 377.850 1.373 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(F)F ZINC000583692918 531589854 /nfs/dbraw/zinc/58/98/54/531589854.db2.gz NTMALSKXMLBRMK-SECBINFHSA-N 1 0 399.135 1.912 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000366317957 531735520 /nfs/dbraw/zinc/73/55/20/531735520.db2.gz UUGVTWHJVFHSPM-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000592367120 531782922 /nfs/dbraw/zinc/78/29/22/531782922.db2.gz ISYZESVPEVPSGU-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000595120119 531865989 /nfs/dbraw/zinc/86/59/89/531865989.db2.gz NFZJDPFKGRFZCP-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000298313510 531876361 /nfs/dbraw/zinc/87/63/61/531876361.db2.gz HZBQZDVGXXATAK-RRFJBIMHSA-N 1 0 389.499 1.372 20 5 GDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(Br)c1 ZINC000298526569 531898887 /nfs/dbraw/zinc/89/88/87/531898887.db2.gz WDJGJIBILFUMGZ-CABCVRRESA-N 1 0 399.245 1.580 20 5 GDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000598163350 531969089 /nfs/dbraw/zinc/96/90/89/531969089.db2.gz NQHGKJNJOHVHHJ-UHFFFAOYSA-N 1 0 389.193 1.833 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599105987 532006639 /nfs/dbraw/zinc/00/66/39/532006639.db2.gz SCSXMMRTNOUYMP-CYBMUJFWSA-N 1 0 392.275 1.976 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600234922 532045274 /nfs/dbraw/zinc/04/52/74/532045274.db2.gz YHERFGAPIJLQAH-LBPRGKRZSA-N 1 0 399.245 1.427 20 5 GDBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302688747 532048060 /nfs/dbraw/zinc/04/80/60/532048060.db2.gz RDSXDJAKSNLESW-UHFFFAOYSA-N 1 0 385.262 1.876 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)ccc1Br ZINC000374184702 532113516 /nfs/dbraw/zinc/11/35/16/532113516.db2.gz AYQZGSNMJFYHRZ-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000273158325 532137545 /nfs/dbraw/zinc/13/75/45/532137545.db2.gz STIJVKRUHOPBOU-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274796444 532233229 /nfs/dbraw/zinc/23/32/29/532233229.db2.gz MKKGAOYAFRRELM-UONOGXRCSA-N 1 0 389.474 1.934 20 5 GDBDRO COC[C@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289455974 532325138 /nfs/dbraw/zinc/32/51/38/532325138.db2.gz HKUOTGVPLNYVHD-NSHDSACASA-N 1 0 380.182 1.686 20 5 GDBDRO COCCN1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263156 532320132 /nfs/dbraw/zinc/32/01/32/532320132.db2.gz AKLUSLNTXDXFPG-VIFPVBQESA-N 1 0 381.813 1.386 20 5 GDBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289521871 532326723 /nfs/dbraw/zinc/32/67/23/532326723.db2.gz NUBXEGJAZFKYDY-RNCFNFMXSA-N 1 0 392.193 1.829 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640255 607345384 /nfs/dbraw/zinc/34/53/84/607345384.db2.gz ZABVDAVJJFPZHE-HNNXBMFYSA-N 1 0 387.444 1.856 20 5 GDBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826498805 607450898 /nfs/dbraw/zinc/45/08/98/607450898.db2.gz KICFNUFLUSPGGP-MRXNPFEDSA-N 1 0 395.423 1.606 20 5 GDBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000823647242 606186545 /nfs/dbraw/zinc/18/65/45/606186545.db2.gz IRJILXVSFBVHRE-UHFFFAOYSA-N 1 0 383.416 1.184 20 5 GDBDRO C[NH+](C)CCOc1cc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])ccn1 ZINC000825870361 608100312 /nfs/dbraw/zinc/10/03/12/608100312.db2.gz ISAINQGKIBQJFO-UHFFFAOYSA-N 1 0 384.400 1.722 20 5 GDBDRO Cc1c(Br)c(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000542505645 650406700 /nfs/dbraw/zinc/40/67/00/650406700.db2.gz KJYOUBSRYUZCSM-SNVBAGLBSA-N 1 0 386.250 1.812 20 5 GDBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553149169 650638913 /nfs/dbraw/zinc/63/89/13/650638913.db2.gz YWXNYBYYEZRGGD-MRVPVSSYSA-N 1 0 378.443 1.689 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039775 644321277 /nfs/dbraw/zinc/32/12/77/644321277.db2.gz DJJBTMFUZSAMIR-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193320264 645048623 /nfs/dbraw/zinc/04/86/23/645048623.db2.gz QHLCUDPATQTKEN-MEBBXXQBSA-N 1 0 375.422 1.928 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262735193 645136449 /nfs/dbraw/zinc/13/64/49/645136449.db2.gz GISYLDUGWSCPPJ-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H]1[NH3+] ZINC000423939807 646143909 /nfs/dbraw/zinc/14/39/09/646143909.db2.gz BBBYSFCVHOPQGU-RDDDGLTNSA-N 1 0 375.166 1.619 20 5 GDBDRO CC[N@H+](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)CCC(F)(F)F ZINC000491584790 647995853 /nfs/dbraw/zinc/99/58/53/647995853.db2.gz XIDCPXMLPVHWKE-UHFFFAOYSA-N 1 0 384.380 1.928 20 5 GDBDRO Cc1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)sc1Br ZINC000579828482 651878513 /nfs/dbraw/zinc/87/85/13/651878513.db2.gz ZKRZTIBLKDUYJG-SECBINFHSA-N 1 0 376.236 1.469 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCn2cncn2)c1 ZINC000589308828 652112122 /nfs/dbraw/zinc/11/21/22/652112122.db2.gz LHTLHAKZOWBNDA-UHFFFAOYSA-N 1 0 387.181 1.971 20 5 GDBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000594878101 652384978 /nfs/dbraw/zinc/38/49/78/652384978.db2.gz MJCYGMVFDIXIDC-GHMZBOCLSA-N 1 0 384.845 1.111 20 5 GDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599927413 652518494 /nfs/dbraw/zinc/51/84/94/652518494.db2.gz WAYIROTZGKHOFC-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601345622 652567989 /nfs/dbraw/zinc/56/79/89/652567989.db2.gz FAKCCDAHTBZPGR-IUCAKERBSA-N 1 0 376.232 1.401 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1 ZINC000601966957 652611919 /nfs/dbraw/zinc/61/19/19/652611919.db2.gz GFKOWILKYBCZQI-YONQAEKCSA-N 1 0 393.241 1.843 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000609516989 652847255 /nfs/dbraw/zinc/84/72/55/652847255.db2.gz BFTRGPCARJXBBO-GFCCVEGCSA-N 1 0 394.273 1.985 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000745942803 654752095 /nfs/dbraw/zinc/75/20/95/654752095.db2.gz SJAAHWASNRVQGH-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO CN(CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803241993 654970179 /nfs/dbraw/zinc/97/01/79/654970179.db2.gz HWRRWRRXQQAPHF-TXEJJXNPSA-N 1 0 397.273 1.814 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)c1 ZINC000808334281 655106863 /nfs/dbraw/zinc/10/68/63/655106863.db2.gz IFUGOZCLBSWYIF-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810391600 655158478 /nfs/dbraw/zinc/15/84/78/655158478.db2.gz ICUSGSGOLIBGRX-UHFFFAOYSA-N 1 0 387.234 1.706 20 5 GDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000762715378 655174987 /nfs/dbraw/zinc/17/49/87/655174987.db2.gz FCEMJLJJFMDJDH-ZDUSSCGKSA-N 1 0 376.182 1.293 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000813741838 655244851 /nfs/dbraw/zinc/24/48/51/655244851.db2.gz VHVODUBQFQOCIW-ZANVPECISA-N 1 0 390.259 1.682 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000815015607 655278382 /nfs/dbraw/zinc/27/83/82/655278382.db2.gz NIKCVEWOFIHRAN-UHFFFAOYSA-N 1 0 395.840 1.512 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841146659 655310310 /nfs/dbraw/zinc/31/03/10/655310310.db2.gz SIKUJOBEUODJBZ-SNVBAGLBSA-N 1 0 399.245 1.754 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841150269 655310525 /nfs/dbraw/zinc/31/05/25/655310525.db2.gz UMOPFOYBOSKKBO-SECBINFHSA-N 1 0 385.218 1.472 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000841162193 655311367 /nfs/dbraw/zinc/31/13/67/655311367.db2.gz XYFQWYXPKSGEID-VIFPVBQESA-N 1 0 385.218 1.425 20 5 GDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841186493 655312783 /nfs/dbraw/zinc/31/27/83/655312783.db2.gz FQNZFEFEPSNAOG-UHFFFAOYSA-N 1 0 387.234 1.930 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842479922 655366754 /nfs/dbraw/zinc/36/67/54/655366754.db2.gz JHUKVSNQEJNLDD-DTWKUNHWSA-N 1 0 378.248 1.763 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC000842775865 655376326 /nfs/dbraw/zinc/37/63/26/655376326.db2.gz GYQTYDFWVTVJQY-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842836326 655380464 /nfs/dbraw/zinc/38/04/64/655380464.db2.gz RBAAEVISBIACEJ-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842847984 655380739 /nfs/dbraw/zinc/38/07/39/655380739.db2.gz NYTCCYRXIBAOGT-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000843083769 655388148 /nfs/dbraw/zinc/38/81/48/655388148.db2.gz KBAKINNRDKKTJS-GXFFZTMASA-N 1 0 375.212 1.782 20 5 GDBDRO CSc1ccc(S(=O)(=O)NCC(=O)OCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000825265176 655486853 /nfs/dbraw/zinc/48/68/53/655486853.db2.gz KYXMMCAIZDSZHO-UHFFFAOYSA-N 1 0 391.471 1.090 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000850843894 655570004 /nfs/dbraw/zinc/57/00/04/655570004.db2.gz RKQWJMYJEIESQO-UHFFFAOYSA-N 1 0 399.245 1.992 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858615757 655750426 /nfs/dbraw/zinc/75/04/26/655750426.db2.gz KUZBMJHSFICQIB-ZDUSSCGKSA-N 1 0 392.275 1.976 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOCC1 ZINC000858630133 655751375 /nfs/dbraw/zinc/75/13/75/655751375.db2.gz LZHVKZRRKILTPK-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865181049 655913946 /nfs/dbraw/zinc/91/39/46/655913946.db2.gz YAADEKJYUPWXNU-UHFFFAOYSA-N 1 0 388.262 1.936 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000866618790 655951806 /nfs/dbraw/zinc/95/18/06/655951806.db2.gz KYXMBEVAXFTZQB-UHFFFAOYSA-N 1 0 377.850 1.594 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1Br ZINC000866828714 655967866 /nfs/dbraw/zinc/96/78/66/655967866.db2.gz XPIGDIRYNKPHPG-WCQYABFASA-N 1 0 390.259 1.872 20 5 GDBDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000867581808 656088066 /nfs/dbraw/zinc/08/80/66/656088066.db2.gz MWUZRQMYSWIBOJ-UHFFFAOYSA-N 1 0 377.488 1.635 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CCN(c2ncc[nH]2)CC1 ZINC000867832467 656123006 /nfs/dbraw/zinc/12/30/06/656123006.db2.gz IUSMIGMYNLMUAQ-UHFFFAOYSA-N 1 0 394.229 1.972 20 5 GDBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000885882879 657582899 /nfs/dbraw/zinc/58/28/99/657582899.db2.gz LTGPGBLHQASZDR-LLVKDONJSA-N 1 0 399.245 1.735 20 5 GDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164738169 720721220 /nfs/dbraw/zinc/72/12/20/720721220.db2.gz DWSBFNCNIBMBRK-QWHCGFSZSA-N 1 0 381.396 1.603 20 5 GDBDRO Nc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747330 720833904 /nfs/dbraw/zinc/83/39/04/720833904.db2.gz QEIUZFYJEDMXKJ-YQQAZPJKSA-N 1 0 398.471 1.543 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164773915 721141306 /nfs/dbraw/zinc/14/13/06/721141306.db2.gz ZDJYCHXWELOBDM-KGLIPLIRSA-N 1 0 392.847 1.573 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892306 721431603 /nfs/dbraw/zinc/43/16/03/721431603.db2.gz IBYWMZBFZGUIRE-QFBILLFUSA-N 1 0 390.488 1.337 20 5 GDBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164926736 721866428 /nfs/dbraw/zinc/86/64/28/721866428.db2.gz SIZOSGXMPAKUQM-MNOVXSKESA-N 1 0 386.909 1.975 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164927820 721870785 /nfs/dbraw/zinc/87/07/85/721870785.db2.gz WHNJWBVRADIYSV-JKSUJKDBSA-N 1 0 377.445 1.381 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158933147 530537667 /nfs/dbraw/zinc/53/76/67/530537667.db2.gz DCVQKSUHRFFZKD-LBPRGKRZSA-N 1 0 377.850 1.373 20 5 GDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000161718015 530563310 /nfs/dbraw/zinc/56/33/10/530563310.db2.gz LTFLBZXZDBETPJ-LBPRGKRZSA-N 1 0 375.422 1.249 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000178790229 530727855 /nfs/dbraw/zinc/72/78/55/530727855.db2.gz LIJMGDUDDIFWCJ-QMMMGPOBSA-N 1 0 375.166 1.681 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000186438846 530856176 /nfs/dbraw/zinc/85/61/76/530856176.db2.gz OJERLHXUGWEVBM-LLVKDONJSA-N 1 0 375.422 1.753 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186901332 530864404 /nfs/dbraw/zinc/86/44/04/530864404.db2.gz GWOPXEPLQXVOGI-UHFFFAOYSA-N 1 0 375.422 1.705 20 5 GDBDRO Cc1sc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000123240833 530980543 /nfs/dbraw/zinc/98/05/43/530980543.db2.gz ODKWVCWLWVCELJ-UHFFFAOYSA-N 1 0 390.531 1.611 20 5 GDBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123449743 530983901 /nfs/dbraw/zinc/98/39/01/530983901.db2.gz MGWLXANEWRJFLJ-NZVBXONLSA-N 1 0 399.245 1.626 20 5 GDBDRO Cc1sc(S(=O)(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000124365560 530994289 /nfs/dbraw/zinc/99/42/89/530994289.db2.gz AOUADSRWTFJHNX-LBPRGKRZSA-N 1 0 377.488 1.336 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262177311 531111486 /nfs/dbraw/zinc/11/14/86/531111486.db2.gz BELLNXHEMXLYJZ-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000151636034 531141158 /nfs/dbraw/zinc/14/11/58/531141158.db2.gz XKFNPOICLLRXAS-LBPRGKRZSA-N 1 0 398.261 1.495 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000156209125 531204407 /nfs/dbraw/zinc/20/44/07/531204407.db2.gz SVFZJCFFWKXFOI-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440421145 531339245 /nfs/dbraw/zinc/33/92/45/531339245.db2.gz OQYDTUCIXZBDKA-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440340348 531333921 /nfs/dbraw/zinc/33/39/21/531333921.db2.gz OACCZMRSLBNTBV-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000267218554 531411817 /nfs/dbraw/zinc/41/18/17/531411817.db2.gz UEKYNSYCEQTYNJ-ZDUSSCGKSA-N 1 0 379.891 1.964 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447247998 531423339 /nfs/dbraw/zinc/42/33/39/531423339.db2.gz JXAIZWUFRQERSR-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO COCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267926923 531462273 /nfs/dbraw/zinc/46/22/73/531462273.db2.gz KJANMJSZRMSTBD-UHFFFAOYSA-N 1 0 378.198 1.804 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415403287 531483309 /nfs/dbraw/zinc/48/33/09/531483309.db2.gz ZRKNOSZSXBIJKG-SECBINFHSA-N 1 0 385.218 1.364 20 5 GDBDRO Cc1c(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc(Br)cc1[N+](=O)[O-] ZINC000415668403 531512166 /nfs/dbraw/zinc/51/21/66/531512166.db2.gz ZRANSUKXZXGHSP-LLVKDONJSA-N 1 0 386.250 1.691 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415639918 531506208 /nfs/dbraw/zinc/50/62/08/531506208.db2.gz DEQGUFYGZWFDLX-WDEREUQCSA-N 1 0 399.245 1.990 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415767918 531526697 /nfs/dbraw/zinc/52/66/97/531526697.db2.gz ZJNNVJJBPJQJKJ-QMMMGPOBSA-N 1 0 387.234 1.848 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590551491 531688893 /nfs/dbraw/zinc/68/88/93/531688893.db2.gz YKUYPPWQVDOUIC-DGCLKSJQSA-N 1 0 398.257 1.947 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000367798765 531865523 /nfs/dbraw/zinc/86/55/23/531865523.db2.gz RUHDRODSLCRZRZ-SKDRFNHKSA-N 1 0 390.259 1.730 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000595405324 531881292 /nfs/dbraw/zinc/88/12/92/531881292.db2.gz VXKNYLXBDNHJAL-GFCCVEGCSA-N 1 0 391.877 1.980 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(C(F)(F)F)c1 ZINC000370104182 531981880 /nfs/dbraw/zinc/98/18/80/531981880.db2.gz SNURANNDFHHAIA-SKDRFNHKSA-N 1 0 379.360 1.986 20 5 GDBDRO CC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000420443652 532012492 /nfs/dbraw/zinc/01/24/92/532012492.db2.gz AYRDADOOZVMVFO-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420451537 532015778 /nfs/dbraw/zinc/01/57/78/532015778.db2.gz QWORMRTWEOXUTH-JOYOIKCWSA-N 1 0 379.360 1.986 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000579124545 532056781 /nfs/dbraw/zinc/05/67/81/532056781.db2.gz YCMPJAJWFLPRTN-CYBMUJFWSA-N 1 0 384.889 1.846 20 5 GDBDRO CN(CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)S(C)(=O)=O ZINC000602510727 532079064 /nfs/dbraw/zinc/07/90/64/532079064.db2.gz MHOGKJYFYDRJOA-UHFFFAOYSA-N 1 0 386.293 1.790 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1[NH+](C)C ZINC000272182779 532082461 /nfs/dbraw/zinc/08/24/61/532082461.db2.gz SXWIGPPDCABJDX-CHWSQXEVSA-N 1 0 377.463 1.708 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000376145748 532196939 /nfs/dbraw/zinc/19/69/39/532196939.db2.gz UZELBDARVKCCSZ-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274865962 532238936 /nfs/dbraw/zinc/23/89/36/532238936.db2.gz WPGMRINLUHMWOB-OLZOCXBDSA-N 1 0 389.474 1.934 20 5 GDBDRO CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275758350 532309317 /nfs/dbraw/zinc/30/93/17/532309317.db2.gz DZENQTOQBXXDDZ-GJZGRUSLSA-N 1 0 386.499 1.258 20 5 GDBDRO O=C(NCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000289955195 532334760 /nfs/dbraw/zinc/33/47/60/532334760.db2.gz QIJRNELQYUQYDF-UHFFFAOYSA-N 1 0 389.193 1.815 20 5 GDBDRO CC[C@H](CO)[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820908333 599087113 /nfs/dbraw/zinc/08/71/13/599087113.db2.gz LAYPWBYCJPDYLM-GFCCVEGCSA-N 1 0 398.427 1.216 20 5 GDBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000738358217 598467298 /nfs/dbraw/zinc/46/72/98/598467298.db2.gz BRUVYRDUGMBDBE-UHFFFAOYSA-N 1 0 380.412 1.929 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000823640220 599640087 /nfs/dbraw/zinc/64/00/87/599640087.db2.gz XZFPUWZSNCNUTM-ZDUSSCGKSA-N 1 0 384.375 1.995 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821189375 606714886 /nfs/dbraw/zinc/71/48/86/606714886.db2.gz LCYNMXQQVKMZDX-LBPRGKRZSA-N 1 0 376.421 1.107 20 5 GDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823647128 606854547 /nfs/dbraw/zinc/85/45/47/606854547.db2.gz GKYBHTLCCDRICW-SFHVURJKSA-N 1 0 395.423 1.631 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000823620019 607165304 /nfs/dbraw/zinc/16/53/04/607165304.db2.gz GOBSPXXDSHGNHB-UHFFFAOYSA-N 1 0 380.412 1.882 20 5 GDBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261414 608303566 /nfs/dbraw/zinc/30/35/66/608303566.db2.gz YUDJDPIZHPLLOR-AWEZNQCLSA-N 1 0 375.433 1.712 20 5 GDBDRO CC(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC[NH+](C)C ZINC000534653186 650227816 /nfs/dbraw/zinc/22/78/16/650227816.db2.gz DPOXQDBBPDILEZ-NSHDSACASA-N 1 0 392.503 1.027 20 5 GDBDRO CC[C@@H](CSC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539230784 650331187 /nfs/dbraw/zinc/33/11/87/650331187.db2.gz IHZHRFBUUSBGNH-LBPRGKRZSA-N 1 0 390.531 1.988 20 5 GDBDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551496430 650607716 /nfs/dbraw/zinc/60/77/16/650607716.db2.gz VBDHJCQDBSPELX-SECBINFHSA-N 1 0 385.218 1.364 20 5 GDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567838629 650923289 /nfs/dbraw/zinc/92/32/89/650923289.db2.gz SEGHVGFKPQPQRO-JTQLQIEISA-N 1 0 375.166 1.681 20 5 GDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123471514 644695869 /nfs/dbraw/zinc/69/58/69/644695869.db2.gz YHYRJGUXYVZROV-SNVBAGLBSA-N 1 0 378.248 1.859 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124827046 644709835 /nfs/dbraw/zinc/70/98/35/644709835.db2.gz CFGBCWQLKCZYDN-VIFPVBQESA-N 1 0 378.248 1.730 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000331898046 645539451 /nfs/dbraw/zinc/53/94/51/645539451.db2.gz GKEXEKXSZIWQTO-CVEARBPZSA-N 1 0 385.511 1.936 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415531950 645896874 /nfs/dbraw/zinc/89/68/74/645896874.db2.gz VOTYKFMESVXODH-WPRPVWTQSA-N 1 0 399.245 1.800 20 5 GDBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000469350590 647707124 /nfs/dbraw/zinc/70/71/24/647707124.db2.gz WZLGEVKJUZKOHE-LLVKDONJSA-N 1 0 376.504 1.269 20 5 GDBDRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000510087586 648316791 /nfs/dbraw/zinc/31/67/91/648316791.db2.gz PZKUEIZGUNEMBC-UHFFFAOYSA-N 1 0 385.837 1.527 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000578867150 651820507 /nfs/dbraw/zinc/82/05/07/651820507.db2.gz JKKXSXFWBLXFIN-ZJUUUORDSA-N 1 0 390.259 1.587 20 5 GDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592548796 652193497 /nfs/dbraw/zinc/19/34/97/652193497.db2.gz FBHGFKYFLFYBJA-LBPRGKRZSA-N 1 0 386.202 1.334 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595384059 652415468 /nfs/dbraw/zinc/41/54/68/652415468.db2.gz IMALSTWOGIJBFD-CYBMUJFWSA-N 1 0 389.861 1.468 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000596565774 652440167 /nfs/dbraw/zinc/44/01/67/652440167.db2.gz FXSRRECNLUHFFW-NSHDSACASA-N 1 0 377.488 1.607 20 5 GDBDRO CN1CC[NH+](CC2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599969310 652520439 /nfs/dbraw/zinc/52/04/39/652520439.db2.gz AAJQYTLWOAZWQF-UHFFFAOYSA-N 1 0 397.273 1.677 20 5 GDBDRO Cc1cc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601397392 652575956 /nfs/dbraw/zinc/57/59/56/652575956.db2.gz NQEJIRSSCBDFKC-UHFFFAOYSA-N 1 0 390.531 1.659 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602597581 652642660 /nfs/dbraw/zinc/64/26/60/652642660.db2.gz VMOHSOYJAJIKNC-XCBNKYQSSA-N 1 0 375.166 1.761 20 5 GDBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000782913555 654848282 /nfs/dbraw/zinc/84/82/82/654848282.db2.gz MBGAPGODJBROEM-LLVKDONJSA-N 1 0 388.266 1.696 20 5 GDBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000810347648 655155828 /nfs/dbraw/zinc/15/58/28/655155828.db2.gz JRRRLQXURLSTIX-SNVBAGLBSA-N 1 0 399.245 1.896 20 5 GDBDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000810370410 655157113 /nfs/dbraw/zinc/15/71/13/655157113.db2.gz WMUKMIILYPAIRZ-GXSJLCMTSA-N 1 0 399.245 1.895 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)[C@@H]2C1 ZINC000813741835 655244782 /nfs/dbraw/zinc/24/47/82/655244782.db2.gz VHVODUBQFQOCIW-TVQRCGJNSA-N 1 0 390.259 1.682 20 5 GDBDRO CN(CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1cc(Br)ccc1[N+](=O)[O-] ZINC000814145251 655257711 /nfs/dbraw/zinc/25/77/11/655257711.db2.gz MHAZBHDKYDVOPA-XHDPSFHLSA-N 1 0 397.273 1.956 20 5 GDBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815020411 655279038 /nfs/dbraw/zinc/27/90/38/655279038.db2.gz XZLOEJWHCQIMNB-UHFFFAOYSA-N 1 0 381.813 1.122 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841163340 655311585 /nfs/dbraw/zinc/31/15/85/655311585.db2.gz VUHMPGXZNGMVLR-SECBINFHSA-N 1 0 385.218 1.411 20 5 GDBDRO CC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233755 655316145 /nfs/dbraw/zinc/31/61/45/655316145.db2.gz GEXYMFUZPOTVFW-UHFFFAOYSA-N 1 0 378.170 1.930 20 5 GDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842728923 655374096 /nfs/dbraw/zinc/37/40/96/655374096.db2.gz IDYDOIYHKPWNBB-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000842747153 655375105 /nfs/dbraw/zinc/37/51/05/655375105.db2.gz SBNMQXXOKJXTJS-LLVKDONJSA-N 1 0 390.259 1.872 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843097413 655388252 /nfs/dbraw/zinc/38/82/52/655388252.db2.gz ZCQXACQVVRKQEZ-SMDDNHRTSA-N 1 0 385.218 1.238 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1=O ZINC000844762830 655414617 /nfs/dbraw/zinc/41/46/17/655414617.db2.gz LUQRESUXVMAZMT-UHFFFAOYSA-N 1 0 389.239 1.748 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000848475399 655493638 /nfs/dbraw/zinc/49/36/38/655493638.db2.gz PBQBRTAWBSSXEU-AOOOYVTPSA-N 1 0 392.275 1.976 20 5 GDBDRO CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000850683472 655564330 /nfs/dbraw/zinc/56/43/30/655564330.db2.gz PJQNIOUJQZHLJY-NSHDSACASA-N 1 0 399.245 1.896 20 5 GDBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850849588 655570124 /nfs/dbraw/zinc/57/01/24/655570124.db2.gz DMVRDENIODPRKT-UHFFFAOYSA-N 1 0 383.202 1.246 20 5 GDBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000851879778 655601967 /nfs/dbraw/zinc/60/19/67/655601967.db2.gz MREHQLVTRZBLMP-GFCCVEGCSA-N 1 0 389.499 1.920 20 5 GDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000858632410 655751504 /nfs/dbraw/zinc/75/15/04/655751504.db2.gz PKCIDRPQDPKHIV-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000924990649 656690299 /nfs/dbraw/zinc/69/02/99/656690299.db2.gz WSLKWKQOKFRDNW-BDAKNGLRSA-N 1 0 376.182 1.291 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000881867744 656976729 /nfs/dbraw/zinc/97/67/29/656976729.db2.gz VIGUUNCVNAAXFE-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO CC[N@H+](CCC(N)=O)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000932479910 657189025 /nfs/dbraw/zinc/18/90/25/657189025.db2.gz ONOFDBDUHAXWSQ-UHFFFAOYSA-N 1 0 377.182 1.897 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903593642 659357498 /nfs/dbraw/zinc/35/74/98/659357498.db2.gz RPHXZJFWWLHFOY-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905428460 659452730 /nfs/dbraw/zinc/45/27/30/659452730.db2.gz UBIKTLRSCYORPF-GWCFXTLKSA-N 1 0 377.235 1.859 20 5 GDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1Cl ZINC001164420786 718913806 /nfs/dbraw/zinc/91/38/06/718913806.db2.gz NGMLMPIVSGBGEK-AWEZNQCLSA-N 1 0 392.790 1.773 20 5 GDBDRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1[N+](=O)[O-] ZINC001164817129 720244164 /nfs/dbraw/zinc/24/41/64/720244164.db2.gz PCTNTYVDAUMPAK-UHFFFAOYSA-N 1 0 387.444 1.500 20 5 GDBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164737534 720733925 /nfs/dbraw/zinc/73/39/25/720733925.db2.gz CGCHQVPYDJAVPY-CHWSQXEVSA-N 1 0 381.396 1.603 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]2C1 ZINC001164851388 720838777 /nfs/dbraw/zinc/83/87/77/720838777.db2.gz GVBKADZZENQYDA-RDTXWAMCSA-N 1 0 387.440 1.712 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164850999 720845190 /nfs/dbraw/zinc/84/51/90/720845190.db2.gz GGBRCJBNPIQPGT-IUODEOHRSA-N 1 0 381.389 1.072 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@@H]2C1 ZINC001164852028 720864314 /nfs/dbraw/zinc/86/43/14/720864314.db2.gz BSRHIIPZUVHJPT-OCCSQVGLSA-N 1 0 386.836 1.055 20 5 GDBDRO COc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164866130 721080474 /nfs/dbraw/zinc/08/04/74/721080474.db2.gz RJHCFLKZWRLWDF-DOTOQJQBSA-N 1 0 385.424 1.873 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164769104 721099414 /nfs/dbraw/zinc/09/94/14/721099414.db2.gz ODGZEPOPVWHMNF-UONOGXRCSA-N 1 0 387.400 1.590 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc(F)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164887172 721393642 /nfs/dbraw/zinc/39/36/42/721393642.db2.gz HGKZSLNWLIQWDS-QFBILLFUSA-N 1 0 393.463 1.894 20 5 GDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164787551 721439871 /nfs/dbraw/zinc/43/98/71/721439871.db2.gz XQXGKKCKNUALMW-BETUJISGSA-N 1 0 387.469 1.096 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903047 721534438 /nfs/dbraw/zinc/53/44/38/721534438.db2.gz BWEZQKQFTKCTMJ-ZFWWWQNUSA-N 1 0 389.387 1.874 20 5 GDBDRO COc1cc(C)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1[N+](=O)[O-] ZINC001165011858 721736298 /nfs/dbraw/zinc/73/62/98/721736298.db2.gz UXIXVAOFXXDMNP-UHFFFAOYSA-N 1 0 391.472 1.830 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000823630259 946458414 /nfs/dbraw/zinc/45/84/14/946458414.db2.gz UQRADKUXDOROCH-INIZCTEOSA-N 1 0 396.407 1.573 20 5 GDBDRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826158871 947501464 /nfs/dbraw/zinc/50/14/64/947501464.db2.gz GOAPNQHFFCBPMJ-SFHVURJKSA-N 1 0 398.423 1.957 20 5 GDBDRO O=C(Cn1cc(Br)cc([N+](=O)[O-])c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000158329825 530531826 /nfs/dbraw/zinc/53/18/26/530531826.db2.gz YZJMBMTVEYQWLE-UHFFFAOYSA-N 1 0 399.245 1.262 20 5 GDBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000160802314 530555412 /nfs/dbraw/zinc/55/54/12/530555412.db2.gz KDTUYTFLZZTUAU-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161406013 530559527 /nfs/dbraw/zinc/55/95/27/530559527.db2.gz HHSQQFNNRBIYKQ-UHFFFAOYSA-N 1 0 377.850 1.231 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000161716037 530563356 /nfs/dbraw/zinc/56/33/56/530563356.db2.gz DALKTWYCLRUFPB-ZDUSSCGKSA-N 1 0 391.877 1.763 20 5 GDBDRO CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000173452069 530630485 /nfs/dbraw/zinc/63/04/85/530630485.db2.gz OMWWDVYJJLJDJZ-GFCCVEGCSA-N 1 0 376.504 1.207 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000173456036 530630582 /nfs/dbraw/zinc/63/05/82/530630582.db2.gz HBHKJWTXSNZZSK-LBPRGKRZSA-N 1 0 390.893 1.410 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176722813 530689155 /nfs/dbraw/zinc/68/91/55/530689155.db2.gz YDUMUQWICLZEOK-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183918715 530821828 /nfs/dbraw/zinc/82/18/28/530821828.db2.gz NJLQOSBYXLQXCN-KBPBESRZSA-N 1 0 385.218 1.238 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000106895330 530851271 /nfs/dbraw/zinc/85/12/71/530851271.db2.gz WNIKMPSBCHRNME-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192921945 530975797 /nfs/dbraw/zinc/97/57/97/530975797.db2.gz HJMVDXWOEZPENT-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO Cc1sc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000124646408 530998510 /nfs/dbraw/zinc/99/85/10/530998510.db2.gz GVTQUDVNLPHVHT-AWEZNQCLSA-N 1 0 390.531 1.515 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000124366890 530994523 /nfs/dbraw/zinc/99/45/23/530994523.db2.gz RYRVLFPZVCLWMK-LBPRGKRZSA-N 1 0 377.488 1.480 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000124945953 531000931 /nfs/dbraw/zinc/00/09/31/531000931.db2.gz YKGFRVYZGMJYKZ-UWVGGRQHSA-N 1 0 378.248 1.906 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237724771 531049785 /nfs/dbraw/zinc/04/97/85/531049785.db2.gz LDTUHEKLCOFGQY-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262751727 531129141 /nfs/dbraw/zinc/12/91/41/531129141.db2.gz GRAZAUCTMWGTTG-UFBFGSQYSA-N 1 0 392.275 1.942 20 5 GDBDRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290150076 531212288 /nfs/dbraw/zinc/21/22/88/531212288.db2.gz CIHMAOCFRGDIJF-UHFFFAOYSA-N 1 0 399.245 1.898 20 5 GDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440414612 531338403 /nfs/dbraw/zinc/33/84/03/531338403.db2.gz ZWLPSFZQRWAGCQ-UHFFFAOYSA-N 1 0 380.264 1.963 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000440422156 531338686 /nfs/dbraw/zinc/33/86/86/531338686.db2.gz RAFBVVKNTUAUEC-LDYMZIIASA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440337444 531333943 /nfs/dbraw/zinc/33/39/43/531333943.db2.gz FOAHROZYZFHFKN-SECBINFHSA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440804231 531344499 /nfs/dbraw/zinc/34/44/99/531344499.db2.gz NLQFQOVOKXOUBK-GZMMTYOYSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000447241446 531421102 /nfs/dbraw/zinc/42/11/02/531421102.db2.gz AHCZGZPUCFSRPC-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)NC ZINC000449773252 531476670 /nfs/dbraw/zinc/47/66/70/531476670.db2.gz JRNYMAKYHIWYGG-NSHDSACASA-N 1 0 377.182 1.814 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415403289 531483141 /nfs/dbraw/zinc/48/31/41/531483141.db2.gz ZRKNOSZSXBIJKG-VIFPVBQESA-N 1 0 385.218 1.364 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415489177 531489740 /nfs/dbraw/zinc/48/97/40/531489740.db2.gz IQCUGCGDOKUIDC-NSHDSACASA-N 1 0 385.218 1.506 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415706924 531517445 /nfs/dbraw/zinc/51/74/45/531517445.db2.gz VMEBIUZOVPZHRS-ZDUSSCGKSA-N 1 0 398.261 1.869 20 5 GDBDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415651968 531508195 /nfs/dbraw/zinc/50/81/95/531508195.db2.gz CZIZLBMHYVKAPS-WPRPVWTQSA-N 1 0 385.218 1.553 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000281211413 531593847 /nfs/dbraw/zinc/59/38/47/531593847.db2.gz SLPFATQSYQYCIC-LLVKDONJSA-N 1 0 399.245 1.815 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000367071776 531805951 /nfs/dbraw/zinc/80/59/51/531805951.db2.gz COVAQVHYLYFZIX-IUCAKERBSA-N 1 0 396.238 1.678 20 5 GDBDRO C[C@@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453582722 531816888 /nfs/dbraw/zinc/81/68/88/531816888.db2.gz BSILLCDHVIKWLH-ZDUSSCGKSA-N 1 0 389.193 1.958 20 5 GDBDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000270011124 531820542 /nfs/dbraw/zinc/82/05/42/531820542.db2.gz YCDYFKRMIMPXEU-UHFFFAOYSA-N 1 0 387.234 1.936 20 5 GDBDRO NS(=O)(=O)CC1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000283157077 531834372 /nfs/dbraw/zinc/83/43/72/531834372.db2.gz OTZJCMGLHSDXDE-UHFFFAOYSA-N 1 0 392.275 1.858 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC[NH+](C)C ZINC000283613505 531878514 /nfs/dbraw/zinc/87/85/14/531878514.db2.gz NQFIVFDANLLIHB-UHFFFAOYSA-N 1 0 377.182 1.799 20 5 GDBDRO O=C(NCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1I ZINC000566099527 531880124 /nfs/dbraw/zinc/88/01/24/531880124.db2.gz VJHDWDZBWTYTSJ-UHFFFAOYSA-N 1 0 389.193 1.929 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000270565064 531894426 /nfs/dbraw/zinc/89/44/26/531894426.db2.gz LQOCPOCOENNUIW-YPMHNXCESA-N 1 0 375.472 1.270 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000570091379 531934279 /nfs/dbraw/zinc/93/42/79/531934279.db2.gz IWCCFASTGYYADP-DTWKUNHWSA-N 1 0 376.385 1.360 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000284546184 531967448 /nfs/dbraw/zinc/96/74/48/531967448.db2.gz PHFDRGGRYXHMCL-UHFFFAOYSA-N 1 0 385.262 1.643 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000369825785 531973171 /nfs/dbraw/zinc/97/31/71/531973171.db2.gz KVMJJOOOUQURMN-CQSZACIVSA-N 1 0 399.249 1.448 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(C(F)(F)F)c1 ZINC000370104181 531981843 /nfs/dbraw/zinc/98/18/43/531981843.db2.gz SNURANNDFHHAIA-JOYOIKCWSA-N 1 0 379.360 1.986 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599101531 532004648 /nfs/dbraw/zinc/00/46/48/532004648.db2.gz LJGKMSCWXJSHKK-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420447617 532014798 /nfs/dbraw/zinc/01/47/98/532014798.db2.gz CWHSALNBPUUVGF-BDAKNGLRSA-N 1 0 378.248 1.763 20 5 GDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000575921358 532017614 /nfs/dbraw/zinc/01/76/14/532017614.db2.gz UKODNYKQSKHJHX-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301539042 532036906 /nfs/dbraw/zinc/03/69/06/532036906.db2.gz NLSGVEZXVXXQSV-UHFFFAOYSA-N 1 0 398.261 1.497 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000579702802 532063884 /nfs/dbraw/zinc/06/38/84/532063884.db2.gz IHEJGMBPQJDUJC-NSHDSACASA-N 1 0 380.754 1.814 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000427937731 532194795 /nfs/dbraw/zinc/19/47/95/532194795.db2.gz KFUHIRGGUNUBPT-BXKDBHETSA-N 1 0 390.259 1.730 20 5 GDBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000288254968 532276607 /nfs/dbraw/zinc/27/66/07/532276607.db2.gz BYIILLVURQRIHM-UHFFFAOYSA-N 1 0 392.909 1.752 20 5 GDBDRO COC[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000289484458 532325987 /nfs/dbraw/zinc/32/59/87/532325987.db2.gz KHCOBBSZJVRBIJ-LBPRGKRZSA-N 1 0 380.182 1.950 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000738366072 599295310 /nfs/dbraw/zinc/29/53/10/599295310.db2.gz BFTNREPJVXWOJK-CYBMUJFWSA-N 1 0 380.412 1.998 20 5 GDBDRO C[C@@H]1C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820759157 607112640 /nfs/dbraw/zinc/11/26/40/607112640.db2.gz HYRLKDDJNKWHMZ-TXEJJXNPSA-N 1 0 376.421 1.471 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H]1CC ZINC000825599407 607841012 /nfs/dbraw/zinc/84/10/12/607841012.db2.gz LTEGZYXDOVNABA-CYBMUJFWSA-N 1 0 375.433 1.712 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H]1CC ZINC000825598811 607841264 /nfs/dbraw/zinc/84/12/64/607841264.db2.gz CHQUYGYINHTAFN-CYBMUJFWSA-N 1 0 375.433 1.712 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@@H]4CCOC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000826499290 607849194 /nfs/dbraw/zinc/84/91/94/607849194.db2.gz CVCKXCSSOKEILQ-CYBMUJFWSA-N 1 0 396.411 1.234 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000826497792 609388169 /nfs/dbraw/zinc/38/81/69/609388169.db2.gz VADGBHPQRBBDIM-CQSZACIVSA-N 1 0 396.411 1.349 20 5 GDBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000551408793 650606387 /nfs/dbraw/zinc/60/63/87/650606387.db2.gz IBPDZEKKKAOCPT-VIFPVBQESA-N 1 0 387.234 1.610 20 5 GDBDRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000551495129 650607728 /nfs/dbraw/zinc/60/77/28/650607728.db2.gz DNODMHIGHUEFMW-SECBINFHSA-N 1 0 399.245 1.895 20 5 GDBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564390971 650756614 /nfs/dbraw/zinc/75/66/14/650756614.db2.gz SRBIMYZYCVQYSS-UHFFFAOYSA-N 1 0 377.182 1.943 20 5 GDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000567668000 650913923 /nfs/dbraw/zinc/91/39/23/650913923.db2.gz NPKPOFQSQBTKEO-SNVBAGLBSA-N 1 0 375.166 1.763 20 5 GDBDRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119856268 644663084 /nfs/dbraw/zinc/66/30/84/644663084.db2.gz CCENKUPKAIVXJQ-LBPRGKRZSA-N 1 0 376.504 1.208 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120466923 644671134 /nfs/dbraw/zinc/67/11/34/644671134.db2.gz ZVCNBLMEAVCVSC-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1Br ZINC000122908892 644691789 /nfs/dbraw/zinc/69/17/89/644691789.db2.gz YVCRCJRUCVFBFQ-UHFFFAOYSA-N 1 0 378.248 1.635 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193320256 645048569 /nfs/dbraw/zinc/04/85/69/645048569.db2.gz QHLCUDPATQTKEN-BONVTDFDSA-N 1 0 375.422 1.928 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193403733 645050264 /nfs/dbraw/zinc/05/02/64/645050264.db2.gz UMKJBHHGYJFFLM-KCJUWKMLSA-N 1 0 378.248 1.634 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262750137 645137269 /nfs/dbraw/zinc/13/72/69/645137269.db2.gz NCUXAUDCZWFDSG-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000440439170 646243311 /nfs/dbraw/zinc/24/33/11/646243311.db2.gz YWONVJHUZJSCQM-WPRPVWTQSA-N 1 0 378.248 1.715 20 5 GDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452388111 647322239 /nfs/dbraw/zinc/32/22/39/647322239.db2.gz IUKAUZDWXDRKBW-CYBMUJFWSA-N 1 0 386.246 1.934 20 5 GDBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000481333457 647874699 /nfs/dbraw/zinc/87/46/99/647874699.db2.gz BGLZSOJWQPIWPQ-ZDUSSCGKSA-N 1 0 379.891 1.964 20 5 GDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000571908765 651086825 /nfs/dbraw/zinc/08/68/25/651086825.db2.gz CULSXRKXQXYYJO-MRVPVSSYSA-N 1 0 377.182 1.927 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000591560833 652163523 /nfs/dbraw/zinc/16/35/23/652163523.db2.gz HBBSNMPVRDPVGA-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599892420 652517043 /nfs/dbraw/zinc/51/70/43/652517043.db2.gz WPXGMEDTLBWHFB-LBPRGKRZSA-N 1 0 397.229 1.697 20 5 GDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600067302 652525336 /nfs/dbraw/zinc/52/53/36/652525336.db2.gz RKHNAUXRRLECCZ-JTQLQIEISA-N 1 0 399.245 1.549 20 5 GDBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000748652481 654809196 /nfs/dbraw/zinc/80/91/96/654809196.db2.gz XXAOLGDSLIXOBP-CYBMUJFWSA-N 1 0 379.891 1.964 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000706033275 654833935 /nfs/dbraw/zinc/83/39/35/654833935.db2.gz SGGMIHQQFBGFLR-QPUJVOFHSA-N 1 0 389.193 1.927 20 5 GDBDRO O=c1c2c(ncn1Cc1cccc([N+](=O)[O-])c1Br)CC[NH2+]CC2 ZINC000830517912 654948128 /nfs/dbraw/zinc/94/81/28/654948128.db2.gz JWXBPSXNUCBUDR-UHFFFAOYSA-N 1 0 379.214 1.651 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000807433766 655083149 /nfs/dbraw/zinc/08/31/49/655083149.db2.gz NXBFNQXMAFJHLQ-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839465226 655247465 /nfs/dbraw/zinc/24/74/65/655247465.db2.gz KYSGRHMTNGDQSM-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000841160964 655311180 /nfs/dbraw/zinc/31/11/80/655311180.db2.gz KABJKAMOMQRNPW-NXEZZACHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841184243 655312772 /nfs/dbraw/zinc/31/27/72/655312772.db2.gz XYYIOTJVOYTLBR-UWVGGRQHSA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841184245 655312814 /nfs/dbraw/zinc/31/28/14/655312814.db2.gz XYYIOTJVOYTLBR-ZJUUUORDSA-N 1 0 399.245 1.882 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000841199921 655313528 /nfs/dbraw/zinc/31/35/28/655313528.db2.gz ICDIMGAMMNFYHC-UWVGGRQHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841216504 655314920 /nfs/dbraw/zinc/31/49/20/655314920.db2.gz HOQOLJPABVTVDC-KCJUWKMLSA-N 1 0 385.218 1.410 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842479680 655366627 /nfs/dbraw/zinc/36/66/27/655366627.db2.gz CZCDSIWWGWCQTF-BDAKNGLRSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000842483093 655367586 /nfs/dbraw/zinc/36/75/86/655367586.db2.gz GKTTUXLKRBZSLK-MRVPVSSYSA-N 1 0 388.190 1.618 20 5 GDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000842484051 655367672 /nfs/dbraw/zinc/36/76/72/655367672.db2.gz WRUJAJNOWIMNAJ-QMMMGPOBSA-N 1 0 388.190 1.618 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCO1 ZINC000842484556 655367957 /nfs/dbraw/zinc/36/79/57/655367957.db2.gz HXBAIPLYKNTDLM-JTQLQIEISA-N 1 0 394.247 1.096 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842791689 655377273 /nfs/dbraw/zinc/37/72/73/655377273.db2.gz YZFLDVGGRSCQGL-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000843098263 655388410 /nfs/dbraw/zinc/38/84/10/655388410.db2.gz NEIVLWIJWOWDRB-KGLIPLIRSA-N 1 0 386.451 1.114 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000867438352 656060913 /nfs/dbraw/zinc/06/09/13/656060913.db2.gz CIYJLUCZWCKVJZ-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343184 656151238 /nfs/dbraw/zinc/15/12/38/656151238.db2.gz GWKGNYKVVQLBNR-CHWSQXEVSA-N 1 0 398.257 1.567 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000923713720 656594479 /nfs/dbraw/zinc/59/44/79/656594479.db2.gz QLJLEPGEWNAYOP-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000881864360 656975225 /nfs/dbraw/zinc/97/52/25/656975225.db2.gz PHMBNNUFOAFMFF-AWEZNQCLSA-N 1 0 383.246 1.363 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC[C@H]2C1 ZINC001164856097 720863096 /nfs/dbraw/zinc/86/30/96/720863096.db2.gz OTWCHCHCCFBMNV-XJKSGUPXSA-N 1 0 375.429 1.645 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])ccn4)C3)O2)CC1 ZINC001164894568 721382317 /nfs/dbraw/zinc/38/23/17/721382317.db2.gz ZBSDDQJLPCHYSQ-HKUYNNGSSA-N 1 0 375.473 1.755 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884466 721406028 /nfs/dbraw/zinc/40/60/28/721406028.db2.gz DIUGVAAKFXWIJC-APWZRJJASA-N 1 0 390.488 1.459 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979733 722137552 /nfs/dbraw/zinc/13/75/52/722137552.db2.gz LWRDXQISPVPWHW-MAUKXSAKSA-N 1 0 384.440 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823635034 946457385 /nfs/dbraw/zinc/45/73/85/946457385.db2.gz PZMLNIYTJHXOAJ-KGLIPLIRSA-N 1 0 376.398 1.021 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC000183918762 530821759 /nfs/dbraw/zinc/82/17/59/530821759.db2.gz NJLQOSBYXLQXCN-KGLIPLIRSA-N 1 0 385.218 1.238 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000122556649 530973717 /nfs/dbraw/zinc/97/37/17/530973717.db2.gz VNXFPTMTVDOCAI-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000125057343 531002203 /nfs/dbraw/zinc/00/22/03/531002203.db2.gz ZJDVPGRCQHSFAC-LDYMZIIASA-N 1 0 383.348 1.350 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262177320 531111286 /nfs/dbraw/zinc/11/12/86/531111286.db2.gz BELLNXHEMXLYJZ-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262728530 531127358 /nfs/dbraw/zinc/12/73/58/531127358.db2.gz CCJYRQSRSIWMPC-MNOVXSKESA-N 1 0 390.259 1.872 20 5 GDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000155596589 531201518 /nfs/dbraw/zinc/20/15/18/531201518.db2.gz CNNVITCTKHOJGR-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290524472 531239332 /nfs/dbraw/zinc/23/93/32/531239332.db2.gz QRDIBCXNUKRGLX-UHFFFAOYSA-N 1 0 399.245 1.898 20 5 GDBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000290821587 531257945 /nfs/dbraw/zinc/25/79/45/531257945.db2.gz ORSICGVOTUTUFQ-SECBINFHSA-N 1 0 399.245 1.895 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440834124 531347607 /nfs/dbraw/zinc/34/76/07/531347607.db2.gz QDTNYWZBRRYSMZ-PELKAZGASA-N 1 0 378.248 1.634 20 5 GDBDRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000482534923 531400285 /nfs/dbraw/zinc/40/02/85/531400285.db2.gz VDFIZQQFLVXPTQ-UHFFFAOYSA-N 1 0 386.455 1.442 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000267903119 531460198 /nfs/dbraw/zinc/46/01/98/531460198.db2.gz WUBZJYIKJVKKMD-CYBMUJFWSA-N 1 0 375.447 1.239 20 5 GDBDRO C[NH+]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267939884 531462395 /nfs/dbraw/zinc/46/23/95/531462395.db2.gz RMMUPUGXGRQEAZ-UHFFFAOYSA-N 1 0 389.225 1.474 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415690057 531513685 /nfs/dbraw/zinc/51/36/85/531513685.db2.gz XGWHNTQDXMMWNI-KWQFWETISA-N 1 0 399.245 1.861 20 5 GDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415561148 531495561 /nfs/dbraw/zinc/49/55/61/531495561.db2.gz MALHCEATKKCJPX-IUCAKERBSA-N 1 0 385.218 1.505 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415623494 531504715 /nfs/dbraw/zinc/50/47/15/531504715.db2.gz ZVENHDKMKMSCTI-UFBFGSQYSA-N 1 0 385.218 1.410 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415646302 531507127 /nfs/dbraw/zinc/50/71/27/531507127.db2.gz MQTSLNDWGDDZJF-UWVGGRQHSA-N 1 0 385.218 1.682 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000491222850 531550464 /nfs/dbraw/zinc/55/04/64/531550464.db2.gz KBIVOYYTUKXQGA-LLVKDONJSA-N 1 0 375.422 1.895 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416507472 531654661 /nfs/dbraw/zinc/65/46/61/531654661.db2.gz NWAOJWXXBKXKIQ-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000416510245 531655961 /nfs/dbraw/zinc/65/59/61/531655961.db2.gz UBJQRTAKZOLPAB-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452356468 531772618 /nfs/dbraw/zinc/77/26/18/531772618.db2.gz CSXDXAHNEBAZRR-GFCCVEGCSA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000592294591 531775744 /nfs/dbraw/zinc/77/57/44/531775744.db2.gz JIJAKFGGKCNZJD-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592388111 531784121 /nfs/dbraw/zinc/78/41/21/531784121.db2.gz YWMIPLTUDSRTJB-UWVGGRQHSA-N 1 0 385.339 1.934 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000593235915 531823514 /nfs/dbraw/zinc/82/35/14/531823514.db2.gz ZKXIDKXVUQQKIC-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000563287069 531825518 /nfs/dbraw/zinc/82/55/18/531825518.db2.gz DGBCEGKMCGGLCC-UHFFFAOYSA-N 1 0 399.245 1.883 20 5 GDBDRO C[NH+](C)[C@@H](CNc1c(I)cncc1[N+](=O)[O-])C1CC1 ZINC000418850606 531854226 /nfs/dbraw/zinc/85/42/26/531854226.db2.gz DCPRCQSEBNGZLF-JTQLQIEISA-N 1 0 376.198 1.768 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367834597 531869086 /nfs/dbraw/zinc/86/90/86/531869086.db2.gz VWMXXOPKXRRLRM-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000367798763 531864466 /nfs/dbraw/zinc/86/44/66/531864466.db2.gz RUHDRODSLCRZRZ-CABZTGNLSA-N 1 0 390.259 1.730 20 5 GDBDRO C[NH+](C)CCn1ccc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000599228217 532015747 /nfs/dbraw/zinc/01/57/47/532015747.db2.gz SZZIBAFXBDLXIB-UHFFFAOYSA-N 1 0 382.218 2.368 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000420468027 532020527 /nfs/dbraw/zinc/02/05/27/532020527.db2.gz DZZNRHUMGLAWHG-SNVBAGLBSA-N 1 0 394.247 1.096 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000289495472 532325774 /nfs/dbraw/zinc/32/57/74/532325774.db2.gz LJALJURYTCCLPT-LBPRGKRZSA-N 1 0 378.166 1.440 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289105068 532315758 /nfs/dbraw/zinc/31/57/58/532315758.db2.gz CLIMBBKYFRNNDS-GFCCVEGCSA-N 1 0 383.246 1.477 20 5 GDBDRO CNC(=O)CC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290046176 532336068 /nfs/dbraw/zinc/33/60/68/532336068.db2.gz RIQMNACPLQPZSW-UHFFFAOYSA-N 1 0 377.182 1.767 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370788 598628723 /nfs/dbraw/zinc/62/87/23/598628723.db2.gz QJSDIGAVGFJZOT-SFHVURJKSA-N 1 0 395.423 1.631 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(NCCCC[NH+]3CCOCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645206 599481939 /nfs/dbraw/zinc/48/19/39/599481939.db2.gz PNBZATHXWXPVJD-UHFFFAOYSA-N 1 0 398.427 1.847 20 5 GDBDRO C[C@H](O)C[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000820480356 599530966 /nfs/dbraw/zinc/53/09/66/599530966.db2.gz KFQDFYCVVDCJFM-RYUDHWBXSA-N 1 0 398.427 1.214 20 5 GDBDRO CC[C@H](O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820932569 599561404 /nfs/dbraw/zinc/56/14/04/599561404.db2.gz OTRCYLIAGGZTNW-ZDUSSCGKSA-N 1 0 398.427 1.216 20 5 GDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169895 599567431 /nfs/dbraw/zinc/56/74/31/599567431.db2.gz HVYJVNKRJDKSFZ-MLGOLLRUSA-N 1 0 386.416 1.415 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823619812 606715269 /nfs/dbraw/zinc/71/52/69/606715269.db2.gz BHUXUARSUFXHNF-UHFFFAOYSA-N 1 0 388.432 1.251 20 5 GDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823639717 607129348 /nfs/dbraw/zinc/12/93/48/607129348.db2.gz FYXNXJHKTCLTNA-SJORKVTESA-N 1 0 387.444 1.955 20 5 GDBDRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824995284 608149789 /nfs/dbraw/zinc/14/97/89/608149789.db2.gz YDVMJLBQRXNKPG-UKRRQHHQSA-N 1 0 386.460 1.237 20 5 GDBDRO CS[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000536171113 650266358 /nfs/dbraw/zinc/26/63/58/650266358.db2.gz JNWBXFONYVCAPF-HUUCEWRRSA-N 1 0 388.515 1.327 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000564083189 650747627 /nfs/dbraw/zinc/74/76/27/650747627.db2.gz CDYQRHLDTIFOOA-JTQLQIEISA-N 1 0 389.302 1.889 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193396397 645050409 /nfs/dbraw/zinc/05/04/09/645050409.db2.gz URCOJGNZZPAZQJ-PSASIEDQSA-N 1 0 378.248 1.634 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000331898053 645539525 /nfs/dbraw/zinc/53/95/25/645539525.db2.gz GKEXEKXSZIWQTO-JKSUJKDBSA-N 1 0 385.511 1.936 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420721597 645955355 /nfs/dbraw/zinc/95/53/55/645955355.db2.gz DBDFFXRODZUQRX-UHFFFAOYSA-N 1 0 375.422 1.894 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000440446891 646244060 /nfs/dbraw/zinc/24/40/60/646244060.db2.gz VDLKOYIBQIVNAB-PELKAZGASA-N 1 0 378.248 1.715 20 5 GDBDRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000443100860 647181405 /nfs/dbraw/zinc/18/14/05/647181405.db2.gz JXOLTRCLKBJEOC-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000445550579 647269326 /nfs/dbraw/zinc/26/93/26/647269326.db2.gz RCDLOYYNCRNXMY-ZJUUUORDSA-N 1 0 378.248 1.906 20 5 GDBDRO CO[C@](C)(CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594509478 652309740 /nfs/dbraw/zinc/30/97/40/652309740.db2.gz ITJBAHKKMBSILM-LBPRGKRZSA-N 1 0 380.182 1.686 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000595238074 652399882 /nfs/dbraw/zinc/39/98/82/652399882.db2.gz NTQADHRPAIYBNF-UHFFFAOYSA-N 1 0 399.245 1.992 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)c1 ZINC000595384035 652415376 /nfs/dbraw/zinc/41/53/76/652415376.db2.gz HWZBEQXPNVYYCH-CYBMUJFWSA-N 1 0 389.861 1.468 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000599019734 652477868 /nfs/dbraw/zinc/47/78/68/652477868.db2.gz VNYMSZGJKDBRPF-ZDUSSCGKSA-N 1 0 391.209 1.356 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599108196 652478589 /nfs/dbraw/zinc/47/85/89/652478589.db2.gz RZAHXRHVHKMYHG-WDEREUQCSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977743 652520741 /nfs/dbraw/zinc/52/07/41/652520741.db2.gz KSJYXOSRSBLLJX-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601376470 652572600 /nfs/dbraw/zinc/57/26/00/652572600.db2.gz HNDNVPILDCQJAW-JHJVBQTASA-N 1 0 389.499 1.837 20 5 GDBDRO C[NH+](C)CCN1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602698421 652645830 /nfs/dbraw/zinc/64/58/30/652645830.db2.gz IGFHASXQKRONSY-UHFFFAOYSA-N 1 0 391.291 1.625 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)s1 ZINC000609199115 652838209 /nfs/dbraw/zinc/83/82/09/652838209.db2.gz ZTHPHLNFQKEGFK-UHFFFAOYSA-N 1 0 375.472 1.580 20 5 GDBDRO C[NH+]1CCN(CCC(C)(C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000770299724 654508699 /nfs/dbraw/zinc/50/86/99/654508699.db2.gz PTYNXYIFDSUCPC-UHFFFAOYSA-N 1 0 376.504 1.351 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000777815049 654724225 /nfs/dbraw/zinc/72/42/25/654724225.db2.gz WOKIQCPRFBVIHS-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000706033272 654833939 /nfs/dbraw/zinc/83/39/39/654833939.db2.gz SGGMIHQQFBGFLR-PELKAZGASA-N 1 0 389.193 1.927 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+](C)C ZINC000813728244 655243666 /nfs/dbraw/zinc/24/36/66/655243666.db2.gz AKUAVNYMEWXPPT-VIFPVBQESA-N 1 0 380.264 1.833 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000813730654 655243670 /nfs/dbraw/zinc/24/36/70/655243670.db2.gz TUIJPPVRYWMRGX-SECBINFHSA-N 1 0 380.264 1.833 20 5 GDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CC[NH+](C)CC1 ZINC000798170944 655255663 /nfs/dbraw/zinc/25/56/63/655255663.db2.gz LHKNBSIIHUVUSN-SNVBAGLBSA-N 1 0 386.250 1.118 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000798173942 655255957 /nfs/dbraw/zinc/25/59/57/655255957.db2.gz KVXYVIFSKBMAGX-NSHDSACASA-N 1 0 399.245 1.547 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841146658 655310384 /nfs/dbraw/zinc/31/03/84/655310384.db2.gz SIKUJOBEUODJBZ-JTQLQIEISA-N 1 0 399.245 1.754 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841150272 655310627 /nfs/dbraw/zinc/31/06/27/655310627.db2.gz UMOPFOYBOSKKBO-VIFPVBQESA-N 1 0 385.218 1.472 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000841161187 655311385 /nfs/dbraw/zinc/31/13/85/655311385.db2.gz XZYOVWFPBXCDDC-JTQLQIEISA-N 1 0 399.245 1.863 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000841215161 655314816 /nfs/dbraw/zinc/31/48/16/655314816.db2.gz KDDWFSYYFQGKFD-UHFFFAOYSA-N 1 0 397.229 1.640 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841248883 655317213 /nfs/dbraw/zinc/31/72/13/655317213.db2.gz HXWHRXYNZGALDR-CABZTGNLSA-N 1 0 397.229 1.506 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000841279118 655318682 /nfs/dbraw/zinc/31/86/82/655318682.db2.gz ZCORAPUYHKFHBU-RFAUZJTJSA-N 1 0 399.245 1.739 20 5 GDBDRO [NH3+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000842687218 655371255 /nfs/dbraw/zinc/37/12/55/655371255.db2.gz VGXQJNCOIGCKFB-UHFFFAOYSA-N 1 0 378.248 1.717 20 5 GDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842736953 655374489 /nfs/dbraw/zinc/37/44/89/655374489.db2.gz IWSMEHSBHPCHCX-UHFFFAOYSA-N 1 0 380.264 1.963 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842869482 655381652 /nfs/dbraw/zinc/38/16/52/655381652.db2.gz LMNFTQKHMCMEOX-LBPRGKRZSA-N 1 0 378.248 1.715 20 5 GDBDRO COCC(C)(C)[NH+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000819893165 655398292 /nfs/dbraw/zinc/39/82/92/655398292.db2.gz GCJCXVBSKFYCTK-UHFFFAOYSA-N 1 0 376.255 1.554 20 5 GDBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000825188344 655485439 /nfs/dbraw/zinc/48/54/39/655485439.db2.gz JKCURXVLHQACEU-SECBINFHSA-N 1 0 376.182 1.605 20 5 GDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000850843065 655569923 /nfs/dbraw/zinc/56/99/23/655569923.db2.gz PVAZSDWOCRQWMV-UHFFFAOYSA-N 1 0 385.218 1.684 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000858615155 655750456 /nfs/dbraw/zinc/75/04/56/655750456.db2.gz FIDCDAZJZWYZEY-LBPRGKRZSA-N 1 0 392.275 1.976 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOCC1 ZINC000858622015 655750858 /nfs/dbraw/zinc/75/08/58/655750858.db2.gz JDJDEQLPTVIKKQ-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO COCCC[N@H+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866074906 655934168 /nfs/dbraw/zinc/93/41/68/655934168.db2.gz IXHJWJGISLOJOU-UHFFFAOYSA-N 1 0 388.262 1.984 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000866827934 655967693 /nfs/dbraw/zinc/96/76/93/655967693.db2.gz TZOYJVKVDBBIPX-VXGBXAGGSA-N 1 0 390.259 1.872 20 5 GDBDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905428462 659452541 /nfs/dbraw/zinc/45/25/41/659452541.db2.gz UBIKTLRSCYORPF-MFKMUULPSA-N 1 0 377.235 1.859 20 5 GDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1Cl ZINC001164420787 718913490 /nfs/dbraw/zinc/91/34/90/718913490.db2.gz NGMLMPIVSGBGEK-CQSZACIVSA-N 1 0 392.790 1.773 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164620404 719014495 /nfs/dbraw/zinc/01/44/95/719014495.db2.gz ZAEKVUNARWNUQC-JFUSQASVSA-N 1 0 390.774 1.918 20 5 GDBDRO CCOc1nc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC001164685453 719731841 /nfs/dbraw/zinc/73/18/41/719731841.db2.gz LDUIKUDWKJINCI-UHFFFAOYSA-N 1 0 377.445 1.569 20 5 GDBDRO COc1cc2ncnc(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)c2cc1[N+](=O)[O-] ZINC001164727437 720515899 /nfs/dbraw/zinc/51/58/99/720515899.db2.gz GHBKMEDLPLFLCI-ZDUSSCGKSA-N 1 0 397.439 1.941 20 5 GDBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738806 720817236 /nfs/dbraw/zinc/81/72/36/720817236.db2.gz GUQCNOSWOMUSLK-BRWVUGGUSA-N 1 0 383.456 1.961 20 5 GDBDRO CCOc1nc(N2CC[C@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164853563 720866801 /nfs/dbraw/zinc/86/68/01/720866801.db2.gz HJGUKPYWEUAFAM-GOEBONIOSA-N 1 0 380.445 1.562 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871038 721046336 /nfs/dbraw/zinc/04/63/36/721046336.db2.gz XZSKRQCIWUCTTP-ZIAGYGMSSA-N 1 0 390.831 1.913 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(Cl)ncc2[N+](=O)[O-])CC3)CC1 ZINC001164794537 721508777 /nfs/dbraw/zinc/50/87/77/721508777.db2.gz ALTSZTRRSPJSAM-UHFFFAOYSA-N 1 0 392.851 1.002 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973220 722129172 /nfs/dbraw/zinc/12/91/72/722129172.db2.gz GXQPYLBWCDHJEL-HKUYNNGSSA-N 1 0 399.451 1.659 20 5 GDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823651202 946462554 /nfs/dbraw/zinc/46/25/54/946462554.db2.gz IEUHKNWGBDMTNP-HUUCEWRRSA-N 1 0 388.432 1.350 20 5 GDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160536806 530553281 /nfs/dbraw/zinc/55/32/81/530553281.db2.gz VZGJOFVPNZIUBL-CQSZACIVSA-N 1 0 386.246 1.934 20 5 GDBDRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000161668813 530563191 /nfs/dbraw/zinc/56/31/91/530563191.db2.gz NWAXWKRXEJHKFQ-ZDUSSCGKSA-N 1 0 391.877 1.619 20 5 GDBDRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185337580 530841190 /nfs/dbraw/zinc/84/11/90/530841190.db2.gz RVQIKRHSGUQWBF-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189120237 530908546 /nfs/dbraw/zinc/90/85/46/530908546.db2.gz DAZWECGGIUSHBK-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000188217468 530889687 /nfs/dbraw/zinc/88/96/87/530889687.db2.gz FVKKTFVCMJNIMT-NSHDSACASA-N 1 0 375.422 1.895 20 5 GDBDRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190372003 530929090 /nfs/dbraw/zinc/92/90/90/530929090.db2.gz YIMUJLFSKHUSGM-CYBMUJFWSA-N 1 0 377.488 1.529 20 5 GDBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000124107895 530991874 /nfs/dbraw/zinc/99/18/74/530991874.db2.gz LFRKTZJRDCRZSP-MRVPVSSYSA-N 1 0 380.264 1.800 20 5 GDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000238047104 531054039 /nfs/dbraw/zinc/05/40/39/531054039.db2.gz NISNOWVXCKMSGR-SECBINFHSA-N 1 0 375.166 1.763 20 5 GDBDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151543385 531139251 /nfs/dbraw/zinc/13/92/51/531139251.db2.gz HLBUGYXAMRRHOU-UHFFFAOYSA-N 1 0 399.289 1.654 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000290641203 531246197 /nfs/dbraw/zinc/24/61/97/531246197.db2.gz DJURXOCUNRPLCZ-SNVBAGLBSA-N 1 0 395.840 1.512 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000440341564 531333906 /nfs/dbraw/zinc/33/39/06/531333906.db2.gz PPMMWYIQNPUMKG-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440421147 531339147 /nfs/dbraw/zinc/33/91/47/531339147.db2.gz OQYDTUCIXZBDKA-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292307787 531348558 /nfs/dbraw/zinc/34/85/58/531348558.db2.gz VEBYIMRYCWKRBR-LLVKDONJSA-N 1 0 390.849 1.152 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440807666 531344484 /nfs/dbraw/zinc/34/44/84/531344484.db2.gz WBAPZNFGKKEJIV-PRHODGIISA-N 1 0 378.248 1.776 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000278436149 531360010 /nfs/dbraw/zinc/36/00/10/531360010.db2.gz SXCPXQNPBYLHFT-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000444172818 531395828 /nfs/dbraw/zinc/39/58/28/531395828.db2.gz BDPPJWLMCIDFCY-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000447246245 531422223 /nfs/dbraw/zinc/42/22/23/531422223.db2.gz HAYXIMJNZQCDBQ-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449742838 531475314 /nfs/dbraw/zinc/47/53/14/531475314.db2.gz RNTQPPRWGWIUTO-PELKAZGASA-N 1 0 387.177 1.633 20 5 GDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2scnc2C2CC2)c1 ZINC000486939439 531465023 /nfs/dbraw/zinc/46/50/23/531465023.db2.gz NVLPNBKVFJHAQW-UHFFFAOYSA-N 1 0 382.467 1.997 20 5 GDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415356777 531478350 /nfs/dbraw/zinc/47/83/50/531478350.db2.gz HTFAEANZASIMEH-SNVBAGLBSA-N 1 0 385.218 1.506 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415690055 531513829 /nfs/dbraw/zinc/51/38/29/531513829.db2.gz XGWHNTQDXMMWNI-GZMMTYOYSA-N 1 0 399.245 1.861 20 5 GDBDRO O=C1CC[C@H]([NH+]2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891594 531518414 /nfs/dbraw/zinc/51/84/14/531518414.db2.gz KOMBMDXJJNWXIW-LBPRGKRZSA-N 1 0 398.261 1.543 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415873886 531548572 /nfs/dbraw/zinc/54/85/72/531548572.db2.gz VQDIWVGAFKYLKS-UWVGGRQHSA-N 1 0 397.229 1.364 20 5 GDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000269123244 531612022 /nfs/dbraw/zinc/61/20/22/531612022.db2.gz KOXQUARHGMOZLG-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000366305522 531735876 /nfs/dbraw/zinc/73/58/76/531735876.db2.gz KEPFSWFUNMWDHK-JOYOIKCWSA-N 1 0 379.360 1.986 20 5 GDBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000563642982 531858727 /nfs/dbraw/zinc/85/87/27/531858727.db2.gz RIVYPPZOWRBCCX-ZDUSSCGKSA-N 1 0 399.245 1.752 20 5 GDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000368639281 531927079 /nfs/dbraw/zinc/92/70/79/531927079.db2.gz TWTGWJNLQWVYAJ-UWVGGRQHSA-N 1 0 376.366 1.098 20 5 GDBDRO COc1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000271027372 531956317 /nfs/dbraw/zinc/95/63/17/531956317.db2.gz GSAHYKXGFRECBH-TZMCWYRMSA-N 1 0 375.472 1.270 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598725412 531992858 /nfs/dbraw/zinc/99/28/58/531992858.db2.gz OTDLHMBPLMMMIP-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO C[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000599213451 532013103 /nfs/dbraw/zinc/01/31/03/532013103.db2.gz NCAYPJASTDHFGM-SNVBAGLBSA-N 1 0 385.471 1.115 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420447620 532013892 /nfs/dbraw/zinc/01/38/92/532013892.db2.gz CWHSALNBPUUVGF-RKDXNWHRSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420481095 532022207 /nfs/dbraw/zinc/02/22/07/532022207.db2.gz QENMCDHYZAURTL-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601338258 532062195 /nfs/dbraw/zinc/06/21/95/532062195.db2.gz QAWNRMWUFCREFZ-UHFFFAOYSA-N 1 0 379.504 1.944 20 5 GDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602699523 532081574 /nfs/dbraw/zinc/08/15/74/532081574.db2.gz WXCAOJJASDPZOC-VIFPVBQESA-N 1 0 391.291 1.971 20 5 GDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000273069847 532132363 /nfs/dbraw/zinc/13/23/63/532132363.db2.gz VDUHWUSZUAFFRQ-MRVPVSSYSA-N 1 0 375.166 1.539 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274796442 532233238 /nfs/dbraw/zinc/23/32/38/532233238.db2.gz MKKGAOYAFRRELM-KGLIPLIRSA-N 1 0 389.474 1.934 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274856725 532238116 /nfs/dbraw/zinc/23/81/16/532238116.db2.gz VAJPHUBVMJKJEO-HOTGVXAUSA-N 1 0 385.511 1.936 20 5 GDBDRO CS[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275470278 532296715 /nfs/dbraw/zinc/29/67/15/532296715.db2.gz NXMYXFOIXJCLQW-KBPBESRZSA-N 1 0 386.499 1.258 20 5 GDBDRO CS(=O)(=O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289464025 532325191 /nfs/dbraw/zinc/32/51/91/532325191.db2.gz IJKZAUWRGJWCRS-UHFFFAOYSA-N 1 0 398.222 1.724 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1CC ZINC000736623662 598672472 /nfs/dbraw/zinc/67/24/72/598672472.db2.gz KNNOCKARZXJQND-AWEZNQCLSA-N 1 0 375.433 1.712 20 5 GDBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169893 599567126 /nfs/dbraw/zinc/56/71/26/599567126.db2.gz HVYJVNKRJDKSFZ-BLLLJJGKSA-N 1 0 386.416 1.415 20 5 GDBDRO CCc1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825704065 608020286 /nfs/dbraw/zinc/02/02/86/608020286.db2.gz BXIOIHLXLJASDD-UHFFFAOYSA-N 1 0 399.415 1.465 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1-c1nn[nH]n1 ZINC000826082773 608021439 /nfs/dbraw/zinc/02/14/39/608021439.db2.gz ANPGXPUUBFVQSH-UHFFFAOYSA-N 1 0 389.351 1.041 20 5 GDBDRO O=[N+]([O-])c1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)c(-c2nn[nH]n2)c1 ZINC000826500512 608243530 /nfs/dbraw/zinc/24/35/30/608243530.db2.gz AMBOIAWNALVAMH-UHFFFAOYSA-N 1 0 381.400 1.893 20 5 GDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568596 608486971 /nfs/dbraw/zinc/48/69/71/608486971.db2.gz AXOKRLXYIBCGJY-MLGOLLRUSA-N 1 0 384.396 1.865 20 5 GDBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000552528391 650628799 /nfs/dbraw/zinc/62/87/99/650628799.db2.gz RSCOYCFLCWGQEH-UHFFFAOYSA-N 1 0 377.438 1.713 20 5 GDBDRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000564338803 650755373 /nfs/dbraw/zinc/75/53/73/650755373.db2.gz VVEWJMIYFQAOBA-LBPRGKRZSA-N 1 0 389.193 1.910 20 5 GDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000564835967 650768943 /nfs/dbraw/zinc/76/89/43/650768943.db2.gz RZKCFGLSCKIRGW-JTQLQIEISA-N 1 0 375.166 1.633 20 5 GDBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000054132223 644454729 /nfs/dbraw/zinc/45/47/29/644454729.db2.gz GRZVMWBABQHWIN-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000567867318 650925569 /nfs/dbraw/zinc/92/55/69/650925569.db2.gz MUESBDMIMFKNLN-YUMQZZPRSA-N 1 0 387.234 1.846 20 5 GDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123471701 644697041 /nfs/dbraw/zinc/69/70/41/644697041.db2.gz YHYRJGUXYVZROV-JTQLQIEISA-N 1 0 378.248 1.859 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000125040350 644712040 /nfs/dbraw/zinc/71/20/40/644712040.db2.gz NFMIAZVTNUHYKU-UFBFGSQYSA-N 1 0 394.247 1.094 20 5 GDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000157716618 644830864 /nfs/dbraw/zinc/83/08/64/644830864.db2.gz OKIKHQHXVGWISK-QMMMGPOBSA-N 1 0 375.166 1.763 20 5 GDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000193332764 645049189 /nfs/dbraw/zinc/04/91/89/645049189.db2.gz NITYZFACAHNLOG-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000238021841 645089501 /nfs/dbraw/zinc/08/95/01/645089501.db2.gz XFULSZVIMOPMJV-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415421871 645894047 /nfs/dbraw/zinc/89/40/47/645894047.db2.gz YPZMYLDPOORQJZ-MRVPVSSYSA-N 1 0 385.218 1.425 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467084893 647631452 /nfs/dbraw/zinc/63/14/52/647631452.db2.gz JUDBMCGHFZCVPJ-YRGRVCCFSA-N 1 0 389.499 1.837 20 5 GDBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141009 651469062 /nfs/dbraw/zinc/46/90/62/651469062.db2.gz NLEJGVZOVKADGF-RYUDHWBXSA-N 1 0 398.217 1.133 20 5 GDBDRO O=C1CCC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)N1 ZINC000589317502 652112055 /nfs/dbraw/zinc/11/20/55/652112055.db2.gz PFDCPCMGXKUKRF-LLVKDONJSA-N 1 0 389.193 1.958 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591302435 652160200 /nfs/dbraw/zinc/16/02/00/652160200.db2.gz DDKDGMQOUBNQDE-LLVKDONJSA-N 1 0 399.245 1.863 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000592381255 652185412 /nfs/dbraw/zinc/18/54/12/652185412.db2.gz CNBUTOMPGXBPTO-ZANVPECISA-N 1 0 390.259 1.730 20 5 GDBDRO COc1c(S(=O)(=O)N(C)C2C[NH2+]C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000592389217 652187179 /nfs/dbraw/zinc/18/71/79/652187179.db2.gz QTQHROIXWKOWML-UHFFFAOYSA-N 1 0 394.247 1.267 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000594319489 652278323 /nfs/dbraw/zinc/27/83/23/652278323.db2.gz XKRJZPHKHMGQII-WVSHTKLVSA-N 1 0 399.245 1.752 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599110251 652478853 /nfs/dbraw/zinc/47/88/53/652478853.db2.gz NAIOIIMVEDJXLW-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000706033276 654833887 /nfs/dbraw/zinc/83/38/87/654833887.db2.gz SGGMIHQQFBGFLR-UFBFGSQYSA-N 1 0 389.193 1.927 20 5 GDBDRO CN(CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000834308038 655061958 /nfs/dbraw/zinc/06/19/58/655061958.db2.gz WMFFRGZMRLHSRZ-XHDPSFHLSA-N 1 0 397.273 1.956 20 5 GDBDRO C[NH+](C)CCCOC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791511997 655073027 /nfs/dbraw/zinc/07/30/27/655073027.db2.gz UKGBVFSXJZRZCQ-UHFFFAOYSA-N 1 0 393.849 1.412 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810371039 655157103 /nfs/dbraw/zinc/15/71/03/655157103.db2.gz ASYJMUJBSIYEHX-SNVBAGLBSA-N 1 0 399.245 1.754 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000815019425 655278860 /nfs/dbraw/zinc/27/88/60/655278860.db2.gz HKVTVELMSIOGJB-SNVBAGLBSA-N 1 0 394.856 1.302 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000841207184 655314018 /nfs/dbraw/zinc/31/40/18/655314018.db2.gz HXMWVTNLJSPJAN-UWVGGRQHSA-N 1 0 399.245 1.813 20 5 GDBDRO C[C@@]1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841210456 655314437 /nfs/dbraw/zinc/31/44/37/655314437.db2.gz DDRKHVWJPDNSFV-OAHLLOKOSA-N 1 0 399.245 1.802 20 5 GDBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841292655 655318728 /nfs/dbraw/zinc/31/87/28/655318728.db2.gz CFOYFOFEUQDQRJ-UHFFFAOYSA-N 1 0 385.218 1.554 20 5 GDBDRO CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000842481782 655367301 /nfs/dbraw/zinc/36/73/01/655367301.db2.gz QSOOSLNJBMDNMH-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000842485461 655368054 /nfs/dbraw/zinc/36/80/54/655368054.db2.gz UUMPQDSEWKDYEE-SECBINFHSA-N 1 0 394.247 1.096 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842789364 655377115 /nfs/dbraw/zinc/37/71/15/655377115.db2.gz UCJNNGKAUVKGNW-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842793016 655377537 /nfs/dbraw/zinc/37/75/37/655377537.db2.gz HAFWZEDDLTXUBD-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842832398 655380140 /nfs/dbraw/zinc/38/01/40/655380140.db2.gz BMQXBQRJMPHFLT-GZMMTYOYSA-N 1 0 378.248 1.634 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000844227431 655408776 /nfs/dbraw/zinc/40/87/76/655408776.db2.gz YTOHZVYCSLDWEE-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO C[C@H](CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000850597041 655560249 /nfs/dbraw/zinc/56/02/49/655560249.db2.gz ZXBWPNUPUPNDLC-SECBINFHSA-N 1 0 387.234 1.752 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CCO1 ZINC000853625942 655645856 /nfs/dbraw/zinc/64/58/56/655645856.db2.gz WDHAMPMMKMROMN-LLVKDONJSA-N 1 0 376.255 1.554 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858625306 655750988 /nfs/dbraw/zinc/75/09/88/655750988.db2.gz QRYJCPINIILEEP-WDEREUQCSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@]12C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877668195 656686990 /nfs/dbraw/zinc/68/69/90/656686990.db2.gz GDTVGTVDYRJFMC-GASCZTMLSA-N 1 0 382.214 1.842 20 5 GDBDRO CC[NH+]1CCN(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881863881 656975155 /nfs/dbraw/zinc/97/51/55/656975155.db2.gz HRSDFMBXYMUFQZ-UHFFFAOYSA-N 1 0 385.262 1.611 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000881927470 656994791 /nfs/dbraw/zinc/99/47/91/656994791.db2.gz CRFPZZQSHVIVID-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@]2(C)C1 ZINC000907563978 659784864 /nfs/dbraw/zinc/78/48/64/659784864.db2.gz LDHVISGEYAXYQZ-OTYXRUKQSA-N 1 0 377.825 1.960 20 5 GDBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000911940385 660021816 /nfs/dbraw/zinc/02/18/16/660021816.db2.gz NZQUTRNMENOERN-UHFFFAOYSA-N 1 0 386.246 1.886 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c(OC)n1)C2 ZINC001164807961 720068303 /nfs/dbraw/zinc/06/83/03/720068303.db2.gz GQNQFJZJBUPHCL-KSSFIOAISA-N 1 0 377.445 1.578 20 5 GDBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747107 720855506 /nfs/dbraw/zinc/85/55/06/720855506.db2.gz HYCWULGHJMGDNS-GVDBMIGSSA-N 1 0 398.471 1.664 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823652003 946461797 /nfs/dbraw/zinc/46/17/97/946461797.db2.gz VQHVHHLOTJSNLJ-UHFFFAOYSA-N 1 0 384.400 1.515 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000066576444 530764059 /nfs/dbraw/zinc/76/40/59/530764059.db2.gz UHQZOSWXOZTCGD-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000186844359 530864127 /nfs/dbraw/zinc/86/41/27/530864127.db2.gz CBRVVSSZMNJQTC-UFBFGSQYSA-N 1 0 389.193 1.927 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000189124431 530908337 /nfs/dbraw/zinc/90/83/37/530908337.db2.gz MPCSJJFEYOOXNC-UHFFFAOYSA-N 1 0 376.866 1.164 20 5 GDBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193306971 530983328 /nfs/dbraw/zinc/98/33/28/530983328.db2.gz VCMQXHZRTKQOPA-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000261949931 531103792 /nfs/dbraw/zinc/10/37/92/531103792.db2.gz FVTBEFBDIAAPDE-SECBINFHSA-N 1 0 378.248 1.730 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000262138485 531109921 /nfs/dbraw/zinc/10/99/21/531109921.db2.gz DTVSRSSAZWNBCR-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277341917 531274207 /nfs/dbraw/zinc/27/42/07/531274207.db2.gz SQUHMPVFLRFYJK-GFCCVEGCSA-N 1 0 399.245 1.427 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000277341922 531274289 /nfs/dbraw/zinc/27/42/89/531274289.db2.gz SQUHMPVFLRFYJK-LBPRGKRZSA-N 1 0 399.245 1.427 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447246321 531422137 /nfs/dbraw/zinc/42/21/37/531422137.db2.gz OQZNEXNRBIQQHZ-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415455700 531488158 /nfs/dbraw/zinc/48/81/58/531488158.db2.gz PSFKMRSYSBAQCG-NSHDSACASA-N 1 0 385.218 1.458 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415726691 531519925 /nfs/dbraw/zinc/51/99/25/531519925.db2.gz PWVTZBVOCPPMHE-WPRPVWTQSA-N 1 0 385.218 1.552 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415800913 531534410 /nfs/dbraw/zinc/53/44/10/531534410.db2.gz DYLADLJDXXJIBI-KOLCDFICSA-N 1 0 399.245 1.930 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCN(CCCO)C2)c(Cl)c1 ZINC000295331689 531561454 /nfs/dbraw/zinc/56/14/54/531561454.db2.gz QFMQOADXDKJIOW-NSHDSACASA-N 1 0 377.850 1.373 20 5 GDBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000269934611 531808761 /nfs/dbraw/zinc/80/87/61/531808761.db2.gz JIMBAWLTECXFCQ-GFCCVEGCSA-N 1 0 385.262 1.641 20 5 GDBDRO O=C(CN1CC[NH2+]C[C@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1Br ZINC000563150267 531811875 /nfs/dbraw/zinc/81/18/75/531811875.db2.gz JCDJGSXQNBPBQB-NSHDSACASA-N 1 0 393.188 1.835 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1Br ZINC000367775938 531860311 /nfs/dbraw/zinc/86/03/11/531860311.db2.gz CUWCBRDICVDUPK-YUMQZZPRSA-N 1 0 382.211 1.336 20 5 GDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000595412553 531880961 /nfs/dbraw/zinc/88/09/61/531880961.db2.gz NBBGWPBRRJLUDE-ZDUSSCGKSA-N 1 0 392.275 1.976 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573247730 531977974 /nfs/dbraw/zinc/97/79/74/531977974.db2.gz JGZIHYGYKXYTOC-VHSXEESVSA-N 1 0 379.360 1.844 20 5 GDBDRO CC[NH2+]CCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000579708537 532064130 /nfs/dbraw/zinc/06/41/30/532064130.db2.gz LKWCYLRQQSBXKY-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)ccc1Br ZINC000374184704 532113620 /nfs/dbraw/zinc/11/36/20/532113620.db2.gz AYQZGSNMJFYHRZ-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@H]1CN(C2CCOCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000376045960 532193777 /nfs/dbraw/zinc/19/37/77/532193777.db2.gz YFDVMAYBYBSUMK-NSHDSACASA-N 1 0 375.472 1.530 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274865965 532238900 /nfs/dbraw/zinc/23/89/00/532238900.db2.gz WPGMRINLUHMWOB-QWHCGFSZSA-N 1 0 389.474 1.934 20 5 GDBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)NCCF ZINC000289738871 532331433 /nfs/dbraw/zinc/33/14/33/532331433.db2.gz GSESHUZXCNPUFO-QMMMGPOBSA-N 1 0 395.172 1.763 20 5 GDBDRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289905434 532333666 /nfs/dbraw/zinc/33/36/66/532333666.db2.gz NRGJRHWKEJVCIV-VIFPVBQESA-N 1 0 387.181 1.969 20 5 GDBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000289989480 532335031 /nfs/dbraw/zinc/33/50/31/532335031.db2.gz VQOFSFBVNTYWTF-NSHDSACASA-N 1 0 375.422 1.847 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370786 598628835 /nfs/dbraw/zinc/62/88/35/598628835.db2.gz QJSDIGAVGFJZOT-GOSISDBHSA-N 1 0 395.423 1.631 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000823629578 607129611 /nfs/dbraw/zinc/12/96/11/607129611.db2.gz ALAQTJVRNAMLLI-RDJZCZTQSA-N 1 0 387.444 1.955 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1nn[nH]n1 ZINC000826077498 608022233 /nfs/dbraw/zinc/02/22/33/608022233.db2.gz KEQVQTOFXGHBSK-UHFFFAOYSA-N 1 0 385.388 1.211 20 5 GDBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000237860675 645088299 /nfs/dbraw/zinc/08/82/99/645088299.db2.gz KTKCHQZAFMTMES-UHFFFAOYSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H]1C ZINC000262767967 645137704 /nfs/dbraw/zinc/13/77/04/645137704.db2.gz LGUWAYXBZFWIDO-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000262784063 645139071 /nfs/dbraw/zinc/13/90/71/645139071.db2.gz PRECOSCJYIEPJB-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000262805075 645140087 /nfs/dbraw/zinc/14/00/87/645140087.db2.gz WMMLOMJYSOXCAB-PSASIEDQSA-N 1 0 378.248 1.634 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c(Br)c1 ZINC000581125376 651960295 /nfs/dbraw/zinc/96/02/95/651960295.db2.gz VALBYRIQLHMACI-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000582121131 651986492 /nfs/dbraw/zinc/98/64/92/651986492.db2.gz RDZSDGGILPTWMF-SECBINFHSA-N 1 0 389.193 1.990 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592376154 652184425 /nfs/dbraw/zinc/18/44/25/652184425.db2.gz ZFFZZNDGZVPSAX-KCJUWKMLSA-N 1 0 383.348 1.350 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592381383 652185431 /nfs/dbraw/zinc/18/54/31/652185431.db2.gz GNGOGBVFQVFMMH-ONGXEEELSA-N 1 0 379.360 1.986 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000592381566 652185940 /nfs/dbraw/zinc/18/59/40/652185940.db2.gz WAIZDWMOLBGGRM-CABZTGNLSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(CN1CC[C@@H]2OCC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000593728479 652244160 /nfs/dbraw/zinc/24/41/60/652244160.db2.gz LQPLNHGHJURWKN-KGLIPLIRSA-N 1 0 399.245 1.359 20 5 GDBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594821818 652373858 /nfs/dbraw/zinc/37/38/58/652373858.db2.gz OOHDIMDYCWENFB-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595404740 652417726 /nfs/dbraw/zinc/41/77/26/652417726.db2.gz MGBQHCACZNOYQW-LBPRGKRZSA-N 1 0 375.422 1.465 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCCOCCC[NH3+])cc1[N+](=O)[O-] ZINC000599110354 652478939 /nfs/dbraw/zinc/47/89/39/652478939.db2.gz RTUNIMFCPOYPRQ-UHFFFAOYSA-N 1 0 396.263 1.309 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599944909 652519480 /nfs/dbraw/zinc/51/94/80/652519480.db2.gz WBJWTMKFDWMTIO-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)C1=O ZINC000601177505 652564661 /nfs/dbraw/zinc/56/46/61/652564661.db2.gz VMLGLLWZTLVFJH-LBPRGKRZSA-N 1 0 398.261 1.859 20 5 GDBDRO CN1CC[C@H]([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)C1=O ZINC000601177358 652564737 /nfs/dbraw/zinc/56/47/37/652564737.db2.gz ULEFCJGALPKNAD-ZDUSSCGKSA-N 1 0 398.261 1.859 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000601453626 652583744 /nfs/dbraw/zinc/58/37/44/652583744.db2.gz VLDHAIOOBUWWLS-UHFFFAOYSA-N 1 0 375.472 1.450 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603240077 652687739 /nfs/dbraw/zinc/68/77/39/652687739.db2.gz QRRMFJMBSLOJFD-UHFFFAOYSA-N 1 0 395.261 1.445 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000745943204 654752069 /nfs/dbraw/zinc/75/20/69/654752069.db2.gz YGSOPLOQTAIKAL-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000795805496 655188455 /nfs/dbraw/zinc/18/84/55/655188455.db2.gz ODTPYGJEDRPVNH-UHFFFAOYSA-N 1 0 396.238 1.869 20 5 GDBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160898 655255256 /nfs/dbraw/zinc/25/52/56/655255256.db2.gz DZZAUXXJWRRGNU-UHFFFAOYSA-N 1 0 375.223 1.450 20 5 GDBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000841150444 655310517 /nfs/dbraw/zinc/31/05/17/655310517.db2.gz UUSMKOXTJDEEJF-SECBINFHSA-N 1 0 385.218 1.425 20 5 GDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841167870 655311776 /nfs/dbraw/zinc/31/17/76/655311776.db2.gz GPNGOHDPFBCOHU-SECBINFHSA-N 1 0 399.245 1.882 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841225121 655315568 /nfs/dbraw/zinc/31/55/68/655315568.db2.gz RHDZETMLNVRVCO-UWVGGRQHSA-N 1 0 399.245 1.990 20 5 GDBDRO Cn1ncc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1Cl ZINC000816610221 655329983 /nfs/dbraw/zinc/32/99/83/655329983.db2.gz CAFSLYSCLNQWTO-UHFFFAOYSA-N 1 0 387.849 1.351 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841525572 655337315 /nfs/dbraw/zinc/33/73/15/655337315.db2.gz ZPIWUHDFDVBDGA-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842479921 655366769 /nfs/dbraw/zinc/36/67/69/655366769.db2.gz JHUKVSNQEJNLDD-BDAKNGLRSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)ccc1Br ZINC000842481429 655367167 /nfs/dbraw/zinc/36/71/67/655367167.db2.gz IWDCWDGFUGAWHA-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000818430350 655374481 /nfs/dbraw/zinc/37/44/81/655374481.db2.gz NGVMZXURGCLTEW-NWDGAFQWSA-N 1 0 385.833 1.097 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000842773133 655376237 /nfs/dbraw/zinc/37/62/37/655376237.db2.gz GYYNYSWMDOGYHA-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)c1 ZINC000843083771 655388105 /nfs/dbraw/zinc/38/81/05/655388105.db2.gz KBAKINNRDKKTJS-ZWNOBZJWSA-N 1 0 375.212 1.782 20 5 GDBDRO C[NH+](C)CCCOC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825264950 655486827 /nfs/dbraw/zinc/48/68/27/655486827.db2.gz FCUSXFPAXPCULA-UHFFFAOYSA-N 1 0 379.822 1.021 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826800876 655501194 /nfs/dbraw/zinc/50/11/94/655501194.db2.gz YKXVJMHFMKBFNN-JTQLQIEISA-N 1 0 389.250 1.839 20 5 GDBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000850741466 655567641 /nfs/dbraw/zinc/56/76/41/655567641.db2.gz PWYDIQYWBWSSSS-ZETCQYMHSA-N 1 0 378.170 1.929 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000853116829 655632914 /nfs/dbraw/zinc/63/29/14/655632914.db2.gz MYIKWICHZNBFCN-BXUZGUMPSA-N 1 0 375.212 1.782 20 5 GDBDRO CN(CC(=O)N1CC(C[NH+](C)C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854721402 655675170 /nfs/dbraw/zinc/67/51/70/655675170.db2.gz DLNIQFVMSBIQOU-UHFFFAOYSA-N 1 0 385.262 1.814 20 5 GDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000863321332 655865899 /nfs/dbraw/zinc/86/58/99/655865899.db2.gz ONLWSRBLMZKULK-SECBINFHSA-N 1 0 392.637 1.807 20 5 GDBDRO CN1CC[NH+](C2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)CC1 ZINC000872732280 656375348 /nfs/dbraw/zinc/37/53/48/656375348.db2.gz RKMJKHIVCJSLLL-UHFFFAOYSA-N 1 0 387.282 1.223 20 5 GDBDRO C[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@]1(C)C(=O)NC2=O ZINC000879155793 656778545 /nfs/dbraw/zinc/77/85/45/656778545.db2.gz IHWYTNRLDJMZJR-GASCZTMLSA-N 1 0 382.214 1.842 20 5 GDBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896556838 658789348 /nfs/dbraw/zinc/78/93/48/658789348.db2.gz QIOULDXUJXTQKR-QMTHXVAHSA-N 1 0 385.262 1.721 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)cnc2c1 ZINC001164738634 720644786 /nfs/dbraw/zinc/64/47/86/720644786.db2.gz CGAGKSILIUOWBS-LSDHHAIUSA-N 1 0 393.407 1.670 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737420 720825018 /nfs/dbraw/zinc/82/50/18/720825018.db2.gz AYZHGZGSPKUFEN-IXDOHACOSA-N 1 0 398.471 1.664 20 5 GDBDRO Nc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164748256 720835638 /nfs/dbraw/zinc/83/56/38/720835638.db2.gz STWQRGAKNLXGFI-OWCLPIDISA-N 1 0 398.471 1.543 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851001 720844813 /nfs/dbraw/zinc/84/48/13/720844813.db2.gz GGBRCJBNPIQPGT-WFASDCNBSA-N 1 0 381.389 1.072 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164851000 720844987 /nfs/dbraw/zinc/84/49/87/720844987.db2.gz GGBRCJBNPIQPGT-SWLSCSKDSA-N 1 0 381.389 1.072 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC[C@@H]2C1 ZINC001164856095 720863009 /nfs/dbraw/zinc/86/30/09/720863009.db2.gz OTWCHCHCCFBMNV-CJNGLKHVSA-N 1 0 375.429 1.645 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(N)c([N+](=O)[O-])cn4)C3)O2)CC1 ZINC001164892548 721419161 /nfs/dbraw/zinc/41/91/61/721419161.db2.gz YSFHXHXAQXQJNL-BEFAXECRSA-N 1 0 390.488 1.337 20 5 GDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ccc([N+](=O)[O-])c(N)n1)CCC2 ZINC001165001509 722254538 /nfs/dbraw/zinc/25/45/38/722254538.db2.gz AITDTSRDLYBSCD-UHFFFAOYSA-N 1 0 375.433 1.257 20 5 GDBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOc1ccc(-c3nn[nH]n3)cc1)OCCO2 ZINC000823634665 946458528 /nfs/dbraw/zinc/45/85/28/946458528.db2.gz JPPBFARDDUNWQM-UHFFFAOYSA-N 1 0 398.379 1.715 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000178936909 530731549 /nfs/dbraw/zinc/73/15/49/530731549.db2.gz KQBHVYINLBGWOA-JTQLQIEISA-N 1 0 392.275 1.944 20 5 GDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066579291 530763786 /nfs/dbraw/zinc/76/37/86/530763786.db2.gz QZYGRDSNEKWZCH-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000186438860 530856371 /nfs/dbraw/zinc/85/63/71/530856371.db2.gz OJERLHXUGWEVBM-NSHDSACASA-N 1 0 375.422 1.753 20 5 GDBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000124107688 530991734 /nfs/dbraw/zinc/99/17/34/530991734.db2.gz LFRKTZJRDCRZSP-QMMMGPOBSA-N 1 0 380.264 1.800 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000124404375 530994994 /nfs/dbraw/zinc/99/49/94/530994994.db2.gz BDYNBMBMVVZXEV-UHFFFAOYSA-N 1 0 377.488 1.432 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000194730240 531008655 /nfs/dbraw/zinc/00/86/55/531008655.db2.gz RZSRCJLDCGHPGA-LLVKDONJSA-N 1 0 378.248 1.681 20 5 GDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]12 ZINC000248667558 531080590 /nfs/dbraw/zinc/08/05/90/531080590.db2.gz XCEBMYUTUQNCJJ-HLUHBDAQSA-N 1 0 379.360 1.971 20 5 GDBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264211236 531173442 /nfs/dbraw/zinc/17/34/42/531173442.db2.gz SJOLETZIUHKUOP-UHFFFAOYSA-N 1 0 377.438 1.713 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000156208773 531204428 /nfs/dbraw/zinc/20/44/28/531204428.db2.gz SVFZJCFFWKXFOI-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO CC(C)[NH+]1CCN(CCCn2cc(Br)cc([N+](=O)[O-])c2=O)CC1 ZINC000276662632 531220556 /nfs/dbraw/zinc/22/05/56/531220556.db2.gz YGBRAGBPQYQCFA-UHFFFAOYSA-N 1 0 387.278 1.935 20 5 GDBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290346764 531226855 /nfs/dbraw/zinc/22/68/55/531226855.db2.gz BZKMELLJZPYQAS-UHFFFAOYSA-N 1 0 381.813 1.122 20 5 GDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290805296 531257086 /nfs/dbraw/zinc/25/70/86/531257086.db2.gz NMVFEUOOOKREHD-LLVKDONJSA-N 1 0 399.245 1.848 20 5 GDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440349084 531334373 /nfs/dbraw/zinc/33/43/73/531334373.db2.gz LWGIEMIXKPTGDY-SECBINFHSA-N 1 0 378.248 1.717 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415325794 531475822 /nfs/dbraw/zinc/47/58/22/531475822.db2.gz WBFSIGUVLKNIRE-UHFFFAOYSA-N 1 0 385.218 1.426 20 5 GDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415356776 531478232 /nfs/dbraw/zinc/47/82/32/531478232.db2.gz HTFAEANZASIMEH-JTQLQIEISA-N 1 0 385.218 1.506 20 5 GDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000269276047 531633716 /nfs/dbraw/zinc/63/37/16/531633716.db2.gz OPBJMKLKFUTYOJ-NSHDSACASA-N 1 0 377.182 1.913 20 5 GDBDRO O=C([C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000591425705 531723627 /nfs/dbraw/zinc/72/36/27/531723627.db2.gz KLHZNCAMHCEZJE-LLVKDONJSA-N 1 0 398.261 1.401 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366508388 531751877 /nfs/dbraw/zinc/75/18/77/531751877.db2.gz OOXIYYZNKUXART-TZMCWYRMSA-N 1 0 384.230 1.950 20 5 GDBDRO C[NH+](C)[C@H](CNc1c(I)cncc1[N+](=O)[O-])C1CC1 ZINC000418850607 531854573 /nfs/dbraw/zinc/85/45/73/531854573.db2.gz DCPRCQSEBNGZLF-SNVBAGLBSA-N 1 0 376.198 1.768 20 5 GDBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000563478724 531844763 /nfs/dbraw/zinc/84/47/63/531844763.db2.gz QYMJQNARCFUKIL-SECBINFHSA-N 1 0 385.218 1.493 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000367831136 531868815 /nfs/dbraw/zinc/86/88/15/531868815.db2.gz GQEAMJOOJVFOKC-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1Br ZINC000367798762 531864428 /nfs/dbraw/zinc/86/44/28/531864428.db2.gz RUHDRODSLCRZRZ-BXKDBHETSA-N 1 0 390.259 1.730 20 5 GDBDRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000298395075 531883268 /nfs/dbraw/zinc/88/32/68/531883268.db2.gz LPABZCWXLHHEFB-NJZAAPMLSA-N 1 0 389.499 1.372 20 5 GDBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000598162994 531969836 /nfs/dbraw/zinc/96/98/36/531969836.db2.gz LWXCQISJPOLFTL-UHFFFAOYSA-N 1 0 389.193 1.833 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598725415 531993236 /nfs/dbraw/zinc/99/32/36/531993236.db2.gz OTDLHMBPLMMMIP-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000581428949 532080533 /nfs/dbraw/zinc/08/05/33/532080533.db2.gz MOWGEISQQWKIKB-GXSJLCMTSA-N 1 0 379.360 1.986 20 5 GDBDRO CN1CCN(C(=O)CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602542362 532080013 /nfs/dbraw/zinc/08/00/13/532080013.db2.gz VXFPBFZMDVFCOG-UHFFFAOYSA-N 1 0 391.291 1.673 20 5 GDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000285716903 532107788 /nfs/dbraw/zinc/10/77/88/532107788.db2.gz JPFKDGRQHVJYRN-ZIAGYGMSSA-N 1 0 384.230 1.902 20 5 GDBDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000272964434 532125420 /nfs/dbraw/zinc/12/54/20/532125420.db2.gz NAMBCSODQAZQEV-OAHLLOKOSA-N 1 0 386.861 1.740 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000376777638 532229142 /nfs/dbraw/zinc/22/91/42/532229142.db2.gz LKHKUSUERADCOQ-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000392604212 532299643 /nfs/dbraw/zinc/29/96/43/532299643.db2.gz RLUHCFAVZZIYCX-JTQLQIEISA-N 1 0 399.245 1.284 20 5 GDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736745441 598247892 /nfs/dbraw/zinc/24/78/92/598247892.db2.gz HOVKSJHJUGROKH-AWEZNQCLSA-N 1 0 388.432 1.130 20 5 GDBDRO C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262826 599542073 /nfs/dbraw/zinc/54/20/73/599542073.db2.gz ZVGKZMLUEPKNCV-LBPRGKRZSA-N 1 0 397.443 1.371 20 5 GDBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1-c1nn[nH]n1 ZINC000826194800 607521400 /nfs/dbraw/zinc/52/14/00/607521400.db2.gz WSIARNRARFGJGP-CYBMUJFWSA-N 1 0 396.411 1.865 20 5 GDBDRO CC[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000820926355 606482215 /nfs/dbraw/zinc/48/22/15/606482215.db2.gz RMKLQXAHMLNZTA-NHYWBVRUSA-N 1 0 383.416 1.754 20 5 GDBDRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821586445 606801531 /nfs/dbraw/zinc/80/15/31/606801531.db2.gz YEIPHRGFOPZMPB-UHFFFAOYSA-N 1 0 396.411 1.374 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000825938053 608034656 /nfs/dbraw/zinc/03/46/56/608034656.db2.gz NMQHDUGUARBCQI-UHFFFAOYSA-N 1 0 398.387 1.286 20 5 GDBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824293531 608060785 /nfs/dbraw/zinc/06/07/85/608060785.db2.gz QISFHUMIIZNMGF-UHFFFAOYSA-N 1 0 383.412 1.847 20 5 GDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569421 608563727 /nfs/dbraw/zinc/56/37/27/608563727.db2.gz HUXNKSKJMKPRKZ-JSGCOSHPSA-N 1 0 384.396 1.865 20 5 GDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123101138 644693480 /nfs/dbraw/zinc/69/34/80/644693480.db2.gz UNWLXHSDODSXRU-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000123279426 644695085 /nfs/dbraw/zinc/69/50/85/644695085.db2.gz BNCIUSBLYXPZMW-GHMZBOCLSA-N 1 0 378.248 1.906 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000173715079 644893820 /nfs/dbraw/zinc/89/38/20/644893820.db2.gz UGOFXYYXNGFWKX-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176724747 644913167 /nfs/dbraw/zinc/91/31/67/644913167.db2.gz ZBBZOFZOOSCRHX-UHFFFAOYSA-N 1 0 379.866 1.803 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000178964175 644929634 /nfs/dbraw/zinc/92/96/34/644929634.db2.gz AWWSFMUEKZPDFF-VIFPVBQESA-N 1 0 389.193 1.881 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC000262783339 645138997 /nfs/dbraw/zinc/13/89/97/645138997.db2.gz LTZWAJRFRYDWEP-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415531946 645896910 /nfs/dbraw/zinc/89/69/10/645896910.db2.gz VOTYKFMESVXODH-SCZZXKLOSA-N 1 0 399.245 1.800 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000445546952 647269451 /nfs/dbraw/zinc/26/94/51/647269451.db2.gz FCAJUGHKXFTSRD-DTWKUNHWSA-N 1 0 378.248 1.906 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000514857497 648469730 /nfs/dbraw/zinc/46/97/30/648469730.db2.gz STLOTSBUHAEPIM-QMMMGPOBSA-N 1 0 375.166 1.681 20 5 GDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Br)cc1 ZINC000518965484 648615701 /nfs/dbraw/zinc/61/57/01/648615701.db2.gz OKWMWBWPOCHNTC-RISCZKNCSA-N 1 0 399.245 1.972 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000571459981 651077359 /nfs/dbraw/zinc/07/73/59/651077359.db2.gz HOOVAEFIUJDJRC-BDAKNGLRSA-N 1 0 378.248 1.858 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000577139855 651710211 /nfs/dbraw/zinc/71/02/11/651710211.db2.gz IDNGTRZZYACYJM-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000579038315 651834546 /nfs/dbraw/zinc/83/45/46/651834546.db2.gz LIMFIFMQORQEKH-QMMMGPOBSA-N 1 0 380.264 1.894 20 5 GDBDRO COC[C@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315514 652112113 /nfs/dbraw/zinc/11/21/13/652112113.db2.gz XFAUSZPGMCKYMT-LBPRGKRZSA-N 1 0 380.182 1.686 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592381381 652185448 /nfs/dbraw/zinc/18/54/48/652185448.db2.gz GNGOGBVFQVFMMH-KOLCDFICSA-N 1 0 379.360 1.986 20 5 GDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NCC[NH+](C)C ZINC000594359336 652280614 /nfs/dbraw/zinc/28/06/14/652280614.db2.gz CQSPFWTVKFUWLF-SECBINFHSA-N 1 0 387.234 1.153 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000597624808 652455274 /nfs/dbraw/zinc/45/52/74/652455274.db2.gz LOZMHUOUZUNKGH-LBPRGKRZSA-N 1 0 383.246 1.477 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC000601968400 652611989 /nfs/dbraw/zinc/61/19/89/652611989.db2.gz LFJMXGJMIAZTOG-ARLBYUKCSA-N 1 0 393.241 1.843 20 5 GDBDRO CC[NH2+]Cc1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603238191 652687284 /nfs/dbraw/zinc/68/72/84/652687284.db2.gz SUYBUFKHGMWWKT-UHFFFAOYSA-N 1 0 387.181 1.949 20 5 GDBDRO CSCC[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000736296335 654591417 /nfs/dbraw/zinc/59/14/17/654591417.db2.gz FNPAQPKJOHSMKC-LBPRGKRZSA-N 1 0 390.531 1.988 20 5 GDBDRO CN(CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1cc(Br)ccc1[N+](=O)[O-] ZINC000814145247 655257355 /nfs/dbraw/zinc/25/73/55/655257355.db2.gz MHAZBHDKYDVOPA-ABAIWWIYSA-N 1 0 397.273 1.956 20 5 GDBDRO COC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+](C)C1 ZINC000839630191 655258302 /nfs/dbraw/zinc/25/83/02/655258302.db2.gz GOQOQGRFHNCISJ-GFCCVEGCSA-N 1 0 386.246 1.894 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000841165738 655311793 /nfs/dbraw/zinc/31/17/93/655311793.db2.gz YOILOTVIHHXRQI-VIFPVBQESA-N 1 0 385.218 1.472 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841211008 655314442 /nfs/dbraw/zinc/31/44/42/655314442.db2.gz VILGMSCYIZPWQL-RKDXNWHRSA-N 1 0 385.218 1.492 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCO1 ZINC000842485462 655368140 /nfs/dbraw/zinc/36/81/40/655368140.db2.gz UUMPQDSEWKDYEE-VIFPVBQESA-N 1 0 394.247 1.096 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000842836327 655380425 /nfs/dbraw/zinc/38/04/25/655380425.db2.gz RBAAEVISBIACEJ-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1=O ZINC000844762276 655414402 /nfs/dbraw/zinc/41/44/02/655414402.db2.gz PFVQDMXYIPKARF-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000846234582 655450450 /nfs/dbraw/zinc/45/04/50/655450450.db2.gz HWQHZKXZVDZQIM-WOPDTQHZSA-N 1 0 375.472 1.706 20 5 GDBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000848024544 655480510 /nfs/dbraw/zinc/48/05/10/655480510.db2.gz HJCWIPHOPXAAKW-SNVBAGLBSA-N 1 0 389.250 1.575 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000849414394 655529884 /nfs/dbraw/zinc/52/98/84/655529884.db2.gz FRTIGVNJMUCBFY-UHFFFAOYSA-N 1 0 389.499 1.826 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CCO1 ZINC000853625943 655645869 /nfs/dbraw/zinc/64/58/69/655645869.db2.gz WDHAMPMMKMROMN-NSHDSACASA-N 1 0 376.255 1.554 20 5 GDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000857233865 655731590 /nfs/dbraw/zinc/73/15/90/655731590.db2.gz HJOBYNDSJUSTAE-TVQRCGJNSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000857236510 655731726 /nfs/dbraw/zinc/73/17/26/655731726.db2.gz ZZOVNPVHRBUKIR-TVQRCGJNSA-N 1 0 390.259 1.859 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1Br ZINC000866827932 655967715 /nfs/dbraw/zinc/96/77/15/655967715.db2.gz TZOYJVKVDBBIPX-NWDGAFQWSA-N 1 0 390.259 1.872 20 5 GDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000932831718 657226487 /nfs/dbraw/zinc/22/64/87/657226487.db2.gz UMNIKASYGMOKMA-CYBMUJFWSA-N 1 0 398.257 1.820 20 5 GDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000932835291 657227208 /nfs/dbraw/zinc/22/72/08/657227208.db2.gz KMQVNNOPNODYTG-GFCCVEGCSA-N 1 0 398.257 1.820 20 5 GDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000903590095 659356016 /nfs/dbraw/zinc/35/60/16/659356016.db2.gz MLYIISXANPAESJ-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907563651 659784952 /nfs/dbraw/zinc/78/49/52/659784952.db2.gz GWLVPYJYFKEBBF-OTYXRUKQSA-N 1 0 377.825 1.960 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164620407 719014340 /nfs/dbraw/zinc/01/43/40/719014340.db2.gz ZAEKVUNARWNUQC-ZHAHWJHGSA-N 1 0 390.774 1.918 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C2 ZINC001164808586 720116487 /nfs/dbraw/zinc/11/64/87/720116487.db2.gz FVDFOKYZUVIWIJ-BEFAXECRSA-N 1 0 391.472 1.887 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738279 720614790 /nfs/dbraw/zinc/61/47/90/720614790.db2.gz BNTMVAHSPJILDW-CHWSQXEVSA-N 1 0 376.804 1.775 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164769098 721098910 /nfs/dbraw/zinc/09/89/10/721098910.db2.gz ODGZEPOPVWHMNF-KBPBESRZSA-N 1 0 387.400 1.590 20 5 GDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164924099 721853826 /nfs/dbraw/zinc/85/38/26/721853826.db2.gz CBJIVSZSHUVJGT-GHMZBOCLSA-N 1 0 398.851 1.039 20 5 GDBDRO CSc1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164926738 721866571 /nfs/dbraw/zinc/86/65/71/721866571.db2.gz SIZOSGXMPAKUQM-QWRGUYRKSA-N 1 0 386.909 1.975 20 5 GDBDRO COc1cc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826178786 947553843 /nfs/dbraw/zinc/55/38/43/947553843.db2.gz MOAKILVMDRDQND-UHFFFAOYSA-N 1 0 387.404 1.153 20 5 GDBDRO CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CC[NH+](C)CC1 ZINC000173452086 530630947 /nfs/dbraw/zinc/63/09/47/530630947.db2.gz OMWWDVYJJLJDJZ-LBPRGKRZSA-N 1 0 376.504 1.207 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183918736 530822199 /nfs/dbraw/zinc/82/21/99/530822199.db2.gz NJLQOSBYXLQXCN-ZIAGYGMSSA-N 1 0 385.218 1.238 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000127505952 531031168 /nfs/dbraw/zinc/03/11/68/531031168.db2.gz IKFWIHXGPCBZNM-QWHCGFSZSA-N 1 0 389.499 1.703 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124828895 531000070 /nfs/dbraw/zinc/00/00/70/531000070.db2.gz DIZZINITZWTGLB-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237725649 531049409 /nfs/dbraw/zinc/04/94/09/531049409.db2.gz QWMSEFIQGGOGAS-JTQLQIEISA-N 1 0 392.275 1.944 20 5 GDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261898738 531102353 /nfs/dbraw/zinc/10/23/53/531102353.db2.gz OQVAWXWBGAUNCY-ZDUSSCGKSA-N 1 0 383.246 1.477 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000150871712 531130950 /nfs/dbraw/zinc/13/09/50/531130950.db2.gz KXWCZKAEIHWJAW-NSHDSACASA-N 1 0 379.866 1.883 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262875008 531133573 /nfs/dbraw/zinc/13/35/73/531133573.db2.gz VIGHZXHKDLNIJO-PRHODGIISA-N 1 0 389.193 1.927 20 5 GDBDRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000265327223 531243625 /nfs/dbraw/zinc/24/36/25/531243625.db2.gz USYXPNLMVQPWCT-UHFFFAOYSA-N 1 0 385.471 1.185 20 5 GDBDRO Cc1c(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328796 531261091 /nfs/dbraw/zinc/26/10/91/531261091.db2.gz MWNJDBRNRKZHBB-AWEZNQCLSA-N 1 0 387.234 1.854 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H](C)C[NH2+]1 ZINC000474185808 531271488 /nfs/dbraw/zinc/27/14/88/531271488.db2.gz SDNYNULCOZAEBD-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000440437107 531338949 /nfs/dbraw/zinc/33/89/49/531338949.db2.gz WQKUUBBTGCTOBV-NSHDSACASA-N 1 0 380.264 1.927 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000440343055 531333679 /nfs/dbraw/zinc/33/36/79/531333679.db2.gz SXBDGZBNSOQAAA-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO [NH3+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000440341312 531333917 /nfs/dbraw/zinc/33/39/17/531333917.db2.gz PIBYZGFFQJMSIJ-UHFFFAOYSA-N 1 0 378.248 1.717 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447054670 531414064 /nfs/dbraw/zinc/41/40/64/531414064.db2.gz PICAWSOJAMWPQL-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000536503748 531451702 /nfs/dbraw/zinc/45/17/02/531451702.db2.gz XVDDXGCPYZZVQZ-UHFFFAOYSA-N 1 0 386.455 1.470 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415335566 531476880 /nfs/dbraw/zinc/47/68/80/531476880.db2.gz REWMNZUJPGQVDW-JTQLQIEISA-N 1 0 399.245 1.720 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415539389 531492601 /nfs/dbraw/zinc/49/26/01/531492601.db2.gz JQDHVIKGANJLJS-DTWKUNHWSA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415561146 531495583 /nfs/dbraw/zinc/49/55/83/531495583.db2.gz MALHCEATKKCJPX-BDAKNGLRSA-N 1 0 385.218 1.505 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415751333 531524844 /nfs/dbraw/zinc/52/48/44/531524844.db2.gz WCADEVZLEZODCH-ZJUUUORDSA-N 1 0 397.229 1.364 20 5 GDBDRO CN1CCC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1=O ZINC000558486239 531563203 /nfs/dbraw/zinc/56/32/03/531563203.db2.gz SWBRJEWPSIDCRF-LBPRGKRZSA-N 1 0 389.193 1.910 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000591328822 531715678 /nfs/dbraw/zinc/71/56/78/531715678.db2.gz QDJPINBRBVHYMK-BXKDBHETSA-N 1 0 379.360 1.938 20 5 GDBDRO C[NH+](C)C1(CNc2c(I)cncc2[N+](=O)[O-])CCC1 ZINC000418918512 531863331 /nfs/dbraw/zinc/86/33/31/531863331.db2.gz CVWWMTUQHKAUMC-UHFFFAOYSA-N 1 0 376.198 1.913 20 5 GDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(Br)c1 ZINC000298526574 531898919 /nfs/dbraw/zinc/89/89/19/531898919.db2.gz WDJGJIBILFUMGZ-HUUCEWRRSA-N 1 0 399.245 1.580 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000596052546 531906589 /nfs/dbraw/zinc/90/65/89/531906589.db2.gz UOKAFPXYPFYXKN-VIFPVBQESA-N 1 0 375.300 1.253 20 5 GDBDRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000299373637 531984188 /nfs/dbraw/zinc/98/41/88/531984188.db2.gz ZYNSBFURRUGHRA-UHFFFAOYSA-N 1 0 385.471 1.185 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000599103103 532006427 /nfs/dbraw/zinc/00/64/27/532006427.db2.gz SFPXPVGXDPPLCG-YPMHNXCESA-N 1 0 381.376 1.884 20 5 GDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101761 532005257 /nfs/dbraw/zinc/00/52/57/532005257.db2.gz BEQLHPSONXFVPM-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(Br)c1 ZINC000420451963 532015318 /nfs/dbraw/zinc/01/53/18/532015318.db2.gz RPNHLXLFXPTAJT-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420454958 532017691 /nfs/dbraw/zinc/01/76/91/532017691.db2.gz LTCIDGSBTHJLHX-SNVBAGLBSA-N 1 0 394.247 1.014 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000420470928 532020664 /nfs/dbraw/zinc/02/06/64/532020664.db2.gz ONEQTPNTOBPUAN-SECBINFHSA-N 1 0 384.241 1.640 20 5 GDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301712812 532037926 /nfs/dbraw/zinc/03/79/26/532037926.db2.gz YLXBYCPALRVBAB-JTQLQIEISA-N 1 0 386.250 1.752 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000272425892 532097902 /nfs/dbraw/zinc/09/79/02/532097902.db2.gz FRNSKAODSQGKIN-UHFFFAOYSA-N 1 0 377.850 1.292 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000374393042 532120379 /nfs/dbraw/zinc/12/03/79/532120379.db2.gz LQTYMNZMCBNJIO-IJLUTSLNSA-N 1 0 375.472 1.529 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274796446 532233383 /nfs/dbraw/zinc/23/33/83/532233383.db2.gz MKKGAOYAFRRELM-ZIAGYGMSSA-N 1 0 389.474 1.934 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275452219 532295785 /nfs/dbraw/zinc/29/57/85/532295785.db2.gz IPXNVFYDCOMCQH-HZPDHXFCSA-N 1 0 385.511 1.936 20 5 GDBDRO CN1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1=O ZINC000289622844 532329773 /nfs/dbraw/zinc/32/97/73/532329773.db2.gz WLPZVUBFLJIJDE-NSHDSACASA-N 1 0 389.193 1.910 20 5 GDBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000289989476 532334926 /nfs/dbraw/zinc/33/49/26/532334926.db2.gz VQOFSFBVNTYWTF-LLVKDONJSA-N 1 0 375.422 1.847 20 5 GDBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000821863695 599259992 /nfs/dbraw/zinc/25/99/92/599259992.db2.gz NAICZDKXEJRVKH-HNNXBMFYSA-N 1 0 384.400 1.893 20 5 GDBDRO C[NH+](C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736770672 598500621 /nfs/dbraw/zinc/50/06/21/598500621.db2.gz DJTBDTVTLSMHOS-UHFFFAOYSA-N 1 0 384.400 1.722 20 5 GDBDRO C[NH+](C)CCOc1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821587411 606699202 /nfs/dbraw/zinc/69/92/02/606699202.db2.gz WGMHEMGUFWMIQD-UHFFFAOYSA-N 1 0 384.400 1.722 20 5 GDBDRO C[NH+](C)CCCOC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821584547 606715566 /nfs/dbraw/zinc/71/55/66/606715566.db2.gz ISXJDPRMRPDHOJ-UHFFFAOYSA-N 1 0 376.421 1.107 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000823640195 606772448 /nfs/dbraw/zinc/77/24/48/606772448.db2.gz WXVBBYQHKVAQIS-SECBINFHSA-N 1 0 389.807 1.456 20 5 GDBDRO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000820788774 606785529 /nfs/dbraw/zinc/78/55/29/606785529.db2.gz NTKLGNFXHCNGJY-ZDUSSCGKSA-N 1 0 395.427 1.318 20 5 GDBDRO COc1ccc(C[C@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000826190557 608300435 /nfs/dbraw/zinc/30/04/35/608300435.db2.gz FRWLELXDKQLQMK-KRWDZBQOSA-N 1 0 384.400 1.551 20 5 GDBDRO C[N@H+](CCO)C1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000825941236 609316502 /nfs/dbraw/zinc/31/65/02/609316502.db2.gz FLAFJTUBVLBTOD-UHFFFAOYSA-N 1 0 398.427 1.216 20 5 GDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@H]1[NH+](C)C ZINC000536814896 650281468 /nfs/dbraw/zinc/28/14/68/650281468.db2.gz LMNUEDKRKOTMHV-HIFRSBDPSA-N 1 0 385.511 1.797 20 5 GDBDRO Cn1ncc(Cl)c1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000554874884 650682779 /nfs/dbraw/zinc/68/27/79/650682779.db2.gz NEQMYYSZPKMDMQ-UHFFFAOYSA-N 1 0 387.849 1.351 20 5 GDBDRO CC[N@H+](CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)CCC(F)(F)F ZINC000565281017 650790321 /nfs/dbraw/zinc/79/03/21/650790321.db2.gz DBTUZDWXLAVEFK-UHFFFAOYSA-N 1 0 384.380 1.928 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567670187 650913884 /nfs/dbraw/zinc/91/38/84/650913884.db2.gz UOUUHMYFUKBBMR-JTQLQIEISA-N 1 0 375.166 1.681 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000178940434 644929067 /nfs/dbraw/zinc/92/90/67/644929067.db2.gz KTICCRXXVMWXCP-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000238022278 645089733 /nfs/dbraw/zinc/08/97/33/645089733.db2.gz DKJAXFXOJGMDPH-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262800443 645139398 /nfs/dbraw/zinc/13/93/98/645139398.db2.gz QQTGFVNMNMDFMZ-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000330615277 645384116 /nfs/dbraw/zinc/38/41/16/645384116.db2.gz UHUJRENWKNVBGX-OLZOCXBDSA-N 1 0 375.422 1.693 20 5 GDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440442128 646243390 /nfs/dbraw/zinc/24/33/90/646243390.db2.gz JBBMRUKHZOEBSL-UHFFFAOYSA-N 1 0 380.264 1.963 20 5 GDBDRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000917903589 660224312 /nfs/dbraw/zinc/22/43/12/660224312.db2.gz NRCFDYFFBJRRPL-UHFFFAOYSA-N 1 0 388.877 1.116 20 5 GDBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141010 651469068 /nfs/dbraw/zinc/46/90/68/651469068.db2.gz NLEJGVZOVKADGF-VXGBXAGGSA-N 1 0 398.217 1.133 20 5 GDBDRO Cc1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)sc1Br ZINC000579828483 651878252 /nfs/dbraw/zinc/87/82/52/651878252.db2.gz ZKRZTIBLKDUYJG-VIFPVBQESA-N 1 0 376.236 1.469 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000592383032 652186470 /nfs/dbraw/zinc/18/64/70/652186470.db2.gz ALADUMJEKPUKEI-OCAPTIKFSA-N 1 0 394.247 1.442 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592392571 652188778 /nfs/dbraw/zinc/18/87/78/652188778.db2.gz NKKRNTXPBJVZRQ-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593731269 652244785 /nfs/dbraw/zinc/24/47/85/652244785.db2.gz BWPOWQHKQYMKKQ-ZWNOBZJWSA-N 1 0 375.422 1.881 20 5 GDBDRO C[C@@H](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000594816052 652372048 /nfs/dbraw/zinc/37/20/48/652372048.db2.gz DIDPKNDLJIEYGU-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595403124 652417473 /nfs/dbraw/zinc/41/74/73/652417473.db2.gz CAOLHEZZVAZDCZ-ZDUSSCGKSA-N 1 0 391.877 1.980 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599889322 652516921 /nfs/dbraw/zinc/51/69/21/652516921.db2.gz MFPOAYFCXPSWQA-ZDUSSCGKSA-N 1 0 399.245 1.752 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC000601968402 652611937 /nfs/dbraw/zinc/61/19/37/652611937.db2.gz LFJMXGJMIAZTOG-SLBVQIDZSA-N 1 0 393.241 1.843 20 5 GDBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000614548531 652960632 /nfs/dbraw/zinc/96/06/32/652960632.db2.gz FMOXZBLUCZIAEX-NSHDSACASA-N 1 0 375.422 1.895 20 5 GDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1I)C1CC([NH3+])C1 ZINC000700966751 654832024 /nfs/dbraw/zinc/83/20/24/654832024.db2.gz PIBZTBDLBJGAJC-UHFFFAOYSA-N 1 0 375.166 1.761 20 5 GDBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000831106473 654972369 /nfs/dbraw/zinc/97/23/69/654972369.db2.gz YTNGZEPNENLDLS-GFCCVEGCSA-N 1 0 384.241 1.247 20 5 GDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000792993692 655105074 /nfs/dbraw/zinc/10/50/74/655105074.db2.gz AJZADTHVICJUIV-JTQLQIEISA-N 1 0 399.245 1.896 20 5 GDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809821104 655138513 /nfs/dbraw/zinc/13/85/13/655138513.db2.gz HYMPVKHSHSXUMW-UHFFFAOYSA-N 1 0 383.829 1.634 20 5 GDBDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000810370413 655157076 /nfs/dbraw/zinc/15/70/76/655157076.db2.gz WMUKMIILYPAIRZ-ONGXEEELSA-N 1 0 399.245 1.895 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000813740577 655244720 /nfs/dbraw/zinc/24/47/20/655244720.db2.gz CESRAIPTAUFYEB-BXKDBHETSA-N 1 0 390.259 1.682 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841225533 655315769 /nfs/dbraw/zinc/31/57/69/655315769.db2.gz AIUWMZCZVDHKIZ-IUCAKERBSA-N 1 0 385.218 1.682 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000841241507 655316655 /nfs/dbraw/zinc/31/66/55/655316655.db2.gz PXZLSOPXLMKCCN-WPRPVWTQSA-N 1 0 385.218 1.552 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)ccc1Br ZINC000842482423 655367430 /nfs/dbraw/zinc/36/74/30/655367430.db2.gz VNIHPWPRTAEYEZ-SECBINFHSA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C[NH3+] ZINC000842486143 655368272 /nfs/dbraw/zinc/36/82/72/655368272.db2.gz STCLTLYBKUDBBT-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000842743117 655374758 /nfs/dbraw/zinc/37/47/58/655374758.db2.gz BZWBJXSUIICFCL-GZMMTYOYSA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842832403 655380164 /nfs/dbraw/zinc/38/01/64/655380164.db2.gz BMQXBQRJMPHFLT-LDYMZIIASA-N 1 0 378.248 1.634 20 5 GDBDRO CC[NH+](CC)CCOC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825255240 655486686 /nfs/dbraw/zinc/48/66/86/655486686.db2.gz IXVPLJXQDYRYRP-UHFFFAOYSA-N 1 0 393.849 1.412 20 5 GDBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849429674 655533857 /nfs/dbraw/zinc/53/38/57/655533857.db2.gz UFSIKWYMGVAKOX-UHFFFAOYSA-N 1 0 396.872 1.549 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000850593734 655559911 /nfs/dbraw/zinc/55/99/11/655559911.db2.gz ZDVZBDPCENWGJI-NXEZZACHSA-N 1 0 382.211 1.417 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000858625138 655751053 /nfs/dbraw/zinc/75/10/53/655751053.db2.gz OTJQUWWSZQVVTL-VHSXEESVSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866829113 655967887 /nfs/dbraw/zinc/96/78/87/655967887.db2.gz YZVNOTZNIUSRDD-STQMWFEESA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000867324107 656038217 /nfs/dbraw/zinc/03/82/17/656038217.db2.gz QENJMPVQHZRTOF-UHFFFAOYSA-N 1 0 378.248 1.539 20 5 GDBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000867324134 656038243 /nfs/dbraw/zinc/03/82/43/656038243.db2.gz RLYZTRALRAIOCR-UHFFFAOYSA-N 1 0 392.275 1.848 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000872641034 656369042 /nfs/dbraw/zinc/36/90/42/656369042.db2.gz XDWQVEXBZPFQAH-UHFFFAOYSA-N 1 0 395.840 1.733 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)CC1 ZINC000882100486 657042775 /nfs/dbraw/zinc/04/27/75/657042775.db2.gz FNLRNNHXEAHAQT-UHFFFAOYSA-N 1 0 390.893 1.472 20 5 GDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896540613 658787144 /nfs/dbraw/zinc/78/71/44/658787144.db2.gz GFNIPWPSVURRDC-BXKDBHETSA-N 1 0 386.250 1.116 20 5 GDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000903589387 659355971 /nfs/dbraw/zinc/35/59/71/659355971.db2.gz ALRZIDRSXCOQJG-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO CC(C)N(C)Cc1nn(-c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164683667 719625160 /nfs/dbraw/zinc/62/51/60/719625160.db2.gz UNABEQSCLPFNGJ-UHFFFAOYSA-N 1 0 380.836 1.553 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c(OC)n1)C2 ZINC001164807963 720067428 /nfs/dbraw/zinc/06/74/28/720067428.db2.gz GQNQFJZJBUPHCL-RDTXWAMCSA-N 1 0 377.445 1.578 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001164833412 720324999 /nfs/dbraw/zinc/32/49/99/720324999.db2.gz WYIWBJWJBUDDBP-GJZGRUSLSA-N 1 0 388.472 1.484 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744367 720611489 /nfs/dbraw/zinc/61/14/89/720611489.db2.gz RUKMKRQDGAKJQK-MNOVXSKESA-N 1 0 377.792 1.170 20 5 GDBDRO CCOc1nc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164853565 720867089 /nfs/dbraw/zinc/86/70/89/720867089.db2.gz HJGUKPYWEUAFAM-ZBFHGGJFSA-N 1 0 380.445 1.562 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC[C@H]2C1 ZINC001164853770 720880696 /nfs/dbraw/zinc/88/06/96/720880696.db2.gz CSZODODJVJSFJA-DOTOQJQBSA-N 1 0 394.472 1.951 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164773916 721141208 /nfs/dbraw/zinc/14/12/08/721141208.db2.gz ZDJYCHXWELOBDM-UONOGXRCSA-N 1 0 392.847 1.573 20 5 GDBDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971163 722151804 /nfs/dbraw/zinc/15/18/04/722151804.db2.gz AXDHXKVHINMGRE-WMZOPIPTSA-N 1 0 384.440 1.816 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000823630260 946458125 /nfs/dbraw/zinc/45/81/25/946458125.db2.gz UQRADKUXDOROCH-MRXNPFEDSA-N 1 0 396.407 1.573 20 5 GDBDRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826158870 947500512 /nfs/dbraw/zinc/50/05/12/947500512.db2.gz GOAPNQHFFCBPMJ-GOSISDBHSA-N 1 0 398.423 1.957 20 5 GDBDRO C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592512993 978341389 /nfs/dbraw/zinc/34/13/89/978341389.db2.gz AALRNBYZHSBIAK-AWEZNQCLSA-N 1 0 380.445 1.174 20 5 GDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000160536677 530553201 /nfs/dbraw/zinc/55/32/01/530553201.db2.gz VZGJOFVPNZIUBL-AWEZNQCLSA-N 1 0 386.246 1.934 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161718176 530563024 /nfs/dbraw/zinc/56/30/24/530563024.db2.gz OGWFXVFPXQITEP-GFCCVEGCSA-N 1 0 391.877 1.763 20 5 GDBDRO Cc1c(Br)cc(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000163085885 530572656 /nfs/dbraw/zinc/57/26/56/530572656.db2.gz VROTUTUZMKZRKR-UHFFFAOYSA-N 1 0 385.262 1.643 20 5 GDBDRO Cc1c(Br)cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000163081737 530572933 /nfs/dbraw/zinc/57/29/33/530572933.db2.gz OEHHLRZWMNMMSJ-UHFFFAOYSA-N 1 0 399.289 1.985 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000183663477 530818693 /nfs/dbraw/zinc/81/86/93/530818693.db2.gz KOBRRSQEAZXMKZ-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000119718575 530930618 /nfs/dbraw/zinc/93/06/18/530930618.db2.gz FYEMAGGPRNWNAD-UHFFFAOYSA-N 1 0 375.422 1.201 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000193100831 530979544 /nfs/dbraw/zinc/97/95/44/530979544.db2.gz PRZLOUMJYFCKGG-UHFFFAOYSA-N 1 0 390.893 1.472 20 5 GDBDRO CC[NH+](CC)CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000193377940 530985690 /nfs/dbraw/zinc/98/56/90/530985690.db2.gz RWLBHHKTSRDUIF-CYBMUJFWSA-N 1 0 389.499 1.627 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193458389 530987271 /nfs/dbraw/zinc/98/72/71/530987271.db2.gz DFFFPXLLXVGROU-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH+](C)C1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000130502486 531061768 /nfs/dbraw/zinc/06/17/68/531061768.db2.gz NZSDGPZXUPLOQT-UHFFFAOYSA-N 1 0 375.166 1.585 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236626592 531038558 /nfs/dbraw/zinc/03/85/58/531038558.db2.gz UNHWRGMWNOORLC-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000249461613 531087368 /nfs/dbraw/zinc/08/73/68/531087368.db2.gz PCCLEAMYHDOJKK-GXFFZTMASA-N 1 0 375.422 1.703 20 5 GDBDRO COCC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000261777523 531098787 /nfs/dbraw/zinc/09/87/87/531098787.db2.gz XMSZRVMIXPVIQG-UHFFFAOYSA-N 1 0 377.850 1.543 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000262138486 531109944 /nfs/dbraw/zinc/10/99/44/531109944.db2.gz DTVSRSSAZWNBCR-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150880566 531130988 /nfs/dbraw/zinc/13/09/88/531130988.db2.gz FETUUOYYGVXURP-GFCCVEGCSA-N 1 0 379.866 1.883 20 5 GDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CN(C)CCO1 ZINC000157446253 531206661 /nfs/dbraw/zinc/20/66/61/531206661.db2.gz ZTDLYSYGYYUGBE-QMTHXVAHSA-N 1 0 386.246 1.735 20 5 GDBDRO CC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000264944352 531213883 /nfs/dbraw/zinc/21/38/83/531213883.db2.gz WRSAMDKOJFLYBU-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO O=C(C[C@H]1CSCC[NH2+]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000434868696 531252110 /nfs/dbraw/zinc/25/21/10/531252110.db2.gz MCWVQXIKGYSRTL-NSHDSACASA-N 1 0 384.483 1.036 20 5 GDBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290805300 531256800 /nfs/dbraw/zinc/25/68/00/531256800.db2.gz NMVFEUOOOKREHD-NSHDSACASA-N 1 0 399.245 1.848 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440359859 531334483 /nfs/dbraw/zinc/33/44/83/531334483.db2.gz PXSFQASWVNLCBQ-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000267260141 531414845 /nfs/dbraw/zinc/41/48/45/531414845.db2.gz PXWJWDJPHZFEMX-LBPRGKRZSA-N 1 0 384.278 1.969 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000447249087 531423070 /nfs/dbraw/zinc/42/30/70/531423070.db2.gz WJEPIMNFXNGFAW-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415366167 531479875 /nfs/dbraw/zinc/47/98/75/531479875.db2.gz DSEPCIQBANESLI-UHFFFAOYSA-N 1 0 385.218 1.682 20 5 GDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415379981 531481364 /nfs/dbraw/zinc/48/13/64/531481364.db2.gz RYJPOPLWMGKZMD-LLVKDONJSA-N 1 0 399.245 1.815 20 5 GDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269456926 531673591 /nfs/dbraw/zinc/67/35/91/531673591.db2.gz FUOVMHCGFQTFMC-SNVBAGLBSA-N 1 0 378.248 1.682 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269482360 531676762 /nfs/dbraw/zinc/67/67/62/531676762.db2.gz OTVUHCVEVCIGGV-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000592367129 531782069 /nfs/dbraw/zinc/78/20/69/531782069.db2.gz ISYZESVPEVPSGU-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592875425 531807106 /nfs/dbraw/zinc/80/71/06/531807106.db2.gz YATXNHWZVLINDH-SNVBAGLBSA-N 1 0 399.245 1.549 20 5 GDBDRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595242496 531871209 /nfs/dbraw/zinc/87/12/09/531871209.db2.gz SQKHUEBPQFZSOL-GHMZBOCLSA-N 1 0 389.181 1.194 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000271082259 531962895 /nfs/dbraw/zinc/96/28/95/531962895.db2.gz IDSLWODMTDACLJ-DGCLKSJQSA-N 1 0 375.472 1.270 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000271102340 531966795 /nfs/dbraw/zinc/96/67/95/531966795.db2.gz NROLRMNCPAYPGJ-JSGCOSHPSA-N 1 0 375.472 1.270 20 5 GDBDRO O=[N+]([O-])c1cc(I)ccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199647 532011727 /nfs/dbraw/zinc/01/17/27/532011727.db2.gz OIOREWHMIKKOFK-JTQLQIEISA-N 1 0 377.182 1.678 20 5 GDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000420462075 532018852 /nfs/dbraw/zinc/01/88/52/532018852.db2.gz MNOQNFVDAFUKGP-VIFPVBQESA-N 1 0 388.190 1.618 20 5 GDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000420466805 532019562 /nfs/dbraw/zinc/01/95/62/532019562.db2.gz RMOGZLQKTQJQBM-SSDOTTSWSA-N 1 0 377.291 1.874 20 5 GDBDRO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000578560900 532052075 /nfs/dbraw/zinc/05/20/75/532052075.db2.gz IESLUEGAEBHIJT-MRVPVSSYSA-N 1 0 398.222 1.722 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000579702801 532064095 /nfs/dbraw/zinc/06/40/95/532064095.db2.gz IHEJGMBPQJDUJC-LLVKDONJSA-N 1 0 380.754 1.814 20 5 GDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285723521 532107738 /nfs/dbraw/zinc/10/77/38/532107738.db2.gz KADOWBFFMWQJJK-KGLIPLIRSA-N 1 0 384.230 1.902 20 5 GDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000273069850 532132376 /nfs/dbraw/zinc/13/23/76/532132376.db2.gz VDUHWUSZUAFFRQ-QMMMGPOBSA-N 1 0 375.166 1.539 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275347285 532288445 /nfs/dbraw/zinc/28/84/45/532288445.db2.gz GCKGXFCVPLGTMN-STQMWFEESA-N 1 0 393.462 1.409 20 5 GDBDRO CN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000390859188 532297827 /nfs/dbraw/zinc/29/78/27/532297827.db2.gz JWNJJDKHIQRGQJ-LLVKDONJSA-N 1 0 380.246 1.985 20 5 GDBDRO CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275758354 532309332 /nfs/dbraw/zinc/30/93/32/532309332.db2.gz DZENQTOQBXXDDZ-HUUCEWRRSA-N 1 0 386.499 1.258 20 5 GDBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823651088 599205107 /nfs/dbraw/zinc/20/51/07/599205107.db2.gz FMBORNCSJNHBPN-UHFFFAOYSA-N 1 0 388.432 1.617 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370217 598503223 /nfs/dbraw/zinc/50/32/23/598503223.db2.gz RPCPGVDCCUBRGZ-INIZCTEOSA-N 1 0 396.411 1.026 20 5 GDBDRO COCC[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000821691305 599534769 /nfs/dbraw/zinc/53/47/69/599534769.db2.gz PLPDMLNDBVNXGH-LBPRGKRZSA-N 1 0 398.427 1.480 20 5 GDBDRO C[NH+](C)C1(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000821581622 606712467 /nfs/dbraw/zinc/71/24/67/606712467.db2.gz QJYOQVUBSBNPFS-UHFFFAOYSA-N 1 0 380.412 1.681 20 5 GDBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823647127 606854801 /nfs/dbraw/zinc/85/48/01/606854801.db2.gz GKYBHTLCCDRICW-GOSISDBHSA-N 1 0 395.423 1.631 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000823629577 607129521 /nfs/dbraw/zinc/12/95/21/607129521.db2.gz ALAQTJVRNAMLLI-NVXWUHKLSA-N 1 0 387.444 1.955 20 5 GDBDRO Cc1ccccc1C[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000822361501 607163402 /nfs/dbraw/zinc/16/34/02/607163402.db2.gz CTRCXGJNVVIWGX-UHFFFAOYSA-N 1 0 380.412 1.801 20 5 GDBDRO CS[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000536171095 650266521 /nfs/dbraw/zinc/26/65/21/650266521.db2.gz JNWBXFONYVCAPF-CABCVRRESA-N 1 0 388.515 1.327 20 5 GDBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000567659320 650913060 /nfs/dbraw/zinc/91/30/60/650913060.db2.gz UNIVLEGMHKFGRO-RDDDGLTNSA-N 1 0 375.166 1.619 20 5 GDBDRO C[NH+](C)CCCOC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119928890 644664766 /nfs/dbraw/zinc/66/47/66/644664766.db2.gz AUFSVGKFGIPRLB-UHFFFAOYSA-N 1 0 377.488 1.778 20 5 GDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238055917 645089330 /nfs/dbraw/zinc/08/93/30/645089330.db2.gz XKWUGIZXWKDVLZ-WCBMZHEXSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000569605456 651006562 /nfs/dbraw/zinc/00/65/62/651006562.db2.gz JCUXXCMFDAMORB-NXEZZACHSA-N 1 0 390.259 1.587 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420479069 645944766 /nfs/dbraw/zinc/94/47/66/645944766.db2.gz ZCQXYVFMLQUQKO-KWQFWETISA-N 1 0 378.248 1.776 20 5 GDBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000919095440 660245976 /nfs/dbraw/zinc/24/59/76/660245976.db2.gz BQGVJBCWNXYUTH-OAHLLOKOSA-N 1 0 386.246 1.820 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000467043431 647627008 /nfs/dbraw/zinc/62/70/08/647627008.db2.gz FUORZYZFWLYAKV-UHFFFAOYSA-N 1 0 377.488 1.696 20 5 GDBDRO O=C([C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1)N1CC[NH2+]CC1 ZINC000577165612 651712069 /nfs/dbraw/zinc/71/20/69/651712069.db2.gz PYHTWOPARGXTMF-LLVKDONJSA-N 1 0 398.261 1.401 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591304512 652160862 /nfs/dbraw/zinc/16/08/62/652160862.db2.gz ICEMPJCSPUOYPN-NOZJJQNGSA-N 1 0 397.229 1.506 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000591560844 652163511 /nfs/dbraw/zinc/16/35/11/652163511.db2.gz OJPNRFYHTGOPPT-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccc(Br)cc2)c1 ZINC000591728973 652164116 /nfs/dbraw/zinc/16/41/16/652164116.db2.gz NSIWXSZEFQFWAT-CYBMUJFWSA-N 1 0 385.218 1.583 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000594821815 652373869 /nfs/dbraw/zinc/37/38/69/652373869.db2.gz OMSRWJUMXVRFRR-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO CC(C)[NH2+]C1(CO)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000596251325 652438131 /nfs/dbraw/zinc/43/81/31/652438131.db2.gz QOBGJQIUTKPIQO-UHFFFAOYSA-N 1 0 377.488 1.389 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599381495 652487933 /nfs/dbraw/zinc/48/79/33/652487933.db2.gz KXZRUEDPNSTWHT-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939329 652519205 /nfs/dbraw/zinc/51/92/05/652519205.db2.gz HJZIJZHXAOICHY-GHMZBOCLSA-N 1 0 384.230 1.638 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601398531 652575926 /nfs/dbraw/zinc/57/59/26/652575926.db2.gz HEIBLDFUJDJJEV-NSHDSACASA-N 1 0 376.504 1.269 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000841161138 655311397 /nfs/dbraw/zinc/31/13/97/655311397.db2.gz KFWGCRDOKDTWEX-LBPRGKRZSA-N 1 0 398.261 1.869 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841202758 655313834 /nfs/dbraw/zinc/31/38/34/655313834.db2.gz ZDIFSGQZGJVWID-DTWKUNHWSA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841225122 655315551 /nfs/dbraw/zinc/31/55/51/655315551.db2.gz RHDZETMLNVRVCO-VHSXEESVSA-N 1 0 399.245 1.990 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000842482439 655367414 /nfs/dbraw/zinc/36/74/14/655367414.db2.gz WASXMOFCCIGRDG-SNVBAGLBSA-N 1 0 394.247 1.014 20 5 GDBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000848024542 655480528 /nfs/dbraw/zinc/48/05/28/655480528.db2.gz HJCWIPHOPXAAKW-JTQLQIEISA-N 1 0 389.250 1.575 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000848474581 655493629 /nfs/dbraw/zinc/49/36/29/655493629.db2.gz HKEPFFRCRBKMQX-JGZJWPJOSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000858631616 655751470 /nfs/dbraw/zinc/75/14/70/655751470.db2.gz GPPJWSQIVQXPBO-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C1OC[C@@]2(C[NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)COCCN12 ZINC000872261429 656321935 /nfs/dbraw/zinc/32/19/35/656321935.db2.gz PYVSVEZNKXOTEE-GFCCVEGCSA-N 1 0 392.231 1.730 20 5 GDBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900802793 659146933 /nfs/dbraw/zinc/14/69/33/659146933.db2.gz HJQJWSFAUXVSDS-GWCFXTLKSA-N 1 0 385.262 1.721 20 5 GDBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908074489 659865258 /nfs/dbraw/zinc/86/52/58/659865258.db2.gz ZLWVDFRSYRFTJB-QFYYESIMSA-N 1 0 398.257 1.697 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744373 720611709 /nfs/dbraw/zinc/61/17/09/720611709.db2.gz RUKMKRQDGAKJQK-WDEREUQCSA-N 1 0 377.792 1.170 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764026 721133235 /nfs/dbraw/zinc/13/32/35/721133235.db2.gz GPXRIXBWGLUCEJ-CABCVRRESA-N 1 0 387.444 1.394 20 5 GDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C1 ZINC001164868528 721270222 /nfs/dbraw/zinc/27/02/22/721270222.db2.gz APTQQZGBQYTUTN-UHFFFAOYSA-N 1 0 395.435 1.136 20 5 GDBDRO Cc1c(C)c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncc1[N+](=O)[O-] ZINC001164799208 721515182 /nfs/dbraw/zinc/51/51/82/721515182.db2.gz YSYPYZJXISCFCV-UHFFFAOYSA-N 1 0 385.472 1.571 20 5 GDBDRO Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971158 722151937 /nfs/dbraw/zinc/15/19/37/722151937.db2.gz AXDHXKVHINMGRE-FUHWJXTLSA-N 1 0 384.440 1.816 20 5 GDBDRO C[NH+](C)CCOC1CC[NH+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001598234366 990952593 /nfs/dbraw/zinc/95/25/93/990952593.db2.gz VIGDIOFCSHXGAN-UHFFFAOYSA-N 1 0 381.429 1.601 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186333967 530855533 /nfs/dbraw/zinc/85/55/33/530855533.db2.gz FFFJPTKOYIRDRM-UHFFFAOYSA-N 1 0 375.422 1.897 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000186551920 530858413 /nfs/dbraw/zinc/85/84/13/530858413.db2.gz WNEAVDHGXOMLMA-LLVKDONJSA-N 1 0 375.422 1.753 20 5 GDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000104747811 530840198 /nfs/dbraw/zinc/84/01/98/530840198.db2.gz PWGNDWASRWIGPG-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237724712 531049193 /nfs/dbraw/zinc/04/91/93/531049193.db2.gz LDTUHEKLCOFGQY-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000237803160 531050422 /nfs/dbraw/zinc/05/04/22/531050422.db2.gz XUGUYFCONJBSBP-QMMMGPOBSA-N 1 0 375.166 1.681 20 5 GDBDRO CN(C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000136469943 531114744 /nfs/dbraw/zinc/11/47/44/531114744.db2.gz WNDRUGYPAUXJEK-ZDUSSCGKSA-N 1 0 389.861 1.439 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262751724 531129143 /nfs/dbraw/zinc/12/91/43/531129143.db2.gz GRAZAUCTMWGTTG-PELKAZGASA-N 1 0 392.275 1.942 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262779546 531130218 /nfs/dbraw/zinc/13/02/18/531130218.db2.gz YNPLRMHGDMXRFO-UHFFFAOYSA-N 1 0 378.248 1.696 20 5 GDBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCS1 ZINC000264204069 531173333 /nfs/dbraw/zinc/17/33/33/531173333.db2.gz JXIYHXJFLFSNMW-GFCCVEGCSA-N 1 0 388.515 1.376 20 5 GDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000155002514 531193587 /nfs/dbraw/zinc/19/35/87/531193587.db2.gz WOCFHCOBQBQZCV-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOCC1 ZINC000290339012 531225052 /nfs/dbraw/zinc/22/50/52/531225052.db2.gz BIBOVEXPTZWOFA-UHFFFAOYSA-N 1 0 395.840 1.776 20 5 GDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290702423 531251033 /nfs/dbraw/zinc/25/10/33/531251033.db2.gz GBADBMAGYDPOPN-LLVKDONJSA-N 1 0 399.245 1.896 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290828264 531259466 /nfs/dbraw/zinc/25/94/66/531259466.db2.gz PGDXDVOGTPAVTD-JTQLQIEISA-N 1 0 399.245 1.706 20 5 GDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440425358 531338665 /nfs/dbraw/zinc/33/86/65/531338665.db2.gz HUWTZVLMDPZOKQ-KCJUWKMLSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440425360 531338680 /nfs/dbraw/zinc/33/86/80/531338680.db2.gz HUWTZVLMDPZOKQ-LDYMZIIASA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC2=CC[NH2+]CC2)c1 ZINC000440844714 531348160 /nfs/dbraw/zinc/34/81/60/531348160.db2.gz NODMRTJADJZBED-UHFFFAOYSA-N 1 0 376.232 1.555 20 5 GDBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCSC1 ZINC000267218553 531412581 /nfs/dbraw/zinc/41/25/81/531412581.db2.gz UEKYNSYCEQTYNJ-CYBMUJFWSA-N 1 0 379.891 1.964 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415298601 531472639 /nfs/dbraw/zinc/47/26/39/531472639.db2.gz GVOZKHSDVLTYJI-JTQLQIEISA-N 1 0 385.218 1.472 20 5 GDBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415485887 531489828 /nfs/dbraw/zinc/48/98/28/531489828.db2.gz RADRROMBIPSYMQ-UHFFFAOYSA-N 1 0 387.234 1.739 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415539387 531492913 /nfs/dbraw/zinc/49/29/13/531492913.db2.gz JQDHVIKGANJLJS-BDAKNGLRSA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415684083 531513721 /nfs/dbraw/zinc/51/37/21/531513721.db2.gz DQVFVRSABRCJJI-OAHLLOKOSA-N 1 0 399.245 1.802 20 5 GDBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556526072 531497732 /nfs/dbraw/zinc/49/77/32/531497732.db2.gz MQHKNVXTQXMPIA-GFCCVEGCSA-N 1 0 399.245 1.848 20 5 GDBDRO COc1ccc(Br)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581879558 531521892 /nfs/dbraw/zinc/52/18/92/531521892.db2.gz OUUGJGIOIMMVRE-ZDUSSCGKSA-N 1 0 385.218 1.713 20 5 GDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1ccccc1Br ZINC000295330729 531562694 /nfs/dbraw/zinc/56/26/94/531562694.db2.gz MUGWOCCPJPECQL-SWLSCSKDSA-N 1 0 399.245 1.580 20 5 GDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416507749 531654268 /nfs/dbraw/zinc/65/42/68/531654268.db2.gz LYGYFAOYAXVAAV-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590551095 531690467 /nfs/dbraw/zinc/69/04/67/531690467.db2.gz WKNPZLODMCAWFO-KGLIPLIRSA-N 1 0 398.257 1.567 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000591681462 531734533 /nfs/dbraw/zinc/73/45/33/531734533.db2.gz OIVNJRLJXVYKNL-MRVPVSSYSA-N 1 0 375.166 1.600 20 5 GDBDRO Cc1c(Br)c(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ncc1[N+](=O)[O-] ZINC000591986866 531746840 /nfs/dbraw/zinc/74/68/40/531746840.db2.gz XKXUAPXHPYXUGO-SNVBAGLBSA-N 1 0 386.250 1.617 20 5 GDBDRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000269768379 531748299 /nfs/dbraw/zinc/74/82/99/531748299.db2.gz FCEMSZNOCLMQQA-UHFFFAOYSA-N 1 0 391.877 1.762 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000592386830 531783281 /nfs/dbraw/zinc/78/32/81/531783281.db2.gz BGKPPXWRRGJJLN-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000298246579 531868178 /nfs/dbraw/zinc/86/81/78/531868178.db2.gz CYNINNMLERYQFX-RBSFLKMASA-N 1 0 389.499 1.372 20 5 GDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595253383 531872805 /nfs/dbraw/zinc/87/28/05/531872805.db2.gz UWMRSNNTJIDNCF-UHFFFAOYSA-N 1 0 383.202 1.164 20 5 GDBDRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000298313518 531875335 /nfs/dbraw/zinc/87/53/35/531875335.db2.gz HZBQZDVGXXATAK-ZNMIVQPWSA-N 1 0 389.499 1.372 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000368429163 531911756 /nfs/dbraw/zinc/91/17/56/531911756.db2.gz LOZXUTSTCCSMLM-ZJUUUORDSA-N 1 0 390.259 1.872 20 5 GDBDRO CS[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000596197611 531912348 /nfs/dbraw/zinc/91/23/48/531912348.db2.gz SMILZQFVFPFDBK-ZIAGYGMSSA-N 1 0 386.499 1.258 20 5 GDBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc(C(F)(F)F)c1 ZINC000573438166 531985300 /nfs/dbraw/zinc/98/53/00/531985300.db2.gz CMVOTBJUOFZDGF-UHFFFAOYSA-N 1 0 382.360 1.643 20 5 GDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000599085986 532003737 /nfs/dbraw/zinc/00/37/37/532003737.db2.gz GPUTXYQAOOLNHU-LBPRGKRZSA-N 1 0 388.515 1.546 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599105863 532006042 /nfs/dbraw/zinc/00/60/42/532006042.db2.gz FOESEHVXFDCZAS-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420447644 532014756 /nfs/dbraw/zinc/01/47/56/532014756.db2.gz JYFVBGGTBPWOOZ-WPRPVWTQSA-N 1 0 378.248 1.763 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000322172226 532069520 /nfs/dbraw/zinc/06/95/20/532069520.db2.gz NMTJNGWZCFZMMD-MNOVXSKESA-N 1 0 384.230 1.950 20 5 GDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000272080106 532075901 /nfs/dbraw/zinc/07/59/01/532075901.db2.gz ARINEZLHRCAOLA-CQSZACIVSA-N 1 0 377.463 1.758 20 5 GDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000285405015 532079986 /nfs/dbraw/zinc/07/99/86/532079986.db2.gz YAJQIKZWYXJKFD-KBPBESRZSA-N 1 0 384.230 1.902 20 5 GDBDRO CCn1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c([N+](=O)[O-])n1 ZINC000331603545 532151845 /nfs/dbraw/zinc/15/18/45/532151845.db2.gz PIQPPEYGBGVRGK-NEPJUHHUSA-N 1 0 389.503 1.012 20 5 GDBDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000375327791 532160375 /nfs/dbraw/zinc/16/03/75/532160375.db2.gz QWOMJIGDEYXFNX-AOOOYVTPSA-N 1 0 397.229 1.316 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427923981 532193757 /nfs/dbraw/zinc/19/37/57/532193757.db2.gz IHHPHJYKJDVRCP-TVQRCGJNSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000427937732 532194636 /nfs/dbraw/zinc/19/46/36/532194636.db2.gz KFUHIRGGUNUBPT-CABZTGNLSA-N 1 0 390.259 1.730 20 5 GDBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289453475 532325110 /nfs/dbraw/zinc/32/51/10/532325110.db2.gz VCBFTCPAQJNNKT-PELKAZGASA-N 1 0 389.193 1.814 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826499219 607451033 /nfs/dbraw/zinc/45/10/33/607451033.db2.gz ZZAGDLCJIALKSH-UHFFFAOYSA-N 1 0 395.423 1.976 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000823639564 606927339 /nfs/dbraw/zinc/92/73/39/606927339.db2.gz DRNUVSPSHRTFNZ-HOCLYGCPSA-N 1 0 396.411 1.390 20 5 GDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823639715 607129351 /nfs/dbraw/zinc/12/93/51/607129351.db2.gz FYXNXJHKTCLTNA-IRXDYDNUSA-N 1 0 387.444 1.955 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000826496643 607849232 /nfs/dbraw/zinc/84/92/32/607849232.db2.gz CMMIOUNARYBFBQ-CYBMUJFWSA-N 1 0 388.432 1.251 20 5 GDBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825258340 608303065 /nfs/dbraw/zinc/30/30/65/608303065.db2.gz AKLITFHEIVYRQH-LBPRGKRZSA-N 1 0 376.421 1.107 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)nc1 ZINC000826498741 608652933 /nfs/dbraw/zinc/65/29/33/608652933.db2.gz HZYXEXSNXIONGN-GFCCVEGCSA-N 1 0 384.375 1.995 20 5 GDBDRO Cn1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361869 609343227 /nfs/dbraw/zinc/34/32/27/609343227.db2.gz SRWGUPPUZQUEOF-UHFFFAOYSA-N 1 0 394.399 1.162 20 5 GDBDRO NS(=O)(=O)c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000568117791 650937728 /nfs/dbraw/zinc/93/77/28/650937728.db2.gz LMLVGMOXXXYDPE-UHFFFAOYSA-N 1 0 384.439 1.422 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1Br ZINC000193384996 645050308 /nfs/dbraw/zinc/05/03/08/645050308.db2.gz WVMSWNLEYPRYNK-UHFFFAOYSA-N 1 0 376.232 1.555 20 5 GDBDRO COCC1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261936422 645119402 /nfs/dbraw/zinc/11/94/02/645119402.db2.gz DHPWRQCVEKRNGT-UHFFFAOYSA-N 1 0 377.850 1.543 20 5 GDBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262481546 645132022 /nfs/dbraw/zinc/13/20/22/645132022.db2.gz RPRPINHEGWIUGR-MRVPVSSYSA-N 1 0 377.182 1.927 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000420474074 645943698 /nfs/dbraw/zinc/94/36/98/645943698.db2.gz FBKLEQXDJGFEFU-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467423793 647643268 /nfs/dbraw/zinc/64/32/68/647643268.db2.gz OXIKVSCLTDTDBC-UHFFFAOYSA-N 1 0 379.504 1.944 20 5 GDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Br)cc1 ZINC000518965483 648615797 /nfs/dbraw/zinc/61/57/97/648615797.db2.gz OKWMWBWPOCHNTC-FZMZJTMJSA-N 1 0 399.245 1.972 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH2+]CC2)c(Br)c1 ZINC000577492203 651732246 /nfs/dbraw/zinc/73/22/46/651732246.db2.gz HPUNIQCQTKDTMB-UHFFFAOYSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Br ZINC000582780597 652015013 /nfs/dbraw/zinc/01/50/13/652015013.db2.gz XUFGUMQKFAMHGY-DGCLKSJQSA-N 1 0 399.245 1.972 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000589926727 652121315 /nfs/dbraw/zinc/12/13/15/652121315.db2.gz ZCXSSWSOCUUDJG-ZANVPECISA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000589926719 652121402 /nfs/dbraw/zinc/12/14/02/652121402.db2.gz ZCXSSWSOCUUDJG-NOZJJQNGSA-N 1 0 390.259 1.682 20 5 GDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591292184 652158881 /nfs/dbraw/zinc/15/88/81/652158881.db2.gz FQCXXFALNVLOBW-JTQLQIEISA-N 1 0 385.218 1.554 20 5 GDBDRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000594919430 652386924 /nfs/dbraw/zinc/38/69/24/652386924.db2.gz ZUWHOHZPVGBNPZ-UHFFFAOYSA-N 1 0 385.467 1.871 20 5 GDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595118099 652394004 /nfs/dbraw/zinc/39/40/04/652394004.db2.gz SCNFPCCHIGZBBT-UHFFFAOYSA-N 1 0 376.232 1.469 20 5 GDBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000595982229 652431381 /nfs/dbraw/zinc/43/13/81/652431381.db2.gz BWSNJNJJAGGJTB-ZETCQYMHSA-N 1 0 377.182 1.846 20 5 GDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600092072 652527332 /nfs/dbraw/zinc/52/73/32/652527332.db2.gz NDHDHZXXCDGGFM-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000601423609 652579392 /nfs/dbraw/zinc/57/93/92/652579392.db2.gz DSMKEFGJZFDCDD-UHFFFAOYSA-N 1 0 378.248 1.539 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000602493181 652639945 /nfs/dbraw/zinc/63/99/45/652639945.db2.gz ORXVEXDAVRVTKD-LLVKDONJSA-N 1 0 383.246 1.477 20 5 GDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602569562 652641828 /nfs/dbraw/zinc/64/18/28/652641828.db2.gz ANDMHJPLQILRQJ-WRWORJQWSA-N 1 0 375.166 1.680 20 5 GDBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839073 654435072 /nfs/dbraw/zinc/43/50/72/654435072.db2.gz MSNVZKSQFVJHCI-UHFFFAOYSA-N 1 0 393.487 1.550 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000782482959 654833007 /nfs/dbraw/zinc/83/30/07/654833007.db2.gz NEXXYGBRYFOCCM-NEPJUHHUSA-N 1 0 377.513 1.857 20 5 GDBDRO O=C1NC(=O)C2(CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)N1 ZINC000761217578 655137947 /nfs/dbraw/zinc/13/79/47/655137947.db2.gz VTYRIQLXLVQFRP-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)[C@H]2C1 ZINC000813738246 655244109 /nfs/dbraw/zinc/24/41/09/655244109.db2.gz DYJDHTWPIYYXGR-SKDRFNHKSA-N 1 0 390.259 1.682 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000841143007 655310181 /nfs/dbraw/zinc/31/01/81/655310181.db2.gz VZAZRWQXBQXELV-UHFFFAOYSA-N 1 0 385.218 1.554 20 5 GDBDRO C[NH2+]CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841235350 655316287 /nfs/dbraw/zinc/31/62/87/655316287.db2.gz YDMVTHWLPUIOTF-UHFFFAOYSA-N 1 0 378.170 1.883 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841248882 655317315 /nfs/dbraw/zinc/31/73/15/655317315.db2.gz HXWHRXYNZGALDR-BXKDBHETSA-N 1 0 397.229 1.506 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000842481513 655367203 /nfs/dbraw/zinc/36/72/03/655367203.db2.gz JZEIBPPYYITKSS-SNVBAGLBSA-N 1 0 394.247 1.014 20 5 GDBDRO CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]CC1 ZINC000842482310 655367431 /nfs/dbraw/zinc/36/74/31/655367431.db2.gz ZWSAWSNIDHGCRC-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)c(C)c1[N+](=O)[O-] ZINC000842484282 655367837 /nfs/dbraw/zinc/36/78/37/655367837.db2.gz ZPXLBADPNAHVEZ-MRVPVSSYSA-N 1 0 382.345 1.381 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H]1C[NH3+] ZINC000842486137 655368289 /nfs/dbraw/zinc/36/82/89/655368289.db2.gz STCLTLYBKUDBBT-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000842720580 655373414 /nfs/dbraw/zinc/37/34/14/655373414.db2.gz XSTRMQRHTQEJMW-LDYMZIIASA-N 1 0 378.248 1.715 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842775140 655376344 /nfs/dbraw/zinc/37/63/44/655376344.db2.gz BIGQHEWBDPKNQZ-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842788615 655377030 /nfs/dbraw/zinc/37/70/30/655377030.db2.gz IOHPEEHKMULNPK-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842869303 655381646 /nfs/dbraw/zinc/38/16/46/655381646.db2.gz JAJQZRMVHUPJPJ-NSHDSACASA-N 1 0 378.248 1.715 20 5 GDBDRO CN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000819180915 655387695 /nfs/dbraw/zinc/38/76/95/655387695.db2.gz YFOXUHLGCRIBEX-AWEZNQCLSA-N 1 0 385.467 1.600 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843111182 655388613 /nfs/dbraw/zinc/38/86/13/655388613.db2.gz DRESJHSXBYYYKK-KBPBESRZSA-N 1 0 385.218 1.238 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843112246 655388823 /nfs/dbraw/zinc/38/88/23/655388823.db2.gz DRESJHSXBYYYKK-ZIAGYGMSSA-N 1 0 385.218 1.238 20 5 GDBDRO CC[NH+](CC)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000827740030 655515772 /nfs/dbraw/zinc/51/57/72/655515772.db2.gz UNFBKZGKCRFZLL-AWEZNQCLSA-N 1 0 377.507 1.179 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[NH2+]1 ZINC000858631903 655751458 /nfs/dbraw/zinc/75/14/58/655751458.db2.gz JQMMVHSIEXXEAS-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000870967242 656259261 /nfs/dbraw/zinc/25/92/61/656259261.db2.gz NQDFWXBFDJBJEJ-OCAPTIKFSA-N 1 0 375.166 1.667 20 5 GDBDRO C[C@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@@]1(C)C(=O)NC2=O ZINC000931382375 657096009 /nfs/dbraw/zinc/09/60/09/657096009.db2.gz JUJYRILNYXPPKX-GASCZTMLSA-N 1 0 382.214 1.842 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC000892467002 658328640 /nfs/dbraw/zinc/32/86/40/658328640.db2.gz CVGRZRYQDFRFHU-LBPRGKRZSA-N 1 0 394.273 1.985 20 5 GDBDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000895324263 658686350 /nfs/dbraw/zinc/68/63/50/658686350.db2.gz PBJIMYBZVJRBCX-LLVKDONJSA-N 1 0 389.193 1.814 20 5 GDBDRO CN(CC(=O)NC12CC[NH+](CC1)C2)c1cc(Br)ccc1[N+](=O)[O-] ZINC000913634543 660090598 /nfs/dbraw/zinc/09/05/98/660090598.db2.gz TXAHEQUXFKLQQZ-UHFFFAOYSA-N 1 0 383.246 1.758 20 5 GDBDRO O=C1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC2(CC[NH2+]CC2)N1 ZINC001164388287 718808910 /nfs/dbraw/zinc/80/89/10/718808910.db2.gz BDKXTKJFJLLFEW-UHFFFAOYSA-N 1 0 375.763 1.247 20 5 GDBDRO COc1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)nc(OC)c1[N+](=O)[O-] ZINC001164684772 719620625 /nfs/dbraw/zinc/62/06/25/719620625.db2.gz XOUHVGPKAVIBRL-UHFFFAOYSA-N 1 0 391.432 1.074 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)CC[C@H]2C1 ZINC001164853292 720851047 /nfs/dbraw/zinc/85/10/47/720851047.db2.gz OBKYLKFEVFERMI-KBXCAEBGSA-N 1 0 387.440 1.712 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]2C1 ZINC001164852958 720886557 /nfs/dbraw/zinc/88/65/57/720886557.db2.gz ARIRMEZZKXYNEX-RHSMWYFYSA-N 1 0 387.440 1.712 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc(F)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164887173 721393245 /nfs/dbraw/zinc/39/32/45/721393245.db2.gz HGKZSLNWLIQWDS-VQIMIIECSA-N 1 0 393.463 1.894 20 5 GDBDRO Cc1nc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1[N+](=O)[O-] ZINC001165009570 721729700 /nfs/dbraw/zinc/72/97/00/721729700.db2.gz YMMOAFOCEWTHQA-UHFFFAOYSA-N 1 0 396.879 1.870 20 5 GDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164924103 721853890 /nfs/dbraw/zinc/85/38/90/721853890.db2.gz CBJIVSZSHUVJGT-MNOVXSKESA-N 1 0 398.851 1.039 20 5 GDBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000158573345 530534239 /nfs/dbraw/zinc/53/42/39/530534239.db2.gz PSDQDYGOTSYOCO-QMMMGPOBSA-N 1 0 375.166 1.763 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000159680953 530545089 /nfs/dbraw/zinc/54/50/89/530545089.db2.gz JLPNLQJXWKIHLX-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO C[C@@H](O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000186802320 530863006 /nfs/dbraw/zinc/86/30/06/530863006.db2.gz YYTLKGPRSRRUCK-LLVKDONJSA-N 1 0 386.246 1.425 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCN(CCO)CC1 ZINC000110541423 530868112 /nfs/dbraw/zinc/86/81/12/530868112.db2.gz RXXGEFCXIZHESQ-UHFFFAOYSA-N 1 0 379.385 1.096 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189120212 530908183 /nfs/dbraw/zinc/90/81/83/530908183.db2.gz DAZWECGGIUSHBK-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123245544 530981871 /nfs/dbraw/zinc/98/18/71/530981871.db2.gz BBAFZGAHTQGPIV-VXGBXAGGSA-N 1 0 378.248 1.906 20 5 GDBDRO Cc1sc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000124648116 530998421 /nfs/dbraw/zinc/99/84/21/530998421.db2.gz OUOBKYWZJCXVDK-NSHDSACASA-N 1 0 376.504 1.127 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000194730226 531008373 /nfs/dbraw/zinc/00/83/73/531008373.db2.gz RZSRCJLDCGHPGA-NSHDSACASA-N 1 0 378.248 1.681 20 5 GDBDRO [NH3+]CC1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000238037038 531054127 /nfs/dbraw/zinc/05/41/27/531054127.db2.gz VZHALCMDRKGNLE-UHFFFAOYSA-N 1 0 378.248 1.717 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000132966726 531086153 /nfs/dbraw/zinc/08/61/53/531086153.db2.gz SCELWVXIMSASMS-LBPRGKRZSA-N 1 0 379.198 1.924 20 5 GDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261949451 531103829 /nfs/dbraw/zinc/10/38/29/531103829.db2.gz WCNXZSSIJRUSAR-ZDUSSCGKSA-N 1 0 383.246 1.477 20 5 GDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290775620 531255906 /nfs/dbraw/zinc/25/59/06/531255906.db2.gz LJMFJJSCLGKUFT-JTQLQIEISA-N 1 0 385.218 1.506 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267183377 531408227 /nfs/dbraw/zinc/40/82/27/531408227.db2.gz YAWSXAGSLPGMIY-CQSZACIVSA-N 1 0 375.472 1.319 20 5 GDBDRO COc1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000268247083 531488156 /nfs/dbraw/zinc/48/81/56/531488156.db2.gz JAIYPXVBGJGEPW-AWEZNQCLSA-N 1 0 375.472 1.319 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415671601 531512613 /nfs/dbraw/zinc/51/26/13/531512613.db2.gz JGYUBAWVQIAUBX-ONGXEEELSA-N 1 0 399.245 1.861 20 5 GDBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556563426 531499169 /nfs/dbraw/zinc/49/91/69/531499169.db2.gz JNSSEPHFSYLXGQ-UHFFFAOYSA-N 1 0 387.234 1.752 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415624746 531504307 /nfs/dbraw/zinc/50/43/07/531504307.db2.gz MVZKXPSEYCLHSS-LLVKDONJSA-N 1 0 399.245 1.863 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415624796 531504960 /nfs/dbraw/zinc/50/49/60/531504960.db2.gz OLJWTJOMFGKVEH-PRHODGIISA-N 1 0 399.245 1.718 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415831063 531539478 /nfs/dbraw/zinc/53/94/78/531539478.db2.gz HAIJNRRTAGXQIJ-ONGXEEELSA-N 1 0 399.245 1.848 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000491222851 531550570 /nfs/dbraw/zinc/55/05/70/531550570.db2.gz KBIVOYYTUKXQGA-NSHDSACASA-N 1 0 375.422 1.895 20 5 GDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1ccccc1Br ZINC000295330726 531562442 /nfs/dbraw/zinc/56/24/42/531562442.db2.gz MUGWOCCPJPECQL-IUODEOHRSA-N 1 0 399.245 1.580 20 5 GDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1Br ZINC000295346667 531563473 /nfs/dbraw/zinc/56/34/73/531563473.db2.gz DYOLJMBLHRKUDE-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000281050329 531572380 /nfs/dbraw/zinc/57/23/80/531572380.db2.gz JEKSCALLNDAOCU-QMMMGPOBSA-N 1 0 387.234 1.671 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000269499763 531683357 /nfs/dbraw/zinc/68/33/57/531683357.db2.gz WLXGDRAILLSZFZ-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000593235753 531824313 /nfs/dbraw/zinc/82/43/13/531824313.db2.gz XZRJNXCOGRGNGG-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000595830405 531890525 /nfs/dbraw/zinc/89/05/25/531890525.db2.gz UVCSKGQNGLLVNN-MFKMUULPSA-N 1 0 375.212 1.782 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000599102993 532006520 /nfs/dbraw/zinc/00/65/20/532006520.db2.gz RWHKPEAPIMTBMA-BDAKNGLRSA-N 1 0 385.339 1.882 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420447642 532014365 /nfs/dbraw/zinc/01/43/65/532014365.db2.gz JYFVBGGTBPWOOZ-WCBMZHEXSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000420451540 532015649 /nfs/dbraw/zinc/01/56/49/532015649.db2.gz QWQKAFRMJRPZTC-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000420464052 532018612 /nfs/dbraw/zinc/01/86/12/532018612.db2.gz OSLBGHLROLQABT-MRVPVSSYSA-N 1 0 388.190 1.618 20 5 GDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000285716901 532107942 /nfs/dbraw/zinc/10/79/42/532107942.db2.gz JPFKDGRQHVJYRN-UONOGXRCSA-N 1 0 384.230 1.902 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273086260 532132815 /nfs/dbraw/zinc/13/28/15/532132815.db2.gz IMKRYQREIXFCMD-KBPBESRZSA-N 1 0 385.218 1.238 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Br)c1 ZINC000427937734 532194804 /nfs/dbraw/zinc/19/48/04/532194804.db2.gz KFUHIRGGUNUBPT-SKDRFNHKSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000428038480 532196535 /nfs/dbraw/zinc/19/65/35/532196535.db2.gz OBRMQCCGSIXDBS-ZWNOBZJWSA-N 1 0 383.246 1.980 20 5 GDBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000275289680 532283703 /nfs/dbraw/zinc/28/37/03/532283703.db2.gz GJTQAYGQPJHCLC-GFCCVEGCSA-N 1 0 390.483 1.171 20 5 GDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275475634 532296987 /nfs/dbraw/zinc/29/69/87/532296987.db2.gz OVHIYCGZNWGHOD-UONOGXRCSA-N 1 0 386.499 1.258 20 5 GDBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000738366580 598251903 /nfs/dbraw/zinc/25/19/03/598251903.db2.gz FJHGPOSARCMGHN-UHFFFAOYSA-N 1 0 395.423 1.976 20 5 GDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000822229393 606485084 /nfs/dbraw/zinc/48/50/84/606485084.db2.gz TYECYQPQXKZBRV-NEPJUHHUSA-N 1 0 383.416 1.672 20 5 GDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821614736 606713469 /nfs/dbraw/zinc/71/34/69/606713469.db2.gz SLDUATRNFMNVTQ-AWEZNQCLSA-N 1 0 380.412 1.881 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000826496644 607849124 /nfs/dbraw/zinc/84/91/24/607849124.db2.gz CMMIOUNARYBFBQ-ZDUSSCGKSA-N 1 0 388.432 1.251 20 5 GDBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553149170 650638923 /nfs/dbraw/zinc/63/89/23/650638923.db2.gz YWXNYBYYEZRGGD-QMMMGPOBSA-N 1 0 378.443 1.689 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH3+] ZINC000567669103 650913984 /nfs/dbraw/zinc/91/39/84/650913984.db2.gz IBIIDXPFYUOSCM-UHFFFAOYSA-N 1 0 377.182 1.975 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000568087758 650936783 /nfs/dbraw/zinc/93/67/83/650936783.db2.gz SVMUZIBFGWRROU-LLVKDONJSA-N 1 0 389.861 1.624 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000123414065 644695993 /nfs/dbraw/zinc/69/59/93/644695993.db2.gz GKTCLAPUSYXFJZ-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193403757 645050241 /nfs/dbraw/zinc/05/02/41/645050241.db2.gz UMKJBHHGYJFFLM-LDYMZIIASA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000261765345 645116716 /nfs/dbraw/zinc/11/67/16/645116716.db2.gz ROLUDTYKGNBKSJ-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000262767964 645137634 /nfs/dbraw/zinc/13/76/34/645137634.db2.gz LGUWAYXBZFWIDO-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330599413 645381309 /nfs/dbraw/zinc/38/13/09/645381309.db2.gz XLRWJUBAMAMCRL-VXGBXAGGSA-N 1 0 379.891 1.914 20 5 GDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446049614 647278624 /nfs/dbraw/zinc/27/86/24/647278624.db2.gz CVYGOUDRJRGGOQ-LBPRGKRZSA-N 1 0 386.246 1.737 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462490806 647530465 /nfs/dbraw/zinc/53/04/65/647530465.db2.gz PDISHWFHHNTTFC-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000515082697 648480433 /nfs/dbraw/zinc/48/04/33/648480433.db2.gz QBVNEEWZWAVTJR-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH3+] ZINC000517933476 648582412 /nfs/dbraw/zinc/58/24/12/648582412.db2.gz IFGRDVUQZKNIEI-ZETCQYMHSA-N 1 0 377.182 1.832 20 5 GDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Br)cc1 ZINC000518965482 648615910 /nfs/dbraw/zinc/61/59/10/648615910.db2.gz OKWMWBWPOCHNTC-BXUZGUMPSA-N 1 0 399.245 1.972 20 5 GDBDRO CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000571571248 651079630 /nfs/dbraw/zinc/07/96/30/651079630.db2.gz LKVNSNSWFBYKII-UHFFFAOYSA-N 1 0 377.463 1.840 20 5 GDBDRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000591303039 652160294 /nfs/dbraw/zinc/16/02/94/652160294.db2.gz HGWVGQGNLGCMNI-UHFFFAOYSA-N 1 0 385.218 1.636 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592376156 652184526 /nfs/dbraw/zinc/18/45/26/652184526.db2.gz ZFFZZNDGZVPSAX-LDYMZIIASA-N 1 0 383.348 1.350 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000592380359 652185107 /nfs/dbraw/zinc/18/51/07/652185107.db2.gz SOHDIYDRIASYJO-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593920055 652262020 /nfs/dbraw/zinc/26/20/20/652262020.db2.gz JUGPZWSNVWBNBY-SCZZXKLOSA-N 1 0 378.248 1.858 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799649 652366939 /nfs/dbraw/zinc/36/69/39/652366939.db2.gz OGZWTWONSSYVLI-SNVBAGLBSA-N 1 0 375.422 1.894 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595404938 652417738 /nfs/dbraw/zinc/41/77/38/652417738.db2.gz OZWJHZXJBRJZIV-ZDUSSCGKSA-N 1 0 391.877 1.980 20 5 GDBDRO Cc1c(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599785236 652514361 /nfs/dbraw/zinc/51/43/61/652514361.db2.gz LSXACIGJOZXKEP-LLVKDONJSA-N 1 0 387.234 1.854 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(F)c(Br)cc2F)c1 ZINC000600761084 652552202 /nfs/dbraw/zinc/55/22/02/652552202.db2.gz KJIKVMBNPCRKAW-SNVBAGLBSA-N 1 0 391.172 1.983 20 5 GDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C[C@H]1C[NH3+] ZINC000602595266 652642702 /nfs/dbraw/zinc/64/27/02/652642702.db2.gz VXGHIMYYYKUVOE-RKDXNWHRSA-N 1 0 389.193 1.866 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751000354 654867530 /nfs/dbraw/zinc/86/75/30/654867530.db2.gz YYDXPMBORMFUSK-NEPJUHHUSA-N 1 0 384.230 1.950 20 5 GDBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000832400987 655029963 /nfs/dbraw/zinc/02/99/63/655029963.db2.gz PRRCYGJDPGGFLI-VIFPVBQESA-N 1 0 380.264 1.894 20 5 GDBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810356880 655156198 /nfs/dbraw/zinc/15/61/98/655156198.db2.gz YVFLPGYIRPNFIK-SECBINFHSA-N 1 0 387.234 1.752 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000765172186 655232913 /nfs/dbraw/zinc/23/29/13/655232913.db2.gz UZYOGJXSJKIQKS-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)[C@@H]2C1 ZINC000813738243 655244022 /nfs/dbraw/zinc/24/40/22/655244022.db2.gz DYJDHTWPIYYXGR-BXKDBHETSA-N 1 0 390.259 1.682 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000813855215 655248072 /nfs/dbraw/zinc/24/80/72/655248072.db2.gz MOQRDZBOFJHRRC-UHFFFAOYSA-N 1 0 388.266 1.366 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839507391 655250193 /nfs/dbraw/zinc/25/01/93/655250193.db2.gz HYUIKAKFTRHZMB-UHFFFAOYSA-N 1 0 399.289 1.953 20 5 GDBDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597935 655300247 /nfs/dbraw/zinc/30/02/47/655300247.db2.gz JBMVYKTVNDUEBK-PWSUYJOCSA-N 1 0 385.467 1.724 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842479681 655366660 /nfs/dbraw/zinc/36/66/60/655366660.db2.gz CZCDSIWWGWCQTF-DTWKUNHWSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842480011 655366766 /nfs/dbraw/zinc/36/67/66/655366766.db2.gz MEJDSYPRGXFKFZ-IUCAKERBSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000842483843 655367705 /nfs/dbraw/zinc/36/77/05/655367705.db2.gz RRVBWZKARNANFO-MRVPVSSYSA-N 1 0 388.190 1.618 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC000842484934 655367959 /nfs/dbraw/zinc/36/79/59/655367959.db2.gz FTTDECNDYFBALU-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842763815 655375596 /nfs/dbraw/zinc/37/55/96/655375596.db2.gz IKWZQCWRGNSEPK-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000842763816 655375608 /nfs/dbraw/zinc/37/56/08/655375608.db2.gz IKWZQCWRGNSEPK-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO CN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000819180245 655387773 /nfs/dbraw/zinc/38/77/73/655387773.db2.gz PNXSXIBMIORVBG-AWEZNQCLSA-N 1 0 385.467 1.600 20 5 GDBDRO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C[NH3+])C1 ZINC000843357900 655393647 /nfs/dbraw/zinc/39/36/47/655393647.db2.gz SNCBTCAKLVGOKS-VIFPVBQESA-N 1 0 375.198 1.211 20 5 GDBDRO C[NH+](C)CCN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1=O ZINC000846011847 655444146 /nfs/dbraw/zinc/44/41/46/655444146.db2.gz QUDSLKKNIHXIBF-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000856099070 655707842 /nfs/dbraw/zinc/70/78/42/655707842.db2.gz YYBLLJAIDCDXFE-LLVKDONJSA-N 1 0 399.245 1.735 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000858616419 655750633 /nfs/dbraw/zinc/75/06/33/655750633.db2.gz QBRQNECWMIXBMX-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000858618738 655750760 /nfs/dbraw/zinc/75/07/60/655750760.db2.gz FPFQCMYCRSQFEF-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1Br ZINC000858620641 655750870 /nfs/dbraw/zinc/75/08/70/655750870.db2.gz XZSJIHBHEVLPPC-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO COCCN(CC1CC[NH+](C)CC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000865996123 655932433 /nfs/dbraw/zinc/93/24/33/655932433.db2.gz HWLQKMKXENVSPF-UHFFFAOYSA-N 1 0 391.515 1.854 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756845 658033416 /nfs/dbraw/zinc/03/34/16/658033416.db2.gz RCZZOZKVXSKLQB-STQMWFEESA-N 1 0 399.245 1.424 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164613978 719012235 /nfs/dbraw/zinc/01/22/35/719012235.db2.gz AYCFZVPOPOPCTM-ZHAHWJHGSA-N 1 0 390.774 1.918 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2 ZINC001164687609 719723969 /nfs/dbraw/zinc/72/39/69/719723969.db2.gz ZQBNVMNOXQQJIW-UHFFFAOYSA-N 1 0 383.836 1.062 20 5 GDBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164737536 720735585 /nfs/dbraw/zinc/73/55/85/720735585.db2.gz CGCHQVPYDJAVPY-QWHCGFSZSA-N 1 0 381.396 1.603 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nccc(Cl)c1[N+](=O)[O-])CC2 ZINC001164751390 720944969 /nfs/dbraw/zinc/94/49/69/720944969.db2.gz QXVHRFYNDNWMDA-UHFFFAOYSA-N 1 0 394.819 1.485 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164751437 720945117 /nfs/dbraw/zinc/94/51/17/720945117.db2.gz RUIPBPDCQCKKCT-UHFFFAOYSA-N 1 0 394.819 1.485 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868618 721061975 /nfs/dbraw/zinc/06/19/75/721061975.db2.gz OQRUTZLDWQBECQ-HZPDHXFCSA-N 1 0 385.424 1.873 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc([N+](=O)[O-])c4cc[nH]c4n2)CC3)CC1 ZINC001164797863 721516449 /nfs/dbraw/zinc/51/64/49/721516449.db2.gz PIZRWFPARPGUDC-UHFFFAOYSA-N 1 0 396.455 1.435 20 5 GDBDRO CCOc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ccc1[N+](=O)[O-] ZINC001165011485 721742748 /nfs/dbraw/zinc/74/27/48/721742748.db2.gz XUKPIVZSHGQZOX-UHFFFAOYSA-N 1 0 391.472 1.912 20 5 GDBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164926074 721856357 /nfs/dbraw/zinc/85/63/57/721856357.db2.gz HAONWXRSKNQFLF-ZJUUUORDSA-N 1 0 375.260 1.906 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000825935066 947379021 /nfs/dbraw/zinc/37/90/21/947379021.db2.gz TTZLSFHJEMLUMQ-UHFFFAOYSA-N 1 0 391.823 1.798 20 5 GDBDRO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001591622596 992890092 /nfs/dbraw/zinc/89/00/92/992890092.db2.gz GRBDEUOMPDRDOI-UHFFFAOYSA-N 1 0 381.429 1.383 20 5 GDBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000160802388 530555221 /nfs/dbraw/zinc/55/52/21/530555221.db2.gz KDTUYTFLZZTUAU-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000173456047 530630370 /nfs/dbraw/zinc/63/03/70/530630370.db2.gz HBHKJWTXSNZZSK-GFCCVEGCSA-N 1 0 390.893 1.410 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000178340167 530719511 /nfs/dbraw/zinc/71/95/11/530719511.db2.gz QHVIQMWCLPGBMQ-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000183653032 530818453 /nfs/dbraw/zinc/81/84/53/530818453.db2.gz CWUZBOLOFOISKG-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000186844379 530864122 /nfs/dbraw/zinc/86/41/22/530864122.db2.gz CBRVVSSZMNJQTC-PRHODGIISA-N 1 0 389.193 1.927 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000189114796 530908383 /nfs/dbraw/zinc/90/83/83/530908383.db2.gz QRTXNFYPVNRPSZ-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000193300049 530983802 /nfs/dbraw/zinc/98/38/02/530983802.db2.gz LVMHPOFAGKVERY-UHFFFAOYSA-N 1 0 375.422 1.753 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000122410097 530971046 /nfs/dbraw/zinc/97/10/46/530971046.db2.gz MHPNRJXHCNVIMB-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193414400 530985900 /nfs/dbraw/zinc/98/59/00/530985900.db2.gz VZAKUQHDEYTVOF-UFBFGSQYSA-N 1 0 392.275 1.942 20 5 GDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Br)c1 ZINC000125593741 531007703 /nfs/dbraw/zinc/00/77/03/531007703.db2.gz IACYBMAEQJFOGG-GJZGRUSLSA-N 1 0 399.245 1.580 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237724528 531049237 /nfs/dbraw/zinc/04/92/37/531049237.db2.gz XAUDCMZLYBTPCM-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000261755874 531097786 /nfs/dbraw/zinc/09/77/86/531097786.db2.gz FOHXOORPGYVNJC-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000261922379 531102856 /nfs/dbraw/zinc/10/28/56/531102856.db2.gz BUZJQFYSOVVGGZ-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262026153 531105643 /nfs/dbraw/zinc/10/56/43/531105643.db2.gz PAJAHFOWGOFUKF-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO COCC1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000262259807 531114357 /nfs/dbraw/zinc/11/43/57/531114357.db2.gz RBDLYRACFKLJAD-UHFFFAOYSA-N 1 0 391.877 1.851 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152664268 531154786 /nfs/dbraw/zinc/15/47/86/531154786.db2.gz RICQKMGQPSIJRX-GFCCVEGCSA-N 1 0 399.289 1.652 20 5 GDBDRO Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000153993306 531175771 /nfs/dbraw/zinc/17/57/71/531175771.db2.gz QGOSNSRAJRHQMB-UHFFFAOYSA-N 1 0 385.471 1.333 20 5 GDBDRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000264388272 531182002 /nfs/dbraw/zinc/18/20/02/531182002.db2.gz BUYVBNGFCUUJOL-UHFFFAOYSA-N 1 0 377.850 1.325 20 5 GDBDRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000265862810 531294339 /nfs/dbraw/zinc/29/43/39/531294339.db2.gz KIPKKAXWLSVNHP-UHFFFAOYSA-N 1 0 390.893 1.506 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440839583 531347629 /nfs/dbraw/zinc/34/76/29/531347629.db2.gz CKBGKFDYUGWJTN-KCJUWKMLSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440812489 531346691 /nfs/dbraw/zinc/34/66/91/531346691.db2.gz VRLPMCSJWNPFHB-QPUJVOFHSA-N 1 0 378.248 1.634 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000440842883 531347225 /nfs/dbraw/zinc/34/72/25/531347225.db2.gz GPHPBBHIIHZCDQ-CYBMUJFWSA-N 1 0 375.422 1.799 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447244157 531422232 /nfs/dbraw/zinc/42/22/32/531422232.db2.gz JMVWQPQZILIYLF-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415308686 531473376 /nfs/dbraw/zinc/47/33/76/531473376.db2.gz ZGNQQBFFPMOONR-SNVBAGLBSA-N 1 0 385.218 1.425 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2scnc2C2CC2)cc1 ZINC000486940372 531464977 /nfs/dbraw/zinc/46/49/77/531464977.db2.gz KHTBZCWAYAYOAI-UHFFFAOYSA-N 1 0 382.467 1.997 20 5 GDBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415486082 531490015 /nfs/dbraw/zinc/49/00/15/531490015.db2.gz JNJZFFXVXQKOFQ-UHFFFAOYSA-N 1 0 387.234 1.930 20 5 GDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)s1 ZINC000294727448 531494346 /nfs/dbraw/zinc/49/43/46/531494346.db2.gz GBLWEIAEHFZWRO-INIZCTEOSA-N 1 0 382.463 1.963 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415873890 531548007 /nfs/dbraw/zinc/54/80/07/531548007.db2.gz VQDIWVGAFKYLKS-ZJUUUORDSA-N 1 0 397.229 1.364 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590551097 531690080 /nfs/dbraw/zinc/69/00/80/531690080.db2.gz WKNPZLODMCAWFO-UONOGXRCSA-N 1 0 398.257 1.567 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]21 ZINC000451878802 531700868 /nfs/dbraw/zinc/70/08/68/531700868.db2.gz OJLMLYDUHZJQDM-SKDRFNHKSA-N 1 0 379.360 1.938 20 5 GDBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000591669031 531734190 /nfs/dbraw/zinc/73/41/90/531734190.db2.gz NPKPOFQSQBTKEO-JTQLQIEISA-N 1 0 375.166 1.763 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000591681134 531733693 /nfs/dbraw/zinc/73/36/93/531733693.db2.gz WFWBIQLUPWESTP-SECBINFHSA-N 1 0 389.193 1.942 20 5 GDBDRO COc1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000271027368 531956816 /nfs/dbraw/zinc/95/68/16/531956816.db2.gz GSAHYKXGFRECBH-GXTWGEPZSA-N 1 0 375.472 1.270 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598724549 531992659 /nfs/dbraw/zinc/99/26/59/531992659.db2.gz JWYAQUDAEQAGAL-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000599101852 532006292 /nfs/dbraw/zinc/00/62/92/532006292.db2.gz IULCMDOZHVAORW-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO CC(=O)N1CCN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602513236 532078626 /nfs/dbraw/zinc/07/86/26/532078626.db2.gz AVMAUGWCUBNLRL-UHFFFAOYSA-N 1 0 391.291 1.673 20 5 GDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000272080102 532075944 /nfs/dbraw/zinc/07/59/44/532075944.db2.gz ARINEZLHRCAOLA-AWEZNQCLSA-N 1 0 377.463 1.758 20 5 GDBDRO CC[NH+](CC)CCN(CCOC)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272784673 532114137 /nfs/dbraw/zinc/11/41/37/532114137.db2.gz BCQPGOXNKPCDNM-UHFFFAOYSA-N 1 0 379.504 1.854 20 5 GDBDRO C[C@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000286589881 532162580 /nfs/dbraw/zinc/16/25/80/532162580.db2.gz QQKJILOZHKCMQM-LSDHHAIUSA-N 1 0 399.245 1.412 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432292362 532283128 /nfs/dbraw/zinc/28/31/28/532283128.db2.gz UGNDZQDNQGLPLI-NSHDSACASA-N 1 0 377.488 1.744 20 5 GDBDRO CS[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275470281 532296860 /nfs/dbraw/zinc/29/68/60/532296860.db2.gz NXMYXFOIXJCLQW-KGLIPLIRSA-N 1 0 386.499 1.258 20 5 GDBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000288610279 532299280 /nfs/dbraw/zinc/29/92/80/532299280.db2.gz KWLAOOASOMYFOF-UHFFFAOYSA-N 1 0 392.909 1.752 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000738373439 599124629 /nfs/dbraw/zinc/12/46/29/599124629.db2.gz CTKKISWIMGSDLV-UHFFFAOYSA-N 1 0 383.416 1.184 20 5 GDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736860501 598427415 /nfs/dbraw/zinc/42/74/15/598427415.db2.gz RPFYYXVRAHFYHV-HNNXBMFYSA-N 1 0 386.460 1.381 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823644039 599520120 /nfs/dbraw/zinc/52/01/20/599520120.db2.gz DUSPBERTUKCNEI-ZDUSSCGKSA-N 1 0 380.412 1.998 20 5 GDBDRO C[C@@H](O)C[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000820480355 599530587 /nfs/dbraw/zinc/53/05/87/599530587.db2.gz KFQDFYCVVDCJFM-NWDGAFQWSA-N 1 0 398.427 1.214 20 5 GDBDRO C[NH+](C)CCOc1ccc(CCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821587306 606708281 /nfs/dbraw/zinc/70/82/81/606708281.db2.gz QFAHWLZRFRFTGP-UHFFFAOYSA-N 1 0 398.427 1.765 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000823639562 606927260 /nfs/dbraw/zinc/92/72/60/606927260.db2.gz DRNUVSPSHRTFNZ-GDBMZVCRSA-N 1 0 396.411 1.390 20 5 GDBDRO Cc1c(Br)c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000542505643 650406747 /nfs/dbraw/zinc/40/67/47/650406747.db2.gz KJYOUBSRYUZCSM-JTQLQIEISA-N 1 0 386.250 1.812 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CSC2(C)C)c([N+](=O)[O-])c1 ZINC000554891050 650682826 /nfs/dbraw/zinc/68/28/26/650682826.db2.gz GUNIZERPFUSTQO-CQSZACIVSA-N 1 0 388.515 1.741 20 5 GDBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000565802263 650815179 /nfs/dbraw/zinc/81/51/79/650815179.db2.gz CAZMRSJOMPDMFD-ZDUSSCGKSA-N 1 0 392.193 1.783 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000566224613 650836446 /nfs/dbraw/zinc/83/64/46/650836446.db2.gz VCVZQNNKZDLGAJ-LLVKDONJSA-N 1 0 389.861 1.624 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000059490621 644503619 /nfs/dbraw/zinc/50/36/19/644503619.db2.gz GDVYHKXIRFNGFQ-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193396370 645050456 /nfs/dbraw/zinc/05/04/56/645050456.db2.gz URCOJGNZZPAZQJ-SCZZXKLOSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1C ZINC000262767962 645137744 /nfs/dbraw/zinc/13/77/44/645137744.db2.gz LGUWAYXBZFWIDO-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1Br ZINC000452394101 647323034 /nfs/dbraw/zinc/32/30/34/647323034.db2.gz UGSBIHWEFLCPPN-GFCCVEGCSA-N 1 0 386.246 1.934 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501130327 648130632 /nfs/dbraw/zinc/13/06/32/648130632.db2.gz VBLXAVWEKPJQJS-ZDUSSCGKSA-N 1 0 386.250 1.725 20 5 GDBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000576581507 651673232 /nfs/dbraw/zinc/67/32/32/651673232.db2.gz KGUNRQDWCWNYMX-UHFFFAOYSA-N 1 0 377.182 1.847 20 5 GDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000579581529 651869165 /nfs/dbraw/zinc/86/91/65/651869165.db2.gz ALNJUDOANFOZTL-UHFFFAOYSA-N 1 0 387.177 1.849 20 5 GDBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000580645699 651931181 /nfs/dbraw/zinc/93/11/81/651931181.db2.gz SHNHTMLCEKULGI-UHFFFAOYSA-N 1 0 377.182 1.799 20 5 GDBDRO Cn1nnnc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589316743 652112029 /nfs/dbraw/zinc/11/20/29/652112029.db2.gz AGZGBRWGYGBFMW-UHFFFAOYSA-N 1 0 388.169 1.055 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000589926627 652121292 /nfs/dbraw/zinc/12/12/92/652121292.db2.gz XVQKCXRPHOXLKU-CABZTGNLSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000589926749 652121307 /nfs/dbraw/zinc/12/13/07/652121307.db2.gz ZVNLENYJQGXXKP-JOYOIKCWSA-N 1 0 379.360 1.938 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000592375107 652184522 /nfs/dbraw/zinc/18/45/22/652184522.db2.gz SPKMRXPDBCWFDP-KWQFWETISA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000592390440 652188363 /nfs/dbraw/zinc/18/83/63/652188363.db2.gz SSERUBFDOAEBFL-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000595982228 652431255 /nfs/dbraw/zinc/43/12/55/652431255.db2.gz BWSNJNJJAGGJTB-SSDOTTSWSA-N 1 0 377.182 1.846 20 5 GDBDRO Cc1c(Br)c(N2CC(C[NH+]3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000599109355 652478951 /nfs/dbraw/zinc/47/89/51/652478951.db2.gz UXXZBHBUCDMMMV-UHFFFAOYSA-N 1 0 384.278 1.744 20 5 GDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000600067303 652525302 /nfs/dbraw/zinc/52/53/02/652525302.db2.gz RKHNAUXRRLECCZ-SNVBAGLBSA-N 1 0 399.245 1.549 20 5 GDBDRO COc1ncc(Br)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600757353 652551588 /nfs/dbraw/zinc/55/15/88/652551588.db2.gz UZKWANRRKLNKMT-GFCCVEGCSA-N 1 0 386.206 1.108 20 5 GDBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000808222875 655101171 /nfs/dbraw/zinc/10/11/71/655101171.db2.gz OPXRUYZKULIGFN-JTQLQIEISA-N 1 0 390.209 1.683 20 5 GDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841193931 655313150 /nfs/dbraw/zinc/31/31/50/655313150.db2.gz GDPGUGFLYYAKFR-JTQLQIEISA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000841229004 655315947 /nfs/dbraw/zinc/31/59/47/655315947.db2.gz HOOZXOHLFUVNTD-ONGXEEELSA-N 1 0 399.245 1.861 20 5 GDBDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841245675 655317052 /nfs/dbraw/zinc/31/70/52/655317052.db2.gz AHBITQVGMOCOBE-VIFPVBQESA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841296077 655318988 /nfs/dbraw/zinc/31/89/88/655318988.db2.gz VPNFQXSTXPWNPY-SNVBAGLBSA-N 1 0 399.245 1.863 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841525573 655337347 /nfs/dbraw/zinc/33/73/47/655337347.db2.gz ZPIWUHDFDVBDGA-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)[C@H]2C1 ZINC000818033095 655364883 /nfs/dbraw/zinc/36/48/83/655364883.db2.gz FMBMTGZVZNQRJM-QWHCGFSZSA-N 1 0 399.245 1.688 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842794764 655377685 /nfs/dbraw/zinc/37/76/85/655377685.db2.gz WPLUNTMEHCJRTO-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842832401 655380185 /nfs/dbraw/zinc/38/01/85/655380185.db2.gz BMQXBQRJMPHFLT-KWQFWETISA-N 1 0 378.248 1.634 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842892996 655383206 /nfs/dbraw/zinc/38/32/06/655383206.db2.gz QLEULEDJERGRHC-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000850591027 655559514 /nfs/dbraw/zinc/55/95/14/655559514.db2.gz HVLYBNZSJHWXLE-UHFFFAOYSA-N 1 0 376.232 1.469 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000858618412 655750691 /nfs/dbraw/zinc/75/06/91/655750691.db2.gz BINMHQWTIPLQPP-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000858618740 655750712 /nfs/dbraw/zinc/75/07/12/655750712.db2.gz FPFQCMYCRSQFEF-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1Br ZINC000858620640 655750829 /nfs/dbraw/zinc/75/08/29/655750829.db2.gz XZSJIHBHEVLPPC-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000858630071 655751380 /nfs/dbraw/zinc/75/13/80/655751380.db2.gz JUVVAYOTUGWHDY-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000886890684 657719883 /nfs/dbraw/zinc/71/98/83/657719883.db2.gz PUCAVMOOVQEQJU-VIFPVBQESA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900804332 659147639 /nfs/dbraw/zinc/14/76/39/659147639.db2.gz KLBBSICRJJOVFO-NHYWBVRUSA-N 1 0 399.289 1.650 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C2 ZINC001164808605 720116558 /nfs/dbraw/zinc/11/65/58/720116558.db2.gz FVDFOKYZUVIWIJ-KXBFYZLASA-N 1 0 391.472 1.887 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC[C@H]2C1 ZINC001164851385 720838768 /nfs/dbraw/zinc/83/87/68/720838768.db2.gz GVBKADZZENQYDA-KSSFIOAISA-N 1 0 387.440 1.712 20 5 GDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164928035 721851607 /nfs/dbraw/zinc/85/16/07/721851607.db2.gz MRPLAVDUGIAGNJ-QWRGUYRKSA-N 1 0 386.909 1.975 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002681 722254857 /nfs/dbraw/zinc/25/48/57/722254857.db2.gz SLTQSDWDZLLVCJ-UHFFFAOYSA-N 1 0 390.444 1.222 20 5 GDBDRO CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001591633713 992939797 /nfs/dbraw/zinc/93/97/97/992939797.db2.gz VVXBGLDUQCNHHV-IBGZPJMESA-N 1 0 378.473 1.900 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000173455939 530630958 /nfs/dbraw/zinc/63/09/58/530630958.db2.gz WKAZDBCVIWNKDY-LBPRGKRZSA-N 1 0 390.893 1.410 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000176716526 530689470 /nfs/dbraw/zinc/68/94/70/530689470.db2.gz WQLZYTJLJDPLQD-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000121496064 530957060 /nfs/dbraw/zinc/95/70/60/530957060.db2.gz IBZRUNPZYRDKIW-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000124649321 530998437 /nfs/dbraw/zinc/99/84/37/530998437.db2.gz CYZIQSJVMRWWKJ-GFCCVEGCSA-N 1 0 390.531 1.517 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000133070277 531086894 /nfs/dbraw/zinc/08/68/94/531086894.db2.gz IJAAGFXHXQHFTA-GFCCVEGCSA-N 1 0 385.364 1.613 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000154337755 531182062 /nfs/dbraw/zinc/18/20/62/531182062.db2.gz DERBHCVKNIBAQF-ZDUSSCGKSA-N 1 0 390.259 1.731 20 5 GDBDRO CNC(=O)CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000154994440 531192765 /nfs/dbraw/zinc/19/27/65/531192765.db2.gz IUPQDWUYKMQGPP-UHFFFAOYSA-N 1 0 387.234 1.754 20 5 GDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CN(C)CCO1 ZINC000157445802 531206670 /nfs/dbraw/zinc/20/66/70/531206670.db2.gz ZTDLYSYGYYUGBE-HZMBPMFUSA-N 1 0 386.246 1.735 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291538246 531297284 /nfs/dbraw/zinc/29/72/84/531297284.db2.gz UXEZEFCNGCXRSP-UHFFFAOYSA-N 1 0 389.239 1.748 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H]1C ZINC000440809238 531345116 /nfs/dbraw/zinc/34/51/16/531345116.db2.gz SDPXNOXXJIEZDL-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421754 531346085 /nfs/dbraw/zinc/34/60/85/531346085.db2.gz IVCYLRFQYYGIGM-AWEZNQCLSA-N 1 0 399.245 1.926 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000447241447 531421385 /nfs/dbraw/zinc/42/13/85/531421385.db2.gz AHCZGZPUCFSRPC-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000268214786 531485293 /nfs/dbraw/zinc/48/52/93/531485293.db2.gz AZNNTFDECJZZED-LBPRGKRZSA-N 1 0 375.447 1.239 20 5 GDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415436908 531486134 /nfs/dbraw/zinc/48/61/34/531486134.db2.gz 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C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000416493454 531646041 /nfs/dbraw/zinc/64/60/41/531646041.db2.gz FCPLLNZCSPKBAG-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416493404 531646213 /nfs/dbraw/zinc/64/62/13/531646213.db2.gz DRUPQXSHLLGCAD-SNVBAGLBSA-N 1 0 392.275 1.896 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000590542037 531689201 /nfs/dbraw/zinc/68/92/01/531689201.db2.gz XGVHSMYCSVYDIA-CQSZACIVSA-N 1 0 397.273 1.406 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590551098 531689264 /nfs/dbraw/zinc/68/92/64/531689264.db2.gz WKNPZLODMCAWFO-ZIAGYGMSSA-N 1 0 398.257 1.567 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000561437426 531698554 /nfs/dbraw/zinc/69/85/54/531698554.db2.gz AISPGDQZWRBRFR-JQWIXIFHSA-N 1 0 378.401 1.500 20 5 GDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Br ZINC000452374215 531774679 /nfs/dbraw/zinc/77/46/79/531774679.db2.gz WQINLHYVVGWLEO-LBPRGKRZSA-N 1 0 386.246 1.934 20 5 GDBDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000592983034 531815066 /nfs/dbraw/zinc/81/50/66/531815066.db2.gz SBIQGSFQHRJLOP-UHFFFAOYSA-N 1 0 397.284 1.427 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000595120549 531866055 /nfs/dbraw/zinc/86/60/55/531866055.db2.gz HRWYGQSJLGBPMA-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000568748389 531917107 /nfs/dbraw/zinc/91/71/07/531917107.db2.gz NXTZZOBIQKEDBZ-GFCCVEGCSA-N 1 0 389.193 1.975 20 5 GDBDRO CCC(F)(F)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000599149552 532009310 /nfs/dbraw/zinc/00/93/10/532009310.db2.gz PHRXXTBQUMWSTM-UHFFFAOYSA-N 1 0 380.417 1.892 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420447618 532014683 /nfs/dbraw/zinc/01/46/83/532014683.db2.gz CWHSALNBPUUVGF-DTWKUNHWSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(C(F)(F)F)c1 ZINC000420459327 532017954 /nfs/dbraw/zinc/01/79/54/532017954.db2.gz QTPUVAXASHYEIJ-SNVBAGLBSA-N 1 0 383.348 1.270 20 5 GDBDRO C[C@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)C1 ZINC000286269371 532139385 /nfs/dbraw/zinc/13/93/85/532139385.db2.gz DXZAVIPJDUZUGV-ZJUUUORDSA-N 1 0 395.840 1.463 20 5 GDBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000273086923 532133049 /nfs/dbraw/zinc/13/30/49/532133049.db2.gz YZAGJTUZSAVIFG-QMMMGPOBSA-N 1 0 375.166 1.539 20 5 GDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000273094861 532134049 /nfs/dbraw/zinc/13/40/49/532134049.db2.gz KJQQTYNZPCTACJ-AWEZNQCLSA-N 1 0 382.214 1.842 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000273931125 532176688 /nfs/dbraw/zinc/17/66/88/532176688.db2.gz KPBWSZOOWPICDJ-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376679715 532224629 /nfs/dbraw/zinc/22/46/29/532224629.db2.gz KQOMSUDUAURQIK-ONGXEEELSA-N 1 0 390.259 1.730 20 5 GDBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000288238958 532275093 /nfs/dbraw/zinc/27/50/93/532275093.db2.gz AKNRTQGCSFLOIS-UHFFFAOYSA-N 1 0 392.909 1.752 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432292361 532283016 /nfs/dbraw/zinc/28/30/16/532283016.db2.gz UGNDZQDNQGLPLI-LLVKDONJSA-N 1 0 377.488 1.744 20 5 GDBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)CC1 ZINC000275289684 532283607 /nfs/dbraw/zinc/28/36/07/532283607.db2.gz GJTQAYGQPJHCLC-LBPRGKRZSA-N 1 0 390.483 1.171 20 5 GDBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289521874 532326673 /nfs/dbraw/zinc/32/66/73/532326673.db2.gz NUBXEGJAZFKYDY-TVQRCGJNSA-N 1 0 392.193 1.829 20 5 GDBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289521869 532326801 /nfs/dbraw/zinc/32/68/01/532326801.db2.gz NUBXEGJAZFKYDY-NOZJJQNGSA-N 1 0 392.193 1.829 20 5 GDBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736850701 598895800 /nfs/dbraw/zinc/89/58/00/598895800.db2.gz AAVAEZNHXJLNAV-HNNXBMFYSA-N 1 0 386.460 1.380 20 5 GDBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736747465 598247920 /nfs/dbraw/zinc/24/79/20/598247920.db2.gz SWRNJAQUCJWAQY-HNNXBMFYSA-N 1 0 388.432 1.130 20 5 GDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736150182 598335850 /nfs/dbraw/zinc/33/58/50/598335850.db2.gz XGHDYXTVYLYENW-LBPRGKRZSA-N 1 0 375.433 1.304 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000738369609 599358310 /nfs/dbraw/zinc/35/83/10/599358310.db2.gz KGNYTHYGDIYEJL-AWEZNQCLSA-N 1 0 396.411 1.735 20 5 GDBDRO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)N1CC[NH+](C)CC1 ZINC000820274111 599518336 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CZLFZMZFDXGLBX-LBPRGKRZSA-N 1 0 391.877 1.682 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193403749 645050275 /nfs/dbraw/zinc/05/02/75/645050275.db2.gz UMKJBHHGYJFFLM-KWQFWETISA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193411628 645050841 /nfs/dbraw/zinc/05/08/41/645050841.db2.gz MNYGHXFCRKMLTI-SCZZXKLOSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262798951 645139337 /nfs/dbraw/zinc/13/93/37/645139337.db2.gz UXXAWHFMHSIXOD-PSASIEDQSA-N 1 0 378.248 1.634 20 5 GDBDRO CC[N@H+](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491583703 647995799 /nfs/dbraw/zinc/99/57/99/647995799.db2.gz MDQDSHYBYXRFRM-UHFFFAOYSA-N 1 0 384.380 1.928 20 5 GDBDRO CC[N@H+](CCO)CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501087982 648129126 /nfs/dbraw/zinc/12/91/26/648129126.db2.gz VSBCGFIMCNNVRE-UHFFFAOYSA-N 1 0 375.223 1.793 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000519711071 648636696 /nfs/dbraw/zinc/63/66/96/648636696.db2.gz HJLACCDUKXRBOJ-CYBMUJFWSA-N 1 0 379.360 1.988 20 5 GDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000572667986 651101916 /nfs/dbraw/zinc/10/19/16/651101916.db2.gz WSSDPRHHPRNFOR-UHFFFAOYSA-N 1 0 399.245 1.896 20 5 GDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000575379203 651594375 /nfs/dbraw/zinc/59/43/75/651594375.db2.gz YOQZFRJWAKXSJR-CYBMUJFWSA-N 1 0 399.245 1.973 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000579832610 651878879 /nfs/dbraw/zinc/87/88/79/651878879.db2.gz KSZBNRCKIWEANP-UHFFFAOYSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000593770570 652247486 /nfs/dbraw/zinc/24/74/86/652247486.db2.gz KQYADUXPNCZLNJ-UHFFFAOYSA-N 1 0 399.245 1.849 20 5 GDBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594822381 652373848 /nfs/dbraw/zinc/37/38/48/652373848.db2.gz WUPJFBSYTHZBPF-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599108435 652478830 /nfs/dbraw/zinc/47/88/30/652478830.db2.gz SEHJFKKUZVYMCI-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977027 652520362 /nfs/dbraw/zinc/52/03/62/652520362.db2.gz GJACHFALNNYAEG-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000601348301 652568941 /nfs/dbraw/zinc/56/89/41/652568941.db2.gz UPTWJLHVYQODNY-AOOOYVTPSA-N 1 0 376.232 1.482 20 5 GDBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601398530 652575983 /nfs/dbraw/zinc/57/59/83/652575983.db2.gz HEIBLDFUJDJJEV-LLVKDONJSA-N 1 0 376.504 1.269 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000768881707 654440024 /nfs/dbraw/zinc/44/00/24/654440024.db2.gz JDVWJOIFKMNSNP-TZMCWYRMSA-N 1 0 388.515 1.303 20 5 GDBDRO C[NH+](C)CCOC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000738211264 654651329 /nfs/dbraw/zinc/65/13/29/654651329.db2.gz UNDZBLFROJZBNI-UHFFFAOYSA-N 1 0 376.255 1.554 20 5 GDBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000780480290 654785509 /nfs/dbraw/zinc/78/55/09/654785509.db2.gz WCTHOKHYRDVNQW-JTQLQIEISA-N 1 0 376.255 1.288 20 5 GDBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]C1 ZINC000701030770 654832238 /nfs/dbraw/zinc/83/22/38/654832238.db2.gz MQAGHPDMLVRQFJ-GFCCVEGCSA-N 1 0 375.166 1.681 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000782482961 654832979 /nfs/dbraw/zinc/83/29/79/654832979.db2.gz NEXXYGBRYFOCCM-NWDGAFQWSA-N 1 0 377.513 1.857 20 5 GDBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCS(=O)(=O)CC1 ZINC000784670751 654894097 /nfs/dbraw/zinc/89/40/97/654894097.db2.gz OZXFMEDWCOULQJ-UHFFFAOYSA-N 1 0 390.845 1.848 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841202763 655313853 /nfs/dbraw/zinc/31/38/53/655313853.db2.gz ZDIFSGQZGJVWID-RKDXNWHRSA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000841218561 655315361 /nfs/dbraw/zinc/31/53/61/655315361.db2.gz RTXOPPSAMUBNAA-PELKAZGASA-N 1 0 399.245 1.718 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841225119 655315576 /nfs/dbraw/zinc/31/55/76/655315576.db2.gz RHDZETMLNVRVCO-NXEZZACHSA-N 1 0 399.245 1.990 20 5 GDBDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841222848 655315584 /nfs/dbraw/zinc/31/55/84/655315584.db2.gz NGLCAYCANXZZKE-GFCCVEGCSA-N 1 0 399.245 1.752 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841234674 655316294 /nfs/dbraw/zinc/31/62/94/655316294.db2.gz SBQWMEWHQPFHSM-OAHLLOKOSA-N 1 0 399.245 1.802 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)cc1Br ZINC000842482047 655367327 /nfs/dbraw/zinc/36/73/27/655367327.db2.gz VPOQSEOOGDOMJT-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1Br ZINC000842482814 655367572 /nfs/dbraw/zinc/36/75/72/655367572.db2.gz ZGKGDJOMSGPYLH-VIFPVBQESA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000842485214 655368033 /nfs/dbraw/zinc/36/80/33/655368033.db2.gz FHRBTXNYRWQZTA-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000842732806 655374267 /nfs/dbraw/zinc/37/42/67/655374267.db2.gz XIXZYYBMWALHCE-ZJUUUORDSA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842788620 655377021 /nfs/dbraw/zinc/37/70/21/655377021.db2.gz IOHPEEHKMULNPK-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000843083770 655388150 /nfs/dbraw/zinc/38/81/50/655388150.db2.gz KBAKINNRDKKTJS-MFKMUULPSA-N 1 0 375.212 1.782 20 5 GDBDRO [NH3+]CCC1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000846323003 655452278 /nfs/dbraw/zinc/45/22/78/655452278.db2.gz BROYRYUNDHSZIB-UHFFFAOYSA-N 1 0 399.245 1.883 20 5 GDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)(F)F ZINC000848601699 655497377 /nfs/dbraw/zinc/49/73/77/655497377.db2.gz HEXJMYPMPIPVAW-QMMMGPOBSA-N 1 0 399.123 1.302 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000849428467 655533552 /nfs/dbraw/zinc/53/35/52/655533552.db2.gz BPJODQZSUAGKAW-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000857235762 655731691 /nfs/dbraw/zinc/73/16/91/655731691.db2.gz UNAIINFPVNKZBV-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000861525495 655824614 /nfs/dbraw/zinc/82/46/14/655824614.db2.gz ZDZRXYMESQVHHA-PSASIEDQSA-N 1 0 385.218 1.553 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000866809048 655966068 /nfs/dbraw/zinc/96/60/68/655966068.db2.gz GEPMCSXYTLCDKT-UHFFFAOYSA-N 1 0 391.877 1.903 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887921039 657848879 /nfs/dbraw/zinc/84/88/79/657848879.db2.gz PGERSWWPWPQJBD-BMIGLBTASA-N 1 0 383.246 1.963 20 5 GDBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000895773290 658728710 /nfs/dbraw/zinc/72/87/10/658728710.db2.gz QCRJOBOJUZBKSZ-CYBMUJFWSA-N 1 0 384.230 1.742 20 5 GDBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000896458054 658780392 /nfs/dbraw/zinc/78/03/92/658780392.db2.gz MBZRBEQKFBDANQ-GFCCVEGCSA-N 1 0 380.264 1.202 20 5 GDBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000900640891 659129530 /nfs/dbraw/zinc/12/95/30/659129530.db2.gz GEPSPBHEEJHJIB-UHFFFAOYSA-N 1 0 381.234 1.402 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681565 719621257 /nfs/dbraw/zinc/62/12/57/719621257.db2.gz IDFIMWYQAYVCNJ-UHFFFAOYSA-N 1 0 375.433 1.373 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(OC)c1[N+](=O)[O-])C2 ZINC001164816190 720115845 /nfs/dbraw/zinc/11/58/45/720115845.db2.gz YHZOEJFHKAUGQK-KDOFPFPSSA-N 1 0 377.445 1.578 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164821612 720291031 /nfs/dbraw/zinc/29/10/31/720291031.db2.gz LINPAYHIKVDGSR-SJORKVTESA-N 1 0 389.456 1.140 20 5 GDBDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164824959 720349334 /nfs/dbraw/zinc/34/93/34/720349334.db2.gz IILDSAYDHMWBOP-HOTGVXAUSA-N 1 0 388.472 1.605 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738286 720616632 /nfs/dbraw/zinc/61/66/32/720616632.db2.gz BNTMVAHSPJILDW-STQMWFEESA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164745733 720632045 /nfs/dbraw/zinc/63/20/45/720632045.db2.gz WFRZXYSXIUENEI-GJZGRUSLSA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2c1 ZINC001164738632 720646191 /nfs/dbraw/zinc/64/61/91/720646191.db2.gz CGAGKSILIUOWBS-HUUCEWRRSA-N 1 0 393.407 1.670 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865947 721089275 /nfs/dbraw/zinc/08/92/75/721089275.db2.gz QEWDELGHKSJCIA-GJZGRUSLSA-N 1 0 386.412 1.268 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(N)c([N+](=O)[O-])cn4)C3)O2)CC1 ZINC001164892550 721418926 /nfs/dbraw/zinc/41/89/26/721418926.db2.gz YSFHXHXAQXQJNL-DNVCBOLYSA-N 1 0 390.488 1.337 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(Cl)cc2[N+](=O)[O-])CC3)CC1 ZINC001164794902 721509028 /nfs/dbraw/zinc/50/90/28/721509028.db2.gz FOTXLDZLKGDQDA-UHFFFAOYSA-N 1 0 391.863 1.607 20 5 GDBDRO COc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ncc1[N+](=O)[O-] ZINC001165010677 721735457 /nfs/dbraw/zinc/73/54/57/721735457.db2.gz KGAQHJOSOHTQLF-UHFFFAOYSA-N 1 0 377.445 1.521 20 5 GDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000178516479 530722395 /nfs/dbraw/zinc/72/23/95/530722395.db2.gz ZECOFVZMHZMJAJ-QMMMGPOBSA-N 1 0 375.166 1.620 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000178936922 530731186 /nfs/dbraw/zinc/73/11/86/530731186.db2.gz KQBHVYINLBGWOA-SNVBAGLBSA-N 1 0 392.275 1.944 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000114211093 530893158 /nfs/dbraw/zinc/89/31/58/530893158.db2.gz HZDIBLUMINQQAO-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO CCC[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000193346248 530984777 /nfs/dbraw/zinc/98/47/77/530984777.db2.gz SWRDKSBFLWUNFG-UHFFFAOYSA-N 1 0 380.264 1.944 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000195304102 531020093 /nfs/dbraw/zinc/02/00/93/531020093.db2.gz UMQPULICGUTDSG-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Br)c1 ZINC000245879880 531061506 /nfs/dbraw/zinc/06/15/06/531061506.db2.gz IACYBMAEQJFOGG-LSDHHAIUSA-N 1 0 399.245 1.580 20 5 GDBDRO CC[NH2+]CCCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000519777578 531220332 /nfs/dbraw/zinc/22/03/32/531220332.db2.gz ZIVHSPRBPIFVSD-UHFFFAOYSA-N 1 0 380.264 1.944 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000474104729 531267416 /nfs/dbraw/zinc/26/74/16/531267416.db2.gz HTDKSCVQRIUJDH-UHFFFAOYSA-N 1 0 391.877 1.980 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291537996 531297386 /nfs/dbraw/zinc/29/73/86/531297386.db2.gz ONRLPKVVZIFAQN-GFCCVEGCSA-N 1 0 389.239 1.971 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000440341562 531333323 /nfs/dbraw/zinc/33/33/23/531333323.db2.gz PPMMWYIQNPUMKG-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293086883 531399451 /nfs/dbraw/zinc/39/94/51/531399451.db2.gz DQMZWPRTVMYUJP-SECBINFHSA-N 1 0 387.234 1.610 20 5 GDBDRO CSC1(CNc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000278892282 531399613 /nfs/dbraw/zinc/39/96/13/531399613.db2.gz PXHSCEAVDMSLEF-UHFFFAOYSA-N 1 0 388.515 1.742 20 5 GDBDRO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CS1 ZINC000413511328 531408959 /nfs/dbraw/zinc/40/89/59/531408959.db2.gz GRSSLBPMYFTQOQ-NEPJUHHUSA-N 1 0 388.515 1.741 20 5 GDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000362012503 531454947 /nfs/dbraw/zinc/45/49/47/531454947.db2.gz VJSCAUMRRRTVSM-LBPRGKRZSA-N 1 0 388.515 1.276 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415661517 531510813 /nfs/dbraw/zinc/51/08/13/531510813.db2.gz BDBVGUDYVZOJSE-UFBFGSQYSA-N 1 0 385.218 1.553 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415668506 531512322 /nfs/dbraw/zinc/51/23/22/531512322.db2.gz ZXTINRXNLRHWIF-PRHODGIISA-N 1 0 385.218 1.410 20 5 GDBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551454001 531537913 /nfs/dbraw/zinc/53/79/13/531537913.db2.gz YRGSUZHTBAVISA-UHFFFAOYSA-N 1 0 399.245 1.848 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415873888 531548483 /nfs/dbraw/zinc/54/84/83/531548483.db2.gz VQDIWVGAFKYLKS-VHSXEESVSA-N 1 0 397.229 1.364 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000561689798 531718688 /nfs/dbraw/zinc/71/86/88/531718688.db2.gz SDILILXPMQEAHH-MRXNPFEDSA-N 1 0 385.873 1.913 20 5 GDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452365135 531774859 /nfs/dbraw/zinc/77/48/59/531774859.db2.gz NJLGKOKPFDOMPM-ZDUSSCGKSA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000592294592 531776269 /nfs/dbraw/zinc/77/62/69/531776269.db2.gz JIJAKFGGKCNZJD-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595122594 531866337 /nfs/dbraw/zinc/86/63/37/531866337.db2.gz OENUJXDKEYOWPU-GHMZBOCLSA-N 1 0 382.211 1.417 20 5 GDBDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(N)=O ZINC000459477284 532017429 /nfs/dbraw/zinc/01/74/29/532017429.db2.gz HSTXWWYZUPDMLR-AWEZNQCLSA-N 1 0 387.234 1.785 20 5 GDBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000470063716 532081960 /nfs/dbraw/zinc/08/19/60/532081960.db2.gz AATGYJFEDNXUCR-NSHDSACASA-N 1 0 386.246 1.886 20 5 GDBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000273086921 532133300 /nfs/dbraw/zinc/13/33/00/532133300.db2.gz YZAGJTUZSAVIFG-MRVPVSSYSA-N 1 0 375.166 1.539 20 5 GDBDRO C[C@@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286353784 532144595 /nfs/dbraw/zinc/14/45/95/532144595.db2.gz JBVKXRXGAOOGCF-SECBINFHSA-N 1 0 381.813 1.074 20 5 GDBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405269695 532306667 /nfs/dbraw/zinc/30/66/67/532306667.db2.gz NVPCFVKYEPKXHO-WDEREUQCSA-N 1 0 389.193 1.455 20 5 GDBDRO COC[C@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289437433 532324317 /nfs/dbraw/zinc/32/43/17/532324317.db2.gz FPIRCDOCKORFBH-GFCCVEGCSA-N 1 0 380.182 1.686 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(CN2C[C@@H](O)C[C@H]2CO)c1 ZINC000289536467 532327081 /nfs/dbraw/zinc/32/70/81/532327081.db2.gz NVDQOOVQKYSKPS-RYUDHWBXSA-N 1 0 378.166 1.127 20 5 GDBDRO COc1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1[N+](=O)[O-] ZINC000737095905 599486839 /nfs/dbraw/zinc/48/68/39/599486839.db2.gz QKVUNQOTYFTDBM-UHFFFAOYSA-N 1 0 380.368 1.721 20 5 GDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823635023 606640395 /nfs/dbraw/zinc/64/03/95/606640395.db2.gz PVHHVMYXBBHNLS-JSGCOSHPSA-N 1 0 376.398 1.021 20 5 GDBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)c1 ZINC000822374345 606705745 /nfs/dbraw/zinc/70/57/45/606705745.db2.gz RSWDUPWJPXTPTC-LBPRGKRZSA-N 1 0 381.400 1.812 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)nc1 ZINC000823639839 606975314 /nfs/dbraw/zinc/97/53/14/606975314.db2.gz INOPTHIUBWVZDI-GFCCVEGCSA-N 1 0 384.375 1.995 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000823619831 607167938 /nfs/dbraw/zinc/16/79/38/607167938.db2.gz BTYBEVXNICMKPO-CQSZACIVSA-N 1 0 396.411 1.001 20 5 GDBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826499302 607876600 /nfs/dbraw/zinc/87/66/00/607876600.db2.gz DHWBBEBDGDPCJY-OAHLLOKOSA-N 1 0 396.407 1.573 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826077360 608019731 /nfs/dbraw/zinc/01/97/31/608019731.db2.gz FNYJLNAKCWKTPO-UHFFFAOYSA-N 1 0 385.388 1.211 20 5 GDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824572415 608470041 /nfs/dbraw/zinc/47/00/41/608470041.db2.gz UXALNXUZAUUTJW-LRDDRELGSA-N 1 0 384.396 1.865 20 5 GDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@@H]1[NH+](C)C ZINC000536814877 650281394 /nfs/dbraw/zinc/28/13/94/650281394.db2.gz LMNUEDKRKOTMHV-DZGCQCFKSA-N 1 0 385.511 1.797 20 5 GDBDRO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000565973849 650824340 /nfs/dbraw/zinc/82/43/40/650824340.db2.gz SOIYZCXERWUPHC-JTQLQIEISA-N 1 0 388.877 1.523 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cs1 ZINC000120032891 644665629 /nfs/dbraw/zinc/66/56/29/644665629.db2.gz DBQQYZKEWBCNHB-KGLIPLIRSA-N 1 0 389.499 1.703 20 5 GDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123081479 644692954 /nfs/dbraw/zinc/69/29/54/644692954.db2.gz XDSYRLIOVYQFLS-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193382472 645050362 /nfs/dbraw/zinc/05/03/62/645050362.db2.gz BJWUVJWZCVLRJC-UHFFFAOYSA-N 1 0 376.232 1.555 20 5 GDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237805577 645087444 /nfs/dbraw/zinc/08/74/44/645087444.db2.gz XKWUGIZXWKDVLZ-SCZZXKLOSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000261854928 645118319 /nfs/dbraw/zinc/11/83/19/645118319.db2.gz RUISIAKHWZHGCM-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC000262783344 645138992 /nfs/dbraw/zinc/13/89/92/645138992.db2.gz LTZWAJRFRYDWEP-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569238178 650990725 /nfs/dbraw/zinc/99/07/25/650990725.db2.gz KTTJQEZQZFBNJB-OAHLLOKOSA-N 1 0 384.230 1.544 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000445546953 647269310 /nfs/dbraw/zinc/26/93/10/647269310.db2.gz FCAJUGHKXFTSRD-IUCAKERBSA-N 1 0 378.248 1.906 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461897835 647503103 /nfs/dbraw/zinc/50/31/03/647503103.db2.gz CITVWKSFVRFETG-NSHDSACASA-N 1 0 378.248 1.715 20 5 GDBDRO O=C(NCC1CC[NH2+]CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000516954691 648546727 /nfs/dbraw/zinc/54/67/27/648546727.db2.gz MDXZMIKHAIETBE-UHFFFAOYSA-N 1 0 389.193 1.929 20 5 GDBDRO COc1c(S(=O)(=O)NC[C@@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000592383474 652186345 /nfs/dbraw/zinc/18/63/45/652186345.db2.gz WTUASLSIKKECIO-ZCFIWIBFSA-N 1 0 382.236 1.300 20 5 GDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000595118245 652393995 /nfs/dbraw/zinc/39/39/95/652393995.db2.gz MUZIBWYPHIGMQP-UHFFFAOYSA-N 1 0 376.232 1.469 20 5 GDBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597624426 652455169 /nfs/dbraw/zinc/45/51/69/652455169.db2.gz IUKIMJAKYGMGCW-CYBMUJFWSA-N 1 0 397.273 1.785 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000599111005 652479306 /nfs/dbraw/zinc/47/93/06/652479306.db2.gz VSROLDYRSOGJOK-GFCCVEGCSA-N 1 0 375.472 1.436 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(F)c(Br)cc2F)c1 ZINC000600761078 652552277 /nfs/dbraw/zinc/55/22/77/652552277.db2.gz KJIKVMBNPCRKAW-JTQLQIEISA-N 1 0 391.172 1.983 20 5 GDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)C1=O ZINC000601177351 652564787 /nfs/dbraw/zinc/56/47/87/652564787.db2.gz ULEFCJGALPKNAD-CYBMUJFWSA-N 1 0 398.261 1.859 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000613475692 652958454 /nfs/dbraw/zinc/95/84/54/652958454.db2.gz XPRVJYQVEJKWEJ-CYBMUJFWSA-N 1 0 388.515 1.365 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000782482963 654833104 /nfs/dbraw/zinc/83/31/04/654833104.db2.gz NEXXYGBRYFOCCM-RYUDHWBXSA-N 1 0 377.513 1.857 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000754793305 654980160 /nfs/dbraw/zinc/98/01/60/654980160.db2.gz PVQGMDVHVZSDTD-SECBINFHSA-N 1 0 390.259 1.872 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834727529 655076989 /nfs/dbraw/zinc/07/69/89/655076989.db2.gz NJOXZYFCPXVYGU-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000808334210 655106771 /nfs/dbraw/zinc/10/67/71/655106771.db2.gz FDPZPEDRPRXGEM-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810355331 655156214 /nfs/dbraw/zinc/15/62/14/655156214.db2.gz YYPCMWHZAPRILT-SNVBAGLBSA-N 1 0 385.218 1.506 20 5 GDBDRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162246 655311380 /nfs/dbraw/zinc/31/13/80/655311380.db2.gz ZGBLHKPEHLUNTN-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000841166302 655311785 /nfs/dbraw/zinc/31/17/85/655311785.db2.gz OBWDTFSZQYBLJH-UHFFFAOYSA-N 1 0 385.218 1.472 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841170230 655311952 /nfs/dbraw/zinc/31/19/52/655311952.db2.gz SBTLXHKZAVRPRS-SNVBAGLBSA-N 1 0 399.245 1.720 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000841209185 655314202 /nfs/dbraw/zinc/31/42/02/655314202.db2.gz MBFBAVNMJMHJBX-BDAKNGLRSA-N 1 0 385.218 1.505 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842479824 655366784 /nfs/dbraw/zinc/36/67/84/655366784.db2.gz FBFUZSTXJSWZSN-KCJUWKMLSA-N 1 0 376.232 1.340 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000842745208 655374960 /nfs/dbraw/zinc/37/49/60/655374960.db2.gz GMUPFTBYSCVLDY-NSHDSACASA-N 1 0 390.259 1.872 20 5 GDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000842798230 655377900 /nfs/dbraw/zinc/37/79/00/655377900.db2.gz RJSXPPCLCUKEJQ-UHFFFAOYSA-N 1 0 390.259 1.906 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000846230325 655450203 /nfs/dbraw/zinc/45/02/03/655450203.db2.gz FQYBZKCZZWJYFL-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1[NH+](C)C ZINC000827424476 655510967 /nfs/dbraw/zinc/51/09/67/655510967.db2.gz AHRKIUBVMBIGRF-QWRGUYRKSA-N 1 0 389.275 1.870 20 5 GDBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[NH+](C)C ZINC000849428362 655533530 /nfs/dbraw/zinc/53/35/30/655533530.db2.gz AFLXNNVOZKJHTC-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000851887865 655602561 /nfs/dbraw/zinc/60/25/61/655602561.db2.gz ZXVGOGZCCGCFQC-CYBMUJFWSA-N 1 0 391.877 1.980 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000858625976 655751174 /nfs/dbraw/zinc/75/11/74/655751174.db2.gz IRUCJKSFPRCHBY-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000858631746 655751511 /nfs/dbraw/zinc/75/15/11/655751511.db2.gz KBFMDMGHKFKEAI-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000861525391 655824541 /nfs/dbraw/zinc/82/45/41/655824541.db2.gz VSMWJAUJAJEKGO-VHSXEESVSA-N 1 0 399.245 1.861 20 5 GDBDRO COCC[N@H+](C)CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883299153 657280666 /nfs/dbraw/zinc/28/06/66/657280666.db2.gz MWBJFYUXWWVFRG-UHFFFAOYSA-N 1 0 389.250 1.735 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727196 720565875 /nfs/dbraw/zinc/56/58/75/720565875.db2.gz BYSHWUZCPRCONU-UHFFFAOYSA-N 1 0 387.444 1.557 20 5 GDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743018 720614942 /nfs/dbraw/zinc/61/49/42/720614942.db2.gz NZCOOOVXDWAFOM-NWDGAFQWSA-N 1 0 376.804 1.775 20 5 GDBDRO Nc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747328 720834254 /nfs/dbraw/zinc/83/42/54/720834254.db2.gz QEIUZFYJEDMXKJ-HLLBOEOZSA-N 1 0 398.471 1.543 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868619 721062507 /nfs/dbraw/zinc/06/25/07/721062507.db2.gz OQRUTZLDWQBECQ-JKSUJKDBSA-N 1 0 385.424 1.873 20 5 GDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164924106 721853690 /nfs/dbraw/zinc/85/36/90/721853690.db2.gz CBJIVSZSHUVJGT-QWRGUYRKSA-N 1 0 398.851 1.039 20 5 GDBDRO C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C2)CC1 ZINC001598586129 993385994 /nfs/dbraw/zinc/38/59/94/993385994.db2.gz PDCGHBMJDXWZGK-HNNXBMFYSA-N 1 0 392.456 1.316 20 5 GDBDRO C[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158814689 530536344 /nfs/dbraw/zinc/53/63/44/530536344.db2.gz NYXRHPZQYFQTIH-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc([N+](=O)[O-])c1F ZINC000180080270 530756862 /nfs/dbraw/zinc/75/68/62/530756862.db2.gz ZCKDLNLVOGHXPL-UHFFFAOYSA-N 1 0 375.422 1.167 20 5 GDBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000093583285 530814091 /nfs/dbraw/zinc/81/40/91/530814091.db2.gz AIFAPMGTXLWRCL-ZDUSSCGKSA-N 1 0 388.262 1.482 20 5 GDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000108874242 530860217 /nfs/dbraw/zinc/86/02/17/530860217.db2.gz COBCXZVHPBJTIQ-SNVBAGLBSA-N 1 0 378.248 1.682 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187341992 530871598 /nfs/dbraw/zinc/87/15/98/530871598.db2.gz HGPOYVKRCUPIAJ-GHMZBOCLSA-N 1 0 375.422 1.894 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123292206 530982463 /nfs/dbraw/zinc/98/24/63/530982463.db2.gz DEGXOKQZOHOPSQ-NXEZZACHSA-N 1 0 378.248 1.906 20 5 GDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000126334499 531017920 /nfs/dbraw/zinc/01/79/20/531017920.db2.gz KZKCBKLBSZHANB-UHFFFAOYSA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000125042771 531002300 /nfs/dbraw/zinc/00/23/00/531002300.db2.gz KTXOSDCERBHIEU-CPCISQLKSA-N 1 0 384.241 1.638 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cncc(Br)c2)cc1 ZINC000237955354 531053043 /nfs/dbraw/zinc/05/30/43/531053043.db2.gz BAPMBRBWHZCUBI-HUUCEWRRSA-N 1 0 382.214 1.936 20 5 GDBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000134890616 531105385 /nfs/dbraw/zinc/10/53/85/531105385.db2.gz CSHZYIZDPIRXOL-UHFFFAOYSA-N 1 0 375.166 1.585 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262875010 531133555 /nfs/dbraw/zinc/13/35/55/531133555.db2.gz VIGHZXHKDLNIJO-QPUJVOFHSA-N 1 0 389.193 1.927 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000156208127 531204324 /nfs/dbraw/zinc/20/43/24/531204324.db2.gz PWPWOAXTBAHUMJ-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000291431515 531291621 /nfs/dbraw/zinc/29/16/21/531291621.db2.gz YOOUHOIZSISZTF-AOOOYVTPSA-N 1 0 397.229 1.316 20 5 GDBDRO O=C1NCCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449439946 531472289 /nfs/dbraw/zinc/47/22/89/531472289.db2.gz XOPSJJGMPDDLDQ-NSHDSACASA-N 1 0 375.166 1.568 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415464087 531488843 /nfs/dbraw/zinc/48/88/43/531488843.db2.gz QUGWKBQFJVPIKR-LDYMZIIASA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415684081 531513872 /nfs/dbraw/zinc/51/38/72/531513872.db2.gz DQVFVRSABRCJJI-HNNXBMFYSA-N 1 0 399.245 1.802 20 5 GDBDRO CS[C@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000295030392 531516443 /nfs/dbraw/zinc/51/64/43/531516443.db2.gz RSFZMYYWMQXPPB-LBPRGKRZSA-N 1 0 388.515 1.376 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000581515339 531496392 /nfs/dbraw/zinc/49/63/92/531496392.db2.gz LWZVIOKWDQQKQI-MRXNPFEDSA-N 1 0 398.257 1.852 20 5 GDBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295123003 531523702 /nfs/dbraw/zinc/52/37/02/531523702.db2.gz JZTCLCVXMZYFKY-UHFFFAOYSA-N 1 0 386.257 1.494 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415860059 531545259 /nfs/dbraw/zinc/54/52/59/531545259.db2.gz BPHDNNQCRXQTCI-JTQLQIEISA-N 1 0 385.218 1.554 20 5 GDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000295496515 531588485 /nfs/dbraw/zinc/58/84/85/531588485.db2.gz OXMBXPSYXYBGFN-GFCCVEGCSA-N 1 0 386.246 1.934 20 5 GDBDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560211258 531630197 /nfs/dbraw/zinc/63/01/97/531630197.db2.gz IJOJFFGAGPWALE-UHFFFAOYSA-N 1 0 387.234 1.800 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416493403 531645702 /nfs/dbraw/zinc/64/57/02/531645702.db2.gz DRUPQXSHLLGCAD-JTQLQIEISA-N 1 0 392.275 1.896 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590551487 531690385 /nfs/dbraw/zinc/69/03/85/531690385.db2.gz YKUYPPWQVDOUIC-AAEUAGOBSA-N 1 0 398.257 1.947 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619532387 531711002 /nfs/dbraw/zinc/71/10/02/531711002.db2.gz AYHXTPQDDXUIEC-NSHDSACASA-N 1 0 399.245 1.815 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000366305523 531736288 /nfs/dbraw/zinc/73/62/88/531736288.db2.gz KEPFSWFUNMWDHK-SKDRFNHKSA-N 1 0 379.360 1.986 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592332318 531780673 /nfs/dbraw/zinc/78/06/73/531780673.db2.gz WKRYLWDQIBYLSV-PRHODGIISA-N 1 0 389.193 1.927 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000592365520 531781928 /nfs/dbraw/zinc/78/19/28/531781928.db2.gz XAKYJIBCOPRSDG-UHFFFAOYSA-N 1 0 378.248 1.635 20 5 GDBDRO CN(CCN1CC[NH2+]CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000592468671 531789857 /nfs/dbraw/zinc/78/98/57/531789857.db2.gz CYRNJWSJRIDGTP-UHFFFAOYSA-N 1 0 385.262 1.263 20 5 GDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000592492070 531793881 /nfs/dbraw/zinc/79/38/81/531793881.db2.gz MVHDLMDDOOBHRG-WDEREUQCSA-N 1 0 383.246 1.837 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000367075536 531806010 /nfs/dbraw/zinc/80/60/10/531806010.db2.gz VLUIOTPDUXZIPF-WPRPVWTQSA-N 1 0 385.339 1.934 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000595249192 531873701 /nfs/dbraw/zinc/87/37/01/531873701.db2.gz KKPFXQYUZKUWRH-UHFFFAOYSA-N 1 0 397.229 1.472 20 5 GDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000595413490 531881295 /nfs/dbraw/zinc/88/12/95/531881295.db2.gz SOHDIYDRIASYJO-LBPRGKRZSA-N 1 0 392.275 1.976 20 5 GDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597575478 531946962 /nfs/dbraw/zinc/94/69/62/531946962.db2.gz YYRJWNOUUZWOSN-OAHLLOKOSA-N 1 0 386.246 1.886 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000599101056 532004810 /nfs/dbraw/zinc/00/48/10/532004810.db2.gz HGZCJJCBHGCCPJ-UHFFFAOYSA-N 1 0 383.348 1.400 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599106179 532005901 /nfs/dbraw/zinc/00/59/01/532005901.db2.gz AARHSMADHIYGMG-NWDGAFQWSA-N 1 0 378.248 1.776 20 5 GDBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000459747681 532026215 /nfs/dbraw/zinc/02/62/15/532026215.db2.gz CUVLFRSBMPCQBM-NWDGAFQWSA-N 1 0 378.166 1.703 20 5 GDBDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2[NH3+])cn1 ZINC000424396783 532092195 /nfs/dbraw/zinc/09/21/95/532092195.db2.gz YAYAWPATTNYNAH-WCQYABFASA-N 1 0 385.833 1.097 20 5 GDBDRO C[C@@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@H](C)C1 ZINC000286269352 532139556 /nfs/dbraw/zinc/13/95/56/532139556.db2.gz DXZAVIPJDUZUGV-NXEZZACHSA-N 1 0 395.840 1.463 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000376142488 532197132 /nfs/dbraw/zinc/19/71/32/532197132.db2.gz HPIHLGZJGSZUBH-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCCC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000430350134 532248181 /nfs/dbraw/zinc/24/81/81/532248181.db2.gz YMXOCRFCVPQBDW-UHFFFAOYSA-N 1 0 387.234 1.672 20 5 GDBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000289536891 532326848 /nfs/dbraw/zinc/32/68/48/532326848.db2.gz OZTFCVMIZUZNLE-QMMMGPOBSA-N 1 0 377.182 1.766 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736744928 598580112 /nfs/dbraw/zinc/58/01/12/598580112.db2.gz DCVCZISGOQSLDO-UHFFFAOYSA-N 1 0 388.432 1.130 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H](O)C[NH+]3CCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644717 599475090 /nfs/dbraw/zinc/47/50/90/599475090.db2.gz KTLIXNNBRQGERS-CYBMUJFWSA-N 1 0 398.427 1.582 20 5 GDBDRO C[NH+](C)C[C@H]1CN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821584843 599539166 /nfs/dbraw/zinc/53/91/66/599539166.db2.gz VBUXKSCWILJAKR-LBPRGKRZSA-N 1 0 384.400 1.090 20 5 GDBDRO CC[C@@H](O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820932568 599561050 /nfs/dbraw/zinc/56/10/50/599561050.db2.gz OTRCYLIAGGZTNW-CYBMUJFWSA-N 1 0 398.427 1.216 20 5 GDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821614737 606713509 /nfs/dbraw/zinc/71/35/09/606713509.db2.gz SLDUATRNFMNVTQ-CQSZACIVSA-N 1 0 380.412 1.881 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000823629576 607129605 /nfs/dbraw/zinc/12/96/05/607129605.db2.gz ALAQTJVRNAMLLI-DOTOQJQBSA-N 1 0 387.444 1.955 20 5 GDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826500740 609607816 /nfs/dbraw/zinc/60/78/16/609607816.db2.gz KQJIVHCTDJBVQC-HNNXBMFYSA-N 1 0 396.407 1.794 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000536686979 650277693 /nfs/dbraw/zinc/27/76/93/650277693.db2.gz QYVOCXKWZCBMOI-LBPRGKRZSA-N 1 0 391.515 1.997 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551495453 650607720 /nfs/dbraw/zinc/60/77/20/650607720.db2.gz YRTPBEDFVIORFO-SNVBAGLBSA-N 1 0 399.245 1.754 20 5 GDBDRO CSC1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000564411803 650757525 /nfs/dbraw/zinc/75/75/25/650757525.db2.gz ZTLSOBPMBUFWMH-UHFFFAOYSA-N 1 0 387.527 1.884 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000121232067 644678196 /nfs/dbraw/zinc/67/81/96/644678196.db2.gz LHRFUYYGNHXGFW-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000124827281 644710119 /nfs/dbraw/zinc/71/01/19/644710119.db2.gz CFGBCWQLKCZYDN-SECBINFHSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193396383 645050381 /nfs/dbraw/zinc/05/03/81/645050381.db2.gz URCOJGNZZPAZQJ-WPRPVWTQSA-N 1 0 378.248 1.634 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237318557 645084831 /nfs/dbraw/zinc/08/48/31/645084831.db2.gz RQLDLFGCYWTKCN-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000443081340 647179383 /nfs/dbraw/zinc/17/93/83/647179383.db2.gz PJPVKOBZWACBQC-UHFFFAOYSA-N 1 0 376.504 1.269 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000445546950 647269279 /nfs/dbraw/zinc/26/92/79/647269279.db2.gz FCAJUGHKXFTSRD-BDAKNGLRSA-N 1 0 378.248 1.906 20 5 GDBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000510967069 648346713 /nfs/dbraw/zinc/34/67/13/648346713.db2.gz LTJODMAFIRNANK-NSHDSACASA-N 1 0 375.422 1.895 20 5 GDBDRO C[N@@H+]1CC[C@@](O)(CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000514819262 648466959 /nfs/dbraw/zinc/46/69/59/648466959.db2.gz BSOKMSASCWMREC-CYBMUJFWSA-N 1 0 391.209 1.356 20 5 GDBDRO COc1ccc(CSCC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000574638646 651555422 /nfs/dbraw/zinc/55/54/22/651555422.db2.gz ALWDEPGNOHOIBL-ZDUSSCGKSA-N 1 0 375.397 1.950 20 5 GDBDRO O=C([C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Br)C1)N1CC[NH2+]CC1 ZINC000577165613 651711919 /nfs/dbraw/zinc/71/19/19/651711919.db2.gz PYHTWOPARGXTMF-NSHDSACASA-N 1 0 398.261 1.401 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579004731 651831642 /nfs/dbraw/zinc/83/16/42/651831642.db2.gz OTMYHZCMMDOKPX-SECBINFHSA-N 1 0 389.193 1.881 20 5 GDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592553982 652195013 /nfs/dbraw/zinc/19/50/13/652195013.db2.gz ZGDFVOMWDKKVIM-LBPRGKRZSA-N 1 0 387.845 1.704 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000594592835 652320224 /nfs/dbraw/zinc/32/02/24/652320224.db2.gz YTWMFXMEBJBPSP-DTORHVGOSA-N 1 0 376.198 1.768 20 5 GDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599832448 652516103 /nfs/dbraw/zinc/51/61/03/652516103.db2.gz ZSPJDLVWHAKLSK-OAHLLOKOSA-N 1 0 386.246 1.886 20 5 GDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977030 652520729 /nfs/dbraw/zinc/52/07/29/652520729.db2.gz GMRNKGUBIHVHFW-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000601380231 652573528 /nfs/dbraw/zinc/57/35/28/652573528.db2.gz KPZZOAOMCQFPIA-OLZOCXBDSA-N 1 0 377.463 1.708 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000601423977 652579628 /nfs/dbraw/zinc/57/96/28/652579628.db2.gz SHZQOXDSVMJLFX-UHFFFAOYSA-N 1 0 392.275 1.848 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000601450067 652583248 /nfs/dbraw/zinc/58/32/48/652583248.db2.gz HXAAXYYVQNIHLZ-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)c1 ZINC000768833428 654434378 /nfs/dbraw/zinc/43/43/78/654434378.db2.gz DUYZVFDIYOROSQ-UHFFFAOYSA-N 1 0 384.439 1.571 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000768881704 654439490 /nfs/dbraw/zinc/43/94/90/654439490.db2.gz JDVWJOIFKMNSNP-OCCSQVGLSA-N 1 0 388.515 1.303 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000747279936 654781586 /nfs/dbraw/zinc/78/15/86/654781586.db2.gz UVEMLPJWSJTYOO-UHFFFAOYSA-N 1 0 391.877 1.980 20 5 GDBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000701031908 654832231 /nfs/dbraw/zinc/83/22/31/654832231.db2.gz YYSMXCUHQVYUMU-LLVKDONJSA-N 1 0 375.166 1.667 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000841200451 655313794 /nfs/dbraw/zinc/31/37/94/655313794.db2.gz BUMFQLOUPDKFAU-JTQLQIEISA-N 1 0 385.218 1.458 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000842486306 655368298 /nfs/dbraw/zinc/36/82/98/655368298.db2.gz XBIIHZAUYBITLR-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843097412 655388292 /nfs/dbraw/zinc/38/82/92/655388292.db2.gz ZCQXACQVVRKQEZ-RISCZKNCSA-N 1 0 385.218 1.238 20 5 GDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855414961 655693777 /nfs/dbraw/zinc/69/37/77/655693777.db2.gz NXZWCWKEFVDYGZ-UHFFFAOYSA-N 1 0 388.266 1.366 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864608782 655903225 /nfs/dbraw/zinc/90/32/25/655903225.db2.gz MZGUITOSHXQOMC-UHFFFAOYSA-N 1 0 399.289 1.606 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c(Br)c1 ZINC000866826887 655967558 /nfs/dbraw/zinc/96/75/58/655967558.db2.gz DZBOVJWTIUOCKQ-VXGBXAGGSA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000867324399 656038205 /nfs/dbraw/zinc/03/82/05/656038205.db2.gz YDAIOUCEUXXIEW-UHFFFAOYSA-N 1 0 378.248 1.539 20 5 GDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000932835292 657227142 /nfs/dbraw/zinc/22/71/42/657227142.db2.gz KMQVNNOPNODYTG-LBPRGKRZSA-N 1 0 398.257 1.820 20 5 GDBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900803094 659147070 /nfs/dbraw/zinc/14/70/70/659147070.db2.gz HJQJWSFAUXVSDS-ZWNOBZJWSA-N 1 0 385.262 1.721 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)ccc1Br ZINC000903592101 659356757 /nfs/dbraw/zinc/35/67/57/659356757.db2.gz BNIQKKGTAZFUNU-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164750950 720958552 /nfs/dbraw/zinc/95/85/52/720958552.db2.gz NOQZGZVJGJBGJE-UHFFFAOYSA-N 1 0 399.411 1.313 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871035 721046497 /nfs/dbraw/zinc/04/64/97/721046497.db2.gz XZSKRQCIWUCTTP-KGLIPLIRSA-N 1 0 390.831 1.913 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865949 721089349 /nfs/dbraw/zinc/08/93/49/721089349.db2.gz QEWDELGHKSJCIA-LSDHHAIUSA-N 1 0 386.412 1.268 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764034 721132071 /nfs/dbraw/zinc/13/20/71/721132071.db2.gz GPXRIXBWGLUCEJ-HUUCEWRRSA-N 1 0 387.444 1.394 20 5 GDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)n1 ZINC001164796857 721515343 /nfs/dbraw/zinc/51/53/43/721515343.db2.gz FFWMZEBZCGOYHO-UHFFFAOYSA-N 1 0 385.472 1.571 20 5 GDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164928034 721851759 /nfs/dbraw/zinc/85/17/59/721851759.db2.gz MRPLAVDUGIAGNJ-MNOVXSKESA-N 1 0 386.909 1.975 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)n1 ZINC001165000944 722253112 /nfs/dbraw/zinc/25/31/12/722253112.db2.gz XAFZPANKNPIAQV-UHFFFAOYSA-N 1 0 375.433 1.378 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000158924876 530537811 /nfs/dbraw/zinc/53/78/11/530537811.db2.gz RAIYLBKJIMXMED-GFCCVEGCSA-N 1 0 391.877 1.682 20 5 GDBDRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000161653314 530562964 /nfs/dbraw/zinc/56/29/64/530562964.db2.gz PMUGFMGVOAAASL-CYBMUJFWSA-N 1 0 375.422 1.105 20 5 GDBDRO CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1CCOC ZINC000166016886 530581715 /nfs/dbraw/zinc/58/17/15/530581715.db2.gz LYUYKHJLNCETRX-LBPRGKRZSA-N 1 0 377.488 1.778 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000178947880 530732244 /nfs/dbraw/zinc/73/22/44/530732244.db2.gz QUZQCMPSYGMHGZ-SECBINFHSA-N 1 0 378.248 1.648 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000117923662 530915052 /nfs/dbraw/zinc/91/50/52/530915052.db2.gz LXTFGDZGIIAKRA-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO CC[NH+](CC)CCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000193377952 530985321 /nfs/dbraw/zinc/98/53/21/530985321.db2.gz RWLBHHKTSRDUIF-ZDUSSCGKSA-N 1 0 389.499 1.627 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000122423990 530971605 /nfs/dbraw/zinc/97/16/05/530971605.db2.gz BZRQGLPDIPKYBN-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236626730 531038412 /nfs/dbraw/zinc/03/84/12/531038412.db2.gz UNHWRGMWNOORLC-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237828426 531050663 /nfs/dbraw/zinc/05/06/63/531050663.db2.gz KBAQJQZFDXJONQ-UHFFFAOYSA-N 1 0 377.850 1.767 20 5 GDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261949449 531103496 /nfs/dbraw/zinc/10/34/96/531103496.db2.gz WCNXZSSIJRUSAR-CYBMUJFWSA-N 1 0 383.246 1.477 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000150880526 531130567 /nfs/dbraw/zinc/13/05/67/531130567.db2.gz FETUUOYYGVXURP-LBPRGKRZSA-N 1 0 379.866 1.883 20 5 GDBDRO Cc1sc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000472735956 531239232 /nfs/dbraw/zinc/23/92/32/531239232.db2.gz MRJCUPNWPGXYKA-NSHDSACASA-N 1 0 376.504 1.269 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[NH2+]1 ZINC000474185806 531271308 /nfs/dbraw/zinc/27/13/08/531271308.db2.gz SDNYNULCOZAEBD-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277688358 531303692 /nfs/dbraw/zinc/30/36/92/531303692.db2.gz HFNFZQBPLMSNAX-GFCCVEGCSA-N 1 0 375.422 1.513 20 5 GDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440405363 531337059 /nfs/dbraw/zinc/33/70/59/531337059.db2.gz HBOXTPLFMNRKLR-QPUJVOFHSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000440336779 531333517 /nfs/dbraw/zinc/33/35/17/531333517.db2.gz DVXPAQFVBUKXCR-UHFFFAOYSA-N 1 0 378.248 1.906 20 5 GDBDRO COc1c(S(=O)(=O)NC[C@H](C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000440838483 531347486 /nfs/dbraw/zinc/34/74/86/531347486.db2.gz RNWPVLWWDCUZCK-SSDOTTSWSA-N 1 0 396.263 1.547 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440841727 531347574 /nfs/dbraw/zinc/34/75/74/531347574.db2.gz IBJYKQJPIQRCOO-VIFPVBQESA-N 1 0 378.248 1.554 20 5 GDBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000440840877 531346928 /nfs/dbraw/zinc/34/69/28/531346928.db2.gz BZNIWGRFQPVUOE-UHFFFAOYSA-N 1 0 375.422 1.753 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447244268 531422006 /nfs/dbraw/zinc/42/20/06/531422006.db2.gz KLAVPWOSUQYSNS-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000449755283 531476294 /nfs/dbraw/zinc/47/62/94/531476294.db2.gz NTSXSMPZOCUYHI-KOLCDFICSA-N 1 0 389.193 1.943 20 5 GDBDRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000415347696 531477592 /nfs/dbraw/zinc/47/75/92/531477592.db2.gz JEJRWXBMIXKFBH-ZJUUUORDSA-N 1 0 399.245 1.800 20 5 GDBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449602962 531472930 /nfs/dbraw/zinc/47/29/30/531472930.db2.gz PUVXFFIPLIQOIC-MRVPVSSYSA-N 1 0 377.182 1.814 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415577791 531497518 /nfs/dbraw/zinc/49/75/18/531497518.db2.gz ZEWFBOUJJIDBDN-DTWKUNHWSA-N 1 0 399.245 1.813 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604543 531510504 /nfs/dbraw/zinc/51/05/04/531510504.db2.gz BMIVOEUHCDDRBN-OPRDCNLKSA-N 1 0 376.257 1.825 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000268828499 531574762 /nfs/dbraw/zinc/57/47/62/531574762.db2.gz ROQWRDQFECTTGC-UHFFFAOYSA-N 1 0 385.262 1.958 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269482363 531677204 /nfs/dbraw/zinc/67/72/04/531677204.db2.gz OTVUHCVEVCIGGV-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590551087 531690200 /nfs/dbraw/zinc/69/02/00/531690200.db2.gz WKNPZLODMCAWFO-KBPBESRZSA-N 1 0 398.257 1.567 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000451925189 531715686 /nfs/dbraw/zinc/71/56/86/531715686.db2.gz FVSMRRGAUXVLKE-QMMMGPOBSA-N 1 0 380.264 1.894 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366309638 531735169 /nfs/dbraw/zinc/73/51/69/531735169.db2.gz OJJAYGHCQLHZPO-GXSJLCMTSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591686178 531736653 /nfs/dbraw/zinc/73/66/53/531736653.db2.gz OPGZYQCJNBKFDI-WPRPVWTQSA-N 1 0 393.156 1.629 20 5 GDBDRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000269851800 531784153 /nfs/dbraw/zinc/78/41/53/531784153.db2.gz QZGVWLSWAAILOE-UHFFFAOYSA-N 1 0 375.422 1.248 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000367066022 531805140 /nfs/dbraw/zinc/80/51/40/531805140.db2.gz HWFIOIOSWXPBFS-UWVGGRQHSA-N 1 0 396.238 1.678 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000367162359 531816472 /nfs/dbraw/zinc/81/64/72/531816472.db2.gz AJNIGQOTVWCNEM-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594385551 531851441 /nfs/dbraw/zinc/85/14/41/531851441.db2.gz GUBVPVBMKMWVNZ-NWDGAFQWSA-N 1 0 384.230 1.557 20 5 GDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000298395104 531883597 /nfs/dbraw/zinc/88/35/97/531883597.db2.gz LPABZCWXLHHEFB-UXIGCNINSA-N 1 0 389.499 1.372 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000270596738 531899289 /nfs/dbraw/zinc/89/92/89/531899289.db2.gz VDZKLKUHYSBTEA-OLZOCXBDSA-N 1 0 375.472 1.270 20 5 GDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270982207 531951984 /nfs/dbraw/zinc/95/19/84/531951984.db2.gz SBWXNVJYBQPZQA-GFCCVEGCSA-N 1 0 398.261 1.495 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000599101093 532005190 /nfs/dbraw/zinc/00/51/90/532005190.db2.gz MFZHXERFOGUUJV-AAEUAGOBSA-N 1 0 381.376 1.884 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420447639 532014676 /nfs/dbraw/zinc/01/46/76/532014676.db2.gz JYFVBGGTBPWOOZ-SCZZXKLOSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Br)c1 ZINC000576509155 532024851 /nfs/dbraw/zinc/02/48/51/532024851.db2.gz REROTTNDXAIZRO-SMDDNHRTSA-N 1 0 399.245 1.972 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371775810 532025880 /nfs/dbraw/zinc/02/58/80/532025880.db2.gz DYHQGCLLAZICOC-VXGBXAGGSA-N 1 0 384.230 1.950 20 5 GDBDRO COc1ccc(S(=O)(=O)N2CCN(CCCCF)CC2)cc1[N+](=O)[O-] ZINC000285116363 532032812 /nfs/dbraw/zinc/03/28/12/532032812.db2.gz IENRIZLHEOFEQN-UHFFFAOYSA-N 1 0 375.422 1.659 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000600669916 532049942 /nfs/dbraw/zinc/04/99/42/532049942.db2.gz WGMMXCKWDVRAKO-ITGUQSILSA-N 1 0 390.259 1.538 20 5 GDBDRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])C2)CC1 ZINC000601339757 532062171 /nfs/dbraw/zinc/06/21/71/532062171.db2.gz GYWQIDSSXVPFFJ-CYBMUJFWSA-N 1 0 388.515 1.365 20 5 GDBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(Br)cc3[N+](=O)[O-])CC2)N1 ZINC000425427691 532139191 /nfs/dbraw/zinc/13/91/91/532139191.db2.gz YVEKWNVPZIHUFE-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427923978 532193695 /nfs/dbraw/zinc/19/36/95/532193695.db2.gz IHHPHJYKJDVRCP-NOZJJQNGSA-N 1 0 390.259 1.730 20 5 GDBDRO CN1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000390859193 532297786 /nfs/dbraw/zinc/29/77/86/532297786.db2.gz JWNJJDKHIQRGQJ-NSHDSACASA-N 1 0 380.246 1.985 20 5 GDBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289453477 532324940 /nfs/dbraw/zinc/32/49/40/532324940.db2.gz VCBFTCPAQJNNKT-QPUJVOFHSA-N 1 0 389.193 1.814 20 5 GDBDRO CS[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275876820 532313541 /nfs/dbraw/zinc/31/35/41/532313541.db2.gz WDBIPSNXYNNUDG-OLZOCXBDSA-N 1 0 386.499 1.258 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000289569252 532328327 /nfs/dbraw/zinc/32/83/27/532328327.db2.gz RRXCYGQBFBHKQX-GFCCVEGCSA-N 1 0 378.166 1.440 20 5 GDBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821614895 599081365 /nfs/dbraw/zinc/08/13/65/599081365.db2.gz YXFOWJARMIXIKA-AWEZNQCLSA-N 1 0 380.412 1.881 20 5 GDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736860502 598427084 /nfs/dbraw/zinc/42/70/84/598427084.db2.gz RPFYYXVRAHFYHV-OAHLLOKOSA-N 1 0 386.460 1.381 20 5 GDBDRO COCC[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000821691304 599535179 /nfs/dbraw/zinc/53/51/79/599535179.db2.gz PLPDMLNDBVNXGH-GFCCVEGCSA-N 1 0 398.427 1.480 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCCO)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823643817 606126713 /nfs/dbraw/zinc/12/67/13/606126713.db2.gz CBVLXPJZRZYNCM-UHFFFAOYSA-N 1 0 398.427 1.218 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000823621178 606698601 /nfs/dbraw/zinc/69/86/01/606698601.db2.gz YFCWUVAJNILBPH-UHFFFAOYSA-N 1 0 390.473 1.943 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823640130 606844810 /nfs/dbraw/zinc/84/48/10/606844810.db2.gz UQRZUPRFJDNTBN-SFHVURJKSA-N 1 0 395.423 1.631 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000826501025 607849847 /nfs/dbraw/zinc/84/98/47/607849847.db2.gz WFRGRUUQOODMTK-AWEZNQCLSA-N 1 0 388.432 1.251 20 5 GDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826499331 608531629 /nfs/dbraw/zinc/53/16/29/608531629.db2.gz FBYMXGVPCMRREO-INIZCTEOSA-N 1 0 396.407 1.794 20 5 GDBDRO C[C@@H](F)CCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000549232631 650572929 /nfs/dbraw/zinc/57/29/29/650572929.db2.gz KKTDYEQNOLMEOQ-GFCCVEGCSA-N 1 0 376.454 1.985 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)[C@@H]2CCOC2)c1 ZINC000567002860 650879275 /nfs/dbraw/zinc/87/92/75/650879275.db2.gz KGLCUOPKZUXDEW-ZWNOBZJWSA-N 1 0 392.193 1.686 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(F)c(F)cc2Br)c1 ZINC000567262798 650896617 /nfs/dbraw/zinc/89/66/17/650896617.db2.gz APNQEBFBMYOOCX-JTQLQIEISA-N 1 0 391.172 1.983 20 5 GDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000193329691 645049315 /nfs/dbraw/zinc/04/93/15/645049315.db2.gz TUEUHNYSVGYWNR-SECBINFHSA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000237826979 645088007 /nfs/dbraw/zinc/08/80/07/645088007.db2.gz UILHPFKXFUFFSP-UHFFFAOYSA-N 1 0 377.850 1.767 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262798953 645139506 /nfs/dbraw/zinc/13/95/06/645139506.db2.gz UXXAWHFMHSIXOD-WCBMZHEXSA-N 1 0 378.248 1.634 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000368632092 645621932 /nfs/dbraw/zinc/62/19/32/645621932.db2.gz KBCZOJNOMUHANV-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000916661853 660198276 /nfs/dbraw/zinc/19/82/76/660198276.db2.gz HLNRFIVLDQEFME-ZJUUUORDSA-N 1 0 377.825 1.960 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000440446892 646244128 /nfs/dbraw/zinc/24/41/28/646244128.db2.gz VDLKOYIBQIVNAB-PRHODGIISA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000440446894 646244213 /nfs/dbraw/zinc/24/42/13/646244213.db2.gz VDLKOYIBQIVNAB-QPUJVOFHSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000578867144 651820540 /nfs/dbraw/zinc/82/05/40/651820540.db2.gz JKKXSXFWBLXFIN-NXEZZACHSA-N 1 0 390.259 1.587 20 5 GDBDRO COc1ccc(Br)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579669408 651875382 /nfs/dbraw/zinc/87/53/82/651875382.db2.gz WVNFKQWRVSBDMY-LBPRGKRZSA-N 1 0 385.218 1.713 20 5 GDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591304201 652160662 /nfs/dbraw/zinc/16/06/62/652160662.db2.gz SFLDBQMIRPUQEI-NOZJJQNGSA-N 1 0 399.245 1.882 20 5 GDBDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000591303549 652160756 /nfs/dbraw/zinc/16/07/56/652160756.db2.gz JXGNOKISIACVOB-CYBMUJFWSA-N 1 0 399.245 1.752 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592392593 652188924 /nfs/dbraw/zinc/18/89/24/652188924.db2.gz RGNZLFRLLWGSAI-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000594820334 652373257 /nfs/dbraw/zinc/37/32/57/652373257.db2.gz BRFMNHAXARBNRJ-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595404094 652417662 /nfs/dbraw/zinc/41/76/62/652417662.db2.gz SUVMFOLYDAXQJN-LBPRGKRZSA-N 1 0 389.499 1.920 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599899995 652517524 /nfs/dbraw/zinc/51/75/24/652517524.db2.gz OIGVLKCCQUVQGD-NWDGAFQWSA-N 1 0 385.218 1.553 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602597580 652642699 /nfs/dbraw/zinc/64/26/99/652642699.db2.gz VMOHSOYJAJIKNC-OIBJUYFYSA-N 1 0 375.166 1.761 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000612576095 652938961 /nfs/dbraw/zinc/93/89/61/652938961.db2.gz FYRRMJAAFIJWLA-NSHDSACASA-N 1 0 381.376 1.595 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768865065 654437896 /nfs/dbraw/zinc/43/78/96/654437896.db2.gz YOZMSPORSAGBLU-RAIGVLPGSA-N 1 0 375.472 1.529 20 5 GDBDRO CSCC[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000736296334 654591204 /nfs/dbraw/zinc/59/12/04/654591204.db2.gz FNPAQPKJOHSMKC-GFCCVEGCSA-N 1 0 390.531 1.988 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746644912 654766070 /nfs/dbraw/zinc/76/60/70/654766070.db2.gz CUXHGVZOMQXBCI-WXHSDQCUSA-N 1 0 388.266 1.695 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)ccc1Br ZINC000754791387 654980099 /nfs/dbraw/zinc/98/00/99/654980099.db2.gz FIJDVIIRISEKAF-VIFPVBQESA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810369460 655157181 /nfs/dbraw/zinc/15/71/81/655157181.db2.gz SFKZSTLJLQIQAS-SNVBAGLBSA-N 1 0 399.245 1.896 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000813738244 655244073 /nfs/dbraw/zinc/24/40/73/655244073.db2.gz DYJDHTWPIYYXGR-CABZTGNLSA-N 1 0 390.259 1.682 20 5 GDBDRO CN(CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1cc(Br)ccc1[N+](=O)[O-] ZINC000814145250 655257429 /nfs/dbraw/zinc/25/74/29/655257429.db2.gz MHAZBHDKYDVOPA-NHYWBVRUSA-N 1 0 397.273 1.956 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000841207186 655313997 /nfs/dbraw/zinc/31/39/97/655313997.db2.gz HXMWVTNLJSPJAN-ZJUUUORDSA-N 1 0 399.245 1.813 20 5 GDBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841275940 655318541 /nfs/dbraw/zinc/31/85/41/655318541.db2.gz KIMCIXWKAFWPRZ-NXEZZACHSA-N 1 0 399.245 1.739 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1[NH3+] ZINC000842720575 655373396 /nfs/dbraw/zinc/37/33/96/655373396.db2.gz XSTRMQRHTQEJMW-GZMMTYOYSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccc1Br ZINC000842748426 655375042 /nfs/dbraw/zinc/37/50/42/655375042.db2.gz OZQJEGYXUZKXIM-JTQLQIEISA-N 1 0 390.259 1.872 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818594845 655376943 /nfs/dbraw/zinc/37/69/43/655376943.db2.gz ZJJHFKTXJCXEBK-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842847985 655380711 /nfs/dbraw/zinc/38/07/11/655380711.db2.gz NYTCCYRXIBAOGT-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000843076181 655387986 /nfs/dbraw/zinc/38/79/86/655387986.db2.gz RNJCAVJFEQGNFU-FZMZJTMJSA-N 1 0 375.212 1.782 20 5 GDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000850591322 655559480 /nfs/dbraw/zinc/55/94/80/655559480.db2.gz QXMJQSQBSYHPQV-UHFFFAOYSA-N 1 0 376.232 1.469 20 5 GDBDRO CN(CC1C[NH+](C)C1)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000855641602 655698583 /nfs/dbraw/zinc/69/85/83/655698583.db2.gz OIJITRCTRQYYPX-UHFFFAOYSA-N 1 0 385.262 1.814 20 5 GDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[NH2+]1 ZINC000858633047 655751681 /nfs/dbraw/zinc/75/16/81/655751681.db2.gz VTZJMLDUUABGQT-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343189 656151224 /nfs/dbraw/zinc/15/12/24/656151224.db2.gz GWKGNYKVVQLBNR-STQMWFEESA-N 1 0 398.257 1.567 20 5 GDBDRO O=C(COc1ccc(Br)nc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000871693305 656276904 /nfs/dbraw/zinc/27/69/04/656276904.db2.gz KWWVARQHFUAOGG-UHFFFAOYSA-N 1 0 399.245 1.874 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ccc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170398 656658362 /nfs/dbraw/zinc/65/83/62/656658362.db2.gz NBFSMMATOQLILD-DTORHVGOSA-N 1 0 387.177 1.776 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(CN3CC[NH2+]CC3)nn2)c1 ZINC000900595938 659125272 /nfs/dbraw/zinc/12/52/72/659125272.db2.gz VUUQKQOIBYCJID-UHFFFAOYSA-N 1 0 381.234 1.402 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(OC(C)C)n1)CC2 ZINC001164689831 719744537 /nfs/dbraw/zinc/74/45/37/719744537.db2.gz LCTLDXDDSVOBHB-UHFFFAOYSA-N 1 0 391.472 1.958 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001164833411 720324856 /nfs/dbraw/zinc/32/48/56/720324856.db2.gz WYIWBJWJBUDDBP-CABCVRRESA-N 1 0 388.472 1.484 20 5 GDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164745334 720801058 /nfs/dbraw/zinc/80/10/58/720801058.db2.gz JYZIOICLAMHPLY-KGLIPLIRSA-N 1 0 393.407 1.670 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@H]2C1 ZINC001164852963 720886637 /nfs/dbraw/zinc/88/66/37/720886637.db2.gz ARIRMEZZKXYNEX-YOEHRIQHSA-N 1 0 387.440 1.712 20 5 GDBDRO COc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164866132 721080644 /nfs/dbraw/zinc/08/06/44/721080644.db2.gz RJHCFLKZWRLWDF-RDJZCZTQSA-N 1 0 385.424 1.873 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865948 721088950 /nfs/dbraw/zinc/08/89/50/721088950.db2.gz QEWDELGHKSJCIA-HUUCEWRRSA-N 1 0 386.412 1.268 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892221 721392872 /nfs/dbraw/zinc/39/28/72/721392872.db2.gz SEOSTPFHNYGUPR-LPHOPBHVSA-N 1 0 375.473 1.755 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884485 721406092 /nfs/dbraw/zinc/40/60/92/721406092.db2.gz DIUGVAAKFXWIJC-VQIMIIECSA-N 1 0 390.488 1.459 20 5 GDBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001164787554 721439553 /nfs/dbraw/zinc/43/95/53/721439553.db2.gz XQXGKKCKNUALMW-CHWSQXEVSA-N 1 0 387.469 1.096 20 5 GDBDRO COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591652723 1126216623 /nfs/dbraw/zinc/21/66/23/1126216623.db2.gz IFMPHTKYFLPPEI-IBGZPJMESA-N 1 0 398.423 1.867 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000106895332 530851556 /nfs/dbraw/zinc/85/15/56/530851556.db2.gz WNIKMPSBCHRNME-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185337747 530840491 /nfs/dbraw/zinc/84/04/91/530840491.db2.gz HHEZUHGFKXDSNO-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[N@@H+]1CCCOCC1 ZINC000189379969 530911774 /nfs/dbraw/zinc/91/17/74/530911774.db2.gz AAJGXJVKTQULDG-UHFFFAOYSA-N 1 0 386.246 1.738 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCc2nccs2)c([N+](=O)[O-])c1 ZINC000112074714 530877930 /nfs/dbraw/zinc/87/79/30/530877930.db2.gz PYXLHKHHOIKSML-UHFFFAOYSA-N 1 0 385.471 1.503 20 5 GDBDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123450429 530983539 /nfs/dbraw/zinc/98/35/39/530983539.db2.gz MGWLXANEWRJFLJ-VCTAVGKDSA-N 1 0 399.245 1.626 20 5 GDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCN(C)CC1 ZINC000122458544 530972114 /nfs/dbraw/zinc/97/21/14/530972114.db2.gz QDDNBJRSDVTJLP-GFCCVEGCSA-N 1 0 399.289 1.971 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000125632279 531008512 /nfs/dbraw/zinc/00/85/12/531008512.db2.gz UCQRUPWHHYOQSN-VIFPVBQESA-N 1 0 389.193 1.881 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000125056738 531002278 /nfs/dbraw/zinc/00/22/78/531002278.db2.gz ZJDVPGRCQHSFAC-KWQFWETISA-N 1 0 383.348 1.350 20 5 GDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237328338 531045664 /nfs/dbraw/zinc/04/56/64/531045664.db2.gz IHYURFCGGVDTFZ-MRVPVSSYSA-N 1 0 377.182 1.785 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237725919 531049220 /nfs/dbraw/zinc/04/92/20/531049220.db2.gz ZALXLNFBJJBMQE-NSHDSACASA-N 1 0 378.248 1.681 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000129576861 531052967 /nfs/dbraw/zinc/05/29/67/531052967.db2.gz VFAGTRQPLLPUHN-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000156207910 531204338 /nfs/dbraw/zinc/20/43/38/531204338.db2.gz PWPWOAXTBAHUMJ-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000440404321 531336887 /nfs/dbraw/zinc/33/68/87/531336887.db2.gz FUNATLKSOAXOKX-ZJUUUORDSA-N 1 0 390.259 1.872 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000440433783 531338786 /nfs/dbraw/zinc/33/87/86/531338786.db2.gz ONMGUTUFSKXJHH-NSHDSACASA-N 1 0 390.259 1.872 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000440339277 531334013 /nfs/dbraw/zinc/33/40/13/531334013.db2.gz HLBCYBPXHIPIQA-ZACCUICWSA-N 1 0 390.259 1.919 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447054669 531414257 /nfs/dbraw/zinc/41/42/57/531414257.db2.gz PICAWSOJAMWPQL-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267493793 531429407 /nfs/dbraw/zinc/42/94/07/531429407.db2.gz XULMOJFXVXKXLU-GFCCVEGCSA-N 1 0 399.245 1.427 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000267852231 531457037 /nfs/dbraw/zinc/45/70/37/531457037.db2.gz FZCPEQLEMZYZEO-LBPRGKRZSA-N 1 0 375.447 1.239 20 5 GDBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415403881 531483185 /nfs/dbraw/zinc/48/31/85/531483185.db2.gz AMCRYYZACBCCTO-JTQLQIEISA-N 1 0 399.245 1.802 20 5 GDBDRO COc1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000268247085 531488431 /nfs/dbraw/zinc/48/84/31/531488431.db2.gz JAIYPXVBGJGEPW-CQSZACIVSA-N 1 0 375.472 1.319 20 5 GDBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415692616 531515301 /nfs/dbraw/zinc/51/53/01/531515301.db2.gz RXKBDBDNQSWAIT-SNVBAGLBSA-N 1 0 399.245 1.883 20 5 GDBDRO CC1(C)CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415823673 531537199 /nfs/dbraw/zinc/53/71/99/531537199.db2.gz RCMPBHNEVGGDLM-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000490742499 531543238 /nfs/dbraw/zinc/54/32/38/531543238.db2.gz LLUHVYNZTOTPNP-LLVKDONJSA-N 1 0 375.422 1.753 20 5 GDBDRO C[C@H](O)C[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558469733 531561858 /nfs/dbraw/zinc/56/18/58/531561858.db2.gz FVQZMZCZMBRGJU-VIFPVBQESA-N 1 0 380.182 1.375 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000281071385 531575667 /nfs/dbraw/zinc/57/56/67/531575667.db2.gz KTKIITRVNVEYSY-SNVBAGLBSA-N 1 0 399.245 1.672 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000281162013 531587570 /nfs/dbraw/zinc/58/75/70/531587570.db2.gz PTJNKNNLYHUWMR-UHFFFAOYSA-N 1 0 399.245 1.768 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590282190 531687727 /nfs/dbraw/zinc/68/77/27/531687727.db2.gz STMJHRYVXIKIGW-RNCFNFMXSA-N 1 0 397.229 1.458 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000366318667 531735909 /nfs/dbraw/zinc/73/59/09/531735909.db2.gz FZMYCJSXCSPOEA-BXKDBHETSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC2CC[NH2+]CC2)c1 ZINC000592365434 531781905 /nfs/dbraw/zinc/78/19/05/531781905.db2.gz SKTMKBPBGJJXGF-UHFFFAOYSA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH+](C)CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000298634641 531905458 /nfs/dbraw/zinc/90/54/58/531905458.db2.gz HTWWEMAWTPRPRK-GFCCVEGCSA-N 1 0 375.472 1.237 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000568748390 531917055 /nfs/dbraw/zinc/91/70/55/531917055.db2.gz NXTZZOBIQKEDBZ-LBPRGKRZSA-N 1 0 389.193 1.975 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)c1 ZINC000598990218 532001712 /nfs/dbraw/zinc/00/17/12/532001712.db2.gz KRQJVCLMROWKIB-OLZOCXBDSA-N 1 0 392.193 1.829 20 5 GDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Br)c1 ZINC000576509153 532024760 /nfs/dbraw/zinc/02/47/60/532024760.db2.gz REROTTNDXAIZRO-FZMZJTMJSA-N 1 0 399.245 1.972 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000324807770 532074619 /nfs/dbraw/zinc/07/46/19/532074619.db2.gz RJESMKXAJQTSAO-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000331770825 532152332 /nfs/dbraw/zinc/15/23/32/532152332.db2.gz ANUFHEZIPDKPDH-TVQRCGJNSA-N 1 0 390.259 1.730 20 5 GDBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289453478 532325122 /nfs/dbraw/zinc/32/51/22/532325122.db2.gz VCBFTCPAQJNNKT-UFBFGSQYSA-N 1 0 389.193 1.814 20 5 GDBDRO COc1ccc(OCC[NH+]2CCC(O)(CN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000359999960 206278215 /nfs/dbraw/zinc/27/82/15/206278215.db2.gz PYEMXNVZPRWJAG-UHFFFAOYSA-N 1 0 395.456 1.141 20 5 GDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)n1 ZINC000823647494 606188964 /nfs/dbraw/zinc/18/89/64/606188964.db2.gz KWXYMZHLPYUCEE-UHFFFAOYSA-N 1 0 384.400 1.515 20 5 GDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821625918 606645377 /nfs/dbraw/zinc/64/53/77/606645377.db2.gz YLFIHKIHZKJRBY-OAHLLOKOSA-N 1 0 386.460 1.381 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@@H]1CC ZINC000825599409 607841120 /nfs/dbraw/zinc/84/11/20/607841120.db2.gz LTEGZYXDOVNABA-ZDUSSCGKSA-N 1 0 375.433 1.712 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)[C@H]2CCOC2)c1 ZINC000567002857 650878818 /nfs/dbraw/zinc/87/88/18/650878818.db2.gz KGLCUOPKZUXDEW-GWCFXTLKSA-N 1 0 392.193 1.686 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000049559310 644396179 /nfs/dbraw/zinc/39/61/79/644396179.db2.gz XMRZRNINBZPCJT-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000568087759 650936738 /nfs/dbraw/zinc/93/67/38/650936738.db2.gz SVMUZIBFGWRROU-NSHDSACASA-N 1 0 389.861 1.624 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000123243033 644694409 /nfs/dbraw/zinc/69/44/09/644694409.db2.gz VXHYJFIATRHOQV-GHMZBOCLSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000125115072 644711855 /nfs/dbraw/zinc/71/18/55/644711855.db2.gz RJCKXFGPHHDCJE-BDAKNGLRSA-N 1 0 378.248 1.858 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193411642 645050780 /nfs/dbraw/zinc/05/07/80/645050780.db2.gz MNYGHXFCRKMLTI-WPRPVWTQSA-N 1 0 378.248 1.634 20 5 GDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2cc(Br)cn2)c1 ZINC000568859362 650974308 /nfs/dbraw/zinc/97/43/08/650974308.db2.gz IMXALGDAJCVAKD-ZDUSSCGKSA-N 1 0 385.218 1.583 20 5 GDBDRO [NH3+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000238036600 645089720 /nfs/dbraw/zinc/08/97/20/645089720.db2.gz UKVJVXJLSWVORD-UHFFFAOYSA-N 1 0 378.248 1.717 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000569458672 651001207 /nfs/dbraw/zinc/00/12/07/651001207.db2.gz OHXZPGMORUSZDU-ZDUSSCGKSA-N 1 0 384.889 1.846 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331321867 645498662 /nfs/dbraw/zinc/49/86/62/645498662.db2.gz KNWAIJZBAPQOFW-ZDUSSCGKSA-N 1 0 385.262 1.262 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000378007584 645861022 /nfs/dbraw/zinc/86/10/22/645861022.db2.gz UAFYXLSWUVBOOT-NXEZZACHSA-N 1 0 379.360 1.844 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000420474075 645943857 /nfs/dbraw/zinc/94/38/57/645943857.db2.gz FBKLEQXDJGFEFU-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000443496484 647211366 /nfs/dbraw/zinc/21/13/66/647211366.db2.gz BMLYIILBFHVUMQ-UHFFFAOYSA-N 1 0 391.877 1.762 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H]2CCCS2)c([N+](=O)[O-])c1 ZINC000465060342 647592222 /nfs/dbraw/zinc/59/22/22/647592222.db2.gz YLGNJLBRNDABJZ-LBPRGKRZSA-N 1 0 388.515 1.742 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000571459982 651077362 /nfs/dbraw/zinc/07/73/62/651077362.db2.gz HOOVAEFIUJDJRC-DTWKUNHWSA-N 1 0 378.248 1.858 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000574419336 651540866 /nfs/dbraw/zinc/54/08/66/651540866.db2.gz HKBOFGUPVODHKC-JTQLQIEISA-N 1 0 399.245 1.706 20 5 GDBDRO COc1ccc(CSCC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000574638645 651555494 /nfs/dbraw/zinc/55/54/94/651555494.db2.gz ALWDEPGNOHOIBL-CYBMUJFWSA-N 1 0 375.397 1.950 20 5 GDBDRO CO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000580828275 651942557 /nfs/dbraw/zinc/94/25/57/651942557.db2.gz BMRROTXJTGRVMB-STQMWFEESA-N 1 0 386.246 1.865 20 5 GDBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000582904192 652020394 /nfs/dbraw/zinc/02/03/94/652020394.db2.gz GEGFKFIPPDKRKD-QMMMGPOBSA-N 1 0 377.182 1.975 20 5 GDBDRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000593764878 652247451 /nfs/dbraw/zinc/24/74/51/652247451.db2.gz DCCGMBVEWGPAOE-UHFFFAOYSA-N 1 0 399.245 1.802 20 5 GDBDRO [NH3+]CC1(CCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000593766421 652247523 /nfs/dbraw/zinc/24/75/23/652247523.db2.gz IVKZQWWPRLWYHF-UHFFFAOYSA-N 1 0 385.218 1.541 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595385191 652415874 /nfs/dbraw/zinc/41/58/74/652415874.db2.gz VQHPJLMVMIZJEU-LBPRGKRZSA-N 1 0 375.472 1.184 20 5 GDBDRO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593227 652642322 /nfs/dbraw/zinc/64/23/22/652642322.db2.gz YDIBPWMLRULOBO-PHIMTYICSA-N 1 0 387.177 1.776 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751000355 654867644 /nfs/dbraw/zinc/86/76/44/654867644.db2.gz YYDXPMBORMFUSK-NWDGAFQWSA-N 1 0 384.230 1.950 20 5 GDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000758587479 655065970 /nfs/dbraw/zinc/06/59/70/655065970.db2.gz LARUHXRJBSETET-UHFFFAOYSA-N 1 0 377.438 1.679 20 5 GDBDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000808424412 655108978 /nfs/dbraw/zinc/10/89/78/655108978.db2.gz DALPGLALPPECFN-GFCCVEGCSA-N 1 0 376.866 1.609 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000813730240 655243624 /nfs/dbraw/zinc/24/36/24/655243624.db2.gz POWZTEDBESVBSA-QMMMGPOBSA-N 1 0 398.254 1.972 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+](C)C ZINC000813728234 655243680 /nfs/dbraw/zinc/24/36/80/655243680.db2.gz AKUAVNYMEWXPPT-SECBINFHSA-N 1 0 380.264 1.833 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000813738429 655244415 /nfs/dbraw/zinc/24/44/15/655244415.db2.gz HKWLQSVZKDWWQQ-RNCFNFMXSA-N 1 0 390.259 1.682 20 5 GDBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000798161979 655255295 /nfs/dbraw/zinc/25/52/95/655255295.db2.gz NRIXRSVBCXXRDR-UHFFFAOYSA-N 1 0 387.234 1.595 20 5 GDBDRO COC(=O)[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000839629946 655258264 /nfs/dbraw/zinc/25/82/64/655258264.db2.gz DXTADLGGSOWMKL-GFCCVEGCSA-N 1 0 386.246 1.894 20 5 GDBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000841160967 655311189 /nfs/dbraw/zinc/31/11/89/655311189.db2.gz KABJKAMOMQRNPW-ZJUUUORDSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841180301 655312402 /nfs/dbraw/zinc/31/24/02/655312402.db2.gz XEFZLQKJCXYGMN-KWQFWETISA-N 1 0 385.218 1.492 20 5 GDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841529513 655338598 /nfs/dbraw/zinc/33/85/98/655338598.db2.gz KBJNZGDRTPJEEE-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@]1(C)C[NH3+] ZINC000842483375 655367545 /nfs/dbraw/zinc/36/75/45/655367545.db2.gz KTPIIRMAYVAIER-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1C[NH3+] ZINC000842485512 655368136 /nfs/dbraw/zinc/36/81/36/655368136.db2.gz IYVSJAAMQRWYLP-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000842486308 655368275 /nfs/dbraw/zinc/36/82/75/655368275.db2.gz XBIIHZAUYBITLR-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000843082656 655387975 /nfs/dbraw/zinc/38/79/75/655387975.db2.gz TXJSZJRHUQLBJN-KBPBESRZSA-N 1 0 375.212 1.782 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCOCC1 ZINC000858629909 655751357 /nfs/dbraw/zinc/75/13/57/655751357.db2.gz CLZQRQAKYVJUEC-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923714755 656594609 /nfs/dbraw/zinc/59/46/09/656594609.db2.gz JQXCHPKAZIFCSX-VHSXEESVSA-N 1 0 379.360 1.844 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)c1 ZINC000903594237 659357443 /nfs/dbraw/zinc/35/74/43/659357443.db2.gz CNHJMJCYAHFZBG-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908074485 659865441 /nfs/dbraw/zinc/86/54/41/659865441.db2.gz ZLWVDFRSYRFTJB-HWPZZCPQSA-N 1 0 398.257 1.697 20 5 GDBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599937063 677678996 /nfs/dbraw/zinc/67/89/96/677678996.db2.gz COFYQMYNAHWDNA-OLZOCXBDSA-N 1 0 398.257 1.947 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C2 ZINC001164808600 720115865 /nfs/dbraw/zinc/11/58/65/720115865.db2.gz FVDFOKYZUVIWIJ-HNAYVOBHSA-N 1 0 391.472 1.887 20 5 GDBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741753 720811182 /nfs/dbraw/zinc/81/11/82/720811182.db2.gz BWIADELMOLYAGF-CGTJXYLNSA-N 1 0 383.456 1.961 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ccc4[nH]cc([N+](=O)[O-])c4n2)CC3)CC1 ZINC001164798250 721515969 /nfs/dbraw/zinc/51/59/69/721515969.db2.gz QSLKYKDGOFZULI-UHFFFAOYSA-N 1 0 396.455 1.435 20 5 GDBDRO Nc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164976566 722126580 /nfs/dbraw/zinc/12/65/80/722126580.db2.gz LVEYSRJHEFXDCQ-DOTOQJQBSA-N 1 0 384.440 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823635036 946460471 /nfs/dbraw/zinc/46/04/71/946460471.db2.gz PZMLNIYTJHXOAJ-UONOGXRCSA-N 1 0 376.398 1.021 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161857788 530563665 /nfs/dbraw/zinc/56/36/65/530563665.db2.gz WEXBVMNRVZWMCQ-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000037646997 530616871 /nfs/dbraw/zinc/61/68/71/530616871.db2.gz RMRCHLPPMOIIGO-VIFPVBQESA-N 1 0 389.193 1.881 20 5 GDBDRO C[NH+]1CCN(CCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176927501 530694907 /nfs/dbraw/zinc/69/49/07/530694907.db2.gz GYHQUGWKOXPISM-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000178938583 530731484 /nfs/dbraw/zinc/73/14/84/530731484.db2.gz ISFNNSSXMIKYKX-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000066580205 530763916 /nfs/dbraw/zinc/76/39/16/530763916.db2.gz YSXYFBIRBGNPIK-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185337728 530840996 /nfs/dbraw/zinc/84/09/96/530840996.db2.gz HHEZUHGFKXDSNO-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000123506023 530984487 /nfs/dbraw/zinc/98/44/87/530984487.db2.gz CMCLPVHFKYDBPZ-UHFFFAOYSA-N 1 0 390.893 1.506 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000127505407 531030887 /nfs/dbraw/zinc/03/08/87/531030887.db2.gz IKFWIHXGPCBZNM-STQMWFEESA-N 1 0 389.499 1.703 20 5 GDBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000130628092 531063104 /nfs/dbraw/zinc/06/31/04/531063104.db2.gz UQQUNUXTIVKWCJ-ZDUSSCGKSA-N 1 0 384.278 1.969 20 5 GDBDRO CC[NH+]1CCN([C@H](C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129132136 531048049 /nfs/dbraw/zinc/04/80/49/531048049.db2.gz XQMIVGASEBNZCW-LLVKDONJSA-N 1 0 376.504 1.498 20 5 GDBDRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261725583 531097471 /nfs/dbraw/zinc/09/74/71/531097471.db2.gz RDGIDJSSBRMSMN-GHMZBOCLSA-N 1 0 377.850 1.683 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262775149 531130176 /nfs/dbraw/zinc/13/01/76/531130176.db2.gz XDGRKQRMYVANFG-MNOVXSKESA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000474120802 531269127 /nfs/dbraw/zinc/26/91/27/531269127.db2.gz UYTVHRHWTRGSAV-UHFFFAOYSA-N 1 0 375.422 1.465 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)c(Br)c1 ZINC000440848450 531347880 /nfs/dbraw/zinc/34/78/80/531347880.db2.gz VXPHSOZJOWIARF-UHFFFAOYSA-N 1 0 376.232 1.555 20 5 GDBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000440962949 531351438 /nfs/dbraw/zinc/35/14/38/531351438.db2.gz LECHYDRUDSAAJJ-KWQFWETISA-N 1 0 385.218 1.553 20 5 GDBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267947274 531463500 /nfs/dbraw/zinc/46/35/00/531463500.db2.gz VCOOGPWGNKCUPA-JTQLQIEISA-N 1 0 390.209 1.947 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415298608 531472743 /nfs/dbraw/zinc/47/27/43/531472743.db2.gz GVOZKHSDVLTYJI-SNVBAGLBSA-N 1 0 385.218 1.472 20 5 GDBDRO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415403884 531483477 /nfs/dbraw/zinc/48/34/77/531483477.db2.gz AMCRYYZACBCCTO-SNVBAGLBSA-N 1 0 399.245 1.802 20 5 GDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415561147 531495478 /nfs/dbraw/zinc/49/54/78/531495478.db2.gz MALHCEATKKCJPX-DTWKUNHWSA-N 1 0 385.218 1.505 20 5 GDBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556513070 531496522 /nfs/dbraw/zinc/49/65/22/531496522.db2.gz OUTUFMHBZPJPJX-SECBINFHSA-N 1 0 387.234 1.752 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000294947639 531509014 /nfs/dbraw/zinc/50/90/14/531509014.db2.gz MCPQQAWYGKKDQV-UHFFFAOYSA-N 1 0 380.417 1.892 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000366318674 531736405 /nfs/dbraw/zinc/73/64/05/531736405.db2.gz FZMYCJSXCSPOEA-SKDRFNHKSA-N 1 0 390.259 1.730 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269867068 531790228 /nfs/dbraw/zinc/79/02/28/531790228.db2.gz DYDPCYPWIYKENZ-CYBMUJFWSA-N 1 0 378.198 1.539 20 5 GDBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000592492069 531792789 /nfs/dbraw/zinc/79/27/89/531792789.db2.gz MVHDLMDDOOBHRG-QWRGUYRKSA-N 1 0 383.246 1.837 20 5 GDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599106100 532006324 /nfs/dbraw/zinc/00/63/24/532006324.db2.gz RUDKHLHIHUGPPX-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000420447099 532014321 /nfs/dbraw/zinc/01/43/21/532014321.db2.gz CCBQCWAXBRLQRY-SNVBAGLBSA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@H](Cn1cncn1)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289905426 532333794 /nfs/dbraw/zinc/33/37/94/532333794.db2.gz NRGJRHWKEJVCIV-SECBINFHSA-N 1 0 387.181 1.969 20 5 GDBDRO C[NH+](C)CCCOC1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821584368 606402558 /nfs/dbraw/zinc/40/25/58/606402558.db2.gz AFLIJAXRFRYUHQ-UHFFFAOYSA-N 1 0 375.433 1.712 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000823629579 607129742 /nfs/dbraw/zinc/12/97/42/607129742.db2.gz ALAQTJVRNAMLLI-WBVHZDCISA-N 1 0 387.444 1.955 20 5 GDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994587 608151209 /nfs/dbraw/zinc/15/12/09/608151209.db2.gz VRXHPGLEAVXMFZ-CZUORRHYSA-N 1 0 386.460 1.237 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000567833984 650922684 /nfs/dbraw/zinc/92/26/84/650922684.db2.gz STLOTSBUHAEPIM-MRVPVSSYSA-N 1 0 375.166 1.681 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000262805081 645139968 /nfs/dbraw/zinc/13/99/68/645139968.db2.gz WMMLOMJYSOXCAB-WPRPVWTQSA-N 1 0 378.248 1.634 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000570618739 651046982 /nfs/dbraw/zinc/04/69/82/651046982.db2.gz PPVLZABIIQILPH-VIFPVBQESA-N 1 0 376.198 1.770 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000378007611 645860931 /nfs/dbraw/zinc/86/09/31/645860931.db2.gz UAFYXLSWUVBOOT-ZJUUUORDSA-N 1 0 379.360 1.844 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000570927203 651060927 /nfs/dbraw/zinc/06/09/27/651060927.db2.gz ULCPOAHZIDSOAM-UHFFFAOYSA-N 1 0 392.275 1.944 20 5 GDBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000572401592 651096222 /nfs/dbraw/zinc/09/62/22/651096222.db2.gz RZGHNTXZILWSNK-UHFFFAOYSA-N 1 0 396.205 1.137 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000574517640 651548749 /nfs/dbraw/zinc/54/87/49/651548749.db2.gz FHMODYQLIFYEBV-UHFFFAOYSA-N 1 0 378.248 1.825 20 5 GDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Br ZINC000582780598 652014995 /nfs/dbraw/zinc/01/49/95/652014995.db2.gz XUFGUMQKFAMHGY-WCQYABFASA-N 1 0 399.245 1.972 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000592378599 652185100 /nfs/dbraw/zinc/18/51/00/652185100.db2.gz HWBRELLBYYCXRY-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000593669720 652236901 /nfs/dbraw/zinc/23/69/01/652236901.db2.gz CFZMORJTENTNIP-WAAGHKOSSA-N 1 0 375.166 1.553 20 5 GDBDRO Cc1c(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000594107176 652270379 /nfs/dbraw/zinc/27/03/79/652270379.db2.gz IJKJOZCIJJOBGJ-NWDGAFQWSA-N 1 0 399.245 1.948 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000594792152 652365007 /nfs/dbraw/zinc/36/50/07/652365007.db2.gz KNCBIUJMDXTIKQ-UHFFFAOYSA-N 1 0 389.499 1.826 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595344385 652409788 /nfs/dbraw/zinc/40/97/88/652409788.db2.gz DFBDLFLRNWHDHS-NSHDSACASA-N 1 0 375.422 1.847 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595383715 652415397 /nfs/dbraw/zinc/41/53/97/652415397.db2.gz CZZOVMQGCHWXEU-LBPRGKRZSA-N 1 0 389.861 1.468 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597623893 652455143 /nfs/dbraw/zinc/45/51/43/652455143.db2.gz DCROTVASYHJQPJ-LBPRGKRZSA-N 1 0 383.246 1.477 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939252 652519036 /nfs/dbraw/zinc/51/90/36/652519036.db2.gz UCNLNLUYSUPUIT-VXGBXAGGSA-N 1 0 384.230 1.638 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])s1 ZINC000601348318 652568927 /nfs/dbraw/zinc/56/89/27/652568927.db2.gz UTXLPTJLEWOPPL-CYBMUJFWSA-N 1 0 388.515 1.365 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000601380230 652573563 /nfs/dbraw/zinc/57/35/63/652573563.db2.gz KPZZOAOMCQFPIA-CHWSQXEVSA-N 1 0 377.463 1.708 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602594775 652642441 /nfs/dbraw/zinc/64/24/41/652642441.db2.gz DBKHTNULYJARDK-SFYZADRCSA-N 1 0 375.166 1.761 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000768881699 654439537 /nfs/dbraw/zinc/43/95/37/654439537.db2.gz JDVWJOIFKMNSNP-GXTWGEPZSA-N 1 0 388.515 1.303 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742310823 654702144 /nfs/dbraw/zinc/70/21/44/654702144.db2.gz ARIWKWLYHUBXIC-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])ccc1I ZINC000701882684 654832221 /nfs/dbraw/zinc/83/22/21/654832221.db2.gz HKOUBIKYUPPOCQ-UHFFFAOYSA-N 1 0 387.177 1.681 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000840132332 655277293 /nfs/dbraw/zinc/27/72/93/655277293.db2.gz KXKDZHNJJXEYNZ-BMIGLBTASA-N 1 0 395.257 1.907 20 5 GDBDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841149107 655310624 /nfs/dbraw/zinc/31/06/24/655310624.db2.gz FMGBQFFTHOPCQG-UHFFFAOYSA-N 1 0 385.218 1.493 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841170595 655311993 /nfs/dbraw/zinc/31/19/93/655311993.db2.gz WEVRYLLMHSVLOV-VIFPVBQESA-N 1 0 385.218 1.364 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000841182026 655312616 /nfs/dbraw/zinc/31/26/16/655312616.db2.gz KOQBRMVSFWORBL-SNVBAGLBSA-N 1 0 387.234 1.704 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000841190038 655312995 /nfs/dbraw/zinc/31/29/95/655312995.db2.gz LQUSHXYVBQIJBQ-SNVBAGLBSA-N 1 0 399.245 1.815 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000841259770 655317927 /nfs/dbraw/zinc/31/79/27/655317927.db2.gz WAAGKTJIKMECAD-UHFFFAOYSA-N 1 0 385.218 1.552 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842481512 655367170 /nfs/dbraw/zinc/36/71/70/655367170.db2.gz JZEIBPPYYITKSS-JTQLQIEISA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000842743533 655374753 /nfs/dbraw/zinc/37/47/53/655374753.db2.gz ISBFSFDGHJLABT-KWQFWETISA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842787138 655376873 /nfs/dbraw/zinc/37/68/73/655376873.db2.gz JFNDXMAOFZAKBN-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842793018 655377551 /nfs/dbraw/zinc/37/75/51/655377551.db2.gz HAFWZEDDLTXUBD-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCC1 ZINC000850590468 655559440 /nfs/dbraw/zinc/55/94/40/655559440.db2.gz KKCCQMRTLGONFV-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000851887867 655602576 /nfs/dbraw/zinc/60/25/76/655602576.db2.gz ZXVGOGZCCGCFQC-ZDUSSCGKSA-N 1 0 391.877 1.980 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000858616420 655750579 /nfs/dbraw/zinc/75/05/79/655750579.db2.gz QBRQNECWMIXBMX-LBPRGKRZSA-N 1 0 392.275 1.976 20 5 GDBDRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000859393271 655780562 /nfs/dbraw/zinc/78/05/62/655780562.db2.gz SNQQXUNEFFYUSN-VIFPVBQESA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000866828715 655967894 /nfs/dbraw/zinc/96/78/94/655967894.db2.gz XPIGDIRYNKPHPG-YPMHNXCESA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881798110 656961421 /nfs/dbraw/zinc/96/14/21/656961421.db2.gz JHFYPYJCZMSVGH-UHFFFAOYSA-N 1 0 389.225 1.707 20 5 GDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000886891799 657720367 /nfs/dbraw/zinc/72/03/67/657720367.db2.gz HGRNZPNRLGGJHH-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C)CC1 ZINC000888989797 657965674 /nfs/dbraw/zinc/96/56/74/657965674.db2.gz ZGYGLTJBGCEGIJ-UHFFFAOYSA-N 1 0 399.289 1.606 20 5 GDBDRO C[NH+]1CCN(CCNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])CC1 ZINC000891620254 658255709 /nfs/dbraw/zinc/25/57/09/658255709.db2.gz TUSQQGMCOXLDOZ-UHFFFAOYSA-N 1 0 394.273 1.987 20 5 GDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896556798 658789484 /nfs/dbraw/zinc/78/94/84/658789484.db2.gz PTCCZBKXIMMEAW-IAQYHMDHSA-N 1 0 399.289 1.650 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896914930 658813945 /nfs/dbraw/zinc/81/39/45/658813945.db2.gz QMAIBCUEPYNEPF-BMIGLBTASA-N 1 0 375.397 1.979 20 5 GDBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])ccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714416 720166072 /nfs/dbraw/zinc/16/60/72/720166072.db2.gz OZNWEVBBKSKTNS-INIZCTEOSA-N 1 0 387.444 1.335 20 5 GDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164733497 720534120 /nfs/dbraw/zinc/53/41/20/720534120.db2.gz CMQJHCNEBLXIHG-ZDUSSCGKSA-N 1 0 388.432 1.046 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC[C@@H]2C1 ZINC001164853776 720880410 /nfs/dbraw/zinc/88/04/10/720880410.db2.gz CSZODODJVJSFJA-WBVHZDCISA-N 1 0 394.472 1.951 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871379 721042136 /nfs/dbraw/zinc/04/21/36/721042136.db2.gz YKBWYFVVDNUDDA-LSDHHAIUSA-N 1 0 386.412 1.268 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865946 721088504 /nfs/dbraw/zinc/08/85/04/721088504.db2.gz QEWDELGHKSJCIA-CABCVRRESA-N 1 0 386.412 1.268 20 5 GDBDRO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c([N+](=O)[O-])c1 ZINC001164879233 721262499 /nfs/dbraw/zinc/26/24/99/721262499.db2.gz WSZOOYGDOZRLKA-UHFFFAOYSA-N 1 0 391.472 1.305 20 5 GDBDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971147 722152259 /nfs/dbraw/zinc/15/22/59/722152259.db2.gz AXDHXKVHINMGRE-AEFFLSMTSA-N 1 0 384.440 1.816 20 5 GDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824570221 946809670 /nfs/dbraw/zinc/80/96/70/946809670.db2.gz MEPVVPXJCFEJDQ-IUODEOHRSA-N 1 0 384.396 1.865 20 5 GDBDRO COC(=O)COc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001308390164 1126165608 /nfs/dbraw/zinc/16/56/08/1126165608.db2.gz OUBZDCLJOOJLBK-INIZCTEOSA-N 1 0 392.383 1.979 20 5 GDBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589881422 1126215731 /nfs/dbraw/zinc/21/57/31/1126215731.db2.gz PRRDHPFOWUILCO-GOSISDBHSA-N 1 0 386.387 1.997 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177283722 530700524 /nfs/dbraw/zinc/70/05/24/530700524.db2.gz YAKRTHKQBPIVHS-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184761879 530831230 /nfs/dbraw/zinc/83/12/30/530831230.db2.gz CXDNELDGHKJLNR-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO O=C(NCC1=CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1I ZINC000186375734 530855824 /nfs/dbraw/zinc/85/58/24/530855824.db2.gz ZIVQRROPFZEBJY-UHFFFAOYSA-N 1 0 387.177 1.849 20 5 GDBDRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185337563 530840560 /nfs/dbraw/zinc/84/05/60/530840560.db2.gz RVQIKRHSGUQWBF-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000122556893 530973605 /nfs/dbraw/zinc/97/36/05/530973605.db2.gz VNXFPTMTVDOCAI-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO COCC[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000193364921 530985058 /nfs/dbraw/zinc/98/50/58/530985058.db2.gz FNRNZFCLGZHQOA-UHFFFAOYSA-N 1 0 396.263 1.180 20 5 GDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000125236366 531004058 /nfs/dbraw/zinc/00/40/58/531004058.db2.gz VJXBTPYDJPUHBZ-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000133070493 531087125 /nfs/dbraw/zinc/08/71/25/531087125.db2.gz IJAAGFXHXQHFTA-LBPRGKRZSA-N 1 0 385.364 1.613 20 5 GDBDRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000434868695 531252190 /nfs/dbraw/zinc/25/21/90/531252190.db2.gz MCWVQXIKGYSRTL-LLVKDONJSA-N 1 0 384.483 1.036 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290828268 531258957 /nfs/dbraw/zinc/25/89/57/531258957.db2.gz PGDXDVOGTPAVTD-SNVBAGLBSA-N 1 0 399.245 1.706 20 5 GDBDRO C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])[C@H](C)O ZINC000266179579 531320342 /nfs/dbraw/zinc/32/03/42/531320342.db2.gz BRTBERDMGPZSLF-NWDGAFQWSA-N 1 0 389.499 1.392 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000440422155 531338798 /nfs/dbraw/zinc/33/87/98/531338798.db2.gz RAFBVVKNTUAUEC-KWQFWETISA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000440433781 531338815 /nfs/dbraw/zinc/33/88/15/531338815.db2.gz ONMGUTUFSKXJHH-LLVKDONJSA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440359861 531334636 /nfs/dbraw/zinc/33/46/36/531334636.db2.gz PXSFQASWVNLCBQ-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO COc1c(S(=O)(=O)N[C@@H](C)CC[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000440864155 531348860 /nfs/dbraw/zinc/34/88/60/531348860.db2.gz REJRTOQYCPIMEO-ZETCQYMHSA-N 1 0 396.263 1.690 20 5 GDBDRO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000267239549 531414275 /nfs/dbraw/zinc/41/42/75/531414275.db2.gz XVENKIDRYCMCGA-CQSZACIVSA-N 1 0 375.472 1.319 20 5 GDBDRO NC(=O)c1ccc(SCC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c([N+](=O)[O-])c1 ZINC000449726761 531475037 /nfs/dbraw/zinc/47/50/37/531475037.db2.gz YGYGWLIBZXYYCD-JTQLQIEISA-N 1 0 380.348 1.182 20 5 GDBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415415836 531483789 /nfs/dbraw/zinc/48/37/89/531483789.db2.gz MDZOIHXFADAHKE-MRVPVSSYSA-N 1 0 387.234 1.576 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415413494 531484572 /nfs/dbraw/zinc/48/45/72/531484572.db2.gz YTXBAWUOQHRDPV-SNVBAGLBSA-N 1 0 399.245 1.720 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415666463 531510662 /nfs/dbraw/zinc/51/06/62/531510662.db2.gz ZRGOAYSUSSXEAY-KWQFWETISA-N 1 0 399.245 1.718 20 5 GDBDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000581608173 531503795 /nfs/dbraw/zinc/50/37/95/531503795.db2.gz ORZJLUBPCGMHRG-UHFFFAOYSA-N 1 0 386.861 1.231 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590548376 531690347 /nfs/dbraw/zinc/69/03/47/531690347.db2.gz BHOBNUZGMKEOFA-LLVKDONJSA-N 1 0 386.246 1.852 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591677736 531734358 /nfs/dbraw/zinc/73/43/58/531734358.db2.gz VBGUPAJBIOOPCO-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000562995419 531794707 /nfs/dbraw/zinc/79/47/07/531794707.db2.gz SDWDOLJYQWEWLN-NSHDSACASA-N 1 0 376.200 1.523 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCCCC[NH3+] ZINC000563109848 531809456 /nfs/dbraw/zinc/80/94/56/531809456.db2.gz CLSFXRLFWRGBLG-UHFFFAOYSA-N 1 0 377.182 1.977 20 5 GDBDRO CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000592983057 531815156 /nfs/dbraw/zinc/81/51/56/531815156.db2.gz VCLOQOGJVXIELX-VIFPVBQESA-N 1 0 383.257 1.165 20 5 GDBDRO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000298086377 531849340 /nfs/dbraw/zinc/84/93/40/531849340.db2.gz LDLYARUYOVXYCC-LLVKDONJSA-N 1 0 375.472 1.237 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000595119986 531866440 /nfs/dbraw/zinc/86/64/40/531866440.db2.gz DYBIULPRUPIZES-UHFFFAOYSA-N 1 0 390.259 1.696 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000283649210 531882308 /nfs/dbraw/zinc/88/23/08/531882308.db2.gz TXULOQDYUXKUOA-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO C[NH+](C)CCCN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000298634644 531905628 /nfs/dbraw/zinc/90/56/28/531905628.db2.gz HTWWEMAWTPRPRK-LBPRGKRZSA-N 1 0 375.472 1.237 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596050648 531904489 /nfs/dbraw/zinc/90/44/89/531904489.db2.gz MSSBLJRKLMGKJR-GFCCVEGCSA-N 1 0 378.248 1.696 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000570091382 531934287 /nfs/dbraw/zinc/93/42/87/531934287.db2.gz IWCCFASTGYYADP-RKDXNWHRSA-N 1 0 376.385 1.360 20 5 GDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597573745 531947608 /nfs/dbraw/zinc/94/76/08/531947608.db2.gz ICOJEELKZXQKKS-HNNXBMFYSA-N 1 0 386.246 1.886 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)cc1Br ZINC000369070014 531940264 /nfs/dbraw/zinc/94/02/64/531940264.db2.gz FYOWOFPGPWRGND-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000419837094 531977235 /nfs/dbraw/zinc/97/72/35/531977235.db2.gz ZTCTUFYGRIXXGX-OLZOCXBDSA-N 1 0 394.209 1.811 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000599103099 532006063 /nfs/dbraw/zinc/00/60/63/532006063.db2.gz SFPXPVGXDPPLCG-DGCLKSJQSA-N 1 0 381.376 1.884 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000599104254 532006341 /nfs/dbraw/zinc/00/63/41/532006341.db2.gz RJGVLCNMMPYFMK-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000420479287 532021859 /nfs/dbraw/zinc/02/18/59/532021859.db2.gz MIRPWNGVEDYBIU-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO COC(=O)[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000425466692 532140223 /nfs/dbraw/zinc/14/02/23/532140223.db2.gz BWEMZWXRWDBFOF-LBPRGKRZSA-N 1 0 386.246 1.894 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000273981863 532179037 /nfs/dbraw/zinc/17/90/37/532179037.db2.gz QOXLYWYZFBKEFA-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000332417580 532185060 /nfs/dbraw/zinc/18/50/60/532185060.db2.gz OAPQSODZJHSLNR-FZMZJTMJSA-N 1 0 375.472 1.563 20 5 GDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275475631 532296725 /nfs/dbraw/zinc/29/67/25/532296725.db2.gz OVHIYCGZNWGHOD-KGLIPLIRSA-N 1 0 386.499 1.258 20 5 GDBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275475628 532297026 /nfs/dbraw/zinc/29/70/26/532297026.db2.gz OVHIYCGZNWGHOD-KBPBESRZSA-N 1 0 386.499 1.258 20 5 GDBDRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000288825712 532308800 /nfs/dbraw/zinc/30/88/00/532308800.db2.gz NMDCRXDENWINOM-ZDUSSCGKSA-N 1 0 399.245 1.926 20 5 GDBDRO CS[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275876819 532313469 /nfs/dbraw/zinc/31/34/69/532313469.db2.gz WDBIPSNXYNNUDG-CHWSQXEVSA-N 1 0 386.499 1.258 20 5 GDBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289521875 532326794 /nfs/dbraw/zinc/32/67/94/532326794.db2.gz NUBXEGJAZFKYDY-ZANVPECISA-N 1 0 392.193 1.829 20 5 GDBDRO O=[N+]([O-])c1ccc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738370817 599044624 /nfs/dbraw/zinc/04/46/24/599044624.db2.gz QPDVFDJJJLPAGH-IBGZPJMESA-N 1 0 395.423 1.824 20 5 GDBDRO O=[N+]([O-])c1cnc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738375026 599044864 /nfs/dbraw/zinc/04/48/64/599044864.db2.gz XZOJHZZHANPLEA-GOSISDBHSA-N 1 0 396.411 1.219 20 5 GDBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820908334 599086767 /nfs/dbraw/zinc/08/67/67/599086767.db2.gz LAYPWBYCJPDYLM-LBPRGKRZSA-N 1 0 398.427 1.216 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1CC ZINC000736623195 598672393 /nfs/dbraw/zinc/67/23/93/598672393.db2.gz CECYXZFGCLVHHV-CYBMUJFWSA-N 1 0 375.433 1.712 20 5 GDBDRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000826182759 607466449 /nfs/dbraw/zinc/46/64/49/607466449.db2.gz SURYDTOTVSCZOF-AWEZNQCLSA-N 1 0 396.411 1.865 20 5 GDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824994588 608151049 /nfs/dbraw/zinc/15/10/49/608151049.db2.gz VRXHPGLEAVXMFZ-XJKSGUPXSA-N 1 0 386.460 1.237 20 5 GDBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568595 608487027 /nfs/dbraw/zinc/48/70/27/608487027.db2.gz AXOKRLXYIBCGJY-LRDDRELGSA-N 1 0 384.396 1.865 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000826497800 609388057 /nfs/dbraw/zinc/38/80/57/609388057.db2.gz VHPXOYJOHOUTIU-MRXNPFEDSA-N 1 0 395.423 1.954 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000555847150 650696515 /nfs/dbraw/zinc/69/65/15/650696515.db2.gz DSRIACBEPPXFRA-UHFFFAOYSA-N 1 0 399.289 1.985 20 5 GDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000110732366 644625644 /nfs/dbraw/zinc/62/56/44/644625644.db2.gz FCFNNOKHBTYAJU-SECBINFHSA-N 1 0 389.193 1.976 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000125040523 644711916 /nfs/dbraw/zinc/71/19/16/644711916.db2.gz NFMIAZVTNUHYKU-PELKAZGASA-N 1 0 394.247 1.094 20 5 GDBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1I ZINC000151489110 644780938 /nfs/dbraw/zinc/78/09/38/644780938.db2.gz HJIUCBNETORMSP-UHFFFAOYSA-N 1 0 375.166 1.681 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193411652 645050899 /nfs/dbraw/zinc/05/08/99/645050899.db2.gz MNYGHXFCRKMLTI-PSASIEDQSA-N 1 0 378.248 1.634 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000237206593 645084327 /nfs/dbraw/zinc/08/43/27/645084327.db2.gz YRKSWYIRBDCYGI-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330540915 645372598 /nfs/dbraw/zinc/37/25/98/645372598.db2.gz RWBYQDQSXRWUQL-NEPJUHHUSA-N 1 0 379.891 1.914 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000372221545 645793880 /nfs/dbraw/zinc/79/38/80/645793880.db2.gz JGHVQANBJBBXFU-SECBINFHSA-N 1 0 394.247 1.014 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440445338 646244232 /nfs/dbraw/zinc/24/42/32/646244232.db2.gz VRYKTBXBHCACNL-LLVKDONJSA-N 1 0 390.259 1.872 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446948655 647299424 /nfs/dbraw/zinc/29/94/24/647299424.db2.gz BYDKHRONTNSRJS-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)NC1CC[NH+](C2CC2)CC1 ZINC000475949717 647767816 /nfs/dbraw/zinc/76/78/16/647767816.db2.gz IVMKWEKYEQXMOQ-UHFFFAOYSA-N 1 0 399.245 1.262 20 5 GDBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000572476839 651098177 /nfs/dbraw/zinc/09/81/77/651098177.db2.gz NLBALBDXECHRNX-AWEZNQCLSA-N 1 0 399.245 1.973 20 5 GDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000572476840 651098190 /nfs/dbraw/zinc/09/81/90/651098190.db2.gz NLBALBDXECHRNX-CQSZACIVSA-N 1 0 399.245 1.973 20 5 GDBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573603970 651485954 /nfs/dbraw/zinc/48/59/54/651485954.db2.gz CUVLFRSBMPCQBM-VXGBXAGGSA-N 1 0 378.166 1.703 20 5 GDBDRO O=c1c2c(ncn1Cc1ccc(Br)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000577507846 651733940 /nfs/dbraw/zinc/73/39/40/651733940.db2.gz ZLJBDMFNRIVWEL-UHFFFAOYSA-N 1 0 379.214 1.651 20 5 GDBDRO C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000582316306 651988619 /nfs/dbraw/zinc/98/86/19/651988619.db2.gz KBKFVWOKYIKXOW-VHSXEESVSA-N 1 0 399.245 1.847 20 5 GDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592552441 652194447 /nfs/dbraw/zinc/19/44/47/652194447.db2.gz HNHDTTVTWMELEL-GFCCVEGCSA-N 1 0 386.202 1.334 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@@]2(O)CCOC2)c1 ZINC000593670906 652236975 /nfs/dbraw/zinc/23/69/75/652236975.db2.gz MALKVSCJFPGNOX-CYBMUJFWSA-N 1 0 392.193 1.831 20 5 GDBDRO C[C@]1(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992390 652431897 /nfs/dbraw/zinc/43/18/97/652431897.db2.gz QERXOZXRGFLVMT-LBPRGKRZSA-N 1 0 375.166 1.681 20 5 GDBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000597694835 652457173 /nfs/dbraw/zinc/45/71/73/652457173.db2.gz ONFUGIQWAZEGCT-UHFFFAOYSA-N 1 0 397.273 1.677 20 5 GDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCN2CCCS2(=O)=O)c1 ZINC000609440732 652844352 /nfs/dbraw/zinc/84/43/52/652844352.db2.gz KIEJDBFJFCXFKK-UHFFFAOYSA-N 1 0 379.385 1.711 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000613475697 652958465 /nfs/dbraw/zinc/95/84/65/652958465.db2.gz XPRVJYQVEJKWEJ-ZDUSSCGKSA-N 1 0 388.515 1.365 20 5 GDBDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597933 655300291 /nfs/dbraw/zinc/30/02/91/655300291.db2.gz JBMVYKTVNDUEBK-CMPLNLGQSA-N 1 0 385.467 1.724 20 5 GDBDRO COC(=O)[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840959105 655306263 /nfs/dbraw/zinc/30/62/63/655306263.db2.gz TYNSKSJUWFQSGD-LLVKDONJSA-N 1 0 386.246 1.894 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000841148672 655310585 /nfs/dbraw/zinc/31/05/85/655310585.db2.gz WQZPDQJXCIRQEN-UHFFFAOYSA-N 1 0 385.218 1.426 20 5 GDBDRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000841160965 655311163 /nfs/dbraw/zinc/31/11/63/655311163.db2.gz KABJKAMOMQRNPW-UWVGGRQHSA-N 1 0 399.245 1.800 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000841161137 655311408 /nfs/dbraw/zinc/31/14/08/655311408.db2.gz KFWGCRDOKDTWEX-GFCCVEGCSA-N 1 0 398.261 1.869 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841163341 655311598 /nfs/dbraw/zinc/31/15/98/655311598.db2.gz VUHMPGXZNGMVLR-VIFPVBQESA-N 1 0 385.218 1.411 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000841199917 655313554 /nfs/dbraw/zinc/31/35/54/655313554.db2.gz ICDIMGAMMNFYHC-NXEZZACHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841275941 655318492 /nfs/dbraw/zinc/31/84/92/655318492.db2.gz KIMCIXWKAFWPRZ-UWVGGRQHSA-N 1 0 399.245 1.739 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000842485395 655368072 /nfs/dbraw/zinc/36/80/72/655368072.db2.gz NQJHDFRQWBOUIW-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000842726405 655373908 /nfs/dbraw/zinc/37/39/08/655373908.db2.gz FVNGQXKSBHFIEO-WPRPVWTQSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1[NH3+] ZINC000842726014 655373911 /nfs/dbraw/zinc/37/39/11/655373911.db2.gz AKABXJWKHQHNHP-LDYMZIIASA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842788618 655377017 /nfs/dbraw/zinc/37/70/17/655377017.db2.gz IOHPEEHKMULNPK-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO COCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[NH2+]CC1 ZINC000842854773 655381087 /nfs/dbraw/zinc/38/10/87/655381087.db2.gz RWDBTPRRGUXJRH-UHFFFAOYSA-N 1 0 391.877 1.851 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Br)c1 ZINC000843097411 655388312 /nfs/dbraw/zinc/38/83/12/655388312.db2.gz ZCQXACQVVRKQEZ-FZMZJTMJSA-N 1 0 385.218 1.238 20 5 GDBDRO C[C@@H](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000849429504 655533846 /nfs/dbraw/zinc/53/38/46/655533846.db2.gz RZVMHPOTWOFIEE-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000850593353 655559849 /nfs/dbraw/zinc/55/98/49/655559849.db2.gz NDHFJSNWIMAJKQ-RKDXNWHRSA-N 1 0 382.211 1.417 20 5 GDBDRO C[C@@H](CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000850597042 655560286 /nfs/dbraw/zinc/56/02/86/655560286.db2.gz ZXBWPNUPUPNDLC-VIFPVBQESA-N 1 0 387.234 1.752 20 5 GDBDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850629140 655561769 /nfs/dbraw/zinc/56/17/69/655561769.db2.gz YQDRAPCRSJKQEG-UHFFFAOYSA-N 1 0 385.218 1.316 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000858632415 655751473 /nfs/dbraw/zinc/75/14/73/655751473.db2.gz PKCIDRPQDPKHIV-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864865237 655907378 /nfs/dbraw/zinc/90/73/78/655907378.db2.gz NNXWEQGWKJUYHZ-UHFFFAOYSA-N 1 0 388.262 1.984 20 5 GDBDRO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000865816621 655927696 /nfs/dbraw/zinc/92/76/96/655927696.db2.gz NJCUSCOJNJBXKR-GFCCVEGCSA-N 1 0 399.289 1.652 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000867026262 655988616 /nfs/dbraw/zinc/98/86/16/655988616.db2.gz UUKCDRVDQVBFBC-STQMWFEESA-N 1 0 377.463 1.708 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000867274318 656029014 /nfs/dbraw/zinc/02/90/14/656029014.db2.gz GMMVTMBLDIGVCU-UHFFFAOYSA-N 1 0 377.850 1.594 20 5 GDBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000868077907 656139862 /nfs/dbraw/zinc/13/98/62/656139862.db2.gz HMMAEFBKBWTXES-GFCCVEGCSA-N 1 0 375.166 1.763 20 5 GDBDRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882521921 657142337 /nfs/dbraw/zinc/14/23/37/657142337.db2.gz XPZZLUHKYYCELO-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000911939228 660021875 /nfs/dbraw/zinc/02/18/75/660021875.db2.gz RGJYVPJZSFDRON-UHFFFAOYSA-N 1 0 386.246 1.886 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001164422753 718913899 /nfs/dbraw/zinc/91/38/99/718913899.db2.gz AQCSNHZYUBZVFP-AWEZNQCLSA-N 1 0 392.790 1.773 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746219 720642315 /nfs/dbraw/zinc/64/23/15/720642315.db2.gz WHHUZJVUFLUHFX-VXGBXAGGSA-N 1 0 376.804 1.775 20 5 GDBDRO Nc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164748251 720834651 /nfs/dbraw/zinc/83/46/51/720834651.db2.gz STWQRGAKNLXGFI-BZUAXINKSA-N 1 0 398.471 1.543 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@H]2C1 ZINC001164852630 720867110 /nfs/dbraw/zinc/86/71/10/720867110.db2.gz DWJZDRHKPUOQMW-XJKSGUPXSA-N 1 0 375.429 1.645 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164749848 720959638 /nfs/dbraw/zinc/95/96/38/720959638.db2.gz HUPXVFMPTTUHHB-UHFFFAOYSA-N 1 0 399.411 1.313 20 5 GDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc([N+](=O)[O-])cc1N)CCC2 ZINC001165002662 722255905 /nfs/dbraw/zinc/25/59/05/722255905.db2.gz RZXFGLGFYMUKPM-UHFFFAOYSA-N 1 0 375.433 1.257 20 5 GDBDRO O=C([O-])[C@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001594954204 954974222 /nfs/dbraw/zinc/97/42/22/954974222.db2.gz ZBBZAPYTEWBEQN-GOSISDBHSA-N 1 0 377.441 1.635 20 5 GDBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCOCC2)cc([N+](=O)[O-])c1F ZINC000180076690 530757138 /nfs/dbraw/zinc/75/71/38/530757138.db2.gz WCXSBHOOBFBBEM-UHFFFAOYSA-N 1 0 375.422 1.431 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000108406570 530857258 /nfs/dbraw/zinc/85/72/58/530857258.db2.gz IMTIEJOWQSXXDQ-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000117923659 530914574 /nfs/dbraw/zinc/91/45/74/530914574.db2.gz LXTFGDZGIIAKRA-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000124004309 530990309 /nfs/dbraw/zinc/99/03/09/530990309.db2.gz FXILQXFXTDHYOS-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236626669 531038590 /nfs/dbraw/zinc/03/85/90/531038590.db2.gz CBDXGDRLMRNMOI-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CN(C)CCO1 ZINC000157445959 531206548 /nfs/dbraw/zinc/20/65/48/531206548.db2.gz ZTDLYSYGYYUGBE-YGRLFVJLSA-N 1 0 386.246 1.735 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(F)c(Br)c2)c1 ZINC000521759035 531251734 /nfs/dbraw/zinc/25/17/34/531251734.db2.gz RRUXDSWMZSDXEZ-GFCCVEGCSA-N 1 0 387.209 1.886 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000267852228 531456928 /nfs/dbraw/zinc/45/69/28/531456928.db2.gz FZCPEQLEMZYZEO-GFCCVEGCSA-N 1 0 375.447 1.239 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488229539 531484535 /nfs/dbraw/zinc/48/45/35/531484535.db2.gz JTBVVQUIJRGVIW-HNNXBMFYSA-N 1 0 399.245 1.409 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000545464781 531492260 /nfs/dbraw/zinc/49/22/60/531492260.db2.gz KBDAKHDEZOEOLJ-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415651965 531509067 /nfs/dbraw/zinc/50/90/67/531509067.db2.gz CZIZLBMHYVKAPS-WCBMZHEXSA-N 1 0 385.218 1.553 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415835917 531540605 /nfs/dbraw/zinc/54/06/05/531540605.db2.gz PLNCONJWKYHJRW-SCZZXKLOSA-N 1 0 385.218 1.539 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000415846711 531542165 /nfs/dbraw/zinc/54/21/65/531542165.db2.gz YZQSRGJOXIHPGL-RFAUZJTJSA-N 1 0 399.245 1.739 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000364343448 531555431 /nfs/dbraw/zinc/55/54/31/531555431.db2.gz YKBOKHMHTIOJHI-RYUDHWBXSA-N 1 0 389.861 1.698 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591683979 531735949 /nfs/dbraw/zinc/73/59/49/531735949.db2.gz GMKWKGZWQCYONO-QPUJVOFHSA-N 1 0 389.193 1.927 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000269783612 531755513 /nfs/dbraw/zinc/75/55/13/531755513.db2.gz PFGZPOBKINBOHY-UHFFFAOYSA-N 1 0 377.850 1.292 20 5 GDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592873585 531806261 /nfs/dbraw/zinc/80/62/61/531806261.db2.gz OEIZXIIZRBIRRG-SNVBAGLBSA-N 1 0 399.245 1.549 20 5 GDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592869972 531807788 /nfs/dbraw/zinc/80/77/88/531807788.db2.gz AQKULPBDUHXWLQ-SNVBAGLBSA-N 1 0 399.245 1.549 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc(Br)cc1[N+](=O)[O-] ZINC000595254011 531873232 /nfs/dbraw/zinc/87/32/32/531873232.db2.gz YWNBNOOFLUIJRW-UHFFFAOYSA-N 1 0 397.229 1.554 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596050665 531904632 /nfs/dbraw/zinc/90/46/32/531904632.db2.gz MSSBLJRKLMGKJR-LBPRGKRZSA-N 1 0 378.248 1.696 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000271103230 531966308 /nfs/dbraw/zinc/96/63/08/531966308.db2.gz OAWXOGDUSIPMNW-RYUDHWBXSA-N 1 0 379.891 1.914 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH3+] ZINC000574988000 532007102 /nfs/dbraw/zinc/00/71/02/532007102.db2.gz ATSFNZSWUOMNCP-SSDOTTSWSA-N 1 0 377.182 1.975 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420461884 532018661 /nfs/dbraw/zinc/01/86/61/532018661.db2.gz VAVFVQVRLIOVGI-SNVBAGLBSA-N 1 0 383.348 1.270 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000420463970 532018932 /nfs/dbraw/zinc/01/89/32/532018932.db2.gz XCRXXRDPJXJJKI-WCBMZHEXSA-N 1 0 378.248 1.763 20 5 GDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301559709 532036890 /nfs/dbraw/zinc/03/68/90/532036890.db2.gz TXOPPWIEPKOYOQ-LBPRGKRZSA-N 1 0 384.278 1.969 20 5 GDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301702880 532038043 /nfs/dbraw/zinc/03/80/43/532038043.db2.gz ULJOKJRIBDSCRL-UHFFFAOYSA-N 1 0 398.261 1.497 20 5 GDBDRO CS[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275539439 532299171 /nfs/dbraw/zinc/29/91/71/532299171.db2.gz ZXMAESVJVIBKTQ-LSDHHAIUSA-N 1 0 386.499 1.258 20 5 GDBDRO CN1CC[NH2+]C[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000394745941 532301401 /nfs/dbraw/zinc/30/14/01/532301401.db2.gz WTNMSHGMCNKSQU-LLVKDONJSA-N 1 0 380.246 1.643 20 5 GDBDRO COC[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)OC ZINC000289483335 532325997 /nfs/dbraw/zinc/32/59/97/532325997.db2.gz KHCOBBSZJVRBIJ-GFCCVEGCSA-N 1 0 380.182 1.950 20 5 GDBDRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288913602 532311219 /nfs/dbraw/zinc/31/12/19/532311219.db2.gz UHFFQGUBPBALCX-AWEZNQCLSA-N 1 0 399.245 1.926 20 5 GDBDRO O=C1NCCCC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289938715 532334440 /nfs/dbraw/zinc/33/44/40/532334440.db2.gz PMGHAVSVTVHAEN-GFCCVEGCSA-N 1 0 389.193 1.958 20 5 GDBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cs1 ZINC000738360488 598467021 /nfs/dbraw/zinc/46/70/21/598467021.db2.gz QHVXXSDCTITBPN-UHFFFAOYSA-N 1 0 386.441 1.990 20 5 GDBDRO CCn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000736721490 598501775 /nfs/dbraw/zinc/50/17/75/598501775.db2.gz CBKKNAUUPJNDHR-UHFFFAOYSA-N 1 0 398.431 1.099 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1CC ZINC000736623663 598672880 /nfs/dbraw/zinc/67/28/80/598672880.db2.gz KNNOCKARZXJQND-CQSZACIVSA-N 1 0 375.433 1.712 20 5 GDBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1-c1nn[nH]n1 ZINC000826194801 607521538 /nfs/dbraw/zinc/52/15/38/607521538.db2.gz WSIARNRARFGJGP-ZDUSSCGKSA-N 1 0 396.411 1.865 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821189200 606140517 /nfs/dbraw/zinc/14/05/17/606140517.db2.gz IVNXXGKVLZTLCG-CQSZACIVSA-N 1 0 375.433 1.712 20 5 GDBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000826499301 607876829 /nfs/dbraw/zinc/87/68/29/607876829.db2.gz DHWBBEBDGDPCJY-HNNXBMFYSA-N 1 0 396.407 1.573 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000825933956 608034976 /nfs/dbraw/zinc/03/49/76/608034976.db2.gz JZMLHOGDDGMTAH-UHFFFAOYSA-N 1 0 387.404 1.024 20 5 GDBDRO CS[C@@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000536171117 650266442 /nfs/dbraw/zinc/26/64/42/650266442.db2.gz JNWBXFONYVCAPF-LSDHHAIUSA-N 1 0 388.515 1.327 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000563618329 650737173 /nfs/dbraw/zinc/73/71/73/650737173.db2.gz SRXWPMMTLHJZJT-UHFFFAOYSA-N 1 0 382.467 1.503 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000178941662 644928995 /nfs/dbraw/zinc/92/89/95/644928995.db2.gz VTMAHRNPIGNFSC-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000237826472 645087992 /nfs/dbraw/zinc/08/79/92/645087992.db2.gz ZDBHYRIDHOQFSO-UHFFFAOYSA-N 1 0 377.850 1.767 20 5 GDBDRO NC(=O)CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000421355202 646007417 /nfs/dbraw/zinc/00/74/17/646007417.db2.gz YTIABQFRLHYACD-UHFFFAOYSA-N 1 0 389.193 1.945 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599896280 652517290 /nfs/dbraw/zinc/51/72/90/652517290.db2.gz PAGFUHYITUJNLJ-LDYMZIIASA-N 1 0 399.245 1.861 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1=O ZINC000600071285 652525988 /nfs/dbraw/zinc/52/59/88/652525988.db2.gz MMMCWDWSWULULL-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO Cc1cc(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)c([N+](=O)[O-])s1 ZINC000601417590 652578790 /nfs/dbraw/zinc/57/87/90/652578790.db2.gz WJYBILGIDRMLFZ-UHFFFAOYSA-N 1 0 378.520 1.469 20 5 GDBDRO COc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000609198240 652837585 /nfs/dbraw/zinc/83/75/85/652837585.db2.gz CNLHKTLFQVTJFF-UHFFFAOYSA-N 1 0 384.439 1.571 20 5 GDBDRO C[S@](=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000612591654 652939660 /nfs/dbraw/zinc/93/96/60/652939660.db2.gz MCFPIBVCDRISHW-DEOSSOPVSA-N 1 0 382.463 1.896 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000780719820 654791802 /nfs/dbraw/zinc/79/18/02/654791802.db2.gz PJBYDSUMSIUZJP-NSHDSACASA-N 1 0 375.422 1.895 20 5 GDBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701024413 654832269 /nfs/dbraw/zinc/83/22/69/654832269.db2.gz CKFHKRGPURNYJS-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000788069741 654981183 /nfs/dbraw/zinc/98/11/83/654981183.db2.gz CLEBCBJTTNIIGQ-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841171039 655311962 /nfs/dbraw/zinc/31/19/62/655311962.db2.gz NOBXJTXLPXXNFL-UHFFFAOYSA-N 1 0 399.245 1.754 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841225534 655315760 /nfs/dbraw/zinc/31/57/60/655315760.db2.gz AIUWMZCZVDHKIZ-RKDXNWHRSA-N 1 0 385.218 1.682 20 5 GDBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234955 655316304 /nfs/dbraw/zinc/31/63/04/655316304.db2.gz UOJTTXZYRMCEQF-ZETCQYMHSA-N 1 0 378.170 1.916 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000841262054 655318052 /nfs/dbraw/zinc/31/80/52/655318052.db2.gz OCRRRHCIHQPMIK-RNCFNFMXSA-N 1 0 397.229 1.425 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841266665 655318310 /nfs/dbraw/zinc/31/83/10/655318310.db2.gz ZBBHROGXRVCHGC-PELKAZGASA-N 1 0 383.202 1.116 20 5 GDBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842009873 655355165 /nfs/dbraw/zinc/35/51/65/655355165.db2.gz BPDIJGUMACOMOA-SNVBAGLBSA-N 1 0 399.245 1.413 20 5 GDBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCO1 ZINC000818012200 655364657 /nfs/dbraw/zinc/36/46/57/655364657.db2.gz KBDJGEWRWLVFCT-SECBINFHSA-N 1 0 376.182 1.686 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1Br ZINC000842482424 655367421 /nfs/dbraw/zinc/36/74/21/655367421.db2.gz VNIHPWPRTAEYEZ-VIFPVBQESA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842791688 655377306 /nfs/dbraw/zinc/37/73/06/655377306.db2.gz YZFLDVGGRSCQGL-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@@H]1C ZINC000842837146 655380557 /nfs/dbraw/zinc/38/05/57/655380557.db2.gz KKYHILGXSMCMJG-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842868974 655381647 /nfs/dbraw/zinc/38/16/47/655381647.db2.gz AZCVSNSBCLQIHF-LBPRGKRZSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000843111183 655388659 /nfs/dbraw/zinc/38/86/59/655388659.db2.gz DRESJHSXBYYYKK-KGLIPLIRSA-N 1 0 385.218 1.238 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837092 655396428 /nfs/dbraw/zinc/39/64/28/655396428.db2.gz GYWCTNFBCAQHJP-GFCCVEGCSA-N 1 0 386.246 1.473 20 5 GDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1[NH+](C)C ZINC000827424477 655510929 /nfs/dbraw/zinc/51/09/29/655510929.db2.gz AHRKIUBVMBIGRF-WDEREUQCSA-N 1 0 389.275 1.870 20 5 GDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1[NH+](C)C ZINC000827424474 655510956 /nfs/dbraw/zinc/51/09/56/655510956.db2.gz AHRKIUBVMBIGRF-GHMZBOCLSA-N 1 0 389.275 1.870 20 5 GDBDRO C[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[NH+](C)C ZINC000849428771 655533600 /nfs/dbraw/zinc/53/36/00/655533600.db2.gz FBWLCPNJEVBZKN-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000858618411 655750726 /nfs/dbraw/zinc/75/07/26/655750726.db2.gz BINMHQWTIPLQPP-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000861685651 655828328 /nfs/dbraw/zinc/82/83/28/655828328.db2.gz WMQZEKMVDXFWCH-SNVBAGLBSA-N 1 0 399.245 1.413 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866828193 655967783 /nfs/dbraw/zinc/96/77/83/655967783.db2.gz VQDUXAWFQOFQGM-GHMZBOCLSA-N 1 0 390.259 1.872 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870972087 656259455 /nfs/dbraw/zinc/25/94/55/656259455.db2.gz RBILLZCJNKXPJG-KYZUINATSA-N 1 0 389.193 1.975 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1Br ZINC000923713614 656594580 /nfs/dbraw/zinc/59/45/80/656594580.db2.gz UXZDNVRJOMBNMX-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO C[NH2+]CCOCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877029271 656647717 /nfs/dbraw/zinc/64/77/17/656647717.db2.gz XJHDTQZTVRZTSZ-UHFFFAOYSA-N 1 0 378.198 1.804 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000881867742 656976664 /nfs/dbraw/zinc/97/66/64/656976664.db2.gz VIGUUNCVNAAXFE-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO COCC[NH2+]CCc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640861 659129558 /nfs/dbraw/zinc/12/95/58/659129558.db2.gz FAUIEUYJNBOTAN-UHFFFAOYSA-N 1 0 384.234 1.776 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164746003 720811116 /nfs/dbraw/zinc/81/11/16/720811116.db2.gz LIAKIKUVHDHMDX-CGTJXYLNSA-N 1 0 399.455 1.199 20 5 GDBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738807 720817396 /nfs/dbraw/zinc/81/73/96/720817396.db2.gz GUQCNOSWOMUSLK-GVDBMIGSSA-N 1 0 383.456 1.961 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@@H]2C1 ZINC001164852626 720866343 /nfs/dbraw/zinc/86/63/43/720866343.db2.gz DWJZDRHKPUOQMW-CJNGLKHVSA-N 1 0 375.429 1.645 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1 ZINC001165011110 721737880 /nfs/dbraw/zinc/73/78/80/721737880.db2.gz LRSHNZVNGFIZGS-UHFFFAOYSA-N 1 0 392.460 1.225 20 5 GDBDRO CSc1nc(Cl)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164926741 721866433 /nfs/dbraw/zinc/86/64/33/721866433.db2.gz SIZOSGXMPAKUQM-WDEREUQCSA-N 1 0 386.909 1.975 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973222 722128710 /nfs/dbraw/zinc/12/87/10/722128710.db2.gz GXQPYLBWCDHJEL-IEBWSBKVSA-N 1 0 399.451 1.659 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000823620993 946457501 /nfs/dbraw/zinc/45/75/01/946457501.db2.gz VIYCUTRQBXFVOE-KBPBESRZSA-N 1 0 388.432 1.350 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000160795014 530554575 /nfs/dbraw/zinc/55/45/75/530554575.db2.gz SLDPGJCRRQGZAC-UHFFFAOYSA-N 1 0 385.262 1.677 20 5 GDBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000177283952 530700402 /nfs/dbraw/zinc/70/04/02/530700402.db2.gz YMUPQMRLDSJIKJ-GFCCVEGCSA-N 1 0 399.289 1.971 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000184685554 530830966 /nfs/dbraw/zinc/83/09/66/530830966.db2.gz AFYWRBCHPRCLAI-JTQLQIEISA-N 1 0 399.245 1.672 20 5 GDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Br)c1 ZINC000125594004 531008065 /nfs/dbraw/zinc/00/80/65/531008065.db2.gz IACYBMAEQJFOGG-CABCVRRESA-N 1 0 399.245 1.580 20 5 GDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000248645026 531080867 /nfs/dbraw/zinc/08/08/67/531080867.db2.gz SEHKNBRRUKSIDH-FBIMIBRVSA-N 1 0 390.259 1.715 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262077579 531106958 /nfs/dbraw/zinc/10/69/58/531106958.db2.gz PZVZVSBJNVGWFZ-GFCCVEGCSA-N 1 0 383.246 1.477 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262875011 531133953 /nfs/dbraw/zinc/13/39/53/531133953.db2.gz VIGHZXHKDLNIJO-UFBFGSQYSA-N 1 0 389.193 1.927 20 5 GDBDRO O=C1CCCN1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000519544418 531214105 /nfs/dbraw/zinc/21/41/05/531214105.db2.gz LNOYTCVEYXCRSW-UHFFFAOYSA-N 1 0 389.193 1.911 20 5 GDBDRO Cc1c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000521000608 531237205 /nfs/dbraw/zinc/23/72/05/531237205.db2.gz XBVUVXUCYSBUKV-NSHDSACASA-N 1 0 386.250 1.772 20 5 GDBDRO CS[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000527073327 531312950 /nfs/dbraw/zinc/31/29/50/531312950.db2.gz JVLIGRXUONTOCG-KGLIPLIRSA-N 1 0 386.499 1.258 20 5 GDBDRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000446254543 531407480 /nfs/dbraw/zinc/40/74/80/531407480.db2.gz YTFBUDHHWAGVLH-UHFFFAOYSA-N 1 0 386.246 1.473 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000267173294 531407546 /nfs/dbraw/zinc/40/75/46/531407546.db2.gz IQPLYFKJMJEMQT-GFCCVEGCSA-N 1 0 388.515 1.742 20 5 GDBDRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267181857 531407904 /nfs/dbraw/zinc/40/79/04/531407904.db2.gz KJKMJZPYOCXMRK-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000447241449 531421067 /nfs/dbraw/zinc/42/10/67/531421067.db2.gz AHCZGZPUCFSRPC-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000447249089 531422891 /nfs/dbraw/zinc/42/28/91/531422891.db2.gz WJEPIMNFXNGFAW-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415348959 531477784 /nfs/dbraw/zinc/47/77/84/531477784.db2.gz WEJNDHBOZGMLPQ-MRVPVSSYSA-N 1 0 385.218 1.425 20 5 GDBDRO CCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000415394381 531482321 /nfs/dbraw/zinc/48/23/21/531482321.db2.gz QHJZFCFOJOKJGM-GFCCVEGCSA-N 1 0 399.245 1.896 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415413491 531483923 /nfs/dbraw/zinc/48/39/23/531483923.db2.gz YTXBAWUOQHRDPV-JTQLQIEISA-N 1 0 399.245 1.720 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415668507 531511596 /nfs/dbraw/zinc/51/15/96/531511596.db2.gz ZXTINRXNLRHWIF-QPUJVOFHSA-N 1 0 385.218 1.410 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415601873 531500779 /nfs/dbraw/zinc/50/07/79/531500779.db2.gz LUDBFIGMSJTWGC-OAHLLOKOSA-N 1 0 397.229 1.508 20 5 GDBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000581662217 531506337 /nfs/dbraw/zinc/50/63/37/531506337.db2.gz AWKTWOWBJNKEQF-LLVKDONJSA-N 1 0 386.451 1.589 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000415786087 531530106 /nfs/dbraw/zinc/53/01/06/531530106.db2.gz IXTWGFKKZMIKRT-VIFPVBQESA-N 1 0 395.160 1.395 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415791854 531531552 /nfs/dbraw/zinc/53/15/52/531531552.db2.gz SSFQMTPCUYJVTK-RNCFNFMXSA-N 1 0 397.229 1.506 20 5 GDBDRO C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415851633 531543404 /nfs/dbraw/zinc/54/34/04/531543404.db2.gz PSKZSBYPKKPXMX-VHSXEESVSA-N 1 0 399.245 1.739 20 5 GDBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000491155605 531550771 /nfs/dbraw/zinc/55/07/71/531550771.db2.gz KJVCQKYBDOUHQE-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295268099 531552302 /nfs/dbraw/zinc/55/23/02/531552302.db2.gz RVTKSZKFTGOVRW-UHFFFAOYSA-N 1 0 398.268 1.637 20 5 GDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281220378 531594754 /nfs/dbraw/zinc/59/47/54/531594754.db2.gz SYKKROMUCDVYAU-UHFFFAOYSA-N 1 0 387.234 1.672 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591683980 531736175 /nfs/dbraw/zinc/73/61/75/531736175.db2.gz GMKWKGZWQCYONO-UFBFGSQYSA-N 1 0 389.193 1.927 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH3+] ZINC000591678919 531733797 /nfs/dbraw/zinc/73/37/97/531733797.db2.gz JFZHOHOOPZLIEX-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592102881 531761216 /nfs/dbraw/zinc/76/12/16/531761216.db2.gz BVBVJWZAQLJQMC-UHFFFAOYSA-N 1 0 389.861 1.734 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269960745 531814110 /nfs/dbraw/zinc/81/41/10/531814110.db2.gz JAIVTJLIKWUOSR-NSHDSACASA-N 1 0 386.250 1.725 20 5 GDBDRO O=C1CC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)N1 ZINC000594985803 531863844 /nfs/dbraw/zinc/86/38/44/531863844.db2.gz ADJUYFMWOWBQTB-JTQLQIEISA-N 1 0 375.166 1.568 20 5 GDBDRO CS[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000596197605 531912576 /nfs/dbraw/zinc/91/25/76/531912576.db2.gz SMILZQFVFPFDBK-KBPBESRZSA-N 1 0 386.499 1.258 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101760 532005335 /nfs/dbraw/zinc/00/53/35/532005335.db2.gz BEQLHPSONXFVPM-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH3+] ZINC000574988001 532007123 /nfs/dbraw/zinc/00/71/23/532007123.db2.gz ATSFNZSWUOMNCP-ZETCQYMHSA-N 1 0 377.182 1.975 20 5 GDBDRO C[NH+](C)C1CCN(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271393720 532010957 /nfs/dbraw/zinc/01/09/57/532010957.db2.gz MJTOBUBWISBHNH-UHFFFAOYSA-N 1 0 376.504 1.498 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420451369 532015763 /nfs/dbraw/zinc/01/57/63/532015763.db2.gz QHAAKZWLUJEJKI-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000420471141 532020744 /nfs/dbraw/zinc/02/07/44/532020744.db2.gz APBCWQJFAHAKDL-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000578560901 532052217 /nfs/dbraw/zinc/05/22/17/532052217.db2.gz IESLUEGAEBHIJT-QMMMGPOBSA-N 1 0 398.222 1.722 20 5 GDBDRO CCNC(=O)CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425383928 532136577 /nfs/dbraw/zinc/13/65/77/532136577.db2.gz LFEZQGRJDRXVHH-UHFFFAOYSA-N 1 0 385.262 1.611 20 5 GDBDRO C[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000289193988 532317732 /nfs/dbraw/zinc/31/77/32/532317732.db2.gz QXJJULFGJYJYJI-UHFFFAOYSA-N 1 0 397.284 1.427 20 5 GDBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)NCCF ZINC000289738864 532331510 /nfs/dbraw/zinc/33/15/10/532331510.db2.gz GSESHUZXCNPUFO-MRVPVSSYSA-N 1 0 395.172 1.763 20 5 GDBDRO O=C1NCCCC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289938721 532334423 /nfs/dbraw/zinc/33/44/23/532334423.db2.gz PMGHAVSVTVHAEN-LBPRGKRZSA-N 1 0 389.193 1.958 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640256 607345464 /nfs/dbraw/zinc/34/54/64/607345464.db2.gz ZABVDAVJJFPZHE-OAHLLOKOSA-N 1 0 387.444 1.856 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000738370028 599358300 /nfs/dbraw/zinc/35/83/00/599358300.db2.gz MUFQKPQBDWZMAM-AWEZNQCLSA-N 1 0 396.411 1.735 20 5 GDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169896 599567453 /nfs/dbraw/zinc/56/74/53/599567453.db2.gz HVYJVNKRJDKSFZ-WBMJQRKESA-N 1 0 386.416 1.415 20 5 GDBDRO C[C@@H]1C[N@@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820758648 606719469 /nfs/dbraw/zinc/71/94/69/606719469.db2.gz AUFZDMSCSOQRFB-TXEJJXNPSA-N 1 0 376.421 1.471 20 5 GDBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000821586150 606796552 /nfs/dbraw/zinc/79/65/52/606796552.db2.gz LUQVACJKDVYBNC-UHFFFAOYSA-N 1 0 396.411 1.374 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1-c1nn[nH]n1 ZINC000826077584 608019604 /nfs/dbraw/zinc/01/96/04/608019604.db2.gz NJIAVNTZRFKVAD-UHFFFAOYSA-N 1 0 385.388 1.211 20 5 GDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826501860 608061788 /nfs/dbraw/zinc/06/17/88/608061788.db2.gz KKQIDHMREQWMOQ-UHFFFAOYSA-N 1 0 381.396 1.601 20 5 GDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826500607 609388850 /nfs/dbraw/zinc/38/88/50/609388850.db2.gz FBMMYNHBFDIFOV-OAHLLOKOSA-N 1 0 396.411 1.349 20 5 GDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826500741 609608141 /nfs/dbraw/zinc/60/81/41/609608141.db2.gz KQJIVHCTDJBVQC-OAHLLOKOSA-N 1 0 396.407 1.794 20 5 GDBDRO CS[C@H]1CN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000536171111 650266599 /nfs/dbraw/zinc/26/65/99/650266599.db2.gz JNWBXFONYVCAPF-GJZGRUSLSA-N 1 0 388.515 1.327 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564410936 650757550 /nfs/dbraw/zinc/75/75/50/650757550.db2.gz YHJKYTSGIPRADH-ZDUSSCGKSA-N 1 0 393.225 1.602 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000119397299 644657998 /nfs/dbraw/zinc/65/79/98/644657998.db2.gz LTKGFFGAVZIHJE-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000124947310 644710628 /nfs/dbraw/zinc/71/06/28/644710628.db2.gz LZGBNTJBRJWKPN-RKDXNWHRSA-N 1 0 378.248 1.906 20 5 GDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000421292719 646001651 /nfs/dbraw/zinc/00/16/51/646001651.db2.gz BJOXFCHWNAIQKD-GFCCVEGCSA-N 1 0 399.245 1.848 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422558873 646079014 /nfs/dbraw/zinc/07/90/14/646079014.db2.gz ZWFBDFVQUKDWEC-VWYCJHECSA-N 1 0 375.422 1.736 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@@H]2C1 ZINC000916662529 660198315 /nfs/dbraw/zinc/19/83/15/660198315.db2.gz YRQGNIZLLQVCTJ-ZJUUUORDSA-N 1 0 377.825 1.960 20 5 GDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000575400185 651594879 /nfs/dbraw/zinc/59/48/79/651594879.db2.gz SEGHVGFKPQPQRO-SNVBAGLBSA-N 1 0 375.166 1.681 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593731259 652244878 /nfs/dbraw/zinc/24/48/78/652244878.db2.gz BWPOWQHKQYMKKQ-GWCFXTLKSA-N 1 0 375.422 1.881 20 5 GDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000594357652 652280489 /nfs/dbraw/zinc/28/04/89/652280489.db2.gz KCIOKDCHHNRTJZ-OAHLLOKOSA-N 1 0 384.230 1.544 20 5 GDBDRO C[NH+](C)CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000597707312 652457517 /nfs/dbraw/zinc/45/75/17/652457517.db2.gz DANUJHQBURPDHF-UHFFFAOYSA-N 1 0 389.193 1.833 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599896279 652517270 /nfs/dbraw/zinc/51/72/70/652517270.db2.gz PAGFUHYITUJNLJ-KWQFWETISA-N 1 0 399.245 1.861 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000599903854 652517768 /nfs/dbraw/zinc/51/77/68/652517768.db2.gz OTEGJTWTSXWTFM-WCBMZHEXSA-N 1 0 385.218 1.471 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938876 652519248 /nfs/dbraw/zinc/51/92/48/652519248.db2.gz SDKRTHQQZMTISA-NEPJUHHUSA-N 1 0 384.230 1.638 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601376472 652572874 /nfs/dbraw/zinc/57/28/74/652572874.db2.gz HNDNVPILDCQJAW-YNEHKIRRSA-N 1 0 389.499 1.837 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610409231 652883190 /nfs/dbraw/zinc/88/31/90/652883190.db2.gz BCMCIGIPKKKGGS-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO O=[N+]([O-])c1nn(CN2CC[NH+](CC3CCOCC3)CC2)cc1Br ZINC000736281379 654590816 /nfs/dbraw/zinc/59/08/16/654590816.db2.gz DEXGXSVWYKDGFD-UHFFFAOYSA-N 1 0 388.266 1.556 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746644910 654765947 /nfs/dbraw/zinc/76/59/47/654765947.db2.gz CUXHGVZOMQXBCI-RTXFEEFZSA-N 1 0 388.266 1.695 20 5 GDBDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810367432 655156936 /nfs/dbraw/zinc/15/69/36/655156936.db2.gz XIUCLGRFHVTWSG-UHFFFAOYSA-N 1 0 385.218 1.508 20 5 GDBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000811482628 655197841 /nfs/dbraw/zinc/19/78/41/655197841.db2.gz ZQGOZMMMTFQTPH-UHFFFAOYSA-N 1 0 383.253 1.931 20 5 GDBDRO COC(=O)[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840959106 655306300 /nfs/dbraw/zinc/30/63/00/655306300.db2.gz TYNSKSJUWFQSGD-NSHDSACASA-N 1 0 386.246 1.894 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841156923 655310949 /nfs/dbraw/zinc/31/09/49/655310949.db2.gz BHBNVSLOLPTGOV-JTQLQIEISA-N 1 0 399.245 1.802 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841223223 655315517 /nfs/dbraw/zinc/31/55/17/655315517.db2.gz CSPWNLZAZNFVCD-PHIMTYICSA-N 1 0 397.229 1.649 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000841289938 655318735 /nfs/dbraw/zinc/31/87/35/655318735.db2.gz HYUGARKBJFOYKM-UHFFFAOYSA-N 1 0 399.245 1.863 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000842479697 655366647 /nfs/dbraw/zinc/36/66/47/655366647.db2.gz DKWOUSBNBZTLCV-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1Br ZINC000842482813 655367402 /nfs/dbraw/zinc/36/74/02/655367402.db2.gz ZGKGDJOMSGPYLH-SECBINFHSA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000842485213 655368029 /nfs/dbraw/zinc/36/80/29/655368029.db2.gz FHRBTXNYRWQZTA-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000842743532 655374725 /nfs/dbraw/zinc/37/47/25/655374725.db2.gz ISBFSFDGHJLABT-KCJUWKMLSA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842794763 655377660 /nfs/dbraw/zinc/37/76/60/655377660.db2.gz WPLUNTMEHCJRTO-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000846229449 655450118 /nfs/dbraw/zinc/45/01/18/655450118.db2.gz BGHQUKJTNGSMJY-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO C[NH+](C)[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCSC1 ZINC000826638796 655499599 /nfs/dbraw/zinc/49/95/99/655499599.db2.gz QNRLZZURYLPUEE-CYBMUJFWSA-N 1 0 389.275 1.919 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC000857236439 655731668 /nfs/dbraw/zinc/73/16/68/655731668.db2.gz YWECQWWBDOAXNA-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO CN1CC[NH+](C2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)CC1 ZINC000866211591 655936257 /nfs/dbraw/zinc/93/62/57/655936257.db2.gz DJVXWISVUNRZBF-UHFFFAOYSA-N 1 0 384.278 1.969 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000868089109 656140321 /nfs/dbraw/zinc/14/03/21/656140321.db2.gz MCUYSFJTNYAMKK-CYBMUJFWSA-N 1 0 397.273 1.406 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343187 656151206 /nfs/dbraw/zinc/15/12/06/656151206.db2.gz GWKGNYKVVQLBNR-QWHCGFSZSA-N 1 0 398.257 1.567 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000871815805 656283311 /nfs/dbraw/zinc/28/33/11/656283311.db2.gz UOQTWVVTFDKGQU-GXFFZTMASA-N 1 0 379.360 1.844 20 5 GDBDRO C[C@@]12C[NH+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877668196 656686886 /nfs/dbraw/zinc/68/68/86/656686886.db2.gz GDTVGTVDYRJFMC-GJZGRUSLSA-N 1 0 382.214 1.842 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000929259877 656957019 /nfs/dbraw/zinc/95/70/19/656957019.db2.gz QFQFIIVCTXZILN-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000932831232 657226588 /nfs/dbraw/zinc/22/65/88/657226588.db2.gz IYRQBMMGNXAJTI-CYBMUJFWSA-N 1 0 398.257 1.820 20 5 GDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1C[NH+]([C@H]2CCOC2)C1 ZINC000899213958 658996026 /nfs/dbraw/zinc/99/60/26/658996026.db2.gz NWACVFPGOYYRQO-ZDUSSCGKSA-N 1 0 384.230 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)s1 ZINC000903560989 659341026 /nfs/dbraw/zinc/34/10/26/659341026.db2.gz APOXOWTZWDDNEK-BETUJISGSA-N 1 0 386.499 1.246 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)CC1 ZINC001164617035 719028069 /nfs/dbraw/zinc/02/80/69/719028069.db2.gz JHEAEJYVXJZJOX-UHFFFAOYSA-N 1 0 377.445 1.816 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3N)CC2)CC1 ZINC001164618659 719031598 /nfs/dbraw/zinc/03/15/98/719031598.db2.gz ZJRTUDUTAMWBNW-UHFFFAOYSA-N 1 0 377.445 1.816 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164807944 720140197 /nfs/dbraw/zinc/14/01/97/720140197.db2.gz DACDDIAMKLERKG-APWZRJJASA-N 1 0 376.457 1.721 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820641 720313424 /nfs/dbraw/zinc/31/34/24/720313424.db2.gz HZEWEFPCHGTSTK-CVEARBPZSA-N 1 0 388.472 1.605 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164737547 720661389 /nfs/dbraw/zinc/66/13/89/720661389.db2.gz GAZAGYZWFNFZNP-OLZOCXBDSA-N 1 0 387.356 1.030 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164746004 720811064 /nfs/dbraw/zinc/81/10/64/720811064.db2.gz LIAKIKUVHDHMDX-KBAYOESNSA-N 1 0 399.455 1.199 20 5 GDBDRO Nc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164748247 720835056 /nfs/dbraw/zinc/83/50/56/720835056.db2.gz STWQRGAKNLXGFI-ARFHVFGLSA-N 1 0 398.471 1.543 20 5 GDBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164924107 721853819 /nfs/dbraw/zinc/85/38/19/721853819.db2.gz CBJIVSZSHUVJGT-WDEREUQCSA-N 1 0 398.851 1.039 20 5 GDBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000158573493 530534297 /nfs/dbraw/zinc/53/42/97/530534297.db2.gz PSDQDYGOTSYOCO-MRVPVSSYSA-N 1 0 375.166 1.763 20 5 GDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000178516465 530722570 /nfs/dbraw/zinc/72/25/70/530722570.db2.gz ZECOFVZMHZMJAJ-MRVPVSSYSA-N 1 0 375.166 1.620 20 5 GDBDRO C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000079351873 530808114 /nfs/dbraw/zinc/80/81/14/530808114.db2.gz KWISFPKKQZUBDZ-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000186854693 530863836 /nfs/dbraw/zinc/86/38/36/530863836.db2.gz UDZIBAYGCILRLS-PRHODGIISA-N 1 0 389.193 1.927 20 5 GDBDRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185349793 530841120 /nfs/dbraw/zinc/84/11/20/530841120.db2.gz MIDUKFNOYMAVMU-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000189102741 530908593 /nfs/dbraw/zinc/90/85/93/530908593.db2.gz RTHCQSKXGCEHHZ-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)C2)CC1 ZINC000123801940 530987794 /nfs/dbraw/zinc/98/77/94/530987794.db2.gz LCNAYXQHMWXFGC-CYBMUJFWSA-N 1 0 388.515 1.365 20 5 GDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000125632032 531008960 /nfs/dbraw/zinc/00/89/60/531008960.db2.gz UCQRUPWHHYOQSN-SECBINFHSA-N 1 0 389.193 1.881 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236626499 531038160 /nfs/dbraw/zinc/03/81/60/531038160.db2.gz CBDXGDRLMRNMOI-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237724619 531049306 /nfs/dbraw/zinc/04/93/06/531049306.db2.gz OTQMKCUYOFZJNY-UHFFFAOYSA-N 1 0 378.248 1.650 20 5 GDBDRO CO[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000261725587 531097419 /nfs/dbraw/zinc/09/74/19/531097419.db2.gz RDGIDJSSBRMSMN-MNOVXSKESA-N 1 0 377.850 1.683 20 5 GDBDRO COCC1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262097039 531107475 /nfs/dbraw/zinc/10/74/75/531107475.db2.gz VFURBMSSAZEKDC-UHFFFAOYSA-N 1 0 377.850 1.543 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000474157020 531270134 /nfs/dbraw/zinc/27/01/34/531270134.db2.gz IHZLKPOGWIXGCV-GFCCVEGCSA-N 1 0 377.488 1.778 20 5 GDBDRO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440425357 531338865 /nfs/dbraw/zinc/33/88/65/531338865.db2.gz HUWTZVLMDPZOKQ-GZMMTYOYSA-N 1 0 378.248 1.763 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000440822187 531346527 /nfs/dbraw/zinc/34/65/27/531346527.db2.gz ALADUMJEKPUKEI-ZKCHVHJHSA-N 1 0 394.247 1.442 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447244159 531422334 /nfs/dbraw/zinc/42/23/34/531422334.db2.gz JMVWQPQZILIYLF-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000267846009 531455791 /nfs/dbraw/zinc/45/57/91/531455791.db2.gz CYWGRLVDJJCJTH-ZDUSSCGKSA-N 1 0 375.447 1.239 20 5 GDBDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415392843 531482587 /nfs/dbraw/zinc/48/25/87/531482587.db2.gz YNCLCAOKDQLLIL-SECBINFHSA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415668508 531512575 /nfs/dbraw/zinc/51/25/75/531512575.db2.gz ZXTINRXNLRHWIF-UFBFGSQYSA-N 1 0 385.218 1.410 20 5 GDBDRO C[C@@]1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415573916 531497156 /nfs/dbraw/zinc/49/71/56/531497156.db2.gz QOVYGACXMWIPMZ-OAHLLOKOSA-N 1 0 399.245 1.802 20 5 GDBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415851631 531543346 /nfs/dbraw/zinc/54/33/46/531543346.db2.gz PSKZSBYPKKPXMX-NXEZZACHSA-N 1 0 399.245 1.739 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000366305521 531735486 /nfs/dbraw/zinc/73/54/86/531735486.db2.gz KEPFSWFUNMWDHK-CABZTGNLSA-N 1 0 379.360 1.986 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC1C[NH2+]C1 ZINC000591682147 531735996 /nfs/dbraw/zinc/73/59/96/531735996.db2.gz YNPRGHRPLRLGDM-UHFFFAOYSA-N 1 0 375.166 1.457 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452104357 531764597 /nfs/dbraw/zinc/76/45/97/531764597.db2.gz LUXVOIARZRIYNZ-LLVKDONJSA-N 1 0 375.422 1.846 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000270565061 531894665 /nfs/dbraw/zinc/89/46/65/531894665.db2.gz LQOCPOCOENNUIW-AAEUAGOBSA-N 1 0 375.472 1.270 20 5 GDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597574977 531947191 /nfs/dbraw/zinc/94/71/91/531947191.db2.gz UXUGTOKJCXKEFH-OAHLLOKOSA-N 1 0 386.246 1.886 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000419809720 531972526 /nfs/dbraw/zinc/97/25/26/531972526.db2.gz HKYGDOZHAYRTSW-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573247731 531977761 /nfs/dbraw/zinc/97/77/61/531977761.db2.gz JGZIHYGYKXYTOC-ZJUUUORDSA-N 1 0 379.360 1.844 20 5 GDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598724548 531992214 /nfs/dbraw/zinc/99/22/14/531992214.db2.gz JWYAQUDAEQAGAL-TVQRCGJNSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000420464053 532018594 /nfs/dbraw/zinc/01/85/94/532018594.db2.gz OSLBGHLROLQABT-QMMMGPOBSA-N 1 0 388.190 1.618 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000581428951 532081355 /nfs/dbraw/zinc/08/13/55/532081355.db2.gz MOWGEISQQWKIKB-MWLCHTKSSA-N 1 0 379.360 1.986 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289328224 532321431 /nfs/dbraw/zinc/32/14/31/532321431.db2.gz VIRJZGDCBSUODQ-GFCCVEGCSA-N 1 0 383.246 1.477 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@]2(CCO)CCOC2)c1 ZINC000289517728 532326469 /nfs/dbraw/zinc/32/64/69/532326469.db2.gz NOANDJTXOIKBPM-CYBMUJFWSA-N 1 0 392.193 1.831 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@]2(CCO)CCOC2)c1 ZINC000289517733 532326818 /nfs/dbraw/zinc/32/68/18/532326818.db2.gz NOANDJTXOIKBPM-ZDUSSCGKSA-N 1 0 392.193 1.831 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CC=CC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823646080 599047488 /nfs/dbraw/zinc/04/74/88/599047488.db2.gz ZSVXKIKODXNLCZ-CYBMUJFWSA-N 1 0 378.396 1.774 20 5 GDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000823634170 599449975 /nfs/dbraw/zinc/44/99/75/599449975.db2.gz BNPWRLRJHBSOJG-CQSZACIVSA-N 1 0 397.443 1.626 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)nc1 ZINC000823640121 607068994 /nfs/dbraw/zinc/06/89/94/607068994.db2.gz UCMQKQVTLHOKOK-CYBMUJFWSA-N 1 0 384.375 1.995 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533465845 650053237 /nfs/dbraw/zinc/05/32/37/650053237.db2.gz KWGJIHGQLISGLR-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551476374 650607433 /nfs/dbraw/zinc/60/74/33/650607433.db2.gz SQKGVRBNDGOEMI-SNVBAGLBSA-N 1 0 399.245 1.848 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000119237547 644657313 /nfs/dbraw/zinc/65/73/13/644657313.db2.gz DUPZCMFUIOPGEK-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178920123 644928316 /nfs/dbraw/zinc/92/83/16/644928316.db2.gz KDNFQVNXFKAFIZ-VIFPVBQESA-N 1 0 378.248 1.696 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000178938948 644928899 /nfs/dbraw/zinc/92/88/99/644928899.db2.gz SKFLXWLXWGGPGC-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000261765341 645116691 /nfs/dbraw/zinc/11/66/91/645116691.db2.gz ROLUDTYKGNBKSJ-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000261833459 645118312 /nfs/dbraw/zinc/11/83/12/645118312.db2.gz YZJAAWKVLJCLPG-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC(F)(F)F ZINC000420970365 645976572 /nfs/dbraw/zinc/97/65/72/645976572.db2.gz FJSRHHFRVNSBEN-NSHDSACASA-N 1 0 385.364 1.118 20 5 GDBDRO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000520216805 648646076 /nfs/dbraw/zinc/64/60/76/648646076.db2.gz GXDCYLXTUGDTLK-PELKAZGASA-N 1 0 387.177 1.633 20 5 GDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000572504098 651098825 /nfs/dbraw/zinc/09/88/25/651098825.db2.gz ACRGJVRAXXQRCT-LLVKDONJSA-N 1 0 385.218 1.506 20 5 GDBDRO CO[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000580828274 651941983 /nfs/dbraw/zinc/94/19/83/651941983.db2.gz BMRROTXJTGRVMB-QWHCGFSZSA-N 1 0 386.246 1.865 20 5 GDBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000582546245 652003794 /nfs/dbraw/zinc/00/37/94/652003794.db2.gz IFOLIIUVAFCTBJ-QMMMGPOBSA-N 1 0 396.263 1.690 20 5 GDBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000591732489 652164612 /nfs/dbraw/zinc/16/46/12/652164612.db2.gz CKJWPOISJMHWQG-GFCCVEGCSA-N 1 0 385.218 1.713 20 5 GDBDRO Cc1c(Br)c(N2CCN(CC[NH+](C)C)C(=O)C2)ncc1[N+](=O)[O-] ZINC000593486437 652213684 /nfs/dbraw/zinc/21/36/84/652213684.db2.gz XGULKLQMPQWEMF-UHFFFAOYSA-N 1 0 386.250 1.271 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000593730950 652244885 /nfs/dbraw/zinc/24/48/85/652244885.db2.gz PAUBMLNTEBNQMI-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594822637 652373807 /nfs/dbraw/zinc/37/38/07/652373807.db2.gz XNDZDVIGISPRBH-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595384060 652415386 /nfs/dbraw/zinc/41/53/86/652415386.db2.gz IMALSTWOGIJBFD-ZDUSSCGKSA-N 1 0 389.861 1.468 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)c1 ZINC000595384036 652415414 /nfs/dbraw/zinc/41/54/14/652415414.db2.gz HWZBEQXPNVYYCH-ZDUSSCGKSA-N 1 0 389.861 1.468 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599415743 652494092 /nfs/dbraw/zinc/49/40/92/652494092.db2.gz QRYGAOURNMZCDF-LLVKDONJSA-N 1 0 375.422 1.753 20 5 GDBDRO C[NH+](C)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000600471561 652541689 /nfs/dbraw/zinc/54/16/89/652541689.db2.gz LQLPCORKIPMFQX-GFCCVEGCSA-N 1 0 387.227 1.912 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000603404741 652711787 /nfs/dbraw/zinc/71/17/87/652711787.db2.gz YNVQFEXKBYIHKC-UHFFFAOYSA-N 1 0 376.504 1.271 20 5 GDBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H]1[NH3+] ZINC000701031200 654832194 /nfs/dbraw/zinc/83/21/94/654832194.db2.gz RFHOJGXYBIIRAS-RDDDGLTNSA-N 1 0 375.166 1.619 20 5 GDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000841152867 655310763 /nfs/dbraw/zinc/31/07/63/655310763.db2.gz NJTRZGPKAVJPOW-UHFFFAOYSA-N 1 0 387.234 1.720 20 5 GDBDRO CC1([NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841221898 655315531 /nfs/dbraw/zinc/31/55/31/655315531.db2.gz MKWAYOBMCGSWHJ-UHFFFAOYSA-N 1 0 385.218 1.636 20 5 GDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841227655 655315721 /nfs/dbraw/zinc/31/57/21/655315721.db2.gz LIBCIIWTRKXLJX-JOYOIKCWSA-N 1 0 399.245 1.882 20 5 GDBDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841302808 655318881 /nfs/dbraw/zinc/31/88/81/655318881.db2.gz BZSWISKXHGBJTL-UHFFFAOYSA-N 1 0 397.229 1.722 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000841524387 655336965 /nfs/dbraw/zinc/33/69/65/655336965.db2.gz MEYWAGDBUUAPEO-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCO1 ZINC000842484359 655367834 /nfs/dbraw/zinc/36/78/34/655367834.db2.gz DIJBJYBNCCMHEW-SECBINFHSA-N 1 0 394.247 1.096 20 5 GDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F)n1 ZINC000850517749 655557081 /nfs/dbraw/zinc/55/70/81/655557081.db2.gz AMGXDDDDKFKFBH-MNOVXSKESA-N 1 0 384.380 1.842 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000853337651 655638529 /nfs/dbraw/zinc/63/85/29/655638529.db2.gz PAAIYNXTWIGPMO-CQSZACIVSA-N 1 0 385.218 1.472 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858615754 655750443 /nfs/dbraw/zinc/75/04/43/655750443.db2.gz KUZBMJHSFICQIB-CYBMUJFWSA-N 1 0 392.275 1.976 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861515851 655824289 /nfs/dbraw/zinc/82/42/89/655824289.db2.gz PIHWDVVVRDFQMJ-WDEREUQCSA-N 1 0 385.218 1.553 20 5 GDBDRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000861525496 655824595 /nfs/dbraw/zinc/82/45/95/655824595.db2.gz ZDZRXYMESQVHHA-SCZZXKLOSA-N 1 0 385.218 1.553 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000867323440 656038193 /nfs/dbraw/zinc/03/81/93/656038193.db2.gz DWVKZIMEIJEQTR-UHFFFAOYSA-N 1 0 378.248 1.539 20 5 GDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000870971146 656259396 /nfs/dbraw/zinc/25/93/96/656259396.db2.gz FEUGCBSRTAUEGB-GVJMRKKJSA-N 1 0 375.166 1.667 20 5 GDBDRO C[C@@]12C[NH+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@]1(C)C(=O)NC2=O ZINC000879155794 656778529 /nfs/dbraw/zinc/77/85/29/656778529.db2.gz IHWYTNRLDJMZJR-GJZGRUSLSA-N 1 0 382.214 1.842 20 5 GDBDRO C[N@H+](CCO)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000899736658 659056873 /nfs/dbraw/zinc/05/68/73/659056873.db2.gz OBJKKHWYBUKPJF-UHFFFAOYSA-N 1 0 380.626 1.665 20 5 GDBDRO C[NH+]1CCN(Cc2cn(Cc3cc([N+](=O)[O-])ccc3Br)nn2)CC1 ZINC000900595795 659125422 /nfs/dbraw/zinc/12/54/22/659125422.db2.gz PQRQQMDKQWGLHZ-UHFFFAOYSA-N 1 0 395.261 1.745 20 5 GDBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000905228556 659435001 /nfs/dbraw/zinc/43/50/01/659435001.db2.gz FHEHENRKDOSKPS-GFCCVEGCSA-N 1 0 392.275 1.469 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164740880 720611554 /nfs/dbraw/zinc/61/15/54/720611554.db2.gz JNEHKBGNSQCTOH-QWHCGFSZSA-N 1 0 376.804 1.775 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856861 720858176 /nfs/dbraw/zinc/85/81/76/720858176.db2.gz PQIXGLLFHFDWEV-TZMCWYRMSA-N 1 0 386.836 1.055 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)cc([N+](=O)[O-])n1)CC2 ZINC001164750607 720952449 /nfs/dbraw/zinc/95/24/49/720952449.db2.gz LXGBWZSTGCISKZ-UHFFFAOYSA-N 1 0 394.819 1.485 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871033 721047182 /nfs/dbraw/zinc/04/71/82/721047182.db2.gz XZSKRQCIWUCTTP-KBPBESRZSA-N 1 0 390.831 1.913 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868617 721062804 /nfs/dbraw/zinc/06/28/04/721062804.db2.gz OQRUTZLDWQBECQ-HOTGVXAUSA-N 1 0 385.424 1.873 20 5 GDBDRO Nc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164979028 722125876 /nfs/dbraw/zinc/12/58/76/722125876.db2.gz OTCITKPLHCXBSW-CRAIPNDOSA-N 1 0 384.440 1.694 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979732 722137877 /nfs/dbraw/zinc/13/78/77/722137877.db2.gz LWRDXQISPVPWHW-CRAIPNDOSA-N 1 0 384.440 1.694 20 5 GDBDRO C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001598612251 993801010 /nfs/dbraw/zinc/80/10/10/993801010.db2.gz QCKISUXCBCTRFD-UHFFFAOYSA-N 1 0 380.445 1.174 20 5 GDBDRO CC[NH+]1CCN(C[C@@H](C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181459672 530783754 /nfs/dbraw/zinc/78/37/54/530783754.db2.gz NKHGTAKCVQBKKJ-LBPRGKRZSA-N 1 0 390.531 1.745 20 5 GDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+]1CCN(C)CC1 ZINC000180576487 530767776 /nfs/dbraw/zinc/76/77/76/530767776.db2.gz SXPLPSSGGXQAFB-LBPRGKRZSA-N 1 0 399.289 1.971 20 5 GDBDRO C[NH+](C)C[C@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000108952162 530860336 /nfs/dbraw/zinc/86/03/36/530860336.db2.gz ODCYFFTZXWIVJC-NSHDSACASA-N 1 0 391.209 1.966 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187341960 530871524 /nfs/dbraw/zinc/87/15/24/530871524.db2.gz HGPOYVKRCUPIAJ-WDEREUQCSA-N 1 0 375.422 1.894 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000122167371 530967173 /nfs/dbraw/zinc/96/71/73/530967173.db2.gz OJAPTNLEGQTIPG-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000193990889 530997584 /nfs/dbraw/zinc/99/75/84/530997584.db2.gz RPCPLDZQFQTCDK-UHFFFAOYSA-N 1 0 390.893 1.472 20 5 GDBDRO Cc1sc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000124646609 530998212 /nfs/dbraw/zinc/99/82/12/530998212.db2.gz GVTQUDVNLPHVHT-CQSZACIVSA-N 1 0 390.531 1.515 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000153264006 531165067 /nfs/dbraw/zinc/16/50/67/531165067.db2.gz IJHNAWYGDUVFRY-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440834339 531347581 /nfs/dbraw/zinc/34/75/81/531347581.db2.gz VGJGGRBKDMUPJQ-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000447246243 531422153 /nfs/dbraw/zinc/42/21/53/531422153.db2.gz HAYXIMJNZQCDBQ-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000413820420 531418456 /nfs/dbraw/zinc/41/84/56/531418456.db2.gz QPWPOOYMALCHIL-ZDUSSCGKSA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415651962 531509112 /nfs/dbraw/zinc/50/91/12/531509112.db2.gz CZIZLBMHYVKAPS-SCZZXKLOSA-N 1 0 385.218 1.553 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416457544 531623114 /nfs/dbraw/zinc/62/31/14/531623114.db2.gz OLDSDTYJHFBRRT-UHFFFAOYSA-N 1 0 385.364 1.470 20 5 GDBDRO C[C@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000451906000 531710527 /nfs/dbraw/zinc/71/05/27/531710527.db2.gz ICRGILKLFVDCIK-LSDHHAIUSA-N 1 0 389.239 1.956 20 5 GDBDRO C[C@H]1SCC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000592001201 531748393 /nfs/dbraw/zinc/74/83/93/531748393.db2.gz QFWYDLVOBLCACP-DGCLKSJQSA-N 1 0 388.515 1.741 20 5 GDBDRO CCN(CCSC)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000591999219 531748665 /nfs/dbraw/zinc/74/86/65/531748665.db2.gz CNMVHJJDJYGWON-UHFFFAOYSA-N 1 0 390.531 1.624 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452104359 531764126 /nfs/dbraw/zinc/76/41/26/531764126.db2.gz LUXVOIARZRIYNZ-NSHDSACASA-N 1 0 375.422 1.846 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000592387268 531784008 /nfs/dbraw/zinc/78/40/08/531784008.db2.gz DKQFGOTUPAJAPB-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367797160 531865530 /nfs/dbraw/zinc/86/55/30/531865530.db2.gz JGQAKMSOHNBPNL-MWLCHTKSSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000298642707 531907600 /nfs/dbraw/zinc/90/76/00/531907600.db2.gz RNBIRIKCANUPHD-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597989346 531962071 /nfs/dbraw/zinc/96/20/71/531962071.db2.gz FCBUUVVBJRAXJB-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000571451908 531953394 /nfs/dbraw/zinc/95/33/94/531953394.db2.gz CVAKANIZACMRQY-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000599101316 532004508 /nfs/dbraw/zinc/00/45/08/532004508.db2.gz CERXUXQRJPXBDC-UHFFFAOYSA-N 1 0 383.348 1.400 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420481096 532021414 /nfs/dbraw/zinc/02/14/14/532021414.db2.gz QENMCDHYZAURTL-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301671007 532038564 /nfs/dbraw/zinc/03/85/64/532038564.db2.gz FKKRUHQXQZGNMD-ZDUSSCGKSA-N 1 0 384.278 1.969 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000600669423 532049814 /nfs/dbraw/zinc/04/98/14/532049814.db2.gz LSFSFOPMDRFPCG-IWIIMEHWSA-N 1 0 390.259 1.538 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000374185243 532113707 /nfs/dbraw/zinc/11/37/07/532113707.db2.gz CPDVBZARUIRUFO-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000332417581 532185039 /nfs/dbraw/zinc/18/50/39/532185039.db2.gz OAPQSODZJHSLNR-RISCZKNCSA-N 1 0 375.472 1.563 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000275347262 532288328 /nfs/dbraw/zinc/28/83/28/532288328.db2.gz GCKGXFCVPLGTMN-OLZOCXBDSA-N 1 0 393.462 1.409 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000289495468 532325992 /nfs/dbraw/zinc/32/59/92/532325992.db2.gz LJALJURYTCCLPT-GFCCVEGCSA-N 1 0 378.166 1.440 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000738359432 599044771 /nfs/dbraw/zinc/04/47/71/599044771.db2.gz RGGKBUUVBOVXFZ-LJQANCHMSA-N 1 0 395.423 1.824 20 5 GDBDRO CCn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000736723630 598673769 /nfs/dbraw/zinc/67/37/69/598673769.db2.gz WQKYKHLBESCJQD-UHFFFAOYSA-N 1 0 397.443 1.704 20 5 GDBDRO COc1cc[nH+]c(N2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)c1 ZINC000737159696 598797321 /nfs/dbraw/zinc/79/73/21/598797321.db2.gz OGYNCXOBSAETAA-UHFFFAOYSA-N 1 0 382.384 1.505 20 5 GDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824571089 609489063 /nfs/dbraw/zinc/48/90/63/609489063.db2.gz PSLFMNGKRONDBG-IUODEOHRSA-N 1 0 384.396 1.865 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000543599190 650424198 /nfs/dbraw/zinc/42/41/98/650424198.db2.gz RIASSVDJNJGYHL-UHFFFAOYSA-N 1 0 377.413 1.688 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551496431 650607738 /nfs/dbraw/zinc/60/77/38/650607738.db2.gz VBDHJCQDBSPELX-VIFPVBQESA-N 1 0 385.218 1.364 20 5 GDBDRO COC[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000564839124 650769370 /nfs/dbraw/zinc/76/93/70/650769370.db2.gz BRKQEUFQFUCHGP-HNNXBMFYSA-N 1 0 386.246 1.785 20 5 GDBDRO COCC1(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC[NH2+]CC1 ZINC000261935325 645119305 /nfs/dbraw/zinc/11/93/05/645119305.db2.gz DEVBIXSYPKDAKU-UHFFFAOYSA-N 1 0 391.877 1.851 20 5 GDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262743705 645136979 /nfs/dbraw/zinc/13/69/79/645136979.db2.gz KQXGGOSYRKAPSF-UHFFFAOYSA-N 1 0 380.264 1.963 20 5 GDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262773036 645138215 /nfs/dbraw/zinc/13/82/15/645138215.db2.gz JDVXQRUDQLFZHI-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415531948 645896930 /nfs/dbraw/zinc/89/69/30/645896930.db2.gz VOTYKFMESVXODH-WCBMZHEXSA-N 1 0 399.245 1.800 20 5 GDBDRO O=C(NC1CC[NH2+]CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000570925297 651060502 /nfs/dbraw/zinc/06/05/02/651060502.db2.gz PSHRXFVOFAKOQX-UHFFFAOYSA-N 1 0 375.166 1.681 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000445550575 647269484 /nfs/dbraw/zinc/26/94/84/647269484.db2.gz RCDLOYYNCRNXMY-NXEZZACHSA-N 1 0 378.248 1.906 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CC1 ZINC000921196389 660283946 /nfs/dbraw/zinc/28/39/46/660283946.db2.gz JWBMKMHZAXJWON-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000572130148 651091288 /nfs/dbraw/zinc/09/12/88/651091288.db2.gz TVCYAVYTNFYILQ-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO [NH3+][C@@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000584468954 652071942 /nfs/dbraw/zinc/07/19/42/652071942.db2.gz CFAHRZPBVJWALX-NSHDSACASA-N 1 0 375.166 1.667 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304514 652160700 /nfs/dbraw/zinc/16/07/00/652160700.db2.gz ICEMPJCSPUOYPN-TVQRCGJNSA-N 1 0 397.229 1.506 20 5 GDBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000594878103 652385045 /nfs/dbraw/zinc/38/50/45/652385045.db2.gz MJCYGMVFDIXIDC-QWRGUYRKSA-N 1 0 384.845 1.111 20 5 GDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1ccc([N+](=O)[O-])cc1I ZINC000595951984 652429471 /nfs/dbraw/zinc/42/94/71/652429471.db2.gz UTYVHAJRHPUOEN-UHFFFAOYSA-N 1 0 387.177 1.681 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595991878 652431837 /nfs/dbraw/zinc/43/18/37/652431837.db2.gz MWSODOVMMBHTFW-CYBMUJFWSA-N 1 0 389.193 1.990 20 5 GDBDRO COc1ccc(S(=O)(=O)N2CC[NH+](C[Si](C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000731210169 654429222 /nfs/dbraw/zinc/42/92/22/654429222.db2.gz AVIJZQNQXDPAGA-UHFFFAOYSA-N 1 0 387.534 1.787 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000734244159 654531406 /nfs/dbraw/zinc/53/14/06/654531406.db2.gz SGFSLMDDVXNQNX-LBPRGKRZSA-N 1 0 375.472 1.578 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746644908 654766028 /nfs/dbraw/zinc/76/60/28/654766028.db2.gz CUXHGVZOMQXBCI-RAIGVLPGSA-N 1 0 388.266 1.695 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000753867000 654959682 /nfs/dbraw/zinc/95/96/82/654959682.db2.gz JRQAYZDMDVFYPD-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841180302 655312426 /nfs/dbraw/zinc/31/24/26/655312426.db2.gz XEFZLQKJCXYGMN-LDYMZIIASA-N 1 0 385.218 1.492 20 5 GDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841232464 655315941 /nfs/dbraw/zinc/31/59/41/655315941.db2.gz SRFZJNAWZXNXAK-JTQLQIEISA-N 1 0 399.245 1.883 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000841229251 655315980 /nfs/dbraw/zinc/31/59/80/655315980.db2.gz XXOTYZOLTIYDDT-AOOOYVTPSA-N 1 0 397.229 1.282 20 5 GDBDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000841275942 655318477 /nfs/dbraw/zinc/31/84/77/655318477.db2.gz KIMCIXWKAFWPRZ-VHSXEESVSA-N 1 0 399.245 1.739 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1Br ZINC000842745299 655374981 /nfs/dbraw/zinc/37/49/81/655374981.db2.gz JBNJRTZXECHPHS-JTQLQIEISA-N 1 0 390.259 1.872 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818594842 655376949 /nfs/dbraw/zinc/37/69/49/655376949.db2.gz ZJJHFKTXJCXEBK-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842792775 655377435 /nfs/dbraw/zinc/37/74/35/655377435.db2.gz FJTHXEKOCHXYCF-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCC1 ZINC000850590387 655559450 /nfs/dbraw/zinc/55/94/50/655559450.db2.gz GOAOONREUHSRGT-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000858631614 655751483 /nfs/dbraw/zinc/75/14/83/655751483.db2.gz GPPJWSQIVQXPBO-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c(Br)c1 ZINC000866826885 655967532 /nfs/dbraw/zinc/96/75/32/655967532.db2.gz DZBOVJWTIUOCKQ-NWDGAFQWSA-N 1 0 390.259 1.872 20 5 GDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000886890559 657719729 /nfs/dbraw/zinc/71/97/29/657719729.db2.gz MODMMNGOPNCJDY-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000886891800 657720435 /nfs/dbraw/zinc/72/04/35/657720435.db2.gz HGRNZPNRLGGJHH-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000898067882 658913853 /nfs/dbraw/zinc/91/38/53/658913853.db2.gz JHSLIDNGIWZGNX-OAHLLOKOSA-N 1 0 388.262 1.719 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164737548 720659286 /nfs/dbraw/zinc/65/92/86/720659286.db2.gz GAZAGYZWFNFZNP-QWHCGFSZSA-N 1 0 387.356 1.030 20 5 GDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164738167 720721024 /nfs/dbraw/zinc/72/10/24/720721024.db2.gz DWSBFNCNIBMBRK-OLZOCXBDSA-N 1 0 381.396 1.603 20 5 GDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164745347 720800973 /nfs/dbraw/zinc/80/09/73/720800973.db2.gz JYZIOICLAMHPLY-ZIAGYGMSSA-N 1 0 393.407 1.670 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164854748 720841759 /nfs/dbraw/zinc/84/17/59/720841759.db2.gz SCGZQPBUBVXDOH-KSSFIOAISA-N 1 0 387.440 1.712 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164850998 720844914 /nfs/dbraw/zinc/84/49/14/720844914.db2.gz GGBRCJBNPIQPGT-DOMZBBRYSA-N 1 0 381.389 1.072 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4F)C3)O2)CC1 ZINC001164886297 721402266 /nfs/dbraw/zinc/40/22/66/721402266.db2.gz ISIVODBOCJJCBW-VQIMIIECSA-N 1 0 393.463 1.894 20 5 GDBDRO COc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)ccc1[N+](=O)[O-] ZINC001165007434 721733015 /nfs/dbraw/zinc/73/30/15/721733015.db2.gz CPXYRFQIFCDFMG-UHFFFAOYSA-N 1 0 377.445 1.521 20 5 GDBDRO Nc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164976573 722126198 /nfs/dbraw/zinc/12/61/98/722126198.db2.gz LVEYSRJHEFXDCQ-RDJZCZTQSA-N 1 0 384.440 1.694 20 5 GDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(N)c([N+](=O)[O-])cn1)CCC2 ZINC001165002359 722254526 /nfs/dbraw/zinc/25/45/26/722254526.db2.gz NZSKUOCWBXIZCY-UHFFFAOYSA-N 1 0 375.433 1.257 20 5 GDBDRO CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001596430995 984098661 /nfs/dbraw/zinc/09/86/61/984098661.db2.gz QXPHRQVTDFKPTF-CQSZACIVSA-N 1 0 380.445 1.174 20 5 GDBDRO C[NH+](C)CCN1CCC([NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001598231141 990938198 /nfs/dbraw/zinc/93/81/98/990938198.db2.gz NJQBTBNANZHZFB-UHFFFAOYSA-N 1 0 380.445 1.174 20 5 GDBDRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000173456599 530630805 /nfs/dbraw/zinc/63/08/05/530630805.db2.gz DLCORKVHPZTEPM-GFCCVEGCSA-N 1 0 376.504 1.208 20 5 GDBDRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000173456583 530630942 /nfs/dbraw/zinc/63/09/42/530630942.db2.gz DLCORKVHPZTEPM-LBPRGKRZSA-N 1 0 376.504 1.208 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000178941139 530731353 /nfs/dbraw/zinc/73/13/53/530731353.db2.gz UJNDWOAMUCGMPE-SNVBAGLBSA-N 1 0 392.275 1.896 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000096474991 530818208 /nfs/dbraw/zinc/81/82/08/530818208.db2.gz OVEUTOWGQRBPDI-LLVKDONJSA-N 1 0 390.225 1.857 20 5 GDBDRO COCC[N@H+](C)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000110203008 530866558 /nfs/dbraw/zinc/86/65/58/530866558.db2.gz CYBLVMWKKBFWAZ-UHFFFAOYSA-N 1 0 381.401 1.971 20 5 GDBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000187249131 530869498 /nfs/dbraw/zinc/86/94/98/530869498.db2.gz HBZYYQHKWLFPFJ-LLVKDONJSA-N 1 0 375.422 1.705 20 5 GDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000125597029 531007755 /nfs/dbraw/zinc/00/77/55/531007755.db2.gz KABNHOALHHLSAO-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000246204766 531064948 /nfs/dbraw/zinc/06/49/48/531064948.db2.gz QNTLGBPJTCIKCG-RYUDHWBXSA-N 1 0 391.877 1.714 20 5 GDBDRO COCC1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261735850 531097031 /nfs/dbraw/zinc/09/70/31/531097031.db2.gz SEWQVRITNLVVTB-UHFFFAOYSA-N 1 0 377.850 1.543 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000262778031 531130366 /nfs/dbraw/zinc/13/03/66/531130366.db2.gz YCEZAXZZUAAMEU-ZJUUUORDSA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000525704239 531297164 /nfs/dbraw/zinc/29/71/64/531297164.db2.gz ZZRLHPBKZGAKOG-UHFFFAOYSA-N 1 0 384.380 1.799 20 5 GDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440340017 531334066 /nfs/dbraw/zinc/33/40/66/531334066.db2.gz KVXDRSLGSVCPTL-SNVBAGLBSA-N 1 0 378.248 1.859 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440810490 531345147 /nfs/dbraw/zinc/34/51/47/531345147.db2.gz RFIMTWGAENVZNE-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440816654 531346660 /nfs/dbraw/zinc/34/66/60/531346660.db2.gz ZCQXYVFMLQUQKO-GZMMTYOYSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000481390511 531385388 /nfs/dbraw/zinc/38/53/88/531385388.db2.gz DPNMGCQTSOPYIM-CYBMUJFWSA-N 1 0 379.891 1.964 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415706923 531517466 /nfs/dbraw/zinc/51/74/66/531517466.db2.gz VMEBIUZOVPZHRS-CYBMUJFWSA-N 1 0 398.261 1.869 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269304855 531640204 /nfs/dbraw/zinc/64/02/04/531640204.db2.gz ZRURITSDHBDMIP-ZDUSSCGKSA-N 1 0 399.245 1.427 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Br ZINC000366317955 531736075 /nfs/dbraw/zinc/73/60/75/531736075.db2.gz UUGVTWHJVFHSPM-CABZTGNLSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000591767296 531739631 /nfs/dbraw/zinc/73/96/31/531739631.db2.gz CCBHOQHWLNNSNM-GFCCVEGCSA-N 1 0 385.218 1.583 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595122197 531866325 /nfs/dbraw/zinc/86/63/25/531866325.db2.gz GWZWCSUSFMLQDK-GHMZBOCLSA-N 1 0 396.238 1.726 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418914927 531861682 /nfs/dbraw/zinc/86/16/82/531861682.db2.gz PBEFVUZAPSRGLD-SECBINFHSA-N 1 0 376.198 1.982 20 5 GDBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000563810921 531863678 /nfs/dbraw/zinc/86/36/78/531863678.db2.gz ZOZVMPXNJCWNDH-SNVBAGLBSA-N 1 0 376.747 1.091 20 5 GDBDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595241748 531871555 /nfs/dbraw/zinc/87/15/55/531871555.db2.gz IHUCASZCVYFNDW-GFCCVEGCSA-N 1 0 387.234 1.785 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000595830406 531892350 /nfs/dbraw/zinc/89/23/50/531892350.db2.gz UVCSKGQNGLLVNN-ZWNOBZJWSA-N 1 0 375.212 1.782 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598724545 531992826 /nfs/dbraw/zinc/99/28/26/531992826.db2.gz JWYAQUDAEQAGAL-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598723866 531993148 /nfs/dbraw/zinc/99/31/48/531993148.db2.gz IBADKSWRGLTNQX-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)[NH+](C)C ZINC000299543042 531998833 /nfs/dbraw/zinc/99/88/33/531998833.db2.gz BJDMJVPTUPSYKM-QMMMGPOBSA-N 1 0 377.182 1.879 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000599104218 532006699 /nfs/dbraw/zinc/00/66/99/532006699.db2.gz TXDKEIYGZNPIFW-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc([N+](=O)[O-])c1F ZINC000271431174 532014550 /nfs/dbraw/zinc/01/45/50/532014550.db2.gz NAIFVIIWKWYPLJ-AWEZNQCLSA-N 1 0 377.463 1.758 20 5 GDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)F ZINC000420466806 532019494 /nfs/dbraw/zinc/01/94/94/532019494.db2.gz RMOGZLQKTQJQBM-ZETCQYMHSA-N 1 0 377.291 1.874 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301712813 532037759 /nfs/dbraw/zinc/03/77/59/532037759.db2.gz YLXBYCPALRVBAB-SNVBAGLBSA-N 1 0 386.250 1.752 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301821600 532039356 /nfs/dbraw/zinc/03/93/56/532039356.db2.gz MFVAEUPZPZEPJD-ZDUSSCGKSA-N 1 0 398.261 1.671 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000374188987 532113820 /nfs/dbraw/zinc/11/38/20/532113820.db2.gz POJLPZPUYQXYHW-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000332417579 532185079 /nfs/dbraw/zinc/18/50/79/532185079.db2.gz OAPQSODZJHSLNR-BXUZGUMPSA-N 1 0 375.472 1.563 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000377529516 532263132 /nfs/dbraw/zinc/26/31/32/532263132.db2.gz DOOGVRXKCKOQIG-CQSZACIVSA-N 1 0 397.273 1.406 20 5 GDBDRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000288825709 532308787 /nfs/dbraw/zinc/30/87/87/532308787.db2.gz NMDCRXDENWINOM-CYBMUJFWSA-N 1 0 399.245 1.926 20 5 GDBDRO C[NH+](C)CCOc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736770066 598797385 /nfs/dbraw/zinc/79/73/85/598797385.db2.gz YTTFCXMQGQYSPD-UHFFFAOYSA-N 1 0 398.427 1.765 20 5 GDBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826498804 607451285 /nfs/dbraw/zinc/45/12/85/607451285.db2.gz KICFNUFLUSPGGP-INIZCTEOSA-N 1 0 395.423 1.606 20 5 GDBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821584627 606402724 /nfs/dbraw/zinc/40/27/24/606402724.db2.gz LWLPNWKTPFKNSA-UHFFFAOYSA-N 1 0 375.433 1.712 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823640129 606844928 /nfs/dbraw/zinc/84/49/28/606844928.db2.gz UQRZUPRFJDNTBN-GOSISDBHSA-N 1 0 395.423 1.631 20 5 GDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000825981121 607876138 /nfs/dbraw/zinc/87/61/38/607876138.db2.gz PGZJAFBNFUGQNT-AWEZNQCLSA-N 1 0 384.396 1.647 20 5 GDBDRO COc1ccc(C[C@](C)([NH3+])CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000826190713 608300374 /nfs/dbraw/zinc/30/03/74/608300374.db2.gz KNKLYTKAGYPLCW-KRWDZBQOSA-N 1 0 384.400 1.551 20 5 GDBDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824564853 608468376 /nfs/dbraw/zinc/46/83/76/608468376.db2.gz WWSXAPBHBUSURA-GFCCVEGCSA-N 1 0 381.396 1.742 20 5 GDBDRO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000565599211 650805041 /nfs/dbraw/zinc/80/50/41/650805041.db2.gz RHXMSADLHVPPLF-XHVZSJERSA-N 1 0 383.246 1.965 20 5 GDBDRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000108115169 644617161 /nfs/dbraw/zinc/61/71/61/644617161.db2.gz ADZJWWABVSSSQM-UHFFFAOYSA-N 1 0 385.837 1.527 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000125180134 644712415 /nfs/dbraw/zinc/71/24/15/644712415.db2.gz GOJAYEGGNXOXLA-IUCAKERBSA-N 1 0 378.248 1.906 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000178940423 644929027 /nfs/dbraw/zinc/92/90/27/644929027.db2.gz KTICCRXXVMWXCP-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)cc1Br ZINC000178935744 644929062 /nfs/dbraw/zinc/92/90/62/644929062.db2.gz KCEUWCUVVMYGNU-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262781937 645138349 /nfs/dbraw/zinc/13/83/49/645138349.db2.gz PGSAYQBOHMNTFG-KCJUWKMLSA-N 1 0 378.248 1.634 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301977223 645238614 /nfs/dbraw/zinc/23/86/14/645238614.db2.gz WLUCUFOPXHYSML-GFCCVEGCSA-N 1 0 398.261 1.671 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000420474640 645944220 /nfs/dbraw/zinc/94/42/20/645944220.db2.gz YCFPJWRYZJTQTH-JTQLQIEISA-N 1 0 394.247 1.096 20 5 GDBDRO C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCSC1 ZINC000481333456 647874791 /nfs/dbraw/zinc/87/47/91/647874791.db2.gz BGLZSOJWQPIWPQ-CYBMUJFWSA-N 1 0 379.891 1.964 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000589926725 652121337 /nfs/dbraw/zinc/12/13/37/652121337.db2.gz ZCXSSWSOCUUDJG-TVQRCGJNSA-N 1 0 390.259 1.682 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591290418 652158875 /nfs/dbraw/zinc/15/88/75/652158875.db2.gz IAZLUKLLEDYSBQ-UHFFFAOYSA-N 1 0 399.245 1.720 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591302476 652160315 /nfs/dbraw/zinc/16/03/15/652160315.db2.gz JFDHPQIMTVUBHL-JTQLQIEISA-N 1 0 385.218 1.554 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccc(Br)cc2)c1 ZINC000591728974 652164096 /nfs/dbraw/zinc/16/40/96/652164096.db2.gz NSIWXSZEFQFWAT-ZDUSSCGKSA-N 1 0 385.218 1.583 20 5 GDBDRO C[C@@H](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000594817124 652372307 /nfs/dbraw/zinc/37/23/07/652372307.db2.gz NVLCOMWWRDYVEJ-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000597693477 652456715 /nfs/dbraw/zinc/45/67/15/652456715.db2.gz DOQZMQSWWTULPD-UHFFFAOYSA-N 1 0 397.273 1.677 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938879 652518988 /nfs/dbraw/zinc/51/89/88/652518988.db2.gz SDKRTHQQZMTISA-VXGBXAGGSA-N 1 0 384.230 1.638 20 5 GDBDRO C[NH+]1CCN(Cc2cn(Cc3ccc(Br)cc3[N+](=O)[O-])nn2)CC1 ZINC000603240356 652687584 /nfs/dbraw/zinc/68/75/84/652687584.db2.gz TTWXSEZAAGEHOI-UHFFFAOYSA-N 1 0 395.261 1.745 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000784681203 654893992 /nfs/dbraw/zinc/89/39/92/654893992.db2.gz MODVDKAOIVGPCC-SNVBAGLBSA-N 1 0 399.245 1.815 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000841162192 655311424 /nfs/dbraw/zinc/31/14/24/655311424.db2.gz XYFQWYXPKSGEID-SECBINFHSA-N 1 0 385.218 1.425 20 5 GDBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841233768 655316082 /nfs/dbraw/zinc/31/60/82/655316082.db2.gz GNTLTDUKQROOOX-VROVMSAKSA-N 1 0 388.165 1.539 20 5 GDBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842009872 655355132 /nfs/dbraw/zinc/35/51/32/655355132.db2.gz BPDIJGUMACOMOA-JTQLQIEISA-N 1 0 399.245 1.413 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842788617 655376979 /nfs/dbraw/zinc/37/69/79/655376979.db2.gz IOHPEEHKMULNPK-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO COC[C@@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCC[NH2+]1 ZINC000842859631 655381358 /nfs/dbraw/zinc/38/13/58/655381358.db2.gz QMUFEFSPVJRTAF-AWEZNQCLSA-N 1 0 377.850 1.604 20 5 GDBDRO [NH3+]CCCCCCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000843052999 655387477 /nfs/dbraw/zinc/38/74/77/655387477.db2.gz FIKKUNXVBGPSSL-UHFFFAOYSA-N 1 0 387.234 1.931 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Br)c1 ZINC000843097410 655388272 /nfs/dbraw/zinc/38/82/72/655388272.db2.gz ZCQXACQVVRKQEZ-BXUZGUMPSA-N 1 0 385.218 1.238 20 5 GDBDRO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C[NH3+])C1 ZINC000843357896 655393566 /nfs/dbraw/zinc/39/35/66/655393566.db2.gz SNCBTCAKLVGOKS-SECBINFHSA-N 1 0 375.198 1.211 20 5 GDBDRO COC[C@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC[NH2+]1 ZINC000843478966 655396277 /nfs/dbraw/zinc/39/62/77/655396277.db2.gz WWARNBMLVDWHND-CQSZACIVSA-N 1 0 390.209 1.995 20 5 GDBDRO COC[C@@]1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCC[NH2+]1 ZINC000843478965 655396299 /nfs/dbraw/zinc/39/62/99/655396299.db2.gz WWARNBMLVDWHND-AWEZNQCLSA-N 1 0 390.209 1.995 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000826800884 655501244 /nfs/dbraw/zinc/50/12/44/655501244.db2.gz YKXVJMHFMKBFNN-SNVBAGLBSA-N 1 0 389.250 1.839 20 5 GDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F)n1 ZINC000850517748 655557112 /nfs/dbraw/zinc/55/71/12/655557112.db2.gz AMGXDDDDKFKFBH-GHMZBOCLSA-N 1 0 384.380 1.842 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866827455 655967529 /nfs/dbraw/zinc/96/75/29/655967529.db2.gz NDAQBUILTZUQDD-VXGBXAGGSA-N 1 0 390.259 1.872 20 5 GDBDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000867581243 656088124 /nfs/dbraw/zinc/08/81/24/656088124.db2.gz KPWPHADOKULMEQ-UHFFFAOYSA-N 1 0 391.515 1.944 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)c1 ZINC000872239230 656321006 /nfs/dbraw/zinc/32/10/06/656321006.db2.gz ONDPJVFHVKGUIJ-SLBVQIDZSA-N 1 0 393.241 1.843 20 5 GDBDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863888 656975198 /nfs/dbraw/zinc/97/51/98/656975198.db2.gz HWQLOSBFVVRZHR-LLVKDONJSA-N 1 0 386.246 1.942 20 5 GDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000886890560 657719806 /nfs/dbraw/zinc/71/98/06/657719806.db2.gz MODMMNGOPNCJDY-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896540619 658787131 /nfs/dbraw/zinc/78/71/31/658787131.db2.gz GFNIPWPSVURRDC-SKDRFNHKSA-N 1 0 386.250 1.116 20 5 GDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896563647 658790318 /nfs/dbraw/zinc/79/03/18/658790318.db2.gz NRWOIWUOGQTLJF-IINYFYTJSA-N 1 0 385.262 1.721 20 5 GDBDRO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000898436430 658935819 /nfs/dbraw/zinc/93/58/19/658935819.db2.gz FDCHQJLBTNAULK-JGVFFNPUSA-N 1 0 378.187 1.932 20 5 GDBDRO CN(C)[C@H](CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000905576173 659466826 /nfs/dbraw/zinc/46/68/26/659466826.db2.gz LOMBUVILWPLXGW-CYBMUJFWSA-N 1 0 383.392 1.841 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)CC1 ZINC001164616439 719033862 /nfs/dbraw/zinc/03/38/62/719033862.db2.gz BYJGXJBVWWCBDY-UHFFFAOYSA-N 1 0 377.445 1.937 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164826326 720324359 /nfs/dbraw/zinc/32/43/59/720324359.db2.gz GGYFABUFKILKEI-CVEARBPZSA-N 1 0 388.472 1.484 20 5 GDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736842 720682060 /nfs/dbraw/zinc/68/20/60/720682060.db2.gz BNOLYXARKHGXJF-GJZGRUSLSA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164738809 720817531 /nfs/dbraw/zinc/81/75/31/720817531.db2.gz GUQCNOSWOMUSLK-YESZJQIVSA-N 1 0 383.456 1.961 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164853845 720833672 /nfs/dbraw/zinc/83/36/72/720833672.db2.gz PSJKPZGJHXWAOF-QWHCGFSZSA-N 1 0 385.852 1.520 20 5 GDBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747102 720855358 /nfs/dbraw/zinc/85/53/58/720855358.db2.gz HYCWULGHJMGDNS-BRWVUGGUSA-N 1 0 398.471 1.664 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC[C@@H]2C1 ZINC001164853772 720880596 /nfs/dbraw/zinc/88/05/96/720880596.db2.gz CSZODODJVJSFJA-NVXWUHKLSA-N 1 0 394.472 1.951 20 5 GDBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164926071 721856030 /nfs/dbraw/zinc/85/60/30/721856030.db2.gz HAONWXRSKNQFLF-NXEZZACHSA-N 1 0 375.260 1.906 20 5 GDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164932589 721886733 /nfs/dbraw/zinc/88/67/33/721886733.db2.gz JHVDCWFTZATPBC-LSDHHAIUSA-N 1 0 377.445 1.381 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973226 722128845 /nfs/dbraw/zinc/12/88/45/722128845.db2.gz GXQPYLBWCDHJEL-MJGOQNOKSA-N 1 0 399.451 1.659 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000161716778 530562932 /nfs/dbraw/zinc/56/29/32/530562932.db2.gz NSQLGBDDYLLIJI-CYBMUJFWSA-N 1 0 391.877 1.763 20 5 GDBDRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000161668700 530563134 /nfs/dbraw/zinc/56/31/34/530563134.db2.gz NWAXWKRXEJHKFQ-CYBMUJFWSA-N 1 0 391.877 1.619 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000182658498 530802953 /nfs/dbraw/zinc/80/29/53/530802953.db2.gz HUGSEBBWOSJRSI-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000119694842 530929767 /nfs/dbraw/zinc/92/97/67/530929767.db2.gz RDQAQCSXQABMAD-UHFFFAOYSA-N 1 0 391.877 1.716 20 5 GDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000122514505 530972810 /nfs/dbraw/zinc/97/28/10/530972810.db2.gz UXSHGVMFYIJIBI-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000125042980 531002492 /nfs/dbraw/zinc/00/24/92/531002492.db2.gz KTXOSDCERBHIEU-HQJQHLMTSA-N 1 0 384.241 1.638 20 5 GDBDRO NC(=O)[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000130978304 531066119 /nfs/dbraw/zinc/06/61/19/531066119.db2.gz RXSOCMUQLUWCMN-LBPRGKRZSA-N 1 0 386.181 1.509 20 5 GDBDRO COc1c(S(=O)(=O)NCC[C@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262808476 531131873 /nfs/dbraw/zinc/13/18/73/531131873.db2.gz XPDNCOGLPSTMCE-ZETCQYMHSA-N 1 0 396.263 1.690 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152664156 531154801 /nfs/dbraw/zinc/15/48/01/531154801.db2.gz RICQKMGQPSIJRX-LBPRGKRZSA-N 1 0 399.289 1.652 20 5 GDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000156208024 531204451 /nfs/dbraw/zinc/20/44/51/531204451.db2.gz PWPWOAXTBAHUMJ-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000290641198 531246245 /nfs/dbraw/zinc/24/62/45/531246245.db2.gz DJURXOCUNRPLCZ-JTQLQIEISA-N 1 0 395.840 1.512 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000474120713 531269071 /nfs/dbraw/zinc/26/90/71/531269071.db2.gz UETGJALGNVIJOY-UHFFFAOYSA-N 1 0 375.422 1.465 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000440346628 531333426 /nfs/dbraw/zinc/33/34/26/531333426.db2.gz UJSNKVIECCQEKA-ULKQDVFKSA-N 1 0 390.259 1.919 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415690056 531514126 /nfs/dbraw/zinc/51/41/26/531514126.db2.gz XGWHNTQDXMMWNI-KCJUWKMLSA-N 1 0 399.245 1.861 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000364343449 531555487 /nfs/dbraw/zinc/55/54/87/531555487.db2.gz YKBOKHMHTIOJHI-VXGBXAGGSA-N 1 0 389.861 1.698 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000583141623 531566213 /nfs/dbraw/zinc/56/62/13/531566213.db2.gz JZIOSXSTTCCVDM-QMMMGPOBSA-N 1 0 389.193 1.942 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366508385 531752611 /nfs/dbraw/zinc/75/26/11/531752611.db2.gz OOXIYYZNKUXART-GXTWGEPZSA-N 1 0 384.230 1.950 20 5 GDBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000592173936 531770057 /nfs/dbraw/zinc/77/00/57/531770057.db2.gz BHLVLTXWHPKPKU-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000367066789 531805118 /nfs/dbraw/zinc/80/51/18/531805118.db2.gz KVOGVYWEXFNHJG-WPRPVWTQSA-N 1 0 396.238 1.678 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000595120190 531867213 /nfs/dbraw/zinc/86/72/13/531867213.db2.gz QNJTVNKZNXNLEY-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367834599 531869499 /nfs/dbraw/zinc/86/94/99/531869499.db2.gz VWMXXOPKXRRLRM-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599106099 532005945 /nfs/dbraw/zinc/00/59/45/532005945.db2.gz RUDKHLHIHUGPPX-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101762 532005040 /nfs/dbraw/zinc/00/50/40/532005040.db2.gz BEQLHPSONXFVPM-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000322172225 532069496 /nfs/dbraw/zinc/06/94/96/532069496.db2.gz NMTJNGWZCFZMMD-GHMZBOCLSA-N 1 0 384.230 1.950 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000376142487 532197191 /nfs/dbraw/zinc/19/71/91/532197191.db2.gz HPIHLGZJGSZUBH-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274486195 532213517 /nfs/dbraw/zinc/21/35/17/532213517.db2.gz PBJXULVKOBEBTC-NSHDSACASA-N 1 0 376.504 1.498 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000288070170 532261156 /nfs/dbraw/zinc/26/11/56/532261156.db2.gz GGEZKLQZRAQSAW-QMMMGPOBSA-N 1 0 387.234 1.671 20 5 GDBDRO CN1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1=O ZINC000289622841 532329777 /nfs/dbraw/zinc/32/97/77/532329777.db2.gz WLPZVUBFLJIJDE-LLVKDONJSA-N 1 0 389.193 1.910 20 5 GDBDRO O=[N+]([O-])c1ccc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738370820 599044659 /nfs/dbraw/zinc/04/46/59/599044659.db2.gz QPDVFDJJJLPAGH-LJQANCHMSA-N 1 0 395.423 1.824 20 5 GDBDRO Cn1c(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000737590720 599267070 /nfs/dbraw/zinc/26/70/70/599267070.db2.gz CKMACKVUPZHPOP-UHFFFAOYSA-N 1 0 387.429 1.522 20 5 GDBDRO CC[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000820926353 606482716 /nfs/dbraw/zinc/48/27/16/606482716.db2.gz RMKLQXAHMLNZTA-ABAIWWIYSA-N 1 0 383.416 1.754 20 5 GDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569423 608563616 /nfs/dbraw/zinc/56/36/16/608563616.db2.gz HUXNKSKJMKPRKZ-TZMCWYRMSA-N 1 0 384.396 1.865 20 5 GDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824571091 609489280 /nfs/dbraw/zinc/48/92/80/609489280.db2.gz PSLFMNGKRONDBG-SWLSCSKDSA-N 1 0 384.396 1.865 20 5 GDBDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000825958174 609490199 /nfs/dbraw/zinc/49/01/99/609490199.db2.gz NPBFPPLSDPPJPM-OAHLLOKOSA-N 1 0 384.396 1.647 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551495859 650607750 /nfs/dbraw/zinc/60/77/50/650607750.db2.gz NTUSBSJEZVCPPW-SNVBAGLBSA-N 1 0 399.245 1.754 20 5 GDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000123807313 644700177 /nfs/dbraw/zinc/70/01/77/644700177.db2.gz GXPLSMKKCNTBHF-UHFFFAOYSA-N 1 0 392.275 1.977 20 5 GDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000237803841 645087640 /nfs/dbraw/zinc/08/76/40/645087640.db2.gz PHIQCOSEQSXLJX-MRVPVSSYSA-N 1 0 375.166 1.681 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262781938 645138325 /nfs/dbraw/zinc/13/83/25/645138325.db2.gz PGSAYQBOHMNTFG-KWQFWETISA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC000262783342 645139068 /nfs/dbraw/zinc/13/90/68/645139068.db2.gz LTZWAJRFRYDWEP-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000569238176 650990228 /nfs/dbraw/zinc/99/02/28/650990228.db2.gz KTTJQEZQZFBNJB-HNNXBMFYSA-N 1 0 384.230 1.544 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000368632195 645621918 /nfs/dbraw/zinc/62/19/18/645621918.db2.gz KGNNAOUGMXBABA-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO C[NH+](C)CCn1ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000446027094 647277560 /nfs/dbraw/zinc/27/75/60/647277560.db2.gz CLCDSGNCVFCZNK-UHFFFAOYSA-N 1 0 388.247 2.429 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461910106 647503721 /nfs/dbraw/zinc/50/37/21/647503721.db2.gz YJKAFKDZNFTBII-LLVKDONJSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000471646224 647750558 /nfs/dbraw/zinc/75/05/58/647750558.db2.gz KSJXFVDAKDWVBE-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000510090102 648316645 /nfs/dbraw/zinc/31/66/45/648316645.db2.gz YEDKHMVQSNMVDS-UHFFFAOYSA-N 1 0 385.837 1.527 20 5 GDBDRO C[NH+]1CCN(CCCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000516786282 648536293 /nfs/dbraw/zinc/53/62/93/648536293.db2.gz LQAKEPVOLOBUBH-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000575735370 651598595 /nfs/dbraw/zinc/59/85/95/651598595.db2.gz ADAKLUANFDCCFZ-RNCFNFMXSA-N 1 0 390.259 1.648 20 5 GDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000577491154 651732518 /nfs/dbraw/zinc/73/25/18/651732518.db2.gz JGHLJVDOOLTDJO-LLVKDONJSA-N 1 0 377.182 1.913 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591304513 652160674 /nfs/dbraw/zinc/16/06/74/652160674.db2.gz ICEMPJCSPUOYPN-RNCFNFMXSA-N 1 0 397.229 1.506 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592379690 652185084 /nfs/dbraw/zinc/18/50/84/652185084.db2.gz NBBGWPBRRJLUDE-CYBMUJFWSA-N 1 0 392.275 1.976 20 5 GDBDRO COc1c(S(=O)(=O)NC[C@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000592383473 652186382 /nfs/dbraw/zinc/18/63/82/652186382.db2.gz WTUASLSIKKECIO-LURJTMIESA-N 1 0 382.236 1.300 20 5 GDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)NCC[NH+](C)C ZINC000594359347 652280483 /nfs/dbraw/zinc/28/04/83/652280483.db2.gz CQSPFWTVKFUWLF-VIFPVBQESA-N 1 0 387.234 1.153 20 5 GDBDRO C[NH+](C)CCOc1cc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000768882943 654440013 /nfs/dbraw/zinc/44/00/13/654440013.db2.gz QRTOJGZMBBJYFG-UHFFFAOYSA-N 1 0 386.455 1.470 20 5 GDBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000810365533 655156675 /nfs/dbraw/zinc/15/66/75/655156675.db2.gz AFEZTCXCTPBDFE-CYBMUJFWSA-N 1 0 399.245 1.752 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000810365219 655156678 /nfs/dbraw/zinc/15/66/78/655156678.db2.gz GTMSTXBGOXAPLP-JTQLQIEISA-N 1 0 397.229 1.649 20 5 GDBDRO O=C1NC(=O)C2(CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)N1 ZINC000839526698 655251373 /nfs/dbraw/zinc/25/13/73/655251373.db2.gz KZFFQQVLPNJUKT-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841260027 655317943 /nfs/dbraw/zinc/31/79/43/655317943.db2.gz YMFICLMODNMZFR-JTQLQIEISA-N 1 0 399.245 1.944 20 5 GDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841269236 655318249 /nfs/dbraw/zinc/31/82/49/655318249.db2.gz PLLMUJJXZNOZLW-LBPRGKRZSA-N 1 0 399.245 1.930 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCCO1 ZINC000842484558 655367966 /nfs/dbraw/zinc/36/79/66/655367966.db2.gz HXBAIPLYKNTDLM-SNVBAGLBSA-N 1 0 394.247 1.096 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000842743534 655374755 /nfs/dbraw/zinc/37/47/55/655374755.db2.gz ISBFSFDGHJLABT-LDYMZIIASA-N 1 0 394.247 1.094 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847158576 655465824 /nfs/dbraw/zinc/46/58/24/655465824.db2.gz APUFDGXACRGEHE-WDEREUQCSA-N 1 0 385.218 1.640 20 5 GDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000850592919 655559711 /nfs/dbraw/zinc/55/97/11/655559711.db2.gz BFHNGDVCPGIWMI-NXEZZACHSA-N 1 0 376.366 1.180 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1F ZINC000850592944 655559747 /nfs/dbraw/zinc/55/97/47/655559747.db2.gz BZMXSLDKLFLJLP-NXEZZACHSA-N 1 0 382.211 1.417 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000853337650 655638482 /nfs/dbraw/zinc/63/84/82/655638482.db2.gz PAAIYNXTWIGPMO-AWEZNQCLSA-N 1 0 385.218 1.472 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000857233863 655731540 /nfs/dbraw/zinc/73/15/40/655731540.db2.gz HJOBYNDSJUSTAE-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000857235759 655731657 /nfs/dbraw/zinc/73/16/57/655731657.db2.gz UNAIINFPVNKZBV-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC000857236441 655731718 /nfs/dbraw/zinc/73/17/18/655731718.db2.gz YWECQWWBDOAXNA-TVQRCGJNSA-N 1 0 390.259 1.859 20 5 GDBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000861685646 655828369 /nfs/dbraw/zinc/82/83/69/655828369.db2.gz WMQZEKMVDXFWCH-JTQLQIEISA-N 1 0 399.245 1.413 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865059142 655911175 /nfs/dbraw/zinc/91/11/75/655911175.db2.gz LAVHHIQHEMYDMB-STQMWFEESA-N 1 0 398.257 1.879 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000866378185 655938847 /nfs/dbraw/zinc/93/88/47/655938847.db2.gz UDDSDDHBHFRFBV-UHFFFAOYSA-N 1 0 377.850 1.594 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1Br ZINC000866828712 655967775 /nfs/dbraw/zinc/96/77/75/655967775.db2.gz XPIGDIRYNKPHPG-AAEUAGOBSA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000871815308 656283305 /nfs/dbraw/zinc/28/33/05/656283305.db2.gz ROEDGCJGWWYGCV-TVQRCGJNSA-N 1 0 390.259 1.587 20 5 GDBDRO O=C1C[C@H](CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CN1 ZINC000922779357 656508018 /nfs/dbraw/zinc/50/80/18/656508018.db2.gz UXPBNTIZDOOCHQ-VIFPVBQESA-N 1 0 389.193 1.815 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1Br ZINC000923712862 656594527 /nfs/dbraw/zinc/59/45/27/656594527.db2.gz GFBQMYYMOVRGNA-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000913679584 660091927 /nfs/dbraw/zinc/09/19/27/660091927.db2.gz IFPFZXUQJCYZNV-UHFFFAOYSA-N 1 0 386.246 1.886 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164620405 719014186 /nfs/dbraw/zinc/01/41/86/719014186.db2.gz ZAEKVUNARWNUQC-KPXOXKRLSA-N 1 0 390.774 1.918 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])CC2)CC1 ZINC001164618398 719029199 /nfs/dbraw/zinc/02/91/99/719029199.db2.gz VYUKKJNNQAXBHI-UHFFFAOYSA-N 1 0 392.456 1.781 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820648 720313293 /nfs/dbraw/zinc/31/32/93/720313293.db2.gz HZEWEFPCHGTSTK-HZPDHXFCSA-N 1 0 388.472 1.605 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164829743 720336045 /nfs/dbraw/zinc/33/60/45/720336045.db2.gz NCYYOZVQNCERPN-SJORKVTESA-N 1 0 388.472 1.484 20 5 GDBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC[C@@H]21 ZINC001164833337 720509421 /nfs/dbraw/zinc/50/94/21/720509421.db2.gz DFKHNFCDNKTIAR-SZMVWBNQSA-N 1 0 386.456 1.803 20 5 GDBDRO COc1cc2ncnc(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)c2cc1[N+](=O)[O-] ZINC001164727436 720515629 /nfs/dbraw/zinc/51/56/29/720515629.db2.gz GHBKMEDLPLFLCI-CYBMUJFWSA-N 1 0 397.439 1.941 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164730685 720572965 /nfs/dbraw/zinc/57/29/65/720572965.db2.gz YKHQKPZWEMZUBB-UHFFFAOYSA-N 1 0 392.847 1.737 20 5 GDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743022 720616496 /nfs/dbraw/zinc/61/64/96/720616496.db2.gz NZCOOOVXDWAFOM-VXGBXAGGSA-N 1 0 376.804 1.775 20 5 GDBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164741987 720684821 /nfs/dbraw/zinc/68/48/21/720684821.db2.gz VCIZTXQREQZPCD-KGLIPLIRSA-N 1 0 386.412 1.439 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164897099 721508680 /nfs/dbraw/zinc/50/86/80/721508680.db2.gz DPWNRUUWKDHYOC-DZGCQCFKSA-N 1 0 389.387 1.874 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1 ZINC001164958023 722052333 /nfs/dbraw/zinc/05/23/33/722052333.db2.gz AKYANYCYGDTBLS-UHFFFAOYSA-N 1 0 399.451 1.742 20 5 GDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823651200 946462260 /nfs/dbraw/zinc/46/22/60/946462260.db2.gz IEUHKNWGBDMTNP-GJZGRUSLSA-N 1 0 388.432 1.350 20 5 GDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824570223 946809425 /nfs/dbraw/zinc/80/94/25/946809425.db2.gz MEPVVPXJCFEJDQ-WFASDCNBSA-N 1 0 384.396 1.865 20 5 GDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000037646996 530617077 /nfs/dbraw/zinc/61/70/77/530617077.db2.gz RMRCHLPPMOIIGO-SECBINFHSA-N 1 0 389.193 1.881 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000187412883 530873211 /nfs/dbraw/zinc/87/32/11/530873211.db2.gz PGWJFWCRRNYCOV-SNVBAGLBSA-N 1 0 377.438 1.997 20 5 GDBDRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185334429 530839894 /nfs/dbraw/zinc/83/98/94/530839894.db2.gz DAMSFOQWETWAGQ-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000117923738 530915639 /nfs/dbraw/zinc/91/56/39/530915639.db2.gz KIVNFSDSJINHES-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000190290629 530927336 /nfs/dbraw/zinc/92/73/36/530927336.db2.gz RGVMRPSSQBKDAX-UHFFFAOYSA-N 1 0 379.385 1.567 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195304811 531020172 /nfs/dbraw/zinc/02/01/72/531020172.db2.gz JMGVFSYPJVDEKS-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237940602 531052925 /nfs/dbraw/zinc/05/29/25/531052925.db2.gz CUIBXKPUDYBPNT-JTQLQIEISA-N 1 0 399.245 1.284 20 5 GDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000134335684 531099694 /nfs/dbraw/zinc/09/96/94/531099694.db2.gz LHPGPQKCSVQMOA-UHFFFAOYSA-N 1 0 382.467 1.997 20 5 GDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]1 ZINC000155002614 531193727 /nfs/dbraw/zinc/19/37/27/531193727.db2.gz WOCFHCOBQBQZCV-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440405361 531337232 /nfs/dbraw/zinc/33/72/32/531337232.db2.gz HBOXTPLFMNRKLR-PELKAZGASA-N 1 0 378.248 1.763 20 5 GDBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000481390512 531385591 /nfs/dbraw/zinc/38/55/91/531385591.db2.gz DPNMGCQTSOPYIM-ZDUSSCGKSA-N 1 0 379.891 1.964 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604542 531510222 /nfs/dbraw/zinc/51/02/22/531510222.db2.gz BMIVOEUHCDDRBN-LPEHRKFASA-N 1 0 376.257 1.825 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415831055 531539068 /nfs/dbraw/zinc/53/90/68/531539068.db2.gz HAIJNRRTAGXQIJ-GXSJLCMTSA-N 1 0 399.245 1.848 20 5 GDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000558030387 531542731 /nfs/dbraw/zinc/54/27/31/531542731.db2.gz JBHANJQXTZYFAM-QMMMGPOBSA-N 1 0 377.182 1.879 20 5 GDBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416465004 531628449 /nfs/dbraw/zinc/62/84/49/531628449.db2.gz JWJRPHMCIIWFFL-UHFFFAOYSA-N 1 0 385.364 1.206 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000416498148 531649272 /nfs/dbraw/zinc/64/92/72/531649272.db2.gz WRLYJSHFSBJKAC-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO C[C@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000451905999 531711514 /nfs/dbraw/zinc/71/15/14/531711514.db2.gz ICRGILKLFVDCIK-HUUCEWRRSA-N 1 0 389.239 1.956 20 5 GDBDRO C[C@@H]1SCC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000592001199 531749148 /nfs/dbraw/zinc/74/91/48/531749148.db2.gz QFWYDLVOBLCACP-AAEUAGOBSA-N 1 0 388.515 1.741 20 5 GDBDRO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000269934612 531808503 /nfs/dbraw/zinc/80/85/03/531808503.db2.gz JIMBAWLTECXFCQ-LBPRGKRZSA-N 1 0 385.262 1.641 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1Br ZINC000367798764 531864368 /nfs/dbraw/zinc/86/43/68/531864368.db2.gz RUHDRODSLCRZRZ-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000271082267 531961924 /nfs/dbraw/zinc/96/19/24/531961924.db2.gz IDSLWODMTDACLJ-YPMHNXCESA-N 1 0 375.472 1.270 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000271102338 531966995 /nfs/dbraw/zinc/96/69/95/531966995.db2.gz NROLRMNCPAYPGJ-GXTWGEPZSA-N 1 0 375.472 1.270 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573247728 531978463 /nfs/dbraw/zinc/97/84/63/531978463.db2.gz JGZIHYGYKXYTOC-NXEZZACHSA-N 1 0 379.360 1.844 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000599103073 532006572 /nfs/dbraw/zinc/00/65/72/532006572.db2.gz RWHKPEAPIMTBMA-DTWKUNHWSA-N 1 0 385.339 1.882 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420454956 532017977 /nfs/dbraw/zinc/01/79/77/532017977.db2.gz LTCIDGSBTHJLHX-JTQLQIEISA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000420479290 532021914 /nfs/dbraw/zinc/02/19/14/532021914.db2.gz MIRPWNGVEDYBIU-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301559708 532036318 /nfs/dbraw/zinc/03/63/18/532036318.db2.gz TXOPPWIEPKOYOQ-GFCCVEGCSA-N 1 0 384.278 1.969 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]21 ZINC000600669910 532050057 /nfs/dbraw/zinc/05/00/57/532050057.db2.gz WANANEJLOMUHMV-IWIIMEHWSA-N 1 0 379.360 1.794 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000374185244 532113595 /nfs/dbraw/zinc/11/35/95/532113595.db2.gz CPDVBZARUIRUFO-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO CCN1CCO[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000375818017 532184837 /nfs/dbraw/zinc/18/48/37/532184837.db2.gz GVXANXJOMKMTRV-HNNXBMFYSA-N 1 0 398.257 1.963 20 5 GDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000286921081 532185488 /nfs/dbraw/zinc/18/54/88/532185488.db2.gz IINGQGDZVBYWMA-QMMMGPOBSA-N 1 0 377.182 1.879 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000431170755 532261929 /nfs/dbraw/zinc/26/19/29/532261929.db2.gz YRCXCFDDJCJHIY-UHFFFAOYSA-N 1 0 385.262 1.677 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289868987 532333237 /nfs/dbraw/zinc/33/32/37/532333237.db2.gz NRCYVPQMVHGSMM-UHFFFAOYSA-N 1 0 394.856 1.303 20 5 GDBDRO NC(=O)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732057 598886616 /nfs/dbraw/zinc/88/66/16/598886616.db2.gz VRJZCBLBVLMTBR-KRWDZBQOSA-N 1 0 395.423 1.914 20 5 GDBDRO Cn1c(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000737594532 599267079 /nfs/dbraw/zinc/26/70/79/599267079.db2.gz XWGLNGWCSFCRPV-JTQLQIEISA-N 1 0 387.429 1.522 20 5 GDBDRO Cc1cccc(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)[nH+]1 ZINC000737398599 598671199 /nfs/dbraw/zinc/67/11/99/598671199.db2.gz CGFYPPUFUIXQAT-LBPRGKRZSA-N 1 0 381.400 1.812 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(NC[C@H](O)C[NH+]3CCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644722 599475047 /nfs/dbraw/zinc/47/50/47/599475047.db2.gz KTLIXNNBRQGERS-ZDUSSCGKSA-N 1 0 398.427 1.582 20 5 GDBDRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000820120311 599569712 /nfs/dbraw/zinc/56/97/12/599569712.db2.gz BMQMNDOXPJVEBP-MRXNPFEDSA-N 1 0 386.416 1.243 20 5 GDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823635025 606640497 /nfs/dbraw/zinc/64/04/97/606640497.db2.gz PVHHVMYXBBHNLS-OCCSQVGLSA-N 1 0 376.398 1.021 20 5 GDBDRO CC(C)OCC[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820146333 606714627 /nfs/dbraw/zinc/71/46/27/606714627.db2.gz KPFNDUYBFJHUAY-UHFFFAOYSA-N 1 0 376.421 1.471 20 5 GDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000824705466 607841224 /nfs/dbraw/zinc/84/12/24/607841224.db2.gz BJLHPNIOMJKDQB-LBPRGKRZSA-N 1 0 375.433 1.304 20 5 GDBDRO CCC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000825261424 608303556 /nfs/dbraw/zinc/30/35/56/608303556.db2.gz YWYJNECEGIVSTI-GFCCVEGCSA-N 1 0 376.421 1.107 20 5 GDBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825261415 608303957 /nfs/dbraw/zinc/30/39/57/608303957.db2.gz YUDJDPIZHPLLOR-CQSZACIVSA-N 1 0 375.433 1.712 20 5 GDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569422 608563793 /nfs/dbraw/zinc/56/37/93/608563793.db2.gz HUXNKSKJMKPRKZ-OCCSQVGLSA-N 1 0 384.396 1.865 20 5 GDBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824571093 609489249 /nfs/dbraw/zinc/48/92/49/609489249.db2.gz PSLFMNGKRONDBG-WFASDCNBSA-N 1 0 384.396 1.865 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)[C@@H]2CCOC2)c1 ZINC000567002859 650879431 /nfs/dbraw/zinc/87/94/31/650879431.db2.gz KGLCUOPKZUXDEW-MFKMUULPSA-N 1 0 392.193 1.686 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000567867315 650925278 /nfs/dbraw/zinc/92/52/78/650925278.db2.gz MUESBDMIMFKNLN-HTQZYQBOSA-N 1 0 387.234 1.846 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000567867317 650925457 /nfs/dbraw/zinc/92/54/57/650925457.db2.gz MUESBDMIMFKNLN-SFYZADRCSA-N 1 0 387.234 1.846 20 5 GDBDRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119856402 644663439 /nfs/dbraw/zinc/66/34/39/644663439.db2.gz CCENKUPKAIVXJQ-GFCCVEGCSA-N 1 0 376.504 1.208 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000120467109 644671245 /nfs/dbraw/zinc/67/12/45/644671245.db2.gz ZVCNBLMEAVCVSC-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124976053 644711458 /nfs/dbraw/zinc/71/14/58/644711458.db2.gz VKAGGEGHQLWLGG-ZJUUUORDSA-N 1 0 378.248 1.906 20 5 GDBDRO CSCCCN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000568811459 650972260 /nfs/dbraw/zinc/97/22/60/650972260.db2.gz CGGBWYJFKCIRLI-UHFFFAOYSA-N 1 0 390.531 1.624 20 5 GDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000193326731 645049372 /nfs/dbraw/zinc/04/93/72/645049372.db2.gz ZRRIJOVDGRZBQS-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000420474860 645944246 /nfs/dbraw/zinc/94/42/46/645944246.db2.gz ZDWGLGZWVILIFJ-NSHDSACASA-N 1 0 394.247 1.096 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420478466 645944741 /nfs/dbraw/zinc/94/47/41/645944741.db2.gz LHTDHFKRKSLZOX-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000917904249 660224318 /nfs/dbraw/zinc/22/43/18/660224318.db2.gz VSCOUWZIASTOGD-UHFFFAOYSA-N 1 0 388.877 1.116 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000452082462 647312000 /nfs/dbraw/zinc/31/20/00/647312000.db2.gz FTPBSRXMPSOOMT-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO Cc1sc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000467423214 647643387 /nfs/dbraw/zinc/64/33/87/647643387.db2.gz AACDRMQGOHDLEI-UHFFFAOYSA-N 1 0 389.499 1.888 20 5 GDBDRO C[C@@]([NH3+])(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000574155897 651519782 /nfs/dbraw/zinc/51/97/82/651519782.db2.gz IFPFJHYOQUVRCI-AWEZNQCLSA-N 1 0 382.218 1.544 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000580833555 651942459 /nfs/dbraw/zinc/94/24/59/651942459.db2.gz VHNZPQUEQMYICI-LLVKDONJSA-N 1 0 389.861 1.624 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000582474611 651998545 /nfs/dbraw/zinc/99/85/45/651998545.db2.gz OHZDJEXKUIGNPN-SNVBAGLBSA-N 1 0 399.245 1.802 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592376153 652184438 /nfs/dbraw/zinc/18/44/38/652184438.db2.gz ZFFZZNDGZVPSAX-GZMMTYOYSA-N 1 0 383.348 1.350 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000599111006 652479227 /nfs/dbraw/zinc/47/92/27/652479227.db2.gz VSROLDYRSOGJOK-LBPRGKRZSA-N 1 0 375.472 1.436 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599473169 652504047 /nfs/dbraw/zinc/50/40/47/652504047.db2.gz ZGTFYDPILPRDOZ-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938877 652519155 /nfs/dbraw/zinc/51/91/55/652519155.db2.gz SDKRTHQQZMTISA-NWDGAFQWSA-N 1 0 384.230 1.638 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601356569 652569971 /nfs/dbraw/zinc/56/99/71/652569971.db2.gz DBEJJGDPCCSUEH-NSHDSACASA-N 1 0 376.504 1.127 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601356568 652570037 /nfs/dbraw/zinc/57/00/37/652570037.db2.gz DBEJJGDPCCSUEH-LLVKDONJSA-N 1 0 376.504 1.127 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1 ZINC000601966954 652611977 /nfs/dbraw/zinc/61/19/77/652611977.db2.gz GFKOWILKYBCZQI-UCDYDWOKSA-N 1 0 393.241 1.843 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000602574439 652641740 /nfs/dbraw/zinc/64/17/40/652641740.db2.gz UTKRHYYTGPHZNZ-QPUJVOFHSA-N 1 0 389.193 1.988 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602597582 652642676 /nfs/dbraw/zinc/64/26/76/652642676.db2.gz VMOHSOYJAJIKNC-XVKPBYJWSA-N 1 0 375.166 1.761 20 5 GDBDRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000603401713 652711183 /nfs/dbraw/zinc/71/11/83/652711183.db2.gz GOFZCKGWUVNFOQ-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2I)CCC1 ZINC000701030647 654832212 /nfs/dbraw/zinc/83/22/12/654832212.db2.gz KZZHZUJPJHXRHY-UHFFFAOYSA-N 1 0 375.166 1.811 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)ccc1Br ZINC000754791385 654980149 /nfs/dbraw/zinc/98/01/49/654980149.db2.gz FIJDVIIRISEKAF-SECBINFHSA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810371038 655157190 /nfs/dbraw/zinc/15/71/90/655157190.db2.gz ASYJMUJBSIYEHX-JTQLQIEISA-N 1 0 399.245 1.754 20 5 GDBDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810395136 655158600 /nfs/dbraw/zinc/15/86/00/655158600.db2.gz HCHVJABTYNZSNB-UHFFFAOYSA-N 1 0 399.245 1.850 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000765193861 655233797 /nfs/dbraw/zinc/23/37/97/655233797.db2.gz DGNGFTDNZFKLGD-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000798228574 655259063 /nfs/dbraw/zinc/25/90/63/655259063.db2.gz NHUUMPJQLHONBV-UHFFFAOYSA-N 1 0 395.840 1.512 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000841264743 655318280 /nfs/dbraw/zinc/31/82/80/655318280.db2.gz POLTVKZBYCECAJ-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000842484279 655367813 /nfs/dbraw/zinc/36/78/13/655367813.db2.gz ZKZQYBAAWPXRGR-VIFPVBQESA-N 1 0 382.345 1.034 20 5 GDBDRO COC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000842484278 655367842 /nfs/dbraw/zinc/36/78/42/655367842.db2.gz ZKZQYBAAWPXRGR-SECBINFHSA-N 1 0 382.345 1.034 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1[NH3+] ZINC000842726012 655373884 /nfs/dbraw/zinc/37/38/84/655373884.db2.gz AKABXJWKHQHNHP-KCJUWKMLSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843048271 655387273 /nfs/dbraw/zinc/38/72/73/655387273.db2.gz WAXOADLJXCWAPE-NSHDSACASA-N 1 0 385.262 1.644 20 5 GDBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819179964 655387703 /nfs/dbraw/zinc/38/77/03/655387703.db2.gz JXCDMWHVQFWIMX-AWEZNQCLSA-N 1 0 385.467 1.566 20 5 GDBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819180387 655387777 /nfs/dbraw/zinc/38/77/77/655387777.db2.gz QQRFMPAZJWIEEM-AWEZNQCLSA-N 1 0 385.467 1.566 20 5 GDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000843098304 655388433 /nfs/dbraw/zinc/38/84/33/655388433.db2.gz NXYBRCBEJHOBFX-ZIAGYGMSSA-N 1 0 386.451 1.114 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000848475491 655493648 /nfs/dbraw/zinc/49/36/48/655493648.db2.gz SHJJOGYMGZYXGW-AOOOYVTPSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000849429301 655533692 /nfs/dbraw/zinc/53/36/92/655533692.db2.gz NBASRIUPOAYHNN-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856735434 655715747 /nfs/dbraw/zinc/71/57/47/655715747.db2.gz SSNZPHNONLCMOX-UHFFFAOYSA-N 1 0 385.262 1.958 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866827452 655967539 /nfs/dbraw/zinc/96/75/39/655967539.db2.gz NDAQBUILTZUQDD-NEPJUHHUSA-N 1 0 390.259 1.872 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000866827933 655967676 /nfs/dbraw/zinc/96/76/76/655967676.db2.gz TZOYJVKVDBBIPX-RYUDHWBXSA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000866949795 655980837 /nfs/dbraw/zinc/98/08/37/655980837.db2.gz WSHDFKLQRLUJOD-UHFFFAOYSA-N 1 0 390.893 1.305 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870966677 656259284 /nfs/dbraw/zinc/25/92/84/656259284.db2.gz RBILLZCJNKXPJG-DTORHVGOSA-N 1 0 389.193 1.975 20 5 GDBDRO O=C1C[C@@H](CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CN1 ZINC000922779356 656507863 /nfs/dbraw/zinc/50/78/63/656507863.db2.gz UXPBNTIZDOOCHQ-SECBINFHSA-N 1 0 389.193 1.815 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106559 656653725 /nfs/dbraw/zinc/65/37/25/656653725.db2.gz SOHPLAALPGUWJK-SSDOTTSWSA-N 1 0 377.182 1.927 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000882100789 657042964 /nfs/dbraw/zinc/04/29/64/657042964.db2.gz LLIKFIIZACAFLZ-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000900804331 659147498 /nfs/dbraw/zinc/14/74/98/659147498.db2.gz KLBBSICRJJOVFO-IAQYHMDHSA-N 1 0 399.289 1.650 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164826332 720324273 /nfs/dbraw/zinc/32/42/73/720324273.db2.gz GGYFABUFKILKEI-HZPDHXFCSA-N 1 0 388.472 1.484 20 5 GDBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164824963 720349549 /nfs/dbraw/zinc/34/95/49/720349549.db2.gz IILDSAYDHMWBOP-JKSUJKDBSA-N 1 0 388.472 1.605 20 5 GDBDRO CCOC(=O)c1ccnc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164736512 720531213 /nfs/dbraw/zinc/53/12/13/720531213.db2.gz YXFKWGNCDRTJRR-ZDUSSCGKSA-N 1 0 388.428 1.561 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164747129 720725841 /nfs/dbraw/zinc/72/58/41/720725841.db2.gz ZZJCWRMZRHDNQV-CHWSQXEVSA-N 1 0 392.803 1.014 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC[C@@H]2C1 ZINC001164851383 720838997 /nfs/dbraw/zinc/83/89/97/720838997.db2.gz GVBKADZZENQYDA-KDOFPFPSSA-N 1 0 387.440 1.712 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000823620997 946457696 /nfs/dbraw/zinc/45/76/96/946457696.db2.gz VIYCUTRQBXFVOE-UONOGXRCSA-N 1 0 388.432 1.350 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000825933434 947373725 /nfs/dbraw/zinc/37/37/25/947373725.db2.gz DPQPLACTGDHDLF-UHFFFAOYSA-N 1 0 391.823 1.798 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000173200479 530625669 /nfs/dbraw/zinc/62/56/69/530625669.db2.gz CQWKONLTMZATQT-SNVBAGLBSA-N 1 0 392.275 1.990 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000176977323 530695366 /nfs/dbraw/zinc/69/53/66/530695366.db2.gz NDLDEIRVHJHHMO-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000066579289 530763998 /nfs/dbraw/zinc/76/39/98/530763998.db2.gz QZYGRDSNEKWZCH-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000110650812 530868801 /nfs/dbraw/zinc/86/88/01/530868801.db2.gz CXYRCBNBTCWGOJ-SECBINFHSA-N 1 0 389.193 1.881 20 5 GDBDRO Cc1sc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000124150527 530992557 /nfs/dbraw/zinc/99/25/57/530992557.db2.gz YCOMOQNSLFSJOI-UHFFFAOYSA-N 1 0 376.504 1.223 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000124946169 531000874 /nfs/dbraw/zinc/00/08/74/531000874.db2.gz YKGFRVYZGMJYKZ-NXEZZACHSA-N 1 0 378.248 1.906 20 5 GDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131968784 531076477 /nfs/dbraw/zinc/07/64/77/531076477.db2.gz RXCHXZDPUDUXFI-JTQLQIEISA-N 1 0 399.245 1.284 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261996666 531105098 /nfs/dbraw/zinc/10/50/98/531105098.db2.gz FQQZQNFBAXZJFP-LBPRGKRZSA-N 1 0 383.246 1.477 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000262751725 531128639 /nfs/dbraw/zinc/12/86/39/531128639.db2.gz GRAZAUCTMWGTTG-PRHODGIISA-N 1 0 392.275 1.942 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000154828725 531190198 /nfs/dbraw/zinc/19/01/98/531190198.db2.gz HDTFHIUPOVTNFB-UHFFFAOYSA-N 1 0 387.234 1.624 20 5 GDBDRO COc1c(S(=O)(=O)NCC[NH+](C)C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000276864846 531235119 /nfs/dbraw/zinc/23/51/19/531235119.db2.gz GXPMAGHSDBBXIZ-UHFFFAOYSA-N 1 0 396.263 1.514 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265765419 531285382 /nfs/dbraw/zinc/28/53/82/531285382.db2.gz HENWSYDHTLABLT-ZDUSSCGKSA-N 1 0 399.245 1.427 20 5 GDBDRO CS[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000527073328 531313156 /nfs/dbraw/zinc/31/31/56/531313156.db2.gz JVLIGRXUONTOCG-UONOGXRCSA-N 1 0 386.499 1.258 20 5 GDBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000440962943 531350814 /nfs/dbraw/zinc/35/08/14/531350814.db2.gz LECHYDRUDSAAJJ-GZMMTYOYSA-N 1 0 385.218 1.553 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447247996 531422800 /nfs/dbraw/zinc/42/28/00/531422800.db2.gz JXAIZWUFRQERSR-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415311211 531473431 /nfs/dbraw/zinc/47/34/31/531473431.db2.gz QTBLXRAXGSQKMV-UHFFFAOYSA-N 1 0 385.218 1.493 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415335568 531476635 /nfs/dbraw/zinc/47/66/35/531476635.db2.gz REWMNZUJPGQVDW-SNVBAGLBSA-N 1 0 399.245 1.720 20 5 GDBDRO O=C1C[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CN1 ZINC000414487433 531458466 /nfs/dbraw/zinc/45/84/66/531458466.db2.gz SELUTDYFOXXMLQ-VIFPVBQESA-N 1 0 375.166 1.425 20 5 GDBDRO C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000415347695 531477386 /nfs/dbraw/zinc/47/73/86/531477386.db2.gz JEJRWXBMIXKFBH-VHSXEESVSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415539390 531492257 /nfs/dbraw/zinc/49/22/57/531492257.db2.gz JQDHVIKGANJLJS-IUCAKERBSA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415639912 531507114 /nfs/dbraw/zinc/50/71/14/531507114.db2.gz DEQGUFYGZWFDLX-GHMZBOCLSA-N 1 0 399.245 1.990 20 5 GDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000415825387 531537861 /nfs/dbraw/zinc/53/78/61/531537861.db2.gz ZMVNQAZHNUXDJT-ZDUSSCGKSA-N 1 0 399.245 1.930 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590282191 531688587 /nfs/dbraw/zinc/68/85/87/531688587.db2.gz STMJHRYVXIKIGW-TVQRCGJNSA-N 1 0 397.229 1.458 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000619873301 531720249 /nfs/dbraw/zinc/72/02/49/531720249.db2.gz BGRMPUCZBWDIIB-ZDUSSCGKSA-N 1 0 384.889 1.846 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366309655 531735668 /nfs/dbraw/zinc/73/56/68/531735668.db2.gz OJJAYGHCQLHZPO-MWLCHTKSSA-N 1 0 390.259 1.730 20 5 GDBDRO C[N@@H+]1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000282525687 531765695 /nfs/dbraw/zinc/76/56/95/531765695.db2.gz MBKUMIMDMRLKKG-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592372596 531782456 /nfs/dbraw/zinc/78/24/56/531782456.db2.gz BBUFUYZRHBEEDW-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1=O ZINC000593234511 531823665 /nfs/dbraw/zinc/82/36/65/531823665.db2.gz JGYOPOSEJFWYHZ-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000298642702 531907970 /nfs/dbraw/zinc/90/79/70/531907970.db2.gz RNBIRIKCANUPHD-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000596051108 531904940 /nfs/dbraw/zinc/90/49/40/531904940.db2.gz LUAFYIYXRZEKOV-LLVKDONJSA-N 1 0 378.332 1.653 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271082264 531961946 /nfs/dbraw/zinc/96/19/46/531961946.db2.gz IDSLWODMTDACLJ-WCQYABFASA-N 1 0 375.472 1.270 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000574916179 532002786 /nfs/dbraw/zinc/00/27/86/532002786.db2.gz DUCNCOJWWOPDIK-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599102441 532005794 /nfs/dbraw/zinc/00/57/94/532005794.db2.gz MPLPRWSDZHTQOA-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000285366221 532074895 /nfs/dbraw/zinc/07/48/95/532074895.db2.gz VTUBSYJJMYRGAZ-DOMZBBRYSA-N 1 0 390.483 1.314 20 5 GDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000285405020 532079229 /nfs/dbraw/zinc/07/92/29/532079229.db2.gz YAJQIKZWYXJKFD-UONOGXRCSA-N 1 0 384.230 1.902 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1[NH+](C)C ZINC000272182789 532082840 /nfs/dbraw/zinc/08/28/40/532082840.db2.gz SXWIGPPDCABJDX-QWHCGFSZSA-N 1 0 377.463 1.708 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273086263 532133160 /nfs/dbraw/zinc/13/31/60/532133160.db2.gz IMKRYQREIXFCMD-ZIAGYGMSSA-N 1 0 385.218 1.238 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275452217 532295971 /nfs/dbraw/zinc/29/59/71/532295971.db2.gz IPXNVFYDCOMCQH-HOTGVXAUSA-N 1 0 385.511 1.936 20 5 GDBDRO C[C@@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000289070151 532315001 /nfs/dbraw/zinc/31/50/01/532315001.db2.gz CMCKHNNSZRJMKQ-SNVBAGLBSA-N 1 0 386.455 1.173 20 5 GDBDRO CC(=O)NCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290026885 532335547 /nfs/dbraw/zinc/33/55/47/532335547.db2.gz VNVUUSWECUGOBV-UHFFFAOYSA-N 1 0 377.182 1.815 20 5 GDBDRO Cn1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)cn1 ZINC000737601463 598337007 /nfs/dbraw/zinc/33/70/07/598337007.db2.gz JSECDEGIXZWQPL-UHFFFAOYSA-N 1 0 383.416 1.221 20 5 GDBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCOCC2)c(-c2nn[nH]n2)c1 ZINC000738373348 599473523 /nfs/dbraw/zinc/47/35/23/599473523.db2.gz ARPWIEGOWKKFIH-UHFFFAOYSA-N 1 0 388.432 1.617 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000821189196 606140313 /nfs/dbraw/zinc/14/03/13/606140313.db2.gz IVNXXGKVLZTLCG-AWEZNQCLSA-N 1 0 375.433 1.712 20 5 GDBDRO COC1CC[NH+](CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821679835 606200107 /nfs/dbraw/zinc/20/01/07/606200107.db2.gz OCLAPHRWRHVEKQ-UHFFFAOYSA-N 1 0 398.427 1.846 20 5 GDBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000822229394 606484842 /nfs/dbraw/zinc/48/48/42/606484842.db2.gz TYECYQPQXKZBRV-NWDGAFQWSA-N 1 0 383.416 1.672 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc([N+](=O)[O-])cc1F ZINC000825935254 608035891 /nfs/dbraw/zinc/03/58/91/608035891.db2.gz XORIYZDCQRGYCD-UHFFFAOYSA-N 1 0 375.368 1.284 20 5 GDBDRO CCC[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000825259946 608303748 /nfs/dbraw/zinc/30/37/48/608303748.db2.gz LLLSHVWUSBTSNJ-CQSZACIVSA-N 1 0 375.433 1.712 20 5 GDBDRO CCC[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000825261425 608303786 /nfs/dbraw/zinc/30/37/86/608303786.db2.gz YWYJNECEGIVSTI-LBPRGKRZSA-N 1 0 376.421 1.107 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000541948373 650395985 /nfs/dbraw/zinc/39/59/85/650395985.db2.gz HAYDNHLGFHPYPH-SWLSCSKDSA-N 1 0 399.245 1.628 20 5 GDBDRO C[C@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000553673652 650653674 /nfs/dbraw/zinc/65/36/74/650653674.db2.gz FSMPMJFIQQYKNK-SMDDNHRTSA-N 1 0 388.515 1.598 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)F ZINC000564570318 650761760 /nfs/dbraw/zinc/76/17/60/650761760.db2.gz UCDUOWSZSUQIGX-VIFPVBQESA-N 1 0 399.135 1.912 20 5 GDBDRO COC[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]1 ZINC000564839125 650769272 /nfs/dbraw/zinc/76/92/72/650769272.db2.gz BRKQEUFQFUCHGP-OAHLLOKOSA-N 1 0 386.246 1.785 20 5 GDBDRO C[NH+]1CCN(CCCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000106888938 644614405 /nfs/dbraw/zinc/61/44/05/644614405.db2.gz ARNALLHOMNQKHC-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000123817086 644700373 /nfs/dbraw/zinc/70/03/73/644700373.db2.gz DTBXNYJXYCIYPH-UHFFFAOYSA-N 1 0 392.275 1.977 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124975424 644711072 /nfs/dbraw/zinc/71/10/72/644711072.db2.gz VKAGGEGHQLWLGG-VHSXEESVSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193452811 645052034 /nfs/dbraw/zinc/05/20/34/645052034.db2.gz FVDBIPZRJTVRBO-LDYMZIIASA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000569605458 651006589 /nfs/dbraw/zinc/00/65/89/651006589.db2.gz JCUXXCMFDAMORB-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000919099552 660246142 /nfs/dbraw/zinc/24/61/42/660246142.db2.gz WOHHGFFBCZNRHR-UHFFFAOYSA-N 1 0 385.262 1.467 20 5 GDBDRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000920421083 660271145 /nfs/dbraw/zinc/27/11/45/660271145.db2.gz SNQQXUNEFFYUSN-SECBINFHSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000490041812 647985001 /nfs/dbraw/zinc/98/50/01/647985001.db2.gz HSQNSYDINGIWNO-VIFPVBQESA-N 1 0 380.264 1.833 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000577443120 651730078 /nfs/dbraw/zinc/73/00/78/651730078.db2.gz LEEPEMANWWVJCL-MRXNPFEDSA-N 1 0 398.257 1.473 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000580833556 651942408 /nfs/dbraw/zinc/94/24/08/651942408.db2.gz VHNZPQUEQMYICI-NSHDSACASA-N 1 0 389.861 1.624 20 5 GDBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Br ZINC000582780596 652014841 /nfs/dbraw/zinc/01/48/41/652014841.db2.gz XUFGUMQKFAMHGY-AAEUAGOBSA-N 1 0 399.245 1.972 20 5 GDBDRO COc1cc(Br)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591761042 652165119 /nfs/dbraw/zinc/16/51/19/652165119.db2.gz FGIYYUKOPFGAAO-ZDUSSCGKSA-N 1 0 385.218 1.713 20 5 GDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592553978 652195027 /nfs/dbraw/zinc/19/50/27/652195027.db2.gz ZGDFVOMWDKKVIM-GFCCVEGCSA-N 1 0 387.845 1.704 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594802756 652367857 /nfs/dbraw/zinc/36/78/57/652367857.db2.gz BAMTVWBMCKYKEG-LBPRGKRZSA-N 1 0 392.909 1.799 20 5 GDBDRO C[C@H](CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000595126407 652394396 /nfs/dbraw/zinc/39/43/96/652394396.db2.gz WIFUEQNLUYESMO-SECBINFHSA-N 1 0 387.234 1.752 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742310824 654702151 /nfs/dbraw/zinc/70/21/51/654702151.db2.gz ARIWKWLYHUBXIC-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000787808179 654972937 /nfs/dbraw/zinc/97/29/37/654972937.db2.gz CUNXTVRXMIUDSI-UHFFFAOYSA-N 1 0 390.181 1.977 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810365573 655156723 /nfs/dbraw/zinc/15/67/23/655156723.db2.gz ATBSEXZYAAWGTH-SNVBAGLBSA-N 1 0 399.245 1.754 20 5 GDBDRO CN(CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)c1cc(Br)ccc1[N+](=O)[O-] ZINC000814145249 655257368 /nfs/dbraw/zinc/25/73/68/655257368.db2.gz MHAZBHDKYDVOPA-IAQYHMDHSA-N 1 0 397.273 1.956 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841156924 655310924 /nfs/dbraw/zinc/31/09/24/655310924.db2.gz BHBNVSLOLPTGOV-SNVBAGLBSA-N 1 0 399.245 1.802 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841157292 655310956 /nfs/dbraw/zinc/31/09/56/655310956.db2.gz DHIVMTPJLLMPNM-JTQLQIEISA-N 1 0 399.245 1.720 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841202755 655313796 /nfs/dbraw/zinc/31/37/96/655313796.db2.gz ZDIFSGQZGJVWID-BDAKNGLRSA-N 1 0 385.218 1.492 20 5 GDBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N[C@H]1CC[NH2+]C1 ZINC000841234679 655316283 /nfs/dbraw/zinc/31/62/83/655316283.db2.gz SFGRFTHFEMDGKJ-QMMMGPOBSA-N 1 0 376.154 1.683 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000842225528 655359766 /nfs/dbraw/zinc/35/97/66/655359766.db2.gz PGEWNIXPBFKUAV-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842479682 655366676 /nfs/dbraw/zinc/36/66/76/655366676.db2.gz CZCDSIWWGWCQTF-IUCAKERBSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000842480055 655366798 /nfs/dbraw/zinc/36/67/98/655366798.db2.gz NYAWCESPAWQFPP-KCJUWKMLSA-N 1 0 376.232 1.340 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000842483445 655367520 /nfs/dbraw/zinc/36/75/20/655367520.db2.gz LWMYTKZHIUHVLO-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000842485397 655368050 /nfs/dbraw/zinc/36/80/50/655368050.db2.gz NQJHDFRQWBOUIW-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000842708206 655372527 /nfs/dbraw/zinc/37/25/27/655372527.db2.gz JIISPMXENMIBFZ-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842728574 655374072 /nfs/dbraw/zinc/37/40/72/655374072.db2.gz GSFVLOARWRTAPV-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)ccc1Br ZINC000842748428 655375066 /nfs/dbraw/zinc/37/50/66/655375066.db2.gz OZQJEGYXUZKXIM-SNVBAGLBSA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC000842816567 655379003 /nfs/dbraw/zinc/37/90/03/655379003.db2.gz YUPZHHNDCZWXHH-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC000842816561 655379030 /nfs/dbraw/zinc/37/90/30/655379030.db2.gz YUPZHHNDCZWXHH-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000843082659 655388027 /nfs/dbraw/zinc/38/80/27/655388027.db2.gz TXJSZJRHUQLBJN-KGLIPLIRSA-N 1 0 375.212 1.782 20 5 GDBDRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819339838 655390244 /nfs/dbraw/zinc/39/02/44/655390244.db2.gz UBOLPTNTLDCVCB-CQSZACIVSA-N 1 0 382.214 1.842 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000846232810 655450278 /nfs/dbraw/zinc/45/02/78/655450278.db2.gz UZDYMRFOSOCUOK-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861509700 655824189 /nfs/dbraw/zinc/82/41/89/655824189.db2.gz OKESWVXAOHJICO-ZDUSSCGKSA-N 1 0 399.245 1.752 20 5 GDBDRO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000865816622 655927671 /nfs/dbraw/zinc/92/76/71/655927671.db2.gz NJCUSCOJNJBXKR-LBPRGKRZSA-N 1 0 399.289 1.652 20 5 GDBDRO Cc1cc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000867125165 655999101 /nfs/dbraw/zinc/99/91/01/655999101.db2.gz UBNXNYUSSIMULQ-UHFFFAOYSA-N 1 0 375.422 1.388 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000867345654 656042226 /nfs/dbraw/zinc/04/22/26/656042226.db2.gz SPMVOUCPGPHTHG-UHFFFAOYSA-N 1 0 379.385 1.219 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c1 ZINC000872239223 656320982 /nfs/dbraw/zinc/32/09/82/656320982.db2.gz ONDPJVFHVKGUIJ-DMRZNYOFSA-N 1 0 393.241 1.843 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC2)cn1 ZINC000877622056 656683949 /nfs/dbraw/zinc/68/39/49/656683949.db2.gz DSYXDQGBSWSFKX-VWLOTQADSA-N 1 0 380.392 1.859 20 5 GDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000886890844 657719965 /nfs/dbraw/zinc/71/99/65/657719965.db2.gz WAHRXNMUETZLPE-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000898067880 658913677 /nfs/dbraw/zinc/91/36/77/658913677.db2.gz JHSLIDNGIWZGNX-HNNXBMFYSA-N 1 0 388.262 1.719 20 5 GDBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000900803090 659147164 /nfs/dbraw/zinc/14/71/64/659147164.db2.gz HJQJWSFAUXVSDS-GXFFZTMASA-N 1 0 385.262 1.721 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ncnc(OC)c3[N+](=O)[O-])CC2)CC1 ZINC001164617971 719026474 /nfs/dbraw/zinc/02/64/74/719026474.db2.gz SXUJALLLHZTGHA-UHFFFAOYSA-N 1 0 393.444 1.637 20 5 GDBDRO Cn1nnc2c1CCN(c1cccc([N+](=O)[O-])n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164712911 720172522 /nfs/dbraw/zinc/17/25/22/720172522.db2.gz IDXJPHREUVEZGE-OAHLLOKOSA-N 1 0 387.444 1.335 20 5 GDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732055 720477145 /nfs/dbraw/zinc/47/71/45/720477145.db2.gz YIVKQZBPBDXBTE-HZPDHXFCSA-N 1 0 397.439 1.900 20 5 GDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164745732 720633590 /nfs/dbraw/zinc/63/35/90/720633590.db2.gz WFRZXYSXIUENEI-CABCVRRESA-N 1 0 393.407 1.670 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@H]2C1 ZINC001164854746 720841731 /nfs/dbraw/zinc/84/17/31/720841731.db2.gz SCGZQPBUBVXDOH-KBXCAEBGSA-N 1 0 387.440 1.712 20 5 GDBDRO COc1cc(C)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164770584 721118099 /nfs/dbraw/zinc/11/80/99/721118099.db2.gz RAOCQFKTNCQOSK-CVEARBPZSA-N 1 0 386.456 1.999 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000823620995 946458602 /nfs/dbraw/zinc/45/86/02/946458602.db2.gz VIYCUTRQBXFVOE-KGLIPLIRSA-N 1 0 388.432 1.350 20 5 GDBDRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000176918080 530693980 /nfs/dbraw/zinc/69/39/80/530693980.db2.gz FYSMPXQBKYBPPH-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237726210 531049304 /nfs/dbraw/zinc/04/93/04/531049304.db2.gz ZALXLNFBJJBMQE-LLVKDONJSA-N 1 0 378.248 1.681 20 5 GDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000131968982 531077096 /nfs/dbraw/zinc/07/70/96/531077096.db2.gz RXCHXZDPUDUXFI-SNVBAGLBSA-N 1 0 399.245 1.284 20 5 GDBDRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000264418048 531183865 /nfs/dbraw/zinc/18/38/65/531183865.db2.gz HXNNPMHYMHSMIG-UHFFFAOYSA-N 1 0 377.850 1.325 20 5 GDBDRO CC[N@H+](C)CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000154752857 531189321 /nfs/dbraw/zinc/18/93/21/531189321.db2.gz VYGFCAMSHSTVPW-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158175972 531207912 /nfs/dbraw/zinc/20/79/12/531207912.db2.gz XJIOHKUYLONUGY-ZDUSSCGKSA-N 1 0 389.239 1.954 20 5 GDBDRO Cc1sc(S(=O)(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000472936462 531245195 /nfs/dbraw/zinc/24/51/95/531245195.db2.gz DBGWIWNEJCDEKF-UHFFFAOYSA-N 1 0 390.531 1.659 20 5 GDBDRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277688360 531304059 /nfs/dbraw/zinc/30/40/59/531304059.db2.gz HFNFZQBPLMSNAX-LBPRGKRZSA-N 1 0 375.422 1.513 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 ZINC000277987321 531325731 /nfs/dbraw/zinc/32/57/31/531325731.db2.gz YYQMFPKTEFOQKK-UHFFFAOYSA-N 1 0 396.238 1.869 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000440416180 531337768 /nfs/dbraw/zinc/33/77/68/531337768.db2.gz URDCIRFJAOVRTF-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440341216 531333969 /nfs/dbraw/zinc/33/39/69/531333969.db2.gz PBUZYZXEACPMQZ-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440358398 531334614 /nfs/dbraw/zinc/33/46/14/531334614.db2.gz SOVGQXLKYGVEMZ-JTQLQIEISA-N 1 0 378.248 1.859 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440812484 531346508 /nfs/dbraw/zinc/34/65/08/531346508.db2.gz VRLPMCSJWNPFHB-PELKAZGASA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447246320 531422060 /nfs/dbraw/zinc/42/20/60/531422060.db2.gz OQZNEXNRBIQQHZ-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447244163 531422415 /nfs/dbraw/zinc/42/24/15/531422415.db2.gz JMVWQPQZILIYLF-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415300187 531472348 /nfs/dbraw/zinc/47/23/48/531472348.db2.gz JEQFTJOLXOJVHU-UHFFFAOYSA-N 1 0 399.245 1.802 20 5 GDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415392879 531482234 /nfs/dbraw/zinc/48/22/34/531482234.db2.gz JWJFXEBMPDFBDC-VIFPVBQESA-N 1 0 385.218 1.412 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415445024 531486543 /nfs/dbraw/zinc/48/65/43/531486543.db2.gz SCPBVHIPQYWRGG-JTQLQIEISA-N 1 0 387.234 1.704 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415464083 531488572 /nfs/dbraw/zinc/48/85/72/531488572.db2.gz QUGWKBQFJVPIKR-KCJUWKMLSA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415529443 531491947 /nfs/dbraw/zinc/49/19/47/531491947.db2.gz BBHYWGFKPSDYRA-SNVBAGLBSA-N 1 0 385.218 1.458 20 5 GDBDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000556523904 531496604 /nfs/dbraw/zinc/49/66/04/531496604.db2.gz IJTUCVQJJGJRMC-UHFFFAOYSA-N 1 0 397.229 1.674 20 5 GDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556563233 531499012 /nfs/dbraw/zinc/49/90/12/531499012.db2.gz DMTDCNYKWPOMJD-UHFFFAOYSA-N 1 0 387.234 1.754 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415751330 531524945 /nfs/dbraw/zinc/52/49/45/531524945.db2.gz WCADEVZLEZODCH-NXEZZACHSA-N 1 0 397.229 1.364 20 5 GDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000560223738 531632118 /nfs/dbraw/zinc/63/21/18/531632118.db2.gz AJZMNZIXFQODKT-UHFFFAOYSA-N 1 0 399.245 1.896 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269304852 531640674 /nfs/dbraw/zinc/64/06/74/531640674.db2.gz ZRURITSDHBDMIP-CYBMUJFWSA-N 1 0 399.245 1.427 20 5 GDBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592295018 531776109 /nfs/dbraw/zinc/77/61/09/531776109.db2.gz SVPYIBUUAYGXSU-MRVPVSSYSA-N 1 0 375.166 1.620 20 5 GDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000592492067 531792500 /nfs/dbraw/zinc/79/25/00/531792500.db2.gz MVHDLMDDOOBHRG-GHMZBOCLSA-N 1 0 383.246 1.837 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000283262394 531846809 /nfs/dbraw/zinc/84/68/09/531846809.db2.gz ACOBNBZYASFMMS-LBPRGKRZSA-N 1 0 385.262 1.641 20 5 GDBDRO Cc1c(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000595151878 531868090 /nfs/dbraw/zinc/86/80/90/531868090.db2.gz JINDQGITQVPXDO-UHFFFAOYSA-N 1 0 399.245 1.624 20 5 GDBDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000298173078 531859634 /nfs/dbraw/zinc/85/96/34/531859634.db2.gz UOPVNKXJVUEYSW-UHFFFAOYSA-N 1 0 384.483 1.809 20 5 GDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597989854 531962727 /nfs/dbraw/zinc/96/27/27/531962727.db2.gz KQWJILFUKNIHTE-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598724546 531992928 /nfs/dbraw/zinc/99/29/28/531992928.db2.gz JWYAQUDAEQAGAL-RNCFNFMXSA-N 1 0 390.259 1.859 20 5 GDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000599102881 532006497 /nfs/dbraw/zinc/00/64/97/532006497.db2.gz GOFXZPKUEGWUMY-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285405023 532079188 /nfs/dbraw/zinc/07/91/88/532079188.db2.gz YAJQIKZWYXJKFD-ZIAGYGMSSA-N 1 0 384.230 1.902 20 5 GDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429435676 532228570 /nfs/dbraw/zinc/22/85/70/532228570.db2.gz UKWRMJHCVHERRU-ZDUSSCGKSA-N 1 0 390.531 1.888 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000288003325 532256758 /nfs/dbraw/zinc/25/67/58/532256758.db2.gz BKXLQPONCFDZDR-VIFPVBQESA-N 1 0 387.234 1.671 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000038039774 207260844 /nfs/dbraw/zinc/26/08/44/207260844.db2.gz DJJBTMFUZSAMIR-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821614896 599081433 /nfs/dbraw/zinc/08/14/33/599081433.db2.gz YXFOWJARMIXIKA-CQSZACIVSA-N 1 0 380.412 1.881 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623872 598501845 /nfs/dbraw/zinc/50/18/45/598501845.db2.gz OATWEJFSCIASRS-LBPRGKRZSA-N 1 0 376.421 1.107 20 5 GDBDRO C[C@@H]1C[NH+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820758649 606719091 /nfs/dbraw/zinc/71/90/91/606719091.db2.gz AUFZDMSCSOQRFB-VXGBXAGGSA-N 1 0 376.421 1.471 20 5 GDBDRO CC(C)C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000824274874 607967009 /nfs/dbraw/zinc/96/70/09/607967009.db2.gz MBVWIFQUTXLZOG-AWEZNQCLSA-N 1 0 390.448 1.279 20 5 GDBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825313547 608061075 /nfs/dbraw/zinc/06/10/75/608061075.db2.gz JMKRVXYDSDZEJI-UHFFFAOYSA-N 1 0 383.412 1.849 20 5 GDBDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551495857 650607722 /nfs/dbraw/zinc/60/77/22/650607722.db2.gz NTUSBSJEZVCPPW-JTQLQIEISA-N 1 0 399.245 1.754 20 5 GDBDRO CS(=O)(=O)C1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000564571071 650761776 /nfs/dbraw/zinc/76/17/76/650761776.db2.gz PZWDAPMPKOSESL-UHFFFAOYSA-N 1 0 375.834 1.031 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000566224614 650836437 /nfs/dbraw/zinc/83/64/37/650836437.db2.gz VCVZQNNKZDLGAJ-NSHDSACASA-N 1 0 389.861 1.624 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCC1 ZINC000124042645 644702719 /nfs/dbraw/zinc/70/27/19/644702719.db2.gz AOTVGSUKZULMBN-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000178964183 644929806 /nfs/dbraw/zinc/92/98/06/644929806.db2.gz AWWSFMUEKZPDFF-SECBINFHSA-N 1 0 389.193 1.881 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@]2(C[NH3+])CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000193320242 645048687 /nfs/dbraw/zinc/04/86/87/645048687.db2.gz QHLCUDPATQTKEN-BMIGLBTASA-N 1 0 375.422 1.928 20 5 GDBDRO COC[C@]1(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CCC[NH2+]1 ZINC000262217612 645125555 /nfs/dbraw/zinc/12/55/55/645125555.db2.gz FJUNQFWUQDGJOH-CQSZACIVSA-N 1 0 377.850 1.604 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330540916 645372638 /nfs/dbraw/zinc/37/26/38/645372638.db2.gz RWBYQDQSXRWUQL-NWDGAFQWSA-N 1 0 379.891 1.914 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000570324984 651035261 /nfs/dbraw/zinc/03/52/61/651035261.db2.gz DWZAIVDRGAOFNP-ZDUSSCGKSA-N 1 0 387.238 1.181 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000445550578 647269414 /nfs/dbraw/zinc/26/94/14/647269414.db2.gz RCDLOYYNCRNXMY-VHSXEESVSA-N 1 0 378.248 1.906 20 5 GDBDRO C[N@@H+]1CC[C@](O)(CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000514819263 648467133 /nfs/dbraw/zinc/46/71/33/648467133.db2.gz BSOKMSASCWMREC-ZDUSSCGKSA-N 1 0 391.209 1.356 20 5 GDBDRO CC(C)(CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000578859464 651819678 /nfs/dbraw/zinc/81/96/78/651819678.db2.gz OZTHHOQFNSPECL-UHFFFAOYSA-N 1 0 378.472 1.171 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC(F)(F)CN ZINC000579228775 651842571 /nfs/dbraw/zinc/84/25/71/651842571.db2.gz BOCWHQXLOURNES-UHFFFAOYSA-N 1 0 399.135 1.832 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591304515 652160857 /nfs/dbraw/zinc/16/08/57/652160857.db2.gz ICEMPJCSPUOYPN-ZANVPECISA-N 1 0 397.229 1.506 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592379178 652185059 /nfs/dbraw/zinc/18/50/59/652185059.db2.gz IZOVTTJIDIMCHA-LLVKDONJSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000594820333 652373271 /nfs/dbraw/zinc/37/32/71/652373271.db2.gz BRFMNHAXARBNRJ-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000595942109 652428373 /nfs/dbraw/zinc/42/83/73/652428373.db2.gz GVBFUMOCXLXFEX-UHFFFAOYSA-N 1 0 387.177 1.763 20 5 GDBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000595946188 652428881 /nfs/dbraw/zinc/42/88/81/652428881.db2.gz JSRPVZVAXQEEPU-UHFFFAOYSA-N 1 0 387.177 1.681 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939331 652519010 /nfs/dbraw/zinc/51/90/10/652519010.db2.gz HJZIJZHXAOICHY-QWRGUYRKSA-N 1 0 384.230 1.638 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000612576094 652939088 /nfs/dbraw/zinc/93/90/88/652939088.db2.gz FYRRMJAAFIJWLA-LLVKDONJSA-N 1 0 381.376 1.595 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000784640113 654893047 /nfs/dbraw/zinc/89/30/47/654893047.db2.gz LJTNSAHONFALDJ-SECBINFHSA-N 1 0 387.234 1.671 20 5 GDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000830554099 654949594 /nfs/dbraw/zinc/94/95/94/654949594.db2.gz OPQNPBPDBXPJKZ-CQSZACIVSA-N 1 0 383.202 1.531 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788072680 654981715 /nfs/dbraw/zinc/98/17/15/654981715.db2.gz UHRVVJROJDMDLT-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000815016155 655278317 /nfs/dbraw/zinc/27/83/17/655278317.db2.gz YLVQWWKQPXYBTO-SNVBAGLBSA-N 1 0 395.840 1.512 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000841199925 655313552 /nfs/dbraw/zinc/31/35/52/655313552.db2.gz ICDIMGAMMNFYHC-VHSXEESVSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841229341 655315923 /nfs/dbraw/zinc/31/59/23/655315923.db2.gz RGZVXQKESOIGAJ-KWQFWETISA-N 1 0 385.218 1.553 20 5 GDBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N[C@@H]1CC[NH2+]C1 ZINC000841234678 655316330 /nfs/dbraw/zinc/31/63/30/655316330.db2.gz SFGRFTHFEMDGKJ-MRVPVSSYSA-N 1 0 376.154 1.683 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000841524576 655337183 /nfs/dbraw/zinc/33/71/83/655337183.db2.gz PLQSJDZFAKHLNK-QMMMGPOBSA-N 1 0 396.238 1.726 20 5 GDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000841530176 655338719 /nfs/dbraw/zinc/33/87/19/655338719.db2.gz QQOIAERDHHBYRM-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000842226559 655359738 /nfs/dbraw/zinc/35/97/38/655359738.db2.gz WQXOJSKHXYOWQB-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000842775688 655376391 /nfs/dbraw/zinc/37/63/91/655376391.db2.gz SFBZPRQGDNKMNZ-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842815617 655378934 /nfs/dbraw/zinc/37/89/34/655378934.db2.gz SRHIYJSWPSSJHN-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000825188345 655485406 /nfs/dbraw/zinc/48/54/06/655485406.db2.gz JKCURXVLHQACEU-VIFPVBQESA-N 1 0 376.182 1.605 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000849428962 655533686 /nfs/dbraw/zinc/53/36/86/655533686.db2.gz GTLUFASTDKTBND-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000850590438 655559487 /nfs/dbraw/zinc/55/94/87/655559487.db2.gz JGZZWCVGZYKKAV-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000851885926 655602451 /nfs/dbraw/zinc/60/24/51/655602451.db2.gz NWUVLDXYMQKCIO-GFCCVEGCSA-N 1 0 375.422 1.465 20 5 GDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000857308952 655734320 /nfs/dbraw/zinc/73/43/20/655734320.db2.gz UJWKEQUGOSPYFQ-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000865059133 655910934 /nfs/dbraw/zinc/91/09/34/655910934.db2.gz LAVHHIQHEMYDMB-CHWSQXEVSA-N 1 0 398.257 1.879 20 5 GDBDRO CN1CC[NH+](C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213823 655936181 /nfs/dbraw/zinc/93/61/81/655936181.db2.gz ZUXQPEOSJPZLEC-UHFFFAOYSA-N 1 0 384.278 1.969 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000868089110 656140297 /nfs/dbraw/zinc/14/02/97/656140297.db2.gz MCUYSFJTNYAMKK-ZDUSSCGKSA-N 1 0 397.273 1.406 20 5 GDBDRO C[NH+]1CCC2(CC1)CC(=O)NN(c1cc([N+](=O)[O-])ccc1Br)C2=O ZINC000871960041 656304338 /nfs/dbraw/zinc/30/43/38/656304338.db2.gz SRKHMZOSXSQRDE-UHFFFAOYSA-N 1 0 397.229 1.837 20 5 GDBDRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000924990696 656690356 /nfs/dbraw/zinc/69/03/56/656690356.db2.gz WSLKWKQOKFRDNW-RKDXNWHRSA-N 1 0 376.182 1.291 20 5 GDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896563648 658789989 /nfs/dbraw/zinc/78/99/89/658789989.db2.gz NRWOIWUOGQTLJF-QMTHXVAHSA-N 1 0 385.262 1.721 20 5 GDBDRO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000900804333 659147847 /nfs/dbraw/zinc/14/78/47/659147847.db2.gz KLBBSICRJJOVFO-XHDPSFHLSA-N 1 0 399.289 1.650 20 5 GDBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908074488 659865356 /nfs/dbraw/zinc/86/53/56/659865356.db2.gz ZLWVDFRSYRFTJB-MGPLVRAMSA-N 1 0 398.257 1.697 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164614349 719013492 /nfs/dbraw/zinc/01/34/92/719013492.db2.gz FBGVQYRYJPYEAU-INTQDDNPSA-N 1 0 390.774 1.918 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164620406 719014055 /nfs/dbraw/zinc/01/40/55/719014055.db2.gz ZAEKVUNARWNUQC-UWJYBYFXSA-N 1 0 390.774 1.918 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820645 720313277 /nfs/dbraw/zinc/31/32/77/720313277.db2.gz HZEWEFPCHGTSTK-HOTGVXAUSA-N 1 0 388.472 1.605 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164747141 720724946 /nfs/dbraw/zinc/72/49/46/720724946.db2.gz ZZJCWRMZRHDNQV-STQMWFEESA-N 1 0 392.803 1.014 20 5 GDBDRO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164891316 721445198 /nfs/dbraw/zinc/44/51/98/721445198.db2.gz GDAHRJGAYYUZNP-LPHOPBHVSA-N 1 0 390.488 1.459 20 5 GDBDRO Cc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001165004908 722257698 /nfs/dbraw/zinc/25/76/98/722257698.db2.gz XCJCBCDQGPGYON-UHFFFAOYSA-N 1 0 375.433 1.378 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001596430994 984098959 /nfs/dbraw/zinc/09/89/59/984098959.db2.gz QXPHRQVTDFKPTF-AWEZNQCLSA-N 1 0 380.445 1.174 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000106895338 530851463 /nfs/dbraw/zinc/85/14/63/530851463.db2.gz YORJPQJDUOGOFP-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000186907227 530864507 /nfs/dbraw/zinc/86/45/07/530864507.db2.gz IWJKJRGITGBRIH-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237504599 531047276 /nfs/dbraw/zinc/04/72/76/531047276.db2.gz IYEDLIMJNPSLEB-SCZZXKLOSA-N 1 0 378.248 1.858 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262174919 531111343 /nfs/dbraw/zinc/11/13/43/531111343.db2.gz YTVONSYIDNQMPB-NSHDSACASA-N 1 0 380.754 1.814 20 5 GDBDRO CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000262743291 531128226 /nfs/dbraw/zinc/12/82/26/531128226.db2.gz CZCYJTZCDPMFRX-UHFFFAOYSA-N 1 0 396.263 1.562 20 5 GDBDRO Cc1c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000521000607 531237857 /nfs/dbraw/zinc/23/78/57/531237857.db2.gz XBVUVXUCYSBUKV-LLVKDONJSA-N 1 0 386.250 1.772 20 5 GDBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292731444 531374273 /nfs/dbraw/zinc/37/42/73/531374273.db2.gz GHENNFLMHSSGTC-GFCCVEGCSA-N 1 0 379.385 1.662 20 5 GDBDRO C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000415347693 531477904 /nfs/dbraw/zinc/47/79/04/531477904.db2.gz JEJRWXBMIXKFBH-NXEZZACHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000490049249 531518981 /nfs/dbraw/zinc/51/89/81/531518981.db2.gz YKDYWCJLIFDMPT-SECBINFHSA-N 1 0 380.264 1.833 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415646307 531506545 /nfs/dbraw/zinc/50/65/45/531506545.db2.gz MQTSLNDWGDDZJF-ZJUUUORDSA-N 1 0 385.218 1.682 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000610604544 531509704 /nfs/dbraw/zinc/50/97/04/531509704.db2.gz BMIVOEUHCDDRBN-UTLUCORTSA-N 1 0 376.257 1.825 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415835921 531540773 /nfs/dbraw/zinc/54/07/73/531540773.db2.gz PLNCONJWKYHJRW-WPRPVWTQSA-N 1 0 385.218 1.539 20 5 GDBDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000585757143 531638891 /nfs/dbraw/zinc/63/88/91/531638891.db2.gz OBWUGXCSYJSRSP-UHFFFAOYSA-N 1 0 399.245 1.848 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000416499118 531649028 /nfs/dbraw/zinc/64/90/28/531649028.db2.gz ZWQSJUGITBHYSE-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000561689796 531719176 /nfs/dbraw/zinc/71/91/76/531719176.db2.gz SDILILXPMQEAHH-INIZCTEOSA-N 1 0 385.873 1.913 20 5 GDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000592295019 531776380 /nfs/dbraw/zinc/77/63/80/531776380.db2.gz SVPYIBUUAYGXSU-QMMMGPOBSA-N 1 0 375.166 1.620 20 5 GDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1I ZINC000368384895 531908039 /nfs/dbraw/zinc/90/80/39/531908039.db2.gz LARDENOFSLZHNL-YUMQZZPRSA-N 1 0 393.156 1.629 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)cc1Br ZINC000369070013 531941077 /nfs/dbraw/zinc/94/10/77/531941077.db2.gz FYOWOFPGPWRGND-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000271102344 531966196 /nfs/dbraw/zinc/96/61/96/531966196.db2.gz NROLRMNCPAYPGJ-TZMCWYRMSA-N 1 0 375.472 1.270 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599106101 532005932 /nfs/dbraw/zinc/00/59/32/532005932.db2.gz RUDKHLHIHUGPPX-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000420467529 532020521 /nfs/dbraw/zinc/02/05/21/532020521.db2.gz DGPGOHHUAXZZPK-SNVBAGLBSA-N 1 0 383.348 1.352 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420481094 532021728 /nfs/dbraw/zinc/02/17/28/532021728.db2.gz QENMCDHYZAURTL-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000581455536 532082539 /nfs/dbraw/zinc/08/25/39/532082539.db2.gz NXJAWMLNRBTTNG-STQMWFEESA-N 1 0 384.376 1.906 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@H]1[NH+](C)C ZINC000272182783 532082601 /nfs/dbraw/zinc/08/26/01/532082601.db2.gz SXWIGPPDCABJDX-OLZOCXBDSA-N 1 0 377.463 1.708 20 5 GDBDRO CSCCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603472558 532093230 /nfs/dbraw/zinc/09/32/30/532093230.db2.gz ADLPTRRYJVEBSJ-UHFFFAOYSA-N 1 0 376.504 1.600 20 5 GDBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000286589870 532162344 /nfs/dbraw/zinc/16/23/44/532162344.db2.gz QQKJILOZHKCMQM-CABCVRRESA-N 1 0 399.245 1.412 20 5 GDBDRO C[C@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000289070147 532315019 /nfs/dbraw/zinc/31/50/19/532315019.db2.gz CMCKHNNSZRJMKQ-JTQLQIEISA-N 1 0 386.455 1.173 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CO)CCOCC2)c1 ZINC000289549082 532327542 /nfs/dbraw/zinc/32/75/42/532327542.db2.gz DEWFWZVRVMOQJM-UHFFFAOYSA-N 1 0 392.193 1.831 20 5 GDBDRO COCCOCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289872105 532333192 /nfs/dbraw/zinc/33/31/92/532333192.db2.gz LUSBPVDUISJIHH-UHFFFAOYSA-N 1 0 380.182 1.952 20 5 GDBDRO O=C(C[NH+]1CCC2(CC1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000026934098 207321442 /nfs/dbraw/zinc/32/14/42/207321442.db2.gz JAFNRJRWZWZSFK-UHFFFAOYSA-N 1 0 390.440 1.082 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000738369611 599358167 /nfs/dbraw/zinc/35/81/67/599358167.db2.gz KGNYTHYGDIYEJL-CQSZACIVSA-N 1 0 396.411 1.735 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc1 ZINC000738369657 599358280 /nfs/dbraw/zinc/35/82/80/599358280.db2.gz LJSWFNSXVZXZDL-CYBMUJFWSA-N 1 0 384.375 1.995 20 5 GDBDRO CC(C)(O)C[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819991813 599518398 /nfs/dbraw/zinc/51/83/98/599518398.db2.gz MARGZBUTFRXFPO-UHFFFAOYSA-N 1 0 398.427 1.216 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCSCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645907 599554302 /nfs/dbraw/zinc/55/43/02/599554302.db2.gz VPDJJJRPMURWDZ-UHFFFAOYSA-N 1 0 386.441 1.784 20 5 GDBDRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824995282 608149733 /nfs/dbraw/zinc/14/97/33/608149733.db2.gz YDVMJLBQRXNKPG-DZGCQCFKSA-N 1 0 386.460 1.237 20 5 GDBDRO Cn1cnc(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000564408080 650757014 /nfs/dbraw/zinc/75/70/14/650757014.db2.gz SXNFYMARZZBZGM-UHFFFAOYSA-N 1 0 387.181 1.660 20 5 GDBDRO CCN(CCO)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000565863128 650818341 /nfs/dbraw/zinc/81/83/41/650818341.db2.gz ONUFRFSCANXVQR-UHFFFAOYSA-N 1 0 393.225 1.603 20 5 GDBDRO CS(=O)(=O)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000567708452 650915834 /nfs/dbraw/zinc/91/58/34/650915834.db2.gz OZVGOEJGLXLQTM-UHFFFAOYSA-N 1 0 390.483 1.316 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000122409903 644687738 /nfs/dbraw/zinc/68/77/38/644687738.db2.gz MHPNRJXHCNVIMB-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000125115306 644711845 /nfs/dbraw/zinc/71/18/45/644711845.db2.gz RJCKXFGPHHDCJE-IUCAKERBSA-N 1 0 378.248 1.858 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)cc1Br ZINC000178935732 644928965 /nfs/dbraw/zinc/92/89/65/644928965.db2.gz KCEUWCUVVMYGNU-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193447454 645051380 /nfs/dbraw/zinc/05/13/80/645051380.db2.gz FCDLMDXNOXGYLI-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000331801673 645535064 /nfs/dbraw/zinc/53/50/64/645535064.db2.gz KBXRLDOUOCQJLG-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)c1 ZINC000378007599 645861046 /nfs/dbraw/zinc/86/10/46/645861046.db2.gz UAFYXLSWUVBOOT-UWVGGRQHSA-N 1 0 379.360 1.844 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCN2CCOCC2)c1 ZINC000571844017 651084136 /nfs/dbraw/zinc/08/41/36/651084136.db2.gz WZUJBHIBOCPQGU-UHFFFAOYSA-N 1 0 391.209 1.621 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CC1 ZINC000580188734 651902309 /nfs/dbraw/zinc/90/23/09/651902309.db2.gz RUVHCQNJZYEATI-UHFFFAOYSA-N 1 0 375.166 1.553 20 5 GDBDRO COc1c(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000582487420 651999319 /nfs/dbraw/zinc/99/93/19/651999319.db2.gz TUTBKNZQDLOGBL-YUMQZZPRSA-N 1 0 396.263 1.688 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@@H]2C1 ZINC000589926742 652121362 /nfs/dbraw/zinc/12/13/62/652121362.db2.gz ZVNLENYJQGXXKP-BXKDBHETSA-N 1 0 379.360 1.938 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c(Br)c1 ZINC000592390339 652188411 /nfs/dbraw/zinc/18/84/11/652188411.db2.gz SSERUBFDOAEBFL-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000592389796 652188419 /nfs/dbraw/zinc/18/84/19/652188419.db2.gz PUNFQKYHRNYOGE-IUCAKERBSA-N 1 0 396.238 1.644 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595344384 652409735 /nfs/dbraw/zinc/40/97/35/652409735.db2.gz DFBDLFLRNWHDHS-LLVKDONJSA-N 1 0 375.422 1.847 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000595403123 652417497 /nfs/dbraw/zinc/41/74/97/652417497.db2.gz CAOLHEZZVAZDCZ-CYBMUJFWSA-N 1 0 391.877 1.980 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599108436 652478878 /nfs/dbraw/zinc/47/88/78/652478878.db2.gz SEHJFKKUZVYMCI-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939249 652519286 /nfs/dbraw/zinc/51/92/86/652519286.db2.gz UCNLNLUYSUPUIT-NEPJUHHUSA-N 1 0 384.230 1.638 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])s1 ZINC000603401015 652711161 /nfs/dbraw/zinc/71/11/61/652711161.db2.gz DKSGCVREUJUCQC-UHFFFAOYSA-N 1 0 376.504 1.271 20 5 GDBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809831673 655140007 /nfs/dbraw/zinc/14/00/07/655140007.db2.gz ZHKQICGCUMMSTH-LBPRGKRZSA-N 1 0 384.241 1.247 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191964 655233926 /nfs/dbraw/zinc/23/39/26/655233926.db2.gz DORMNKQKSWOMDB-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841170229 655311943 /nfs/dbraw/zinc/31/19/43/655311943.db2.gz SBTLXHKZAVRPRS-JTQLQIEISA-N 1 0 399.245 1.720 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000841170102 655311974 /nfs/dbraw/zinc/31/19/74/655311974.db2.gz CBDWNIXRRXRGBP-JTQLQIEISA-N 1 0 399.245 1.672 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841170594 655311976 /nfs/dbraw/zinc/31/19/76/655311976.db2.gz WEVRYLLMHSVLOV-SECBINFHSA-N 1 0 385.218 1.364 20 5 GDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841178985 655312131 /nfs/dbraw/zinc/31/21/31/655312131.db2.gz WOOWLKBGTZXLDS-JTQLQIEISA-N 1 0 387.234 1.785 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000842482438 655367438 /nfs/dbraw/zinc/36/74/38/655367438.db2.gz WASXMOFCCIGRDG-JTQLQIEISA-N 1 0 394.247 1.014 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c(Br)c1 ZINC000842484937 655367970 /nfs/dbraw/zinc/36/79/70/655367970.db2.gz FTTDECNDYFBALU-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842832399 655380189 /nfs/dbraw/zinc/38/01/89/655380189.db2.gz BMQXBQRJMPHFLT-KCJUWKMLSA-N 1 0 378.248 1.634 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842893498 655383235 /nfs/dbraw/zinc/38/32/35/655383235.db2.gz WWWIVSXXZXCZHK-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000843082662 655388010 /nfs/dbraw/zinc/38/80/10/655388010.db2.gz TXJSZJRHUQLBJN-UONOGXRCSA-N 1 0 375.212 1.782 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Br)c2)c1 ZINC000843112245 655388797 /nfs/dbraw/zinc/38/87/97/655388797.db2.gz DRESJHSXBYYYKK-UONOGXRCSA-N 1 0 385.218 1.238 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])[NH+](C)C ZINC000849429503 655533849 /nfs/dbraw/zinc/53/38/49/655533849.db2.gz RZVMHPOTWOFIEE-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO COC(=O)N(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000850389706 655554161 /nfs/dbraw/zinc/55/41/61/655554161.db2.gz DELAFNVORBASLX-UHFFFAOYSA-N 1 0 393.181 1.987 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000850592202 655559572 /nfs/dbraw/zinc/55/95/72/655559572.db2.gz IXDYFTNYDIHRFG-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000858625707 655751164 /nfs/dbraw/zinc/75/11/64/655751164.db2.gz YJCVKAQZLXYAAG-WDEREUQCSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000861543715 655825651 /nfs/dbraw/zinc/82/56/51/655825651.db2.gz DBRIMWPOBYSAJT-WCBMZHEXSA-N 1 0 385.218 1.471 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000865905590 655929671 /nfs/dbraw/zinc/92/96/71/655929671.db2.gz PITOBULNNFMAPD-MNOVXSKESA-N 1 0 375.397 1.979 20 5 GDBDRO CS(=O)(=O)CCOCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877045522 656649061 /nfs/dbraw/zinc/64/90/61/656649061.db2.gz XRNFZOLUPSOETF-UHFFFAOYSA-N 1 0 387.277 1.570 20 5 GDBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896556839 658788902 /nfs/dbraw/zinc/78/89/02/658788902.db2.gz QIOULDXUJXTQKR-YGRLFVJLSA-N 1 0 385.262 1.721 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(OC)c1[N+](=O)[O-])C2 ZINC001164816189 720115756 /nfs/dbraw/zinc/11/57/56/720115756.db2.gz YHZOEJFHKAUGQK-KBXCAEBGSA-N 1 0 377.445 1.578 20 5 GDBDRO Cn1nnc2c1CCN(c1cccc([N+](=O)[O-])n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164712910 720172854 /nfs/dbraw/zinc/17/28/54/720172854.db2.gz IDXJPHREUVEZGE-HNNXBMFYSA-N 1 0 387.444 1.335 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ccc([N+](=O)[O-])c(N)n4)C3)O2)CC1 ZINC001164883465 721419917 /nfs/dbraw/zinc/41/99/17/721419917.db2.gz AAKGQJCLFWDLNJ-HNAYVOBHSA-N 1 0 390.488 1.337 20 5 GDBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc([N+](=O)[O-])c3cc[nH]c3n2)CC1 ZINC001165011356 721742362 /nfs/dbraw/zinc/74/23/62/721742362.db2.gz VXVQQCHGYFQROF-UHFFFAOYSA-N 1 0 386.456 1.994 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CCN(CCOc3ccccc3)CC2)nc1C1C[NH2+]C1 ZINC001165047144 721962184 /nfs/dbraw/zinc/96/21/84/721962184.db2.gz RYBYMRPDRFMVSR-UHFFFAOYSA-N 1 0 384.440 1.273 20 5 GDBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330193 947960473 /nfs/dbraw/zinc/96/04/73/947960473.db2.gz JCKUNBYVLBSAED-UHFFFAOYSA-N 1 0 397.443 1.098 20 5 GDBDRO C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592512994 978342073 /nfs/dbraw/zinc/34/20/73/978342073.db2.gz AALRNBYZHSBIAK-CQSZACIVSA-N 1 0 380.445 1.174 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000158934734 530537677 /nfs/dbraw/zinc/53/76/77/530537677.db2.gz CCNFGXRIMKZKFK-GFCCVEGCSA-N 1 0 377.850 1.373 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000158924720 530537729 /nfs/dbraw/zinc/53/77/29/530537729.db2.gz RAIYLBKJIMXMED-LBPRGKRZSA-N 1 0 391.877 1.682 20 5 GDBDRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000161653440 530563221 /nfs/dbraw/zinc/56/32/21/530563221.db2.gz PMUGFMGVOAAASL-ZDUSSCGKSA-N 1 0 375.422 1.105 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000178790239 530728375 /nfs/dbraw/zinc/72/83/75/530728375.db2.gz LIJMGDUDDIFWCJ-MRVPVSSYSA-N 1 0 375.166 1.681 20 5 GDBDRO CC[NH+]1CCN(C[C@H](C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181459689 530783656 /nfs/dbraw/zinc/78/36/56/530783656.db2.gz NKHGTAKCVQBKKJ-GFCCVEGCSA-N 1 0 390.531 1.745 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122567003 530973615 /nfs/dbraw/zinc/97/36/15/530973615.db2.gz QHGRNMWAFTVBLQ-NSHDSACASA-N 1 0 390.893 1.471 20 5 GDBDRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000123504768 530984558 /nfs/dbraw/zinc/98/45/58/530984558.db2.gz ZUEQXMKCWFGULW-UHFFFAOYSA-N 1 0 390.893 1.506 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000122165660 530967756 /nfs/dbraw/zinc/96/77/56/530967756.db2.gz OEQTUJTXMCOCBS-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195306696 531019933 /nfs/dbraw/zinc/01/99/33/531019933.db2.gz WPSSTNJHDIZYDK-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000127505660 531031283 /nfs/dbraw/zinc/03/12/83/531031283.db2.gz IKFWIHXGPCBZNM-CHWSQXEVSA-N 1 0 389.499 1.703 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000124946371 531001299 /nfs/dbraw/zinc/00/12/99/531001299.db2.gz YKGFRVYZGMJYKZ-ZJUUUORDSA-N 1 0 378.248 1.906 20 5 GDBDRO CCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000236824329 531040179 /nfs/dbraw/zinc/04/01/79/531040179.db2.gz FKQXBGZUNKAHGT-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO [NH3+]C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000237908406 531052314 /nfs/dbraw/zinc/05/23/14/531052314.db2.gz BRHGOJIEXRRGMH-NSHDSACASA-N 1 0 375.166 1.667 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277006766 531248776 /nfs/dbraw/zinc/24/87/76/531248776.db2.gz KVVCWRCDTGXVRA-NSHDSACASA-N 1 0 375.422 1.847 20 5 GDBDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000290817880 531258611 /nfs/dbraw/zinc/25/86/11/531258611.db2.gz OKCFGVRFLMKIOR-UHFFFAOYSA-N 1 0 397.229 1.674 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000440332582 531333615 /nfs/dbraw/zinc/33/36/15/531333615.db2.gz AVENCPADPVFXIN-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000440809233 531345417 /nfs/dbraw/zinc/34/54/17/531345417.db2.gz SDPXNOXXJIEZDL-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000447246246 531422014 /nfs/dbraw/zinc/42/20/14/531422014.db2.gz HAYXIMJNZQCDBQ-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000268214784 531485648 /nfs/dbraw/zinc/48/56/48/531485648.db2.gz AZNNTFDECJZZED-GFCCVEGCSA-N 1 0 375.447 1.239 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415623492 531504236 /nfs/dbraw/zinc/50/42/36/531504236.db2.gz ZVENHDKMKMSCTI-PRHODGIISA-N 1 0 385.218 1.410 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415666459 531510478 /nfs/dbraw/zinc/51/04/78/531510478.db2.gz ZRGOAYSUSSXEAY-GZMMTYOYSA-N 1 0 399.245 1.718 20 5 GDBDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000590971641 531701287 /nfs/dbraw/zinc/70/12/87/531701287.db2.gz CEYJICITZOWGIS-JTQLQIEISA-N 1 0 389.193 1.815 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000619493856 531708668 /nfs/dbraw/zinc/70/86/68/531708668.db2.gz CFPJTTMMLXWYPH-NEPJUHHUSA-N 1 0 375.472 1.270 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269867070 531790347 /nfs/dbraw/zinc/79/03/47/531790347.db2.gz DYDPCYPWIYKENZ-ZDUSSCGKSA-N 1 0 378.198 1.539 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)c1 ZINC000598990219 532002442 /nfs/dbraw/zinc/00/24/42/532002442.db2.gz KRQJVCLMROWKIB-QWHCGFSZSA-N 1 0 392.193 1.829 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301519949 532034662 /nfs/dbraw/zinc/03/46/62/532034662.db2.gz GNPMIUDEWHTCIS-SNVBAGLBSA-N 1 0 386.250 1.752 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000374393043 532120315 /nfs/dbraw/zinc/12/03/15/532120315.db2.gz LQTYMNZMCBNJIO-UTUOFQBUSA-N 1 0 375.472 1.529 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000374393041 532120437 /nfs/dbraw/zinc/12/04/37/532120437.db2.gz LQTYMNZMCBNJIO-GRYCIOLGSA-N 1 0 375.472 1.529 20 5 GDBDRO COC(=O)[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000425466688 532139933 /nfs/dbraw/zinc/13/99/33/532139933.db2.gz BWEMZWXRWDBFOF-GFCCVEGCSA-N 1 0 386.246 1.894 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736748286 598580014 /nfs/dbraw/zinc/58/00/14/598580014.db2.gz XBNDPMSSPARTEQ-UHFFFAOYSA-N 1 0 388.432 1.130 20 5 GDBDRO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)N1CC[NH+](C)CC1 ZINC000820274110 599518248 /nfs/dbraw/zinc/51/82/48/599518248.db2.gz DMEDWBCTNZGJNE-GFCCVEGCSA-N 1 0 397.443 1.371 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821189520 606140571 /nfs/dbraw/zinc/14/05/71/606140571.db2.gz NSDCDSCSRIWCNB-AWEZNQCLSA-N 1 0 375.433 1.712 20 5 GDBDRO CC(C)([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000819987575 606204946 /nfs/dbraw/zinc/20/49/46/606204946.db2.gz ADLKSASJYYTIGD-LLVKDONJSA-N 1 0 383.416 1.538 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000823620730 606700053 /nfs/dbraw/zinc/70/00/53/606700053.db2.gz PERPAOAKVMCNGO-UHFFFAOYSA-N 1 0 381.400 1.641 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000823621199 606701963 /nfs/dbraw/zinc/70/19/63/606701963.db2.gz ZCERDZQRGCNURI-UHFFFAOYSA-N 1 0 386.441 1.596 20 5 GDBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826502131 608463369 /nfs/dbraw/zinc/46/33/69/608463369.db2.gz VITKDMQMAHBTRP-UHFFFAOYSA-N 1 0 393.407 1.726 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000122551526 644689339 /nfs/dbraw/zinc/68/93/39/644689339.db2.gz CQNQBLXCTVLIOL-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000125238395 644713297 /nfs/dbraw/zinc/71/32/97/644713297.db2.gz YBZWDOHGWVKQRY-IUCAKERBSA-N 1 0 378.248 1.906 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000178936618 644929056 /nfs/dbraw/zinc/92/90/56/644929056.db2.gz YNNBCGBIEJFUQD-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000178942611 644929451 /nfs/dbraw/zinc/92/94/51/644929451.db2.gz OBTWCPBSPWXNNI-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193403769 645050883 /nfs/dbraw/zinc/05/08/83/645050883.db2.gz UMKJBHHGYJFFLM-GZMMTYOYSA-N 1 0 378.248 1.634 20 5 GDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237848269 645088219 /nfs/dbraw/zinc/08/82/19/645088219.db2.gz XKWUGIZXWKDVLZ-PSASIEDQSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCCn2cc(Br)cn2)c1 ZINC000570324983 651035281 /nfs/dbraw/zinc/03/52/81/651035281.db2.gz DWZAIVDRGAOFNP-CYBMUJFWSA-N 1 0 387.238 1.181 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415531944 645896847 /nfs/dbraw/zinc/89/68/47/645896847.db2.gz VOTYKFMESVXODH-PSASIEDQSA-N 1 0 399.245 1.800 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000461906591 647503461 /nfs/dbraw/zinc/50/34/61/647503461.db2.gz ZNQWEFBLHCIMGQ-LBPRGKRZSA-N 1 0 378.248 1.715 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000576399954 651660355 /nfs/dbraw/zinc/66/03/55/651660355.db2.gz XILQVKOTQHEPFH-XYPYZODXSA-N 1 0 375.422 1.786 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926503 652121368 /nfs/dbraw/zinc/12/13/68/652121368.db2.gz VJLVREFBCZRRQR-BXKDBHETSA-N 1 0 390.259 1.682 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593734495 652245715 /nfs/dbraw/zinc/24/57/15/652245715.db2.gz LAUZQBPVADLYMN-UTUOFQBUSA-N 1 0 375.472 1.563 20 5 GDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000594357647 652280456 /nfs/dbraw/zinc/28/04/56/652280456.db2.gz KCIOKDCHHNRTJZ-HNNXBMFYSA-N 1 0 384.230 1.544 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000594450747 652287635 /nfs/dbraw/zinc/28/76/35/652287635.db2.gz YMNZWKUFIOSSAR-IONNQARKSA-N 1 0 380.348 1.267 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595403450 652417376 /nfs/dbraw/zinc/41/73/76/652417376.db2.gz FOVTVBYGKAKUKY-LBPRGKRZSA-N 1 0 377.488 1.696 20 5 GDBDRO C[C@@]1(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595992389 652431937 /nfs/dbraw/zinc/43/19/37/652431937.db2.gz QERXOZXRGFLVMT-GFCCVEGCSA-N 1 0 375.166 1.681 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000597624807 652455097 /nfs/dbraw/zinc/45/50/97/652455097.db2.gz LOZMHUOUZUNKGH-GFCCVEGCSA-N 1 0 383.246 1.477 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599106666 652478265 /nfs/dbraw/zinc/47/82/65/652478265.db2.gz GJFLZSUZANBAEU-VHSXEESVSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000599106967 652478623 /nfs/dbraw/zinc/47/86/23/652478623.db2.gz KUZVGXYWUVJPMJ-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176756 652480062 /nfs/dbraw/zinc/48/00/62/652480062.db2.gz WSECIOQPNIKWRT-LLVKDONJSA-N 1 0 381.230 1.806 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599910588 652517947 /nfs/dbraw/zinc/51/79/47/652517947.db2.gz OMTJNIPANAYDTD-LLVKDONJSA-N 1 0 383.246 1.477 20 5 GDBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000705958756 654833778 /nfs/dbraw/zinc/83/37/78/654833778.db2.gz OAALOKBFIWNQFH-UHFFFAOYSA-N 1 0 393.181 1.165 20 5 GDBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000830435961 654945200 /nfs/dbraw/zinc/94/52/00/654945200.db2.gz VTJZOBPYXUWSJR-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000813730655 655243658 /nfs/dbraw/zinc/24/36/58/655243658.db2.gz TUIJPPVRYWMRGX-VIFPVBQESA-N 1 0 380.264 1.833 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815703682 655302512 /nfs/dbraw/zinc/30/25/12/655302512.db2.gz KSQINJFYNRCQCE-TVQRCGJNSA-N 1 0 397.229 1.458 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000841524386 655336910 /nfs/dbraw/zinc/33/69/10/655336910.db2.gz MEYWAGDBUUAPEO-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000841525012 655337159 /nfs/dbraw/zinc/33/71/59/655337159.db2.gz SLFUFQPYDVHWGY-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000842480340 655366905 /nfs/dbraw/zinc/36/69/05/655366905.db2.gz VAHWZIYRNPHDRG-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCCC[NH2+]C2CC2)ccc1Br ZINC000842481122 655367047 /nfs/dbraw/zinc/36/70/47/655367047.db2.gz CRNFXOCNTUBVLY-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCCO1 ZINC000842484360 655367819 /nfs/dbraw/zinc/36/78/19/655367819.db2.gz DIJBJYBNCCMHEW-VIFPVBQESA-N 1 0 394.247 1.096 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC000842485190 655368021 /nfs/dbraw/zinc/36/80/21/655368021.db2.gz PUPANBXFGCUUIB-SNVBAGLBSA-N 1 0 394.247 1.096 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842832672 655380188 /nfs/dbraw/zinc/38/01/88/655380188.db2.gz CUIIMRRZFVPNPD-GZMMTYOYSA-N 1 0 378.248 1.634 20 5 GDBDRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819339837 655390234 /nfs/dbraw/zinc/39/02/34/655390234.db2.gz UBOLPTNTLDCVCB-AWEZNQCLSA-N 1 0 382.214 1.842 20 5 GDBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843338592 655392932 /nfs/dbraw/zinc/39/29/32/655392932.db2.gz TXDGAXPGPJOPRQ-UHFFFAOYSA-N 1 0 389.225 1.474 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1=O ZINC000844761930 655414414 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378.429 1.472 20 5 GDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1N)CCC2 ZINC001164813835 720235184 /nfs/dbraw/zinc/23/51/84/720235184.db2.gz PWHAICCUVSRPOM-UHFFFAOYSA-N 1 0 387.444 1.379 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164829737 720335505 /nfs/dbraw/zinc/33/55/05/720335505.db2.gz NCYYOZVQNCERPN-DLBZAZTESA-N 1 0 388.472 1.484 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164744366 720613232 /nfs/dbraw/zinc/61/32/32/720613232.db2.gz RUKMKRQDGAKJQK-GHMZBOCLSA-N 1 0 377.792 1.170 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164744371 720613582 /nfs/dbraw/zinc/61/35/82/720613582.db2.gz RUKMKRQDGAKJQK-QWRGUYRKSA-N 1 0 377.792 1.170 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2c1 ZINC001164738628 720645460 /nfs/dbraw/zinc/64/54/60/720645460.db2.gz CGAGKSILIUOWBS-CABCVRRESA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741758 720810942 /nfs/dbraw/zinc/81/09/42/720810942.db2.gz BWIADELMOLYAGF-RYQLBKOJSA-N 1 0 383.456 1.961 20 5 GDBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741754 720811231 /nfs/dbraw/zinc/81/12/31/720811231.db2.gz BWIADELMOLYAGF-KBAYOESNSA-N 1 0 383.456 1.961 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)n1 ZINC001164884481 721405926 /nfs/dbraw/zinc/40/59/26/721405926.db2.gz DIUGVAAKFXWIJC-LPHOPBHVSA-N 1 0 390.488 1.459 20 5 GDBDRO O=C([O-])c1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000519823903 974335963 /nfs/dbraw/zinc/33/59/63/974335963.db2.gz MZGRUINZGQHPRP-UHFFFAOYSA-N 1 0 386.412 1.707 20 5 GDBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)N1CC[NH+](C)CC1 ZINC000180568294 530768045 /nfs/dbraw/zinc/76/80/45/530768045.db2.gz HOGHJBQZPXSODF-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000184685569 530830550 /nfs/dbraw/zinc/83/05/50/530830550.db2.gz AFYWRBCHPRCLAI-SNVBAGLBSA-N 1 0 399.245 1.672 20 5 GDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000124481669 530996020 /nfs/dbraw/zinc/99/60/20/530996020.db2.gz KABNHOALHHLSAO-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO O=C(NCC[NH2+]C1CC1)c1ccc([N+](=O)[O-])cc1I ZINC000237802903 531050194 /nfs/dbraw/zinc/05/01/94/531050194.db2.gz XQPAONMOMUOIAH-UHFFFAOYSA-N 1 0 375.166 1.681 20 5 GDBDRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000521406411 531246181 /nfs/dbraw/zinc/24/61/81/531246181.db2.gz BEAJMCVIWJHODK-UHFFFAOYSA-N 1 0 385.218 1.412 20 5 GDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000291232624 531280570 /nfs/dbraw/zinc/28/05/70/531280570.db2.gz ITMPXAUOIQIMBE-UHFFFAOYSA-N 1 0 399.245 1.896 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000525086350 531286146 /nfs/dbraw/zinc/28/61/46/531286146.db2.gz KSHKGRKARNXDGW-UHFFFAOYSA-N 1 0 391.877 1.980 20 5 GDBDRO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277869240 531316845 /nfs/dbraw/zinc/31/68/45/531316845.db2.gz NKYHWVPAORBZFA-GFCCVEGCSA-N 1 0 375.422 1.513 20 5 GDBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000440339904 531333879 /nfs/dbraw/zinc/33/38/79/531333879.db2.gz NDLOGYHHXZQLJE-VIFPVBQESA-N 1 0 378.248 1.648 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267115099 531398552 /nfs/dbraw/zinc/39/85/52/531398552.db2.gz BVVJCTBIRJHIDX-CQSZACIVSA-N 1 0 375.472 1.319 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC2CCC([NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415348809 531477797 /nfs/dbraw/zinc/47/77/97/531477797.db2.gz FUHDRPNKCRZRFH-UHFFFAOYSA-N 1 0 399.245 1.990 20 5 GDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000294471427 531480920 /nfs/dbraw/zinc/48/09/20/531480920.db2.gz AXIZTXMOTDIQEH-QMTHXVAHSA-N 1 0 386.246 1.884 20 5 GDBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415392877 531482545 /nfs/dbraw/zinc/48/25/45/531482545.db2.gz JWJFXEBMPDFBDC-SECBINFHSA-N 1 0 385.218 1.412 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488229540 531484457 /nfs/dbraw/zinc/48/44/57/531484457.db2.gz JTBVVQUIJRGVIW-OAHLLOKOSA-N 1 0 399.245 1.409 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000415436907 531485905 /nfs/dbraw/zinc/48/59/05/531485905.db2.gz KBSWKBZJWCPHQO-PRHODGIISA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCC2)cc(Br)cc1[N+](=O)[O-] ZINC000415556748 531494650 /nfs/dbraw/zinc/49/46/50/531494650.db2.gz HFDNDCNIYOADJO-UHFFFAOYSA-N 1 0 385.218 1.602 20 5 GDBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000490742500 531542379 /nfs/dbraw/zinc/54/23/79/531542379.db2.gz LLUHVYNZTOTPNP-NSHDSACASA-N 1 0 375.422 1.753 20 5 GDBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551765344 531547534 /nfs/dbraw/zinc/54/75/34/531547534.db2.gz GIGVQGRWOFITQC-GFCCVEGCSA-N 1 0 399.245 1.896 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415872370 531548736 /nfs/dbraw/zinc/54/87/36/531548736.db2.gz RWWMSYLJNTYRJI-NSHDSACASA-N 1 0 399.245 1.863 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415818605 531535971 /nfs/dbraw/zinc/53/59/71/531535971.db2.gz VEWSUQBVNMAJQF-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000281167730 531587496 /nfs/dbraw/zinc/58/74/96/531587496.db2.gz QCFIDYFMRXQVCF-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCCN(CCCO)C1 ZINC000451666503 531658519 /nfs/dbraw/zinc/65/85/19/531658519.db2.gz HEFICKZPRNUWLG-NSHDSACASA-N 1 0 377.850 1.373 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000591328823 531716910 /nfs/dbraw/zinc/71/69/10/531716910.db2.gz QDJPINBRBVHYMK-CABZTGNLSA-N 1 0 379.360 1.938 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000297102589 531758374 /nfs/dbraw/zinc/75/83/74/531758374.db2.gz XJYNGZBRWPOHOU-UHFFFAOYSA-N 1 0 386.246 1.852 20 5 GDBDRO CN1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000592983056 531814905 /nfs/dbraw/zinc/81/49/05/531814905.db2.gz VCLOQOGJVXIELX-SECBINFHSA-N 1 0 383.257 1.165 20 5 GDBDRO Cc1c(Br)cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594393482 531850848 /nfs/dbraw/zinc/85/08/48/531850848.db2.gz OPHHCQNJMMFCQM-NWDGAFQWSA-N 1 0 384.230 1.557 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367797161 531864687 /nfs/dbraw/zinc/86/46/87/531864687.db2.gz JGQAKMSOHNBPNL-ONGXEEELSA-N 1 0 390.259 1.730 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000270565062 531895196 /nfs/dbraw/zinc/89/51/96/531895196.db2.gz LQOCPOCOENNUIW-DGCLKSJQSA-N 1 0 375.472 1.270 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000271102342 531966587 /nfs/dbraw/zinc/96/65/87/531966587.db2.gz NROLRMNCPAYPGJ-OCCSQVGLSA-N 1 0 375.472 1.270 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000271103228 531966717 /nfs/dbraw/zinc/96/67/17/531966717.db2.gz OAWXOGDUSIPMNW-NEPJUHHUSA-N 1 0 379.891 1.914 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000271187223 531976369 /nfs/dbraw/zinc/97/63/69/531976369.db2.gz NIPDTMXMOHDEML-UHFFFAOYSA-N 1 0 399.289 1.953 20 5 GDBDRO CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000420452948 532016205 /nfs/dbraw/zinc/01/62/05/532016205.db2.gz SYABEKOUEAJWGI-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271540477 532024341 /nfs/dbraw/zinc/02/43/41/532024341.db2.gz DBHOAIYDTTYJKT-STQMWFEESA-N 1 0 377.463 1.708 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000397497758 532303023 /nfs/dbraw/zinc/30/30/23/532303023.db2.gz RZAWVDVPUCHRKW-UHFFFAOYSA-N 1 0 377.850 1.292 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000359956355 206273803 /nfs/dbraw/zinc/27/38/03/206273803.db2.gz DWDGJETXCMKZNP-QGZVFWFLSA-N 1 0 389.456 1.338 20 5 GDBDRO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000826182760 607466565 /nfs/dbraw/zinc/46/65/65/607466565.db2.gz SURYDTOTVSCZOF-CQSZACIVSA-N 1 0 396.411 1.865 20 5 GDBDRO CC[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000820926356 606482509 /nfs/dbraw/zinc/48/25/09/606482509.db2.gz RMKLQXAHMLNZTA-XHDPSFHLSA-N 1 0 383.416 1.754 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000823620015 606705344 /nfs/dbraw/zinc/70/53/44/606705344.db2.gz GLQPGTVGJYOYCL-UHFFFAOYSA-N 1 0 388.432 1.109 20 5 GDBDRO C[C@H]1C[NH+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000820758647 606719070 /nfs/dbraw/zinc/71/90/70/606719070.db2.gz AUFZDMSCSOQRFB-RYUDHWBXSA-N 1 0 376.421 1.471 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826501074 608464629 /nfs/dbraw/zinc/46/46/29/608464629.db2.gz YGPHJDGPLVSXPP-KRWDZBQOSA-N 1 0 396.411 1.122 20 5 GDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000824571087 609489312 /nfs/dbraw/zinc/48/93/12/609489312.db2.gz PSLFMNGKRONDBG-DOMZBBRYSA-N 1 0 384.396 1.865 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC000262783336 645139109 /nfs/dbraw/zinc/13/91/09/645139109.db2.gz LTZWAJRFRYDWEP-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262800446 645139456 /nfs/dbraw/zinc/13/94/56/645139456.db2.gz QQTGFVNMNMDFMZ-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262798954 645139528 /nfs/dbraw/zinc/13/95/28/645139528.db2.gz UXXAWHFMHSIXOD-WPRPVWTQSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000262805079 645140271 /nfs/dbraw/zinc/14/02/71/645140271.db2.gz WMMLOMJYSOXCAB-WCBMZHEXSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000420474073 645943719 /nfs/dbraw/zinc/94/37/19/645943719.db2.gz FBKLEQXDJGFEFU-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000452054033 647306748 /nfs/dbraw/zinc/30/67/48/647306748.db2.gz YVXSOTVMBHVDIG-UHFFFAOYSA-N 1 0 390.531 1.659 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000571459984 651077335 /nfs/dbraw/zinc/07/73/35/651077335.db2.gz HOOVAEFIUJDJRC-RKDXNWHRSA-N 1 0 378.248 1.858 20 5 GDBDRO O=[N+]([O-])c1cncc(I)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000572586760 651099750 /nfs/dbraw/zinc/09/97/50/651099750.db2.gz NLZZIMFLHUXMIG-VIFPVBQESA-N 1 0 388.209 1.913 20 5 GDBDRO COc1c(S(=O)(=O)N(C)CCC[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000573844300 651499372 /nfs/dbraw/zinc/49/93/72/651499372.db2.gz NNDZPNZBCLSVHF-UHFFFAOYSA-N 1 0 396.263 1.644 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000582487417 651999444 /nfs/dbraw/zinc/99/94/44/651999444.db2.gz TUTBKNZQDLOGBL-HTQZYQBOSA-N 1 0 396.263 1.688 20 5 GDBDRO COC[C@@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589315511 652111995 /nfs/dbraw/zinc/11/19/95/652111995.db2.gz XFAUSZPGMCKYMT-GFCCVEGCSA-N 1 0 380.182 1.686 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595403447 652417319 /nfs/dbraw/zinc/41/73/19/652417319.db2.gz FOVTVBYGKAKUKY-GFCCVEGCSA-N 1 0 377.488 1.696 20 5 GDBDRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599896701 652517279 /nfs/dbraw/zinc/51/72/79/652517279.db2.gz RCPQQUMPRPLALJ-WCBMZHEXSA-N 1 0 385.218 1.553 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Br)c(F)c2F)c1 ZINC000600762154 652552284 /nfs/dbraw/zinc/55/22/84/652552284.db2.gz OONPOLRGKBPPNZ-JTQLQIEISA-N 1 0 391.172 1.983 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000601159356 652564143 /nfs/dbraw/zinc/56/41/43/652564143.db2.gz JSPMNJFCRRWFNA-VXGBXAGGSA-N 1 0 378.166 1.439 20 5 GDBDRO C[NH+](C)[C@]1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCSC1 ZINC000748652489 654809217 /nfs/dbraw/zinc/80/92/17/654809217.db2.gz XXAOLGDSLIXOBP-ZDUSSCGKSA-N 1 0 379.891 1.964 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@@H]21 ZINC000832265656 655025212 /nfs/dbraw/zinc/02/52/12/655025212.db2.gz SEUXTPJRULVXGH-SKDRFNHKSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809831670 655140054 /nfs/dbraw/zinc/14/00/54/655140054.db2.gz ZHKQICGCUMMSTH-GFCCVEGCSA-N 1 0 384.241 1.247 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815035245 655281524 /nfs/dbraw/zinc/28/15/24/655281524.db2.gz JFNVRHBEYIGHAJ-UHFFFAOYSA-N 1 0 394.856 1.303 20 5 GDBDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597934 655300271 /nfs/dbraw/zinc/30/02/71/655300271.db2.gz JBMVYKTVNDUEBK-JQWIXIFHSA-N 1 0 385.467 1.724 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000841199926 655313531 /nfs/dbraw/zinc/31/35/31/655313531.db2.gz ICDIMGAMMNFYHC-ZJUUUORDSA-N 1 0 399.245 1.800 20 5 GDBDRO CC1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000841207727 655314247 /nfs/dbraw/zinc/31/42/47/655314247.db2.gz AIDFYMJETMNCFJ-UHFFFAOYSA-N 1 0 399.245 1.802 20 5 GDBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C1C[NH2+]C1 ZINC000841233785 655316107 /nfs/dbraw/zinc/31/61/07/655316107.db2.gz HGFIGQJTYPPCTO-UHFFFAOYSA-N 1 0 376.154 1.635 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@@H]1C[NH3+] ZINC000842486138 655368249 /nfs/dbraw/zinc/36/82/49/655368249.db2.gz STCLTLYBKUDBBT-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842869481 655381657 /nfs/dbraw/zinc/38/16/57/655381657.db2.gz LMNFTQKHMCMEOX-GFCCVEGCSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000843076183 655388022 /nfs/dbraw/zinc/38/80/22/655388022.db2.gz RNJCAVJFEQGNFU-SMDDNHRTSA-N 1 0 375.212 1.782 20 5 GDBDRO CCO[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H]1C[NH3+] ZINC000846694953 655458973 /nfs/dbraw/zinc/45/89/73/655458973.db2.gz FDMVPTCPEARZRK-PRHODGIISA-N 1 0 390.209 1.932 20 5 GDBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305867 655487086 /nfs/dbraw/zinc/48/70/86/655487086.db2.gz JELLMPSDNAWZSS-VHSXEESVSA-N 1 0 388.193 1.387 20 5 GDBDRO CC[NH+](CC)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000827740031 655515756 /nfs/dbraw/zinc/51/57/56/655515756.db2.gz UNFBKZGKCRFZLL-CQSZACIVSA-N 1 0 377.507 1.179 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cc1Br ZINC000850591870 655559599 /nfs/dbraw/zinc/55/95/99/655559599.db2.gz CRRBVGXTNRKFDF-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000858615067 655750450 /nfs/dbraw/zinc/75/04/50/655750450.db2.gz DNAHGXPMIZTSPH-ZDUSSCGKSA-N 1 0 392.275 1.976 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000858623087 655751033 /nfs/dbraw/zinc/75/10/33/655751033.db2.gz FGLGRHHXVBEPJU-DTWKUNHWSA-N 1 0 385.339 1.882 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923712487 656594032 /nfs/dbraw/zinc/59/40/32/656594032.db2.gz KLSFQGWRZRAIKR-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO C[C@]12C[NH+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@]1(C)C(=O)NC2=O ZINC000931382378 657095943 /nfs/dbraw/zinc/09/59/43/657095943.db2.gz JUJYRILNYXPPKX-HUUCEWRRSA-N 1 0 382.214 1.842 20 5 GDBDRO C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000900804330 659147764 /nfs/dbraw/zinc/14/77/64/659147764.db2.gz KLBBSICRJJOVFO-ABAIWWIYSA-N 1 0 399.289 1.650 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001164416491 718884861 /nfs/dbraw/zinc/88/48/61/718884861.db2.gz XJASZSQSZLMXEL-UHFFFAOYSA-N 1 0 399.789 1.879 20 5 GDBDRO CC(C)N(C)Cc1nn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684236 719613266 /nfs/dbraw/zinc/61/32/66/719613266.db2.gz NQFPRCBUDNGZFZ-UHFFFAOYSA-N 1 0 375.389 1.570 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164686307 719702183 /nfs/dbraw/zinc/70/21/83/719702183.db2.gz ZAEQXRMYELURFL-UHFFFAOYSA-N 1 0 384.440 1.719 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164686340 719714656 /nfs/dbraw/zinc/71/46/56/719714656.db2.gz ZYVPFMXRCLABMY-UHFFFAOYSA-N 1 0 384.440 1.719 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164682958 719716383 /nfs/dbraw/zinc/71/63/83/719716383.db2.gz HODLYVSDUSQMBE-UHFFFAOYSA-N 1 0 384.440 1.719 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813406 720219660 /nfs/dbraw/zinc/21/96/60/720219660.db2.gz LKXWNBHBFWMHOZ-UHFFFAOYSA-N 1 0 387.444 1.500 20 5 GDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N)c([N+](=O)[O-])cn1)CCC2 ZINC001164814741 720227205 /nfs/dbraw/zinc/22/72/05/720227205.db2.gz XPGWBSRFIAKWLM-UHFFFAOYSA-N 1 0 387.444 1.379 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001164726259 720519091 /nfs/dbraw/zinc/51/90/91/720519091.db2.gz BUBOULSGWRKOTA-ZDUSSCGKSA-N 1 0 388.428 1.561 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733294 720550851 /nfs/dbraw/zinc/55/08/51/720550851.db2.gz KNXLSUYOUZIXJW-UHFFFAOYSA-N 1 0 377.836 1.893 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2c1 ZINC001164738630 720643554 /nfs/dbraw/zinc/64/35/54/720643554.db2.gz CGAGKSILIUOWBS-GJZGRUSLSA-N 1 0 393.407 1.670 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC[C@@H]2C1 ZINC001164856096 720862856 /nfs/dbraw/zinc/86/28/56/720862856.db2.gz OTWCHCHCCFBMNV-CZUORRHYSA-N 1 0 375.429 1.645 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc([N+](=O)[O-])cc(Cl)n2)CC3)CC1 ZINC001164795794 721509037 /nfs/dbraw/zinc/50/90/37/721509037.db2.gz NFEHEHLPBVKUMV-UHFFFAOYSA-N 1 0 391.863 1.607 20 5 GDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824570222 946809076 /nfs/dbraw/zinc/80/90/76/946809076.db2.gz MEPVVPXJCFEJDQ-SWLSCSKDSA-N 1 0 384.396 1.865 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826501068 948416815 /nfs/dbraw/zinc/41/68/15/948416815.db2.gz YBPSUEDKJAGYEL-UHFFFAOYSA-N 1 0 397.443 1.226 20 5 GDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC001621247856 1126245889 /nfs/dbraw/zinc/24/58/89/1126245889.db2.gz OFGIBJZPAZXZGJ-OAHLLOKOSA-N 1 0 390.392 1.545 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158936793 530537461 /nfs/dbraw/zinc/53/74/61/530537461.db2.gz JPQNSEJFTOAVOX-LLVKDONJSA-N 1 0 377.850 1.373 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000158994919 530538121 /nfs/dbraw/zinc/53/81/21/530538121.db2.gz HVLCYAIGFBBKNI-UHFFFAOYSA-N 1 0 391.877 1.682 20 5 GDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@@H]1CC[NH2+]C1 ZINC000179123580 530735470 /nfs/dbraw/zinc/73/54/70/530735470.db2.gz SPVSKKRRUKOZIS-SECBINFHSA-N 1 0 375.166 1.633 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000184680995 530830881 /nfs/dbraw/zinc/83/08/81/530830881.db2.gz JLVNYKPHLVGTJY-JTQLQIEISA-N 1 0 399.245 1.815 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000106895269 530851714 /nfs/dbraw/zinc/85/17/14/530851714.db2.gz AHGYOCUTMJMFBO-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000108874245 530859885 /nfs/dbraw/zinc/85/98/85/530859885.db2.gz COBCXZVHPBJTIQ-JTQLQIEISA-N 1 0 378.248 1.682 20 5 GDBDRO C[N@@H+]1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000119942757 530933595 /nfs/dbraw/zinc/93/35/95/530933595.db2.gz HRLBGISLUIYKNE-UHFFFAOYSA-N 1 0 389.193 1.977 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000238090998 531054540 /nfs/dbraw/zinc/05/45/40/531054540.db2.gz BRHGOJIEXRRGMH-LLVKDONJSA-N 1 0 375.166 1.667 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(I)cc1[N+](=O)[O-] ZINC000132966531 531085369 /nfs/dbraw/zinc/08/53/69/531085369.db2.gz SCELWVXIMSASMS-GFCCVEGCSA-N 1 0 379.198 1.924 20 5 GDBDRO CO[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261725595 531097081 /nfs/dbraw/zinc/09/70/81/531097081.db2.gz RDGIDJSSBRMSMN-WDEREUQCSA-N 1 0 377.850 1.683 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000262875006 531133972 /nfs/dbraw/zinc/13/39/72/531133972.db2.gz VIGHZXHKDLNIJO-PELKAZGASA-N 1 0 389.193 1.927 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154348111 531182338 /nfs/dbraw/zinc/18/23/38/531182338.db2.gz HOTOIICOULUSFB-CYBMUJFWSA-N 1 0 390.259 1.731 20 5 GDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000440342513 531333866 /nfs/dbraw/zinc/33/38/66/531333866.db2.gz NYNIRWZEKPZURF-VIFPVBQESA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440839582 531347451 /nfs/dbraw/zinc/34/74/51/531347451.db2.gz CKBGKFDYUGWJTN-GZMMTYOYSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440807668 531345048 /nfs/dbraw/zinc/34/50/48/531345048.db2.gz WBAPZNFGKKEJIV-QPUJVOFHSA-N 1 0 378.248 1.776 20 5 GDBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292731447 531373982 /nfs/dbraw/zinc/37/39/82/531373982.db2.gz GHENNFLMHSSGTC-LBPRGKRZSA-N 1 0 379.385 1.662 20 5 GDBDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCSC1 ZINC000267264717 531416098 /nfs/dbraw/zinc/41/60/98/531416098.db2.gz DEWWIDYTOYGMTA-OAHLLOKOSA-N 1 0 386.861 1.740 20 5 GDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267947276 531463002 /nfs/dbraw/zinc/46/30/02/531463002.db2.gz VCOOGPWGNKCUPA-SNVBAGLBSA-N 1 0 390.209 1.947 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415568125 531497622 /nfs/dbraw/zinc/49/76/22/531497622.db2.gz KBHOJDGAEDKLGB-NXEZZACHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415623493 531505273 /nfs/dbraw/zinc/50/52/73/531505273.db2.gz ZVENHDKMKMSCTI-QPUJVOFHSA-N 1 0 385.218 1.410 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415639914 531507275 /nfs/dbraw/zinc/50/72/75/531507275.db2.gz DEQGUFYGZWFDLX-MNOVXSKESA-N 1 0 399.245 1.990 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415835915 531540240 /nfs/dbraw/zinc/54/02/40/531540240.db2.gz PLNCONJWKYHJRW-PSASIEDQSA-N 1 0 385.218 1.539 20 5 GDBDRO CN1CCC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1=O ZINC000558486237 531564320 /nfs/dbraw/zinc/56/43/20/531564320.db2.gz SWBRJEWPSIDCRF-GFCCVEGCSA-N 1 0 389.193 1.910 20 5 GDBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000583574994 531585175 /nfs/dbraw/zinc/58/51/75/531585175.db2.gz OXTFRTFSEVZTLY-VIFPVBQESA-N 1 0 387.234 1.153 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000281211418 531592705 /nfs/dbraw/zinc/59/27/05/531592705.db2.gz SLPFATQSYQYCIC-NSHDSACASA-N 1 0 399.245 1.815 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281507245 531626078 /nfs/dbraw/zinc/62/60/78/531626078.db2.gz LFMMVBPKOYNQJN-UHFFFAOYSA-N 1 0 375.422 1.849 20 5 GDBDRO O=C(NCC[NH+]1CCCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000560168699 531628197 /nfs/dbraw/zinc/62/81/97/531628197.db2.gz SURMJFBJOZSADX-UHFFFAOYSA-N 1 0 399.245 1.898 20 5 GDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000416506302 531654823 /nfs/dbraw/zinc/65/48/23/531654823.db2.gz FYWWBLZKTDGRHM-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416553419 531675196 /nfs/dbraw/zinc/67/51/96/531675196.db2.gz IRLNTSLTNXHUAZ-NSHDSACASA-N 1 0 375.422 1.753 20 5 GDBDRO C[C@@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000451905998 531711342 /nfs/dbraw/zinc/71/13/42/531711342.db2.gz ICRGILKLFVDCIK-GJZGRUSLSA-N 1 0 389.239 1.956 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000619493859 531708927 /nfs/dbraw/zinc/70/89/27/531708927.db2.gz CFPJTTMMLXWYPH-VXGBXAGGSA-N 1 0 375.472 1.270 20 5 GDBDRO CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595152341 531868391 /nfs/dbraw/zinc/86/83/91/531868391.db2.gz NTGBLIWXSCKARL-UHFFFAOYSA-N 1 0 385.218 1.316 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 ZINC000418914928 531861914 /nfs/dbraw/zinc/86/19/14/531861914.db2.gz PBEFVUZAPSRGLD-VIFPVBQESA-N 1 0 376.198 1.982 20 5 GDBDRO Cc1c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000595240134 531871880 /nfs/dbraw/zinc/87/18/80/531871880.db2.gz OWAUVEKBMWZGKI-UHFFFAOYSA-N 1 0 387.234 1.800 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(C(F)(F)F)c1 ZINC000370104179 531982213 /nfs/dbraw/zinc/98/22/13/531982213.db2.gz SNURANNDFHHAIA-BXKDBHETSA-N 1 0 379.360 1.986 20 5 GDBDRO CC1(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420449169 532014017 /nfs/dbraw/zinc/01/40/17/532014017.db2.gz MTXZQDYROAXWSO-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462493519 532050335 /nfs/dbraw/zinc/05/03/35/532050335.db2.gz UHBWWRAXNGPLPH-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO CNC(=O)CN1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602507704 532078479 /nfs/dbraw/zinc/07/84/79/532078479.db2.gz GYGJAWSEQLHZNC-UHFFFAOYSA-N 1 0 391.291 1.719 20 5 GDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000285405017 532079777 /nfs/dbraw/zinc/07/97/77/532079777.db2.gz YAJQIKZWYXJKFD-KGLIPLIRSA-N 1 0 384.230 1.902 20 5 GDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000285716898 532108246 /nfs/dbraw/zinc/10/82/46/532108246.db2.gz JPFKDGRQHVJYRN-KGLIPLIRSA-N 1 0 384.230 1.902 20 5 GDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285723528 532108378 /nfs/dbraw/zinc/10/83/78/532108378.db2.gz KADOWBFFMWQJJK-ZIAGYGMSSA-N 1 0 384.230 1.902 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370219 598503338 /nfs/dbraw/zinc/50/33/38/598503338.db2.gz RPCPGVDCCUBRGZ-MRXNPFEDSA-N 1 0 396.411 1.026 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000823620040 606700144 /nfs/dbraw/zinc/70/01/44/606700144.db2.gz HFZRLFXQOFDMOP-UHFFFAOYSA-N 1 0 381.400 1.641 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825934338 608034561 /nfs/dbraw/zinc/03/45/61/608034561.db2.gz NIAMOHYSCYWBJX-UHFFFAOYSA-N 1 0 391.823 1.798 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000825935073 608037172 /nfs/dbraw/zinc/03/71/72/608037172.db2.gz UGMMPZQNPOVFFQ-UHFFFAOYSA-N 1 0 375.368 1.284 20 5 GDBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994585 608151115 /nfs/dbraw/zinc/15/11/15/608151115.db2.gz VRXHPGLEAVXMFZ-BBRMVZONSA-N 1 0 386.460 1.237 20 5 GDBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824572416 608470171 /nfs/dbraw/zinc/47/01/71/608470171.db2.gz UXALNXUZAUUTJW-MLGOLLRUSA-N 1 0 384.396 1.865 20 5 GDBDRO CN(CC[NH+](C)C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000535023453 650238295 /nfs/dbraw/zinc/23/82/95/650238295.db2.gz XSRNRHNHJFDSOH-UHFFFAOYSA-N 1 0 377.182 1.833 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000541948368 650396112 /nfs/dbraw/zinc/39/61/12/650396112.db2.gz HAYDNHLGFHPYPH-DOMZBBRYSA-N 1 0 399.245 1.628 20 5 GDBDRO C[C@@H]1CSC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000553673649 650653556 /nfs/dbraw/zinc/65/35/56/650653556.db2.gz FSMPMJFIQQYKNK-BXUZGUMPSA-N 1 0 388.515 1.598 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)cc1Br ZINC000123407661 644696264 /nfs/dbraw/zinc/69/62/64/644696264.db2.gz NDEXWQUOXHCPLW-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000125179949 644712715 /nfs/dbraw/zinc/71/27/15/644712715.db2.gz GOJAYEGGNXOXLA-DTWKUNHWSA-N 1 0 378.248 1.906 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173150289 644889068 /nfs/dbraw/zinc/88/90/68/644889068.db2.gz FUJFITLLJGEDHB-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262751496 645137060 /nfs/dbraw/zinc/13/70/60/645137060.db2.gz NQUIUBKJTHBPLS-UHFFFAOYSA-N 1 0 380.264 1.963 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000569605459 651006510 /nfs/dbraw/zinc/00/65/10/651006510.db2.gz JCUXXCMFDAMORB-ZJUUUORDSA-N 1 0 390.259 1.587 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000420474645 645944172 /nfs/dbraw/zinc/94/41/72/645944172.db2.gz YCFPJWRYZJTQTH-SNVBAGLBSA-N 1 0 394.247 1.096 20 5 GDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000421292720 646001444 /nfs/dbraw/zinc/00/14/44/646001444.db2.gz BJOXFCHWNAIQKD-LBPRGKRZSA-N 1 0 399.245 1.848 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000592374748 652184446 /nfs/dbraw/zinc/18/44/46/652184446.db2.gz QDMHMGWLCGKBCF-PRHODGIISA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000592381567 652185795 /nfs/dbraw/zinc/18/57/95/652185795.db2.gz WAIZDWMOLBGGRM-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c(Br)cc1[N+](=O)[O-] ZINC000593486417 652213994 /nfs/dbraw/zinc/21/39/94/652213994.db2.gz WRDCRFXKQBVBHF-UHFFFAOYSA-N 1 0 385.262 1.876 20 5 GDBDRO O=C(CN1CC[C@@H]2OCC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000593728478 652244304 /nfs/dbraw/zinc/24/43/04/652244304.db2.gz LQPLNHGHJURWKN-KBPBESRZSA-N 1 0 399.245 1.359 20 5 GDBDRO CCO[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000593916718 652261729 /nfs/dbraw/zinc/26/17/29/652261729.db2.gz NYFXEOOTDURVPQ-BXUZGUMPSA-N 1 0 386.246 1.722 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594803010 652367778 /nfs/dbraw/zinc/36/77/78/652367778.db2.gz IAUMTKDAARNKRO-LBPRGKRZSA-N 1 0 392.909 1.799 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599107175 652478511 /nfs/dbraw/zinc/47/85/11/652478511.db2.gz JMKYXTVRSBUEHX-UHFFFAOYSA-N 1 0 386.257 1.758 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599381496 652487863 /nfs/dbraw/zinc/48/78/63/652487863.db2.gz KXZRUEDPNSTWHT-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599896700 652517216 /nfs/dbraw/zinc/51/72/16/652517216.db2.gz RCPQQUMPRPLALJ-SCZZXKLOSA-N 1 0 385.218 1.553 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601376469 652572609 /nfs/dbraw/zinc/57/26/09/652572609.db2.gz HNDNVPILDCQJAW-FRRDWIJNSA-N 1 0 389.499 1.837 20 5 GDBDRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810355330 655156249 /nfs/dbraw/zinc/15/62/49/655156249.db2.gz YYPCMWHZAPRILT-JTQLQIEISA-N 1 0 385.218 1.506 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000815703680 655302716 /nfs/dbraw/zinc/30/27/16/655302716.db2.gz KSQINJFYNRCQCE-NOZJJQNGSA-N 1 0 397.229 1.458 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000841150603 655310565 /nfs/dbraw/zinc/31/05/65/655310565.db2.gz VODSOUFTJMSESN-UHFFFAOYSA-N 1 0 399.245 1.802 20 5 GDBDRO C[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000841160966 655311173 /nfs/dbraw/zinc/31/11/73/655311173.db2.gz KABJKAMOMQRNPW-VHSXEESVSA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000841173567 655312200 /nfs/dbraw/zinc/31/22/00/655312200.db2.gz PGZHUZSBWNRXOS-SECBINFHSA-N 1 0 385.218 1.425 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000841269230 655318320 /nfs/dbraw/zinc/31/83/20/655318320.db2.gz PLLMUJJXZNOZLW-GFCCVEGCSA-N 1 0 399.245 1.930 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000842481160 655367057 /nfs/dbraw/zinc/36/70/57/655367057.db2.gz FQQJPGJFLPQCFU-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000842485927 655368294 /nfs/dbraw/zinc/36/82/94/655368294.db2.gz VMJAOBFKDYZQQV-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000842719906 655373415 /nfs/dbraw/zinc/37/34/15/655373415.db2.gz NUEPQNNQQCPKGE-GZMMTYOYSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842789366 655377148 /nfs/dbraw/zinc/37/71/48/655377148.db2.gz UCJNNGKAUVKGNW-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842792770 655377400 /nfs/dbraw/zinc/37/74/00/655377400.db2.gz FJTHXEKOCHXYCF-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)cc1Br ZINC000842831124 655380159 /nfs/dbraw/zinc/38/01/59/655380159.db2.gz PXNMBVWMZOCMOF-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1=O ZINC000844764513 655414626 /nfs/dbraw/zinc/41/46/26/655414626.db2.gz IGVNGTVAWYIIKQ-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000857192815 655730401 /nfs/dbraw/zinc/73/04/01/655730401.db2.gz HOMQBBDSMWEFBR-HNNXBMFYSA-N 1 0 386.246 1.886 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000858631615 655751452 /nfs/dbraw/zinc/75/14/52/655751452.db2.gz GPPJWSQIVQXPBO-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000861516101 655824284 /nfs/dbraw/zinc/82/42/84/655824284.db2.gz YNOJXTANIAZMLE-WDEREUQCSA-N 1 0 399.245 1.861 20 5 GDBDRO C[C@]1([NH3+])CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000868077908 656139874 /nfs/dbraw/zinc/13/98/74/656139874.db2.gz HMMAEFBKBWTXES-LBPRGKRZSA-N 1 0 375.166 1.763 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106561 656653768 /nfs/dbraw/zinc/65/37/68/656653768.db2.gz SOHPLAALPGUWJK-ZETCQYMHSA-N 1 0 377.182 1.927 20 5 GDBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000885882881 657583198 /nfs/dbraw/zinc/58/31/98/657583198.db2.gz LTGPGBLHQASZDR-NSHDSACASA-N 1 0 399.245 1.735 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001164616996 719028770 /nfs/dbraw/zinc/02/87/70/719028770.db2.gz HNBOYSWJVZNZRQ-UHFFFAOYSA-N 1 0 377.445 1.816 20 5 GDBDRO COC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001164682552 719615975 /nfs/dbraw/zinc/61/59/75/719615975.db2.gz DUQMCPFHDYLVDR-UHFFFAOYSA-N 1 0 388.428 1.448 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738283 720614294 /nfs/dbraw/zinc/61/42/94/720614294.db2.gz BNTMVAHSPJILDW-QWHCGFSZSA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736754 720674413 /nfs/dbraw/zinc/67/44/13/720674413.db2.gz AZINRIOSNNXBPT-STQMWFEESA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164738172 720723831 /nfs/dbraw/zinc/72/38/31/720723831.db2.gz DWSBFNCNIBMBRK-STQMWFEESA-N 1 0 381.396 1.603 20 5 GDBDRO COc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164866131 721080930 /nfs/dbraw/zinc/08/09/30/721080930.db2.gz RJHCFLKZWRLWDF-NVXWUHKLSA-N 1 0 385.424 1.873 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864755 721110160 /nfs/dbraw/zinc/11/01/60/721110160.db2.gz GQKATKPQEZGOEC-DLBZAZTESA-N 1 0 385.424 1.411 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])ccn4)C3)O2)CC1 ZINC001164894570 721382716 /nfs/dbraw/zinc/38/27/16/721382716.db2.gz ZBSDDQJLPCHYSQ-IEBWSBKVSA-N 1 0 375.473 1.755 20 5 GDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823639712 946459988 /nfs/dbraw/zinc/45/99/88/946459988.db2.gz FYXNXJHKTCLTNA-IAGOWNOFSA-N 1 0 387.444 1.955 20 5 GDBDRO Cc1cc(NCCNc2ccc(-c3nn[nH]n3)cn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826271328 947788013 /nfs/dbraw/zinc/78/80/13/947788013.db2.gz NGMNXFZPFLSCQU-UHFFFAOYSA-N 1 0 391.395 1.972 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000173766169 530636653 /nfs/dbraw/zinc/63/66/53/530636653.db2.gz LGODPTOEBGMKKS-SECBINFHSA-N 1 0 376.257 1.969 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000186260342 530854227 /nfs/dbraw/zinc/85/42/27/530854227.db2.gz KZGXOWKPSGZEBV-UHFFFAOYSA-N 1 0 375.422 1.897 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121609069 530958519 /nfs/dbraw/zinc/95/85/19/530958519.db2.gz OKPIXJJXWUSBBZ-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000192916120 530975692 /nfs/dbraw/zinc/97/56/92/530975692.db2.gz IPVIJTFAYOGCDM-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000125057145 531002247 /nfs/dbraw/zinc/00/22/47/531002247.db2.gz ZJDVPGRCQHSFAC-GZMMTYOYSA-N 1 0 383.348 1.350 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237634615 531048629 /nfs/dbraw/zinc/04/86/29/531048629.db2.gz IYEDLIMJNPSLEB-WCBMZHEXSA-N 1 0 378.248 1.858 20 5 GDBDRO [NH3+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000261961992 531103806 /nfs/dbraw/zinc/10/38/06/531103806.db2.gz SBRFZDMHQRDALO-LLVKDONJSA-N 1 0 375.166 1.667 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000447246244 531422279 /nfs/dbraw/zinc/42/22/79/531422279.db2.gz HAYXIMJNZQCDBQ-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO CCN1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000449523055 531471678 /nfs/dbraw/zinc/47/16/78/531471678.db2.gz XOAPCWAWZNZJLI-NSHDSACASA-N 1 0 389.193 1.910 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415374026 531480846 /nfs/dbraw/zinc/48/08/46/531480846.db2.gz IJDDISHTAASBQJ-JTQLQIEISA-N 1 0 385.218 1.472 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415455698 531487881 /nfs/dbraw/zinc/48/78/81/531487881.db2.gz PSFKMRSYSBAQCG-LLVKDONJSA-N 1 0 385.218 1.458 20 5 GDBDRO C[C@]1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000415573914 531496874 /nfs/dbraw/zinc/49/68/74/531496874.db2.gz QOVYGACXMWIPMZ-HNNXBMFYSA-N 1 0 399.245 1.802 20 5 GDBDRO CC(C)SCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000557753509 531520044 /nfs/dbraw/zinc/52/00/44/531520044.db2.gz ZCRASUYZRIJBEV-UHFFFAOYSA-N 1 0 390.531 1.988 20 5 GDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000295525543 531591818 /nfs/dbraw/zinc/59/18/18/531591818.db2.gz QWWLSPBVTDPTSI-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000583811761 531596014 /nfs/dbraw/zinc/59/60/14/531596014.db2.gz VQQVJEPANZHVMD-IAZYJMLFSA-N 1 0 387.177 1.455 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269488965 531679334 /nfs/dbraw/zinc/67/93/34/531679334.db2.gz RWCRSIKYWOJJNV-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 ZINC000591680956 531734684 /nfs/dbraw/zinc/73/46/84/531734684.db2.gz LRTGVDXYQYJXIE-VIFPVBQESA-N 1 0 389.193 1.942 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366309657 531736237 /nfs/dbraw/zinc/73/62/37/531736237.db2.gz OJJAYGHCQLHZPO-ONGXEEELSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393407 531851209 /nfs/dbraw/zinc/85/12/09/531851209.db2.gz MGLZCVFAHSDBSI-QWHCGFSZSA-N 1 0 384.230 1.177 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000570091378 531933006 /nfs/dbraw/zinc/93/30/06/531933006.db2.gz IWCCFASTGYYADP-BDAKNGLRSA-N 1 0 376.385 1.360 20 5 GDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598725413 531993320 /nfs/dbraw/zinc/99/33/20/531993320.db2.gz OTDLHMBPLMMMIP-RNCFNFMXSA-N 1 0 390.259 1.859 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000420454668 532017000 /nfs/dbraw/zinc/01/70/00/532017000.db2.gz WNEKPVZBKUFPSV-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000322172228 532070304 /nfs/dbraw/zinc/07/03/04/532070304.db2.gz NMTJNGWZCFZMMD-WDEREUQCSA-N 1 0 384.230 1.950 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000272235179 532086362 /nfs/dbraw/zinc/08/63/62/532086362.db2.gz MRGSQBOZCVSIOR-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)N1 ZINC000273794226 532171107 /nfs/dbraw/zinc/17/11/07/532171107.db2.gz VVOGHLSFCRPUOF-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000428038477 532196755 /nfs/dbraw/zinc/19/67/55/532196755.db2.gz OBRMQCCGSIXDBS-GWCFXTLKSA-N 1 0 383.246 1.980 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376679712 532224217 /nfs/dbraw/zinc/22/42/17/532224217.db2.gz KQOMSUDUAURQIK-GXSJLCMTSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376679713 532224260 /nfs/dbraw/zinc/22/42/60/532224260.db2.gz KQOMSUDUAURQIK-KOLCDFICSA-N 1 0 390.259 1.730 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000275051433 532257710 /nfs/dbraw/zinc/25/77/10/532257710.db2.gz HRVHMTZZTAEKDS-CQSZACIVSA-N 1 0 393.462 1.458 20 5 GDBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000288622587 532299718 /nfs/dbraw/zinc/29/97/18/532299718.db2.gz MPLYECYNQUINJM-UHFFFAOYSA-N 1 0 376.454 1.238 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[N@@H+](CCO)CCCO)c1 ZINC000289894447 532333687 /nfs/dbraw/zinc/33/36/87/532333687.db2.gz MPFYJLXLJOCVEI-UHFFFAOYSA-N 1 0 380.182 1.376 20 5 GDBDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290043269 532335697 /nfs/dbraw/zinc/33/56/97/532335697.db2.gz CUVLFRSBMPCQBM-RYUDHWBXSA-N 1 0 378.166 1.703 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH3+] ZINC000571282861 651071248 /nfs/dbraw/zinc/07/12/48/651071248.db2.gz UFCRGLQOUNRSSL-ZETCQYMHSA-N 1 0 377.182 1.975 20 5 GDBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000737201965 598819304 /nfs/dbraw/zinc/81/93/04/598819304.db2.gz LHIKWMQNZRMYDQ-UHFFFAOYSA-N 1 0 399.415 1.010 20 5 GDBDRO COCC[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821691090 599467435 /nfs/dbraw/zinc/46/74/35/599467435.db2.gz IEKWJTVLTXZQPK-UHFFFAOYSA-N 1 0 384.400 1.092 20 5 GDBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821584604 606402794 /nfs/dbraw/zinc/40/27/94/606402794.db2.gz KWUATMAOMMUJDK-UHFFFAOYSA-N 1 0 376.421 1.107 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826501075 608464417 /nfs/dbraw/zinc/46/44/17/608464417.db2.gz YGPHJDGPLVSXPP-QGZVFWFLSA-N 1 0 396.411 1.122 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826497799 609387987 /nfs/dbraw/zinc/38/79/87/609387987.db2.gz VHPXOYJOHOUTIU-INIZCTEOSA-N 1 0 395.423 1.954 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000536686978 650277624 /nfs/dbraw/zinc/27/76/24/650277624.db2.gz QYVOCXKWZCBMOI-GFCCVEGCSA-N 1 0 391.515 1.997 20 5 GDBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551469061 650607047 /nfs/dbraw/zinc/60/70/47/650607047.db2.gz BTTLONSHATYFJJ-UHFFFAOYSA-N 1 0 387.234 1.706 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193411665 645050945 /nfs/dbraw/zinc/05/09/45/645050945.db2.gz MNYGHXFCRKMLTI-WCBMZHEXSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262800449 645139387 /nfs/dbraw/zinc/13/93/87/645139387.db2.gz QQTGFVNMNMDFMZ-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000569605457 651006483 /nfs/dbraw/zinc/00/64/83/651006483.db2.gz JCUXXCMFDAMORB-UWVGGRQHSA-N 1 0 390.259 1.587 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000368632102 645621975 /nfs/dbraw/zinc/62/19/75/645621975.db2.gz KBCZOJNOMUHANV-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000516926888 648543999 /nfs/dbraw/zinc/54/39/99/648543999.db2.gz NIYOFDHBJFXLKW-DOMZBBRYSA-N 1 0 389.861 1.765 20 5 GDBDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000585758580 652086296 /nfs/dbraw/zinc/08/62/96/652086296.db2.gz QBGBGEUKICYHLE-UHFFFAOYSA-N 1 0 385.218 1.508 20 5 GDBDRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000591292185 652158816 /nfs/dbraw/zinc/15/88/16/652158816.db2.gz FQCXXFALNVLOBW-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000591732490 652164575 /nfs/dbraw/zinc/16/45/75/652164575.db2.gz CKJWPOISJMHWQG-LBPRGKRZSA-N 1 0 385.218 1.713 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000592374750 652184511 /nfs/dbraw/zinc/18/45/11/652184511.db2.gz QDMHMGWLCGKBCF-QPUJVOFHSA-N 1 0 394.247 1.094 20 5 GDBDRO CO[C@@](C)(CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594509474 652309603 /nfs/dbraw/zinc/30/96/03/652309603.db2.gz ITJBAHKKMBSILM-GFCCVEGCSA-N 1 0 380.182 1.686 20 5 GDBDRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000594919584 652387146 /nfs/dbraw/zinc/38/71/46/652387146.db2.gz BQKBPGQMZUZSPO-UHFFFAOYSA-N 1 0 385.467 1.871 20 5 GDBDRO CN(C)C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599304350 652483076 /nfs/dbraw/zinc/48/30/76/652483076.db2.gz RAUVAPRHBXCYNF-LBPRGKRZSA-N 1 0 387.849 1.563 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599896277 652517298 /nfs/dbraw/zinc/51/72/98/652517298.db2.gz PAGFUHYITUJNLJ-GZMMTYOYSA-N 1 0 399.245 1.861 20 5 GDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977029 652520430 /nfs/dbraw/zinc/52/04/30/652520430.db2.gz GMRNKGUBIHVHFW-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601357185 652569958 /nfs/dbraw/zinc/56/99/58/652569958.db2.gz NNWMHGMCLQUHJC-GFCCVEGCSA-N 1 0 390.531 1.517 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601470006 652585857 /nfs/dbraw/zinc/58/58/57/652585857.db2.gz XSERSXXQYIDFMQ-GFCCVEGCSA-N 1 0 377.488 1.696 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1I)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593524 652642434 /nfs/dbraw/zinc/64/24/34/652642434.db2.gz ZIQYEGVYLJWQMR-DTORHVGOSA-N 1 0 387.177 1.776 20 5 GDBDRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000832679310 655044497 /nfs/dbraw/zinc/04/44/97/655044497.db2.gz DIEAVDJDRDXHBY-UHFFFAOYSA-N 1 0 376.504 1.351 20 5 GDBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000792993696 655105068 /nfs/dbraw/zinc/10/50/68/655105068.db2.gz AJZADTHVICJUIV-SNVBAGLBSA-N 1 0 399.245 1.896 20 5 GDBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810366094 655156918 /nfs/dbraw/zinc/15/69/18/655156918.db2.gz GFHKJNNLNOXXDB-UHFFFAOYSA-N 1 0 387.234 1.752 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000815019424 655278798 /nfs/dbraw/zinc/27/87/98/655278798.db2.gz HKVTVELMSIOGJB-JTQLQIEISA-N 1 0 394.856 1.302 20 5 GDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841159204 655311190 /nfs/dbraw/zinc/31/11/90/655311190.db2.gz YCUMLEVQSDIUGJ-VIFPVBQESA-N 1 0 385.218 1.493 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000841190037 655312926 /nfs/dbraw/zinc/31/29/26/655312926.db2.gz LQUSHXYVBQIJBQ-JTQLQIEISA-N 1 0 399.245 1.815 20 5 GDBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000841198242 655313521 /nfs/dbraw/zinc/31/35/21/655313521.db2.gz OJBSOKFQWYKXHP-UHFFFAOYSA-N 1 0 387.234 1.720 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000841251540 655317482 /nfs/dbraw/zinc/31/74/82/655317482.db2.gz OMNNXUWAEJFSKY-VIFPVBQESA-N 1 0 387.234 1.848 20 5 GDBDRO [NH3+]CC1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000842686173 655371164 /nfs/dbraw/zinc/37/11/64/655371164.db2.gz KMNJVRCPAXIBGN-UHFFFAOYSA-N 1 0 378.248 1.717 20 5 GDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842696430 655371673 /nfs/dbraw/zinc/37/16/73/655371673.db2.gz ZJMLKBYSCDNNOK-SECBINFHSA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000842743120 655374711 /nfs/dbraw/zinc/37/47/11/655374711.db2.gz BZWBJXSUIICFCL-LDYMZIIASA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842837143 655380580 /nfs/dbraw/zinc/38/05/80/655380580.db2.gz KKYHILGXSMCMJG-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000842894959 655383335 /nfs/dbraw/zinc/38/33/35/655383335.db2.gz KKVBWUGCMOYQOK-LLVKDONJSA-N 1 0 389.861 1.624 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)[NH+](C)C ZINC000849428361 655533543 /nfs/dbraw/zinc/53/35/43/655533543.db2.gz AFLXNNVOZKJHTC-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850857993 655570334 /nfs/dbraw/zinc/57/03/34/655570334.db2.gz NXJDESDOCRMSTN-LLVKDONJSA-N 1 0 387.234 1.785 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866828194 655967781 /nfs/dbraw/zinc/96/77/81/655967781.db2.gz VQDUXAWFQOFQGM-MNOVXSKESA-N 1 0 390.259 1.872 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000923714461 656594461 /nfs/dbraw/zinc/59/44/61/656594461.db2.gz ZGDQOYVFMZYWEJ-VHSXEESVSA-N 1 0 379.360 1.844 20 5 GDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[N@@H+]2CCN1CCC2 ZINC000881864361 656975571 /nfs/dbraw/zinc/97/55/71/656975571.db2.gz PHMBNNUFOAFMFF-CQSZACIVSA-N 1 0 383.246 1.363 20 5 GDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000932830286 657226447 /nfs/dbraw/zinc/22/64/47/657226447.db2.gz ATJYFQSFTIIEKI-NSHDSACASA-N 1 0 398.257 1.820 20 5 GDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164733482 720533168 /nfs/dbraw/zinc/53/31/68/720533168.db2.gz CMQJHCNEBLXIHG-CYBMUJFWSA-N 1 0 388.432 1.046 20 5 GDBDRO CCOc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164738207 720737712 /nfs/dbraw/zinc/73/77/12/720737712.db2.gz FCJXROBGPVCVRH-ZIAGYGMSSA-N 1 0 386.412 1.520 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164853846 720833564 /nfs/dbraw/zinc/83/35/64/720833564.db2.gz PSJKPZGJHXWAOF-STQMWFEESA-N 1 0 385.852 1.520 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164857111 720850974 /nfs/dbraw/zinc/85/09/74/720850974.db2.gz XMFCUFCLGLMFPO-KDOFPFPSSA-N 1 0 387.440 1.712 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892302 721431426 /nfs/dbraw/zinc/43/14/26/721431426.db2.gz IBYWMZBFZGUIRE-LPHOPBHVSA-N 1 0 390.488 1.337 20 5 GDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc([N+](=O)[O-])cc1F)CCC2 ZINC001165000883 722252636 /nfs/dbraw/zinc/25/26/36/722252636.db2.gz VZIYUVBUNZLYOX-UHFFFAOYSA-N 1 0 378.408 1.814 20 5 GDBDRO C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(OCC(=O)[O-])c([N+](=O)[O-])c3)C2)CC1 ZINC001598586131 993386006 /nfs/dbraw/zinc/38/60/06/993386006.db2.gz PDCGHBMJDXWZGK-OAHLLOKOSA-N 1 0 392.456 1.316 20 5 GDBDRO COC(=O)COc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474348182 1126094761 /nfs/dbraw/zinc/09/47/61/1126094761.db2.gz UJGDWFVMJXKPPJ-UHFFFAOYSA-N 1 0 386.404 1.766 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158948316 530537551 /nfs/dbraw/zinc/53/75/51/530537551.db2.gz BPGRWTMSJVPLCU-GFCCVEGCSA-N 1 0 377.850 1.373 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158936657 530537859 /nfs/dbraw/zinc/53/78/59/530537859.db2.gz JPQNSEJFTOAVOX-NSHDSACASA-N 1 0 377.850 1.373 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176695374 530688252 /nfs/dbraw/zinc/68/82/52/530688252.db2.gz VVIJPIUTHCTRQT-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000178941149 530731474 /nfs/dbraw/zinc/73/14/74/530731474.db2.gz UJNDWOAMUCGMPE-JTQLQIEISA-N 1 0 392.275 1.896 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000178947891 530731990 /nfs/dbraw/zinc/73/19/90/530731990.db2.gz QUZQCMPSYGMHGZ-VIFPVBQESA-N 1 0 378.248 1.648 20 5 GDBDRO CN(CCCN1CC[NH+](C)CC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181503570 530784922 /nfs/dbraw/zinc/78/49/22/530784922.db2.gz AYRKLZGSINNSON-UHFFFAOYSA-N 1 0 376.504 1.134 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000182537329 530801061 /nfs/dbraw/zinc/80/10/61/530801061.db2.gz YRSMSCJLOIIYBG-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106895440 530851509 /nfs/dbraw/zinc/85/15/09/530851509.db2.gz SZCWIUTZZOSPPV-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000186854675 530864037 /nfs/dbraw/zinc/86/40/37/530864037.db2.gz UDZIBAYGCILRLS-UFBFGSQYSA-N 1 0 389.193 1.927 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000189124058 530907887 /nfs/dbraw/zinc/90/78/87/530907887.db2.gz PASAOKMBRZSHLQ-UHFFFAOYSA-N 1 0 390.893 1.472 20 5 GDBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000189682694 530918795 /nfs/dbraw/zinc/91/87/95/530918795.db2.gz QLJZKNAHIBBLNS-UHFFFAOYSA-N 1 0 382.467 1.699 20 5 GDBDRO COCCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120508012 530941683 /nfs/dbraw/zinc/94/16/83/530941683.db2.gz FCNKKXQHJVUBJN-UHFFFAOYSA-N 1 0 388.262 1.984 20 5 GDBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000246204759 531064910 /nfs/dbraw/zinc/06/49/10/531064910.db2.gz QNTLGBPJTCIKCG-NWDGAFQWSA-N 1 0 391.877 1.714 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ccc1I)N1CCC[NH2+]CC1 ZINC000237803283 531049954 /nfs/dbraw/zinc/04/99/54/531049954.db2.gz DAMYIJMGPFEZHM-UHFFFAOYSA-N 1 0 375.166 1.635 20 5 GDBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000237906538 531051957 /nfs/dbraw/zinc/05/19/57/531051957.db2.gz RQPHLLNXQFSHCF-NSHDSACASA-N 1 0 375.166 1.667 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000150872848 531131021 /nfs/dbraw/zinc/13/10/21/531131021.db2.gz AWKBOYOYWYVRCA-GFCCVEGCSA-N 1 0 379.866 1.883 20 5 GDBDRO C[C@H]1CN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CCS1 ZINC000264204072 531173379 /nfs/dbraw/zinc/17/33/79/531173379.db2.gz JXIYHXJFLFSNMW-LBPRGKRZSA-N 1 0 388.515 1.376 20 5 GDBDRO NS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000265061935 531225261 /nfs/dbraw/zinc/22/52/61/531225261.db2.gz SUUTUXPLOABEIA-SNVBAGLBSA-N 1 0 390.849 1.187 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000290374903 531228671 /nfs/dbraw/zinc/22/86/71/531228671.db2.gz BLELBYFKCORDRC-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000440435976 531338662 /nfs/dbraw/zinc/33/86/62/531338662.db2.gz IDKYCZACWHVBRH-LLVKDONJSA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000266274158 531334736 /nfs/dbraw/zinc/33/47/36/531334736.db2.gz RSPYUXDPOOZCMW-GFCCVEGCSA-N 1 0 388.515 1.742 20 5 GDBDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000440962952 531351293 /nfs/dbraw/zinc/35/12/93/531351293.db2.gz LECHYDRUDSAAJJ-LDYMZIIASA-N 1 0 385.218 1.553 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000440810687 531345136 /nfs/dbraw/zinc/34/51/36/531345136.db2.gz QBXKQUZGNVYDCE-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c1 ZINC000292761265 531376227 /nfs/dbraw/zinc/37/62/27/531376227.db2.gz SANZATKPLCMCFA-OLZOCXBDSA-N 1 0 392.193 1.829 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000447254969 531423937 /nfs/dbraw/zinc/42/39/37/531423937.db2.gz IFCLYBBRTAUCAC-WRWORJQWSA-N 1 0 378.248 1.633 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000447254968 531424317 /nfs/dbraw/zinc/42/43/17/531424317.db2.gz IFCLYBBRTAUCAC-RDDDGLTNSA-N 1 0 378.248 1.633 20 5 GDBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415308685 531473500 /nfs/dbraw/zinc/47/35/00/531473500.db2.gz ZGNQQBFFPMOONR-JTQLQIEISA-N 1 0 385.218 1.425 20 5 GDBDRO Cc1c(NC(=O)C(=O)N(C)C2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415326460 531475531 /nfs/dbraw/zinc/47/55/31/531475531.db2.gz NAPILIGLWIUVLY-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000415445026 531486616 /nfs/dbraw/zinc/48/66/16/531486616.db2.gz SCPBVHIPQYWRGG-SNVBAGLBSA-N 1 0 387.234 1.704 20 5 GDBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415495421 531490674 /nfs/dbraw/zinc/49/06/74/531490674.db2.gz JFKSZPBHHVQHDD-JTQLQIEISA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415624798 531504722 /nfs/dbraw/zinc/50/47/22/531504722.db2.gz OLJWTJOMFGKVEH-UFBFGSQYSA-N 1 0 399.245 1.718 20 5 GDBDRO Cc1c(NC(=O)NCCN2CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415648967 531507319 /nfs/dbraw/zinc/50/73/19/531507319.db2.gz CRNRCNGZDKQWKL-UHFFFAOYSA-N 1 0 386.250 1.692 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000551765927 531546270 /nfs/dbraw/zinc/54/62/70/531546270.db2.gz ZHUJWAHIKDYMAZ-JTQLQIEISA-N 1 0 397.229 1.649 20 5 GDBDRO C[C@@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000584530493 531623574 /nfs/dbraw/zinc/62/35/74/531623574.db2.gz SRBSIZZFMJBOMT-CQSZACIVSA-N 1 0 389.225 1.929 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619490142 531708840 /nfs/dbraw/zinc/70/88/40/531708840.db2.gz YYCBYEDTNISUSD-GFCCVEGCSA-N 1 0 375.447 1.239 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000366318669 531736661 /nfs/dbraw/zinc/73/66/61/531736661.db2.gz FZMYCJSXCSPOEA-CABZTGNLSA-N 1 0 390.259 1.730 20 5 GDBDRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000269757112 531742257 /nfs/dbraw/zinc/74/22/57/531742257.db2.gz BFIZEEGWDYJWSN-UHFFFAOYSA-N 1 0 391.877 1.762 20 5 GDBDRO Cc1c(Br)c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000591986860 531747031 /nfs/dbraw/zinc/74/70/31/531747031.db2.gz XKXUAPXHPYXUGO-JTQLQIEISA-N 1 0 386.250 1.617 20 5 GDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000592180121 531769374 /nfs/dbraw/zinc/76/93/74/531769374.db2.gz JRINROMQHGWFDJ-CQSZACIVSA-N 1 0 383.202 1.531 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367797158 531864662 /nfs/dbraw/zinc/86/46/62/531864662.db2.gz JGQAKMSOHNBPNL-GXSJLCMTSA-N 1 0 390.259 1.730 20 5 GDBDRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000298395050 531882807 /nfs/dbraw/zinc/88/28/07/531882807.db2.gz LPABZCWXLHHEFB-LNSITVRQSA-N 1 0 389.499 1.372 20 5 GDBDRO C[NH+]1CCN(CCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598976520 532002073 /nfs/dbraw/zinc/00/20/73/532002073.db2.gz UBCYVXOENPTRPC-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)c1 ZINC000598990220 532002107 /nfs/dbraw/zinc/00/21/07/532002107.db2.gz KRQJVCLMROWKIB-STQMWFEESA-N 1 0 392.193 1.829 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599105988 532006743 /nfs/dbraw/zinc/00/67/43/532006743.db2.gz SCSXMMRTNOUYMP-ZDUSSCGKSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371251851 532015340 /nfs/dbraw/zinc/01/53/40/532015340.db2.gz QPKZUNNCUSYFCA-QWHCGFSZSA-N 1 0 388.515 1.303 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371251849 532015504 /nfs/dbraw/zinc/01/55/04/532015504.db2.gz QPKZUNNCUSYFCA-CHWSQXEVSA-N 1 0 388.515 1.303 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000420467527 532020441 /nfs/dbraw/zinc/02/04/41/532020441.db2.gz DGPGOHHUAXZZPK-JTQLQIEISA-N 1 0 383.348 1.352 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462493518 532049771 /nfs/dbraw/zinc/04/97/71/532049771.db2.gz UHBWWRAXNGPLPH-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000394719504 532301555 /nfs/dbraw/zinc/30/15/55/532301555.db2.gz AOARSIQBKQRBCI-JTQLQIEISA-N 1 0 376.198 1.515 20 5 GDBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000394719508 532301562 /nfs/dbraw/zinc/30/15/62/532301562.db2.gz AOARSIQBKQRBCI-SNVBAGLBSA-N 1 0 376.198 1.515 20 5 GDBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000738361751 598250661 /nfs/dbraw/zinc/25/06/61/598250661.db2.gz ZRCMVXIJPHIRHY-UHFFFAOYSA-N 1 0 380.412 1.535 20 5 GDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736860266 598427402 /nfs/dbraw/zinc/42/74/02/598427402.db2.gz NDBWVRDOGIXTJS-HNNXBMFYSA-N 1 0 386.460 1.381 20 5 GDBDRO COc1cc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])cc1O ZINC000821717769 599450778 /nfs/dbraw/zinc/45/07/78/599450778.db2.gz XXSXCGVFFRAWJS-UHFFFAOYSA-N 1 0 386.368 1.658 20 5 GDBDRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826158738 607553868 /nfs/dbraw/zinc/55/38/68/607553868.db2.gz ANRJZIYQUPZPNJ-GOSISDBHSA-N 1 0 398.423 1.957 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000823639563 606926911 /nfs/dbraw/zinc/92/69/11/606926911.db2.gz DRNUVSPSHRTFNZ-GOEBONIOSA-N 1 0 396.411 1.390 20 5 GDBDRO C[C@H]1CSC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000553673650 650653573 /nfs/dbraw/zinc/65/35/73/650653573.db2.gz FSMPMJFIQQYKNK-FZMZJTMJSA-N 1 0 388.515 1.598 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CSC2(C)C)c([N+](=O)[O-])c1 ZINC000554891049 650682841 /nfs/dbraw/zinc/68/28/41/650682841.db2.gz GUNIZERPFUSTQO-AWEZNQCLSA-N 1 0 388.515 1.741 20 5 GDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000565599208 650805058 /nfs/dbraw/zinc/80/50/58/650805058.db2.gz RHXMSADLHVPPLF-IRUJWGPZSA-N 1 0 383.246 1.965 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)cc1Br ZINC000123407436 644695769 /nfs/dbraw/zinc/69/57/69/644695769.db2.gz NDEXWQUOXHCPLW-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000124975866 644711400 /nfs/dbraw/zinc/71/14/00/644711400.db2.gz VKAGGEGHQLWLGG-NXEZZACHSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000125040949 644712023 /nfs/dbraw/zinc/71/20/23/644712023.db2.gz NFMIAZVTNUHYKU-PRHODGIISA-N 1 0 394.247 1.094 20 5 GDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000178951150 644929714 /nfs/dbraw/zinc/92/97/14/644929714.db2.gz GJUYLKJNQFWLIG-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000440439160 646243385 /nfs/dbraw/zinc/24/33/85/646243385.db2.gz YWONVJHUZJSCQM-PSASIEDQSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000445546955 647269426 /nfs/dbraw/zinc/26/94/26/647269426.db2.gz FCAJUGHKXFTSRD-RKDXNWHRSA-N 1 0 378.248 1.906 20 5 GDBDRO Cc1sc(S(=O)(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000467050775 647627639 /nfs/dbraw/zinc/62/76/39/647627639.db2.gz YLDGAUHUVQTBTJ-UHFFFAOYSA-N 1 0 377.488 1.478 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cc(Br)ccc2F)c1 ZINC000518758070 648608935 /nfs/dbraw/zinc/60/89/35/648608935.db2.gz QMKJBXXFZVCUKQ-CYBMUJFWSA-N 1 0 387.209 1.886 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000582474610 651998471 /nfs/dbraw/zinc/99/84/71/651998471.db2.gz OHZDJEXKUIGNPN-JTQLQIEISA-N 1 0 399.245 1.802 20 5 GDBDRO COC[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635064 652008274 /nfs/dbraw/zinc/00/82/74/652008274.db2.gz OGCYVKQLRANEGP-LBPRGKRZSA-N 1 0 380.182 1.686 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000592374317 652184077 /nfs/dbraw/zinc/18/40/77/652184077.db2.gz LIDLHIGQNPBMLI-KWQFWETISA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000592375109 652184448 /nfs/dbraw/zinc/18/44/48/652184448.db2.gz SPKMRXPDBCWFDP-LDYMZIIASA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c(Br)c1 ZINC000592381568 652185869 /nfs/dbraw/zinc/18/58/69/652185869.db2.gz WAIZDWMOLBGGRM-SKDRFNHKSA-N 1 0 390.259 1.730 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000594531466 652310795 /nfs/dbraw/zinc/31/07/95/652310795.db2.gz BGYSZRMEIMOBRR-MRVPVSSYSA-N 1 0 399.123 1.302 20 5 GDBDRO C[NH2+]CCOCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602564002 652641536 /nfs/dbraw/zinc/64/15/36/652641536.db2.gz KEJRQXWIEVUKJT-UHFFFAOYSA-N 1 0 393.181 1.165 20 5 GDBDRO C[NH+](C)CCOCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000779429623 654761339 /nfs/dbraw/zinc/76/13/39/654761339.db2.gz TXADOKYZHVNTQS-UHFFFAOYSA-N 1 0 385.364 1.878 20 5 GDBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000782898537 654848347 /nfs/dbraw/zinc/84/83/47/654848347.db2.gz MBGAPGODJBROEM-NSHDSACASA-N 1 0 388.266 1.696 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751000356 654867692 /nfs/dbraw/zinc/86/76/92/654867692.db2.gz YYDXPMBORMFUSK-RYUDHWBXSA-N 1 0 384.230 1.950 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011761 655277801 /nfs/dbraw/zinc/27/78/01/655277801.db2.gz YTPUVXMCRBKIIP-JTQLQIEISA-N 1 0 394.856 1.302 20 5 GDBDRO C[C@]1(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000841210454 655314362 /nfs/dbraw/zinc/31/43/62/655314362.db2.gz DDRKHVWJPDNSFV-HNNXBMFYSA-N 1 0 399.245 1.802 20 5 GDBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000841524885 655337153 /nfs/dbraw/zinc/33/71/53/655337153.db2.gz QVSAGMZUMKMMRI-SNVBAGLBSA-N 1 0 392.275 1.896 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1Br ZINC000842479928 655366756 /nfs/dbraw/zinc/36/67/56/655366756.db2.gz JNSSFPIWTXODJT-TVQRCGJNSA-N 1 0 390.259 1.730 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000842486310 655368255 /nfs/dbraw/zinc/36/82/55/655368255.db2.gz XBIIHZAUYBITLR-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842832673 655380135 /nfs/dbraw/zinc/38/01/35/655380135.db2.gz CUIIMRRZFVPNPD-KCJUWKMLSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H]1C ZINC000842837142 655380547 /nfs/dbraw/zinc/38/05/47/655380547.db2.gz KKYHILGXSMCMJG-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842869302 655381670 /nfs/dbraw/zinc/38/16/70/655381670.db2.gz JAJQZRMVHUPJPJ-LLVKDONJSA-N 1 0 378.248 1.715 20 5 GDBDRO Cn1c(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cnc1Cl ZINC000848911189 655502147 /nfs/dbraw/zinc/50/21/47/655502147.db2.gz RABVJEDFPUSPFD-UHFFFAOYSA-N 1 0 387.849 1.351 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000850592687 655559765 /nfs/dbraw/zinc/55/97/65/655559765.db2.gz QYNMXYQVBZBRRR-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1F ZINC000850593331 655559902 /nfs/dbraw/zinc/55/99/02/655559902.db2.gz MHILGDNPEAMVLA-NXEZZACHSA-N 1 0 382.211 1.417 20 5 GDBDRO O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850853885 655570218 /nfs/dbraw/zinc/57/02/18/655570218.db2.gz IKFFGKJMXIZTRR-UHFFFAOYSA-N 1 0 383.202 1.164 20 5 GDBDRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000861525498 655824629 /nfs/dbraw/zinc/82/46/29/655824629.db2.gz ZDZRXYMESQVHHA-WPRPVWTQSA-N 1 0 385.218 1.553 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000867323421 656038240 /nfs/dbraw/zinc/03/82/40/656038240.db2.gz DPRZOWZIBFRFRI-UHFFFAOYSA-N 1 0 396.238 1.679 20 5 GDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000932831719 657226352 /nfs/dbraw/zinc/22/63/52/657226352.db2.gz UMNIKASYGMOKMA-ZDUSSCGKSA-N 1 0 398.257 1.820 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756843 658033842 /nfs/dbraw/zinc/03/38/42/658033842.db2.gz RCZZOZKVXSKLQB-OLZOCXBDSA-N 1 0 399.245 1.424 20 5 GDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896549086 658788590 /nfs/dbraw/zinc/78/85/90/658788590.db2.gz MPPVQXMCMHDYEK-GXFFZTMASA-N 1 0 385.262 1.721 20 5 GDBDRO COCC[NH2+]CCc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595785 659125300 /nfs/dbraw/zinc/12/53/00/659125300.db2.gz PAQVDPBLWXYDEO-UHFFFAOYSA-N 1 0 384.234 1.776 20 5 GDBDRO Cn1nnc2c1CCN(c1cc([N+](=O)[O-])ccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714418 720167753 /nfs/dbraw/zinc/16/77/53/720167753.db2.gz OZNWEVBBKSKTNS-MRXNPFEDSA-N 1 0 387.444 1.335 20 5 GDBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833335 720509321 /nfs/dbraw/zinc/50/93/21/720509321.db2.gz DFKHNFCDNKTIAR-RYQLBKOJSA-N 1 0 386.456 1.803 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164740878 720613392 /nfs/dbraw/zinc/61/33/92/720613392.db2.gz JNEHKBGNSQCTOH-OLZOCXBDSA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164737546 720659895 /nfs/dbraw/zinc/65/98/95/720659895.db2.gz GAZAGYZWFNFZNP-CHWSQXEVSA-N 1 0 387.356 1.030 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164854749 720841581 /nfs/dbraw/zinc/84/15/81/720841581.db2.gz SCGZQPBUBVXDOH-RDTXWAMCSA-N 1 0 387.440 1.712 20 5 GDBDRO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747116 720855451 /nfs/dbraw/zinc/85/54/51/720855451.db2.gz HYCWULGHJMGDNS-YESZJQIVSA-N 1 0 398.471 1.664 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856857 720858107 /nfs/dbraw/zinc/85/81/07/720858107.db2.gz PQIXGLLFHFDWEV-JSGCOSHPSA-N 1 0 386.836 1.055 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@H]2C1 ZINC001164852624 720866378 /nfs/dbraw/zinc/86/63/78/720866378.db2.gz DWJZDRHKPUOQMW-BBRMVZONSA-N 1 0 375.429 1.645 20 5 GDBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001164926072 721856158 /nfs/dbraw/zinc/85/61/58/721856158.db2.gz HAONWXRSKNQFLF-UWVGGRQHSA-N 1 0 375.260 1.906 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164927812 721870768 /nfs/dbraw/zinc/87/07/68/721870768.db2.gz WHNJWBVRADIYSV-HOTGVXAUSA-N 1 0 377.445 1.381 20 5 GDBDRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)C2)CC1 ZINC000123802199 530987842 /nfs/dbraw/zinc/98/78/42/530987842.db2.gz LCNAYXQHMWXFGC-ZDUSSCGKSA-N 1 0 388.515 1.365 20 5 GDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000237963719 531053237 /nfs/dbraw/zinc/05/32/37/531053237.db2.gz NISNOWVXCKMSGR-VIFPVBQESA-N 1 0 375.166 1.763 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000261755873 531097913 /nfs/dbraw/zinc/09/79/13/531097913.db2.gz FOHXOORPGYVNJC-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000261926743 531103058 /nfs/dbraw/zinc/10/30/58/531103058.db2.gz ZIQKXBQSDHVFEY-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000151603619 531140778 /nfs/dbraw/zinc/14/07/78/531140778.db2.gz MFSHXEPPGAKPBJ-CYBMUJFWSA-N 1 0 398.261 1.495 20 5 GDBDRO CSCCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265515274 531261571 /nfs/dbraw/zinc/26/15/71/531261571.db2.gz QGGPOKFQIYPESI-UHFFFAOYSA-N 1 0 376.504 1.600 20 5 GDBDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000291328145 531284613 /nfs/dbraw/zinc/28/46/13/531284613.db2.gz PLEWCSBNGYDWCX-UHFFFAOYSA-N 1 0 399.245 1.848 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440807664 531344939 /nfs/dbraw/zinc/34/49/39/531344939.db2.gz WBAPZNFGKKEJIV-PELKAZGASA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH+]1CCC(O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267925519 531462607 /nfs/dbraw/zinc/46/26/07/531462607.db2.gz LSQOBQVLHAABFD-UHFFFAOYSA-N 1 0 390.209 1.683 20 5 GDBDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415737863 531521776 /nfs/dbraw/zinc/52/17/76/531521776.db2.gz DEKAQNDKVWBRMH-SECBINFHSA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000281050327 531572245 /nfs/dbraw/zinc/57/22/45/531572245.db2.gz JEKSCALLNDAOCU-MRVPVSSYSA-N 1 0 387.234 1.671 20 5 GDBDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000583580095 531585281 /nfs/dbraw/zinc/58/52/81/531585281.db2.gz ZDAVAMHRIFIZIL-UHFFFAOYSA-N 1 0 387.234 1.752 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000416493453 531646006 /nfs/dbraw/zinc/64/60/06/531646006.db2.gz FCPLLNZCSPKBAG-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000592104206 531761103 /nfs/dbraw/zinc/76/11/03/531761103.db2.gz OUDDIEFVEQWPPW-UHFFFAOYSA-N 1 0 389.861 1.734 20 5 GDBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452356469 531772894 /nfs/dbraw/zinc/77/28/94/531772894.db2.gz CSXDXAHNEBAZRR-LBPRGKRZSA-N 1 0 386.246 1.934 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453917454 531833047 /nfs/dbraw/zinc/83/30/47/531833047.db2.gz MWLVLRUKEAJKKP-RNCFNFMXSA-N 1 0 397.229 1.458 20 5 GDBDRO CS[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000596197610 531911855 /nfs/dbraw/zinc/91/18/55/531911855.db2.gz SMILZQFVFPFDBK-UONOGXRCSA-N 1 0 386.499 1.258 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271029033 531956846 /nfs/dbraw/zinc/95/68/46/531956846.db2.gz GWLGEINAUINZGN-RYUDHWBXSA-N 1 0 379.891 1.914 20 5 GDBDRO CC[NH+]1CCN([C@@H]2CCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000270988071 531952167 /nfs/dbraw/zinc/95/21/67/531952167.db2.gz UAAHUNODFGGRLN-GFCCVEGCSA-N 1 0 384.278 1.969 20 5 GDBDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424392016 532090526 /nfs/dbraw/zinc/09/05/26/532090526.db2.gz OFFKJEPJERXZNT-NWDGAFQWSA-N 1 0 385.833 1.097 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[C@@H]1CN1CCOCC1 ZINC000374040753 532109432 /nfs/dbraw/zinc/10/94/32/532109432.db2.gz RVTCXBRLMKOMPU-LLVKDONJSA-N 1 0 399.245 1.689 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000374188985 532113503 /nfs/dbraw/zinc/11/35/03/532113503.db2.gz POJLPZPUYQXYHW-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO CCN1CCO[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000375818018 532184798 /nfs/dbraw/zinc/18/47/98/532184798.db2.gz GVXANXJOMKMTRV-OAHLLOKOSA-N 1 0 398.257 1.963 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000376723309 532226341 /nfs/dbraw/zinc/22/63/41/532226341.db2.gz NHZQVDIZBGBUPL-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000275051430 532258204 /nfs/dbraw/zinc/25/82/04/532258204.db2.gz HRVHMTZZTAEKDS-AWEZNQCLSA-N 1 0 393.462 1.458 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275347251 532288097 /nfs/dbraw/zinc/28/80/97/532288097.db2.gz GCKGXFCVPLGTMN-CHWSQXEVSA-N 1 0 393.462 1.409 20 5 GDBDRO CS[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000275539425 532299095 /nfs/dbraw/zinc/29/90/95/532299095.db2.gz ZXMAESVJVIBKTQ-CABCVRRESA-N 1 0 386.499 1.258 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289328236 532321487 /nfs/dbraw/zinc/32/14/87/532321487.db2.gz VIRJZGDCBSUODQ-LBPRGKRZSA-N 1 0 383.246 1.477 20 5 GDBDRO COCC[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289796854 532332434 /nfs/dbraw/zinc/33/24/34/532332434.db2.gz KOLKKBRHPLPKAL-NSHDSACASA-N 1 0 380.182 1.686 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000825935072 608034963 /nfs/dbraw/zinc/03/49/63/608034963.db2.gz UFYFGVJSCCZNIR-UHFFFAOYSA-N 1 0 391.823 1.798 20 5 GDBDRO C[NH+](C)CCOC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000538759618 650321166 /nfs/dbraw/zinc/32/11/66/650321166.db2.gz LHBCWEIAQKRKRP-UHFFFAOYSA-N 1 0 377.488 1.607 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000123258180 644694392 /nfs/dbraw/zinc/69/43/92/644694392.db2.gz XFCFRNXASCVYEY-GHMZBOCLSA-N 1 0 378.248 1.906 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000124947084 644710662 /nfs/dbraw/zinc/71/06/62/644710662.db2.gz LZGBNTJBRJWKPN-IUCAKERBSA-N 1 0 378.248 1.906 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1I ZINC000178717776 644926309 /nfs/dbraw/zinc/92/63/09/644926309.db2.gz OTNBESORFFNJTG-MRVPVSSYSA-N 1 0 375.166 1.681 20 5 GDBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000330615276 645383992 /nfs/dbraw/zinc/38/39/92/645383992.db2.gz UHUJRENWKNVBGX-CHWSQXEVSA-N 1 0 375.422 1.693 20 5 GDBDRO C[NH2+]CCCN(C)C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000570153857 651026991 /nfs/dbraw/zinc/02/69/91/651026991.db2.gz FMBKGLPRUAWTOZ-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000370982464 645718273 /nfs/dbraw/zinc/71/82/73/645718273.db2.gz NIUXMVIGBTZOLX-LLVKDONJSA-N 1 0 375.397 1.619 20 5 GDBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000468656318 647667867 /nfs/dbraw/zinc/66/78/67/647667867.db2.gz UROFTYOUPGAPQU-SDNWHVSQSA-N 1 0 385.511 1.966 20 5 GDBDRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000481469737 647877305 /nfs/dbraw/zinc/87/73/05/647877305.db2.gz ZNURBNSGYGDGFI-UHFFFAOYSA-N 1 0 384.439 1.571 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH3+] ZINC000517933474 648582393 /nfs/dbraw/zinc/58/23/93/648582393.db2.gz IFGRDVUQZKNIEI-SSDOTTSWSA-N 1 0 377.182 1.832 20 5 GDBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000583761800 652047165 /nfs/dbraw/zinc/04/71/65/652047165.db2.gz CLAZLLCWTWTSNG-OAHLLOKOSA-N 1 0 384.230 1.544 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000592380841 652184960 /nfs/dbraw/zinc/18/49/60/652184960.db2.gz ZHJHGACBMBMCLQ-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977742 652520712 /nfs/dbraw/zinc/52/07/12/652520712.db2.gz KSJYXOSRSBLLJX-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO COc1ncc(Br)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600757355 652551712 /nfs/dbraw/zinc/55/17/12/652551712.db2.gz UZKWANRRKLNKMT-LBPRGKRZSA-N 1 0 386.206 1.108 20 5 GDBDRO Cc1cc(S(=O)(=O)N(C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601348950 652568892 /nfs/dbraw/zinc/56/88/92/652568892.db2.gz DGBAIQRZJHVFSZ-UHFFFAOYSA-N 1 0 376.504 1.223 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000609516991 652847362 /nfs/dbraw/zinc/84/73/62/652847362.db2.gz BFTRGPCARJXBBO-LBPRGKRZSA-N 1 0 394.273 1.985 20 5 GDBDRO C[C@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000700975551 654832027 /nfs/dbraw/zinc/83/20/27/654832027.db2.gz PIWSOFHTNIBDKM-LBPRGKRZSA-N 1 0 375.166 1.763 20 5 GDBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000810365534 655156685 /nfs/dbraw/zinc/15/66/85/655156685.db2.gz AFEZTCXCTPBDFE-ZDUSSCGKSA-N 1 0 399.245 1.752 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000813730239 655243659 /nfs/dbraw/zinc/24/36/59/655243659.db2.gz POWZTEDBESVBSA-MRVPVSSYSA-N 1 0 398.254 1.972 20 5 GDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)N1CC[NH+](C)CC1 ZINC000798170943 655255684 /nfs/dbraw/zinc/25/56/84/655255684.db2.gz LHKNBSIIHUVUSN-JTQLQIEISA-N 1 0 386.250 1.118 20 5 GDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841163393 655311613 /nfs/dbraw/zinc/31/16/13/655311613.db2.gz GYNYMEXPDAUAFG-JTQLQIEISA-N 1 0 385.218 1.506 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)cc1Br ZINC000842479874 655366750 /nfs/dbraw/zinc/36/67/50/655366750.db2.gz HDNXDNGWVUCENI-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000842485212 655368070 /nfs/dbraw/zinc/36/80/70/655368070.db2.gz FHRBTXNYRWQZTA-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000842744541 655374829 /nfs/dbraw/zinc/37/48/29/655374829.db2.gz STDFXQNRYDLTJH-QPUJVOFHSA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842787136 655376900 /nfs/dbraw/zinc/37/69/00/655376900.db2.gz JFNDXMAOFZAKBN-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842793013 655377423 /nfs/dbraw/zinc/37/74/23/655377423.db2.gz HAFWZEDDLTXUBD-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842794762 655377721 /nfs/dbraw/zinc/37/77/21/655377721.db2.gz WPLUNTMEHCJRTO-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000846229095 655450200 /nfs/dbraw/zinc/45/02/00/655450200.db2.gz HKUGABLHGDAYBG-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000846233170 655450413 /nfs/dbraw/zinc/45/04/13/655450413.db2.gz ZQWGYGHTCGUBHX-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825708374 655492790 /nfs/dbraw/zinc/49/27/90/655492790.db2.gz HDDDKUPUQRYOFK-SNVBAGLBSA-N 1 0 387.234 1.593 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000858623088 655751013 /nfs/dbraw/zinc/75/10/13/655751013.db2.gz FGLGRHHXVBEPJU-IUCAKERBSA-N 1 0 385.339 1.882 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1Br ZINC000866828713 655967871 /nfs/dbraw/zinc/96/78/71/655967871.db2.gz XPIGDIRYNKPHPG-DGCLKSJQSA-N 1 0 390.259 1.872 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000881927472 656994682 /nfs/dbraw/zinc/99/46/82/656994682.db2.gz CRFPZZQSHVIVID-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000895773465 658728659 /nfs/dbraw/zinc/72/86/59/658728659.db2.gz QCRJOBOJUZBKSZ-ZDUSSCGKSA-N 1 0 384.230 1.742 20 5 GDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000903590451 659356346 /nfs/dbraw/zinc/35/63/46/659356346.db2.gz XHAMTHQGWHNQSI-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599937065 677679000 /nfs/dbraw/zinc/67/90/00/677679000.db2.gz COFYQMYNAHWDNA-STQMWFEESA-N 1 0 398.257 1.947 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])C2 ZINC001164808595 720116537 /nfs/dbraw/zinc/11/65/37/720116537.db2.gz FVDFOKYZUVIWIJ-DNVCBOLYSA-N 1 0 391.472 1.887 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164807946 720139677 /nfs/dbraw/zinc/13/96/77/720139677.db2.gz DACDDIAMKLERKG-LPHOPBHVSA-N 1 0 376.457 1.721 20 5 GDBDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164824961 720349349 /nfs/dbraw/zinc/34/93/49/720349349.db2.gz IILDSAYDHMWBOP-HZPDHXFCSA-N 1 0 388.472 1.605 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727800 720568386 /nfs/dbraw/zinc/56/83/86/720568386.db2.gz FKFMIQMHWBFDJD-UHFFFAOYSA-N 1 0 392.847 1.737 20 5 GDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164737124 720682975 /nfs/dbraw/zinc/68/29/75/720682975.db2.gz DNDFCWSSTOFIQW-HUUCEWRRSA-N 1 0 393.407 1.670 20 5 GDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000160155898 530549354 /nfs/dbraw/zinc/54/93/54/530549354.db2.gz MGORJOYJFFVZMX-GFCCVEGCSA-N 1 0 386.246 1.934 20 5 GDBDRO C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000161509225 530561100 /nfs/dbraw/zinc/56/11/00/530561100.db2.gz SXOCOWVGZJARCI-GFCCVEGCSA-N 1 0 386.257 1.493 20 5 GDBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161717888 530562827 /nfs/dbraw/zinc/56/28/27/530562827.db2.gz LTFLBZXZDBETPJ-GFCCVEGCSA-N 1 0 375.422 1.249 20 5 GDBDRO C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000177284601 530700046 /nfs/dbraw/zinc/70/00/46/530700046.db2.gz PYYRQGJBHXBYBX-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180107028 530757994 /nfs/dbraw/zinc/75/79/94/530757994.db2.gz AEYSVMPJGSSGKE-LBPRGKRZSA-N 1 0 377.438 1.677 20 5 GDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183913607 530822219 /nfs/dbraw/zinc/82/22/19/530822219.db2.gz NULALJPXRWAELV-AWEZNQCLSA-N 1 0 382.214 1.842 20 5 GDBDRO C[NH+](C)C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])CCO1 ZINC000108952160 530860147 /nfs/dbraw/zinc/86/01/47/530860147.db2.gz ODCYFFTZXWIVJC-LLVKDONJSA-N 1 0 391.209 1.966 20 5 GDBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000187246568 530869537 /nfs/dbraw/zinc/86/95/37/530869537.db2.gz CKSINBVGGAPUDX-NSHDSACASA-N 1 0 375.422 1.847 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188205488 530888543 /nfs/dbraw/zinc/88/85/43/530888543.db2.gz HBAVMJJKEHPMLM-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000124945722 531000965 /nfs/dbraw/zinc/00/09/65/531000965.db2.gz YKGFRVYZGMJYKZ-VHSXEESVSA-N 1 0 378.248 1.906 20 5 GDBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(S(=O)(=O)C3CCOCC3)CC2)cs1 ZINC000130595507 531062146 /nfs/dbraw/zinc/06/21/46/531062146.db2.gz DZCVIYIOGDOSAG-UHFFFAOYSA-N 1 0 389.499 1.719 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000130204755 531058611 /nfs/dbraw/zinc/05/86/11/531058611.db2.gz IMNKUUROKFFVFW-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]12 ZINC000248667561 531080631 /nfs/dbraw/zinc/08/06/31/531080631.db2.gz XCEBMYUTUQNCJJ-UBHAPETDSA-N 1 0 379.360 1.971 20 5 GDBDRO Cc1c(Br)c(N2CCC[C@H](C(=O)NCC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000261836898 531099859 /nfs/dbraw/zinc/09/98/59/531099859.db2.gz IJRYAGQDPQVTNK-JTQLQIEISA-N 1 0 386.250 1.352 20 5 GDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000261949933 531103758 /nfs/dbraw/zinc/10/37/58/531103758.db2.gz FVTBEFBDIAAPDE-VIFPVBQESA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000262174916 531111410 /nfs/dbraw/zinc/11/14/10/531111410.db2.gz YTVONSYIDNQMPB-LLVKDONJSA-N 1 0 380.754 1.814 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@H]1C ZINC000440809237 531344771 /nfs/dbraw/zinc/34/47/71/531344771.db2.gz SDPXNOXXJIEZDL-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO COc1ccc(S(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267247008 531414380 /nfs/dbraw/zinc/41/43/80/531414380.db2.gz YZSMZNXBAAFZQH-AWEZNQCLSA-N 1 0 375.472 1.319 20 5 GDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000362012502 531454614 /nfs/dbraw/zinc/45/46/14/531454614.db2.gz VJSCAUMRRRTVSM-GFCCVEGCSA-N 1 0 388.515 1.276 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415500041 531490593 /nfs/dbraw/zinc/49/05/93/531490593.db2.gz RUIGTRZLEGOWJI-LLVKDONJSA-N 1 0 399.245 1.815 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415539392 531492690 /nfs/dbraw/zinc/49/26/90/531492690.db2.gz JQDHVIKGANJLJS-RKDXNWHRSA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415568130 531496446 /nfs/dbraw/zinc/49/64/46/531496446.db2.gz KBHOJDGAEDKLGB-ZJUUUORDSA-N 1 0 399.245 1.800 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415751331 531525192 /nfs/dbraw/zinc/52/51/92/531525192.db2.gz WCADEVZLEZODCH-UWVGGRQHSA-N 1 0 397.229 1.364 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)CCC[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415767916 531526849 /nfs/dbraw/zinc/52/68/49/531526849.db2.gz ZJNNVJJBPJQJKJ-MRVPVSSYSA-N 1 0 387.234 1.848 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000416474259 531635469 /nfs/dbraw/zinc/63/54/69/531635469.db2.gz GTVYHQXGAXOAHL-AOOOYVTPSA-N 1 0 379.360 1.796 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1(O)CC[NH+](C)CC1 ZINC000269741189 531731832 /nfs/dbraw/zinc/73/18/32/531731832.db2.gz FBGYSEYGHSTUCR-UHFFFAOYSA-N 1 0 377.850 1.292 20 5 GDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc(I)c2C)C1 ZINC000591680944 531734343 /nfs/dbraw/zinc/73/43/43/531734343.db2.gz LRTGVDXYQYJXIE-SECBINFHSA-N 1 0 389.193 1.942 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592332319 531780203 /nfs/dbraw/zinc/78/02/03/531780203.db2.gz WKRYLWDQIBYLSV-QPUJVOFHSA-N 1 0 389.193 1.927 20 5 GDBDRO O=C(NCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1I ZINC000297247472 531772750 /nfs/dbraw/zinc/77/27/50/531772750.db2.gz QHSBJPYJWSKOFY-UHFFFAOYSA-N 1 0 389.193 1.929 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000595830403 531889309 /nfs/dbraw/zinc/88/93/09/531889309.db2.gz UVCSKGQNGLLVNN-GWCFXTLKSA-N 1 0 375.212 1.782 20 5 GDBDRO NS(=O)(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000596089523 531908365 /nfs/dbraw/zinc/90/83/65/531908365.db2.gz ODQLCLAMTLFULX-UHFFFAOYSA-N 1 0 382.467 1.774 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000271082253 531962594 /nfs/dbraw/zinc/96/25/94/531962594.db2.gz IDSLWODMTDACLJ-AAEUAGOBSA-N 1 0 375.472 1.270 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000599100382 532005082 /nfs/dbraw/zinc/00/50/82/532005082.db2.gz CQKXLZYZADODET-UHFFFAOYSA-N 1 0 383.348 1.400 20 5 GDBDRO [NH3+]C1(CO)CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301254175 532029762 /nfs/dbraw/zinc/02/97/62/532029762.db2.gz DZKHQPJHWQQKRA-UHFFFAOYSA-N 1 0 383.348 1.178 20 5 GDBDRO CN(C)C(=O)CN(CC[NH+](C)C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602710362 532081173 /nfs/dbraw/zinc/08/11/73/532081173.db2.gz TWDBPAVKMYNXEW-UHFFFAOYSA-N 1 0 393.307 1.871 20 5 GDBDRO C[C@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H](C)C1 ZINC000286269353 532139633 /nfs/dbraw/zinc/13/96/33/532139633.db2.gz DXZAVIPJDUZUGV-UWVGGRQHSA-N 1 0 395.840 1.463 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000273086262 532133333 /nfs/dbraw/zinc/13/33/33/532133333.db2.gz IMKRYQREIXFCMD-UONOGXRCSA-N 1 0 385.218 1.238 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376679714 532224582 /nfs/dbraw/zinc/22/45/82/532224582.db2.gz KQOMSUDUAURQIK-MWLCHTKSSA-N 1 0 390.259 1.730 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000274856723 532238095 /nfs/dbraw/zinc/23/80/95/532238095.db2.gz VAJPHUBVMJKJEO-CVEARBPZSA-N 1 0 385.511 1.936 20 5 GDBDRO CN1CC[NH2+]C[C@H]1CNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000394745948 532301439 /nfs/dbraw/zinc/30/14/39/532301439.db2.gz WTNMSHGMCNKSQU-NSHDSACASA-N 1 0 380.246 1.643 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000289569255 532328368 /nfs/dbraw/zinc/32/83/68/532328368.db2.gz RRXCYGQBFBHKQX-LBPRGKRZSA-N 1 0 378.166 1.440 20 5 GDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736745445 598248201 /nfs/dbraw/zinc/24/82/01/598248201.db2.gz HOVKSJHJUGROKH-CQSZACIVSA-N 1 0 388.432 1.130 20 5 GDBDRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736406398 598673133 /nfs/dbraw/zinc/67/31/33/598673133.db2.gz LBBGUHWLPTXXRB-HNNXBMFYSA-N 1 0 397.443 1.572 20 5 GDBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821691059 606124891 /nfs/dbraw/zinc/12/48/91/606124891.db2.gz HDTQLRXGBLSLQH-GFCCVEGCSA-N 1 0 398.427 1.846 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823635028 606640417 /nfs/dbraw/zinc/64/04/17/606640417.db2.gz PVHHVMYXBBHNLS-TZMCWYRMSA-N 1 0 376.398 1.021 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1cccc([N+](=O)[O-])c1 ZINC000825933301 608037048 /nfs/dbraw/zinc/03/70/48/608037048.db2.gz BEBXWJZESUBLMN-UHFFFAOYSA-N 1 0 387.404 1.024 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CCOc1ccccc1[N+](=O)[O-] ZINC000825933415 608037210 /nfs/dbraw/zinc/03/72/10/608037210.db2.gz DDOFFIJTJYQLOA-UHFFFAOYSA-N 1 0 387.404 1.024 20 5 GDBDRO CCC[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000825259945 608303883 /nfs/dbraw/zinc/30/38/83/608303883.db2.gz LLLSHVWUSBTSNJ-AWEZNQCLSA-N 1 0 375.433 1.712 20 5 GDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000544670788 650443925 /nfs/dbraw/zinc/44/39/25/650443925.db2.gz HLWWNNTYMRMQSR-UHFFFAOYSA-N 1 0 379.866 1.885 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(F)c(F)cc2Br)c1 ZINC000567262799 650896475 /nfs/dbraw/zinc/89/64/75/650896475.db2.gz APNQEBFBMYOOCX-SNVBAGLBSA-N 1 0 391.172 1.983 20 5 GDBDRO [NH3+]C1CCC(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000051694718 644421323 /nfs/dbraw/zinc/42/13/23/644421323.db2.gz KAYSAUUNNQMKJD-UHFFFAOYSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000125040743 644711957 /nfs/dbraw/zinc/71/19/57/644711957.db2.gz NFMIAZVTNUHYKU-QPUJVOFHSA-N 1 0 394.247 1.094 20 5 GDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000237356301 645085370 /nfs/dbraw/zinc/08/53/70/645085370.db2.gz KHVDQGJCLPKJMM-UHFFFAOYSA-N 1 0 392.275 1.977 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000462397354 647526651 /nfs/dbraw/zinc/52/66/51/647526651.db2.gz MLSGHBALTZXNAI-ZDUSSCGKSA-N 1 0 390.259 1.731 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000467084889 647631405 /nfs/dbraw/zinc/63/14/05/647631405.db2.gz JUDBMCGHFZCVPJ-MBNYWOFBSA-N 1 0 389.499 1.837 20 5 GDBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502835743 648174056 /nfs/dbraw/zinc/17/40/56/648174056.db2.gz GMODQIOMFAUNBY-ZYHUDNBSSA-N 1 0 399.245 1.800 20 5 GDBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502835742 648174087 /nfs/dbraw/zinc/17/40/87/648174087.db2.gz GMODQIOMFAUNBY-PWSUYJOCSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Br ZINC000582780599 652015044 /nfs/dbraw/zinc/01/50/44/652015044.db2.gz XUFGUMQKFAMHGY-YPMHNXCESA-N 1 0 399.245 1.972 20 5 GDBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000583761799 652047022 /nfs/dbraw/zinc/04/70/22/652047022.db2.gz CLAZLLCWTWTSNG-HNNXBMFYSA-N 1 0 384.230 1.544 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000589926514 652121357 /nfs/dbraw/zinc/12/13/57/652121357.db2.gz VJLVREFBCZRRQR-CABZTGNLSA-N 1 0 390.259 1.682 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591302560 652160287 /nfs/dbraw/zinc/16/02/87/652160287.db2.gz BIPSJYKKFJDALZ-UHFFFAOYSA-N 1 0 399.245 1.944 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000595404937 652417759 /nfs/dbraw/zinc/41/77/59/652417759.db2.gz OZWJHZXJBRJZIV-CYBMUJFWSA-N 1 0 391.877 1.980 20 5 GDBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]C1 ZINC000595990704 652431533 /nfs/dbraw/zinc/43/15/33/652431533.db2.gz CUUUDKYEJNHZGD-LBPRGKRZSA-N 1 0 375.166 1.681 20 5 GDBDRO CN1CCOC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599002844 652477217 /nfs/dbraw/zinc/47/72/17/652477217.db2.gz CHQPXLOBQRXLLT-ZDUSSCGKSA-N 1 0 391.209 1.620 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938878 652519216 /nfs/dbraw/zinc/51/92/16/652519216.db2.gz SDKRTHQQZMTISA-RYUDHWBXSA-N 1 0 384.230 1.638 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601365965 652571342 /nfs/dbraw/zinc/57/13/42/652571342.db2.gz YUCNSIDZEDMEJE-UHFFFAOYSA-N 1 0 376.504 1.269 20 5 GDBDRO CN(CCOCC[NH3+])C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602552778 652641231 /nfs/dbraw/zinc/64/12/31/652641231.db2.gz XOGMKBLDKUAPQG-UHFFFAOYSA-N 1 0 393.181 1.247 20 5 GDBDRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603400715 652711320 /nfs/dbraw/zinc/71/13/20/652711320.db2.gz AQWIIJCIHVPECJ-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000768881702 654439421 /nfs/dbraw/zinc/43/94/21/654439421.db2.gz JDVWJOIFKMNSNP-JSGCOSHPSA-N 1 0 388.515 1.303 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000745942678 654751867 /nfs/dbraw/zinc/75/18/67/654751867.db2.gz QCEUYSLNVFJMDJ-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011762 655277757 /nfs/dbraw/zinc/27/77/57/655277757.db2.gz YTPUVXMCRBKIIP-SNVBAGLBSA-N 1 0 394.856 1.302 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000841155450 655310998 /nfs/dbraw/zinc/31/09/98/655310998.db2.gz YBHWRWBQBQCKDX-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000841207175 655313952 /nfs/dbraw/zinc/31/39/52/655313952.db2.gz HXMWVTNLJSPJAN-NXEZZACHSA-N 1 0 399.245 1.813 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841225123 655315506 /nfs/dbraw/zinc/31/55/06/655315506.db2.gz RHDZETMLNVRVCO-ZJUUUORDSA-N 1 0 399.245 1.990 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842480318 655366900 /nfs/dbraw/zinc/36/69/00/655366900.db2.gz UZVIWBFMGGLKPT-SCZZXKLOSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485305 655368092 /nfs/dbraw/zinc/36/80/92/655368092.db2.gz KUWLROROPWBQJF-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C[NH3+] ZINC000842485511 655368148 /nfs/dbraw/zinc/36/81/48/655368148.db2.gz IYVSJAAMQRWYLP-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000842486304 655368242 /nfs/dbraw/zinc/36/82/42/655368242.db2.gz XBIIHZAUYBITLR-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1[NH3+] ZINC000842726011 655373847 /nfs/dbraw/zinc/37/38/47/655373847.db2.gz AKABXJWKHQHNHP-GZMMTYOYSA-N 1 0 378.248 1.715 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC000842775960 655376373 /nfs/dbraw/zinc/37/63/73/655376373.db2.gz IQWKZOAZORGGDA-GFCCVEGCSA-N 1 0 392.275 1.976 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842868973 655381543 /nfs/dbraw/zinc/38/15/43/655381543.db2.gz AZCVSNSBCLQIHF-GFCCVEGCSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000842894963 655383397 /nfs/dbraw/zinc/38/33/97/655383397.db2.gz KKVBWUGCMOYQOK-NSHDSACASA-N 1 0 389.861 1.624 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000843098262 655388471 /nfs/dbraw/zinc/38/84/71/655388471.db2.gz NEIVLWIJWOWDRB-KBPBESRZSA-N 1 0 386.451 1.114 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856256812 655711041 /nfs/dbraw/zinc/71/10/41/655711041.db2.gz OJQZYFUILCQOAI-NSHDSACASA-N 1 0 399.245 1.424 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000858618453 655750730 /nfs/dbraw/zinc/75/07/30/655750730.db2.gz CNRPRXCFAVFNKT-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[NH2+]1 ZINC000858631902 655751488 /nfs/dbraw/zinc/75/14/88/655751488.db2.gz JQMMVHSIEXXEAS-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000867266481 656026525 /nfs/dbraw/zinc/02/65/25/656026525.db2.gz XRTISNLHWOHIGL-UHFFFAOYSA-N 1 0 395.840 1.733 20 5 GDBDRO C[C@]12C[NH+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC000877668197 656686561 /nfs/dbraw/zinc/68/65/61/656686561.db2.gz GDTVGTVDYRJFMC-HUUCEWRRSA-N 1 0 382.214 1.842 20 5 GDBDRO O=C1COC[C@@]2(C[NH2+]Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])COCCN12 ZINC000877733373 656689931 /nfs/dbraw/zinc/68/99/31/656689931.db2.gz UAWAEKYAPBOEAF-OAHLLOKOSA-N 1 0 390.223 1.619 20 5 GDBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896563650 658790257 /nfs/dbraw/zinc/79/02/57/658790257.db2.gz NRWOIWUOGQTLJF-YGRLFVJLSA-N 1 0 385.262 1.721 20 5 GDBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908074491 659865379 /nfs/dbraw/zinc/86/53/79/659865379.db2.gz ZLWVDFRSYRFTJB-QLJPJBMISA-N 1 0 398.257 1.697 20 5 GDBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000912607929 660044643 /nfs/dbraw/zinc/04/46/43/660044643.db2.gz OONKKEIXPNSCIA-UHFFFAOYSA-N 1 0 378.198 1.493 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164614355 719013824 /nfs/dbraw/zinc/01/38/24/719013824.db2.gz FBGVQYRYJPYEAU-MIMYLULJSA-N 1 0 390.774 1.918 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001164726255 720519232 /nfs/dbraw/zinc/51/92/32/720519232.db2.gz BUBOULSGWRKOTA-CYBMUJFWSA-N 1 0 388.428 1.561 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@@H]2C1 ZINC001164852029 720864149 /nfs/dbraw/zinc/86/41/49/720864149.db2.gz BSRHIIPZUVHJPT-TZMCWYRMSA-N 1 0 386.836 1.055 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764038 721132953 /nfs/dbraw/zinc/13/29/53/721132953.db2.gz GPXRIXBWGLUCEJ-LSDHHAIUSA-N 1 0 387.444 1.394 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164897103 721508471 /nfs/dbraw/zinc/50/84/71/721508471.db2.gz DPWNRUUWKDHYOC-HIFRSBDPSA-N 1 0 389.387 1.874 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(Cl)ncc2[N+](=O)[O-])CC3)CC1 ZINC001164794000 721509919 /nfs/dbraw/zinc/50/99/19/721509919.db2.gz ANECOCBSAMCOTK-UHFFFAOYSA-N 1 0 391.863 1.607 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(F)cc2[N+](=O)[O-])CC3)CC1 ZINC001164794593 721510746 /nfs/dbraw/zinc/51/07/46/721510746.db2.gz SLVAYZBLHUWVTK-UHFFFAOYSA-N 1 0 375.408 1.093 20 5 GDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1ncc(F)cc1[N+](=O)[O-])CCC2 ZINC001164999854 722251348 /nfs/dbraw/zinc/25/13/48/722251348.db2.gz HDKPRQKRZRZJBR-UHFFFAOYSA-N 1 0 378.408 1.814 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000184681011 530830931 /nfs/dbraw/zinc/83/09/31/530830931.db2.gz JLVNYKPHLVGTJY-SNVBAGLBSA-N 1 0 399.245 1.815 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000110650816 530869001 /nfs/dbraw/zinc/86/90/01/530869001.db2.gz CXYRCBNBTCWGOJ-VIFPVBQESA-N 1 0 389.193 1.881 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120954116 530947801 /nfs/dbraw/zinc/94/78/01/530947801.db2.gz SJBSRVWEHONFEL-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000122166550 530967317 /nfs/dbraw/zinc/96/73/17/530967317.db2.gz BTUDSADEVRYLHP-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129131936 531048406 /nfs/dbraw/zinc/04/84/06/531048406.db2.gz XQMIVGASEBNZCW-NSHDSACASA-N 1 0 376.504 1.498 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000261864064 531100941 /nfs/dbraw/zinc/10/09/41/531100941.db2.gz SLWBSDLNOVJCHG-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261898737 531101967 /nfs/dbraw/zinc/10/19/67/531101967.db2.gz OQVAWXWBGAUNCY-CYBMUJFWSA-N 1 0 383.246 1.477 20 5 GDBDRO C[NH+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000152322178 531150216 /nfs/dbraw/zinc/15/02/16/531150216.db2.gz INKKBPUORHHYNH-UHFFFAOYSA-N 1 0 385.262 1.263 20 5 GDBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000154622376 531186909 /nfs/dbraw/zinc/18/69/09/531186909.db2.gz OJJKVKCWAFOKKI-GFCCVEGCSA-N 1 0 399.289 1.652 20 5 GDBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C1 ZINC000440339902 531333218 /nfs/dbraw/zinc/33/32/18/531333218.db2.gz NDLOGYHHXZQLJE-SECBINFHSA-N 1 0 378.248 1.648 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440423734 531339104 /nfs/dbraw/zinc/33/91/04/531339104.db2.gz QMGPCQGTWCQTLG-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000447254963 531423805 /nfs/dbraw/zinc/42/38/05/531423805.db2.gz IFCLYBBRTAUCAC-CPCISQLKSA-N 1 0 378.248 1.633 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267493796 531428864 /nfs/dbraw/zinc/42/88/64/531428864.db2.gz XULMOJFXVXKXLU-LBPRGKRZSA-N 1 0 399.245 1.427 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415439209 531486048 /nfs/dbraw/zinc/48/60/48/531486048.db2.gz MQGDAKPZNOXGHG-VHSXEESVSA-N 1 0 399.245 1.882 20 5 GDBDRO CC1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000415567898 531497586 /nfs/dbraw/zinc/49/75/86/531497586.db2.gz HPSGSCSSMQUJJW-UHFFFAOYSA-N 1 0 399.245 1.802 20 5 GDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1Br ZINC000295346671 531563926 /nfs/dbraw/zinc/56/39/26/531563926.db2.gz DYOLJMBLHRKUDE-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(F)F ZINC000583692919 531589302 /nfs/dbraw/zinc/58/93/02/531589302.db2.gz NTMALSKXMLBRMK-VIFPVBQESA-N 1 0 399.135 1.912 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000416499117 531649702 /nfs/dbraw/zinc/64/97/02/531649702.db2.gz ZWQSJUGITBHYSE-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000619873300 531719509 /nfs/dbraw/zinc/71/95/09/531719509.db2.gz BGRMPUCZBWDIIB-CYBMUJFWSA-N 1 0 384.889 1.846 20 5 GDBDRO Cc1c(Br)cc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000269858679 531786929 /nfs/dbraw/zinc/78/69/29/531786929.db2.gz ACFCACZNGZODJR-UHFFFAOYSA-N 1 0 386.246 1.852 20 5 GDBDRO CC[NH+]1CCC(Nc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418826374 531847744 /nfs/dbraw/zinc/84/77/44/531847744.db2.gz KWEGMNISRBISNL-UHFFFAOYSA-N 1 0 376.198 1.913 20 5 GDBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000299188600 531965812 /nfs/dbraw/zinc/96/58/12/531965812.db2.gz COUQSOHWXZVGTL-HNNXBMFYSA-N 1 0 386.861 1.740 20 5 GDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598725414 531992683 /nfs/dbraw/zinc/99/26/83/531992683.db2.gz OTDLHMBPLMMMIP-TVQRCGJNSA-N 1 0 390.259 1.859 20 5 GDBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)[NH+](C)C ZINC000299543040 531998656 /nfs/dbraw/zinc/99/86/56/531998656.db2.gz BJDMJVPTUPSYKM-MRVPVSSYSA-N 1 0 377.182 1.879 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000599101532 532005155 /nfs/dbraw/zinc/00/51/55/532005155.db2.gz LJGKMSCWXJSHKK-LBPRGKRZSA-N 1 0 392.275 1.976 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420453097 532015886 /nfs/dbraw/zinc/01/58/86/532015886.db2.gz UHZRAGZUKJZIFF-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO COc1c(S(=O)(=O)N(C)CC[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000420469802 532020696 /nfs/dbraw/zinc/02/06/96/532020696.db2.gz KIKIPKPYLRVNGZ-UHFFFAOYSA-N 1 0 382.236 1.254 20 5 GDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301671006 532038346 /nfs/dbraw/zinc/03/83/46/532038346.db2.gz FKKRUHQXQZGNMD-CYBMUJFWSA-N 1 0 384.278 1.969 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301915536 532041468 /nfs/dbraw/zinc/04/14/68/532041468.db2.gz DJEQPESGGOUVMZ-LBPRGKRZSA-N 1 0 398.261 1.671 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc([N+](=O)[O-])c1Br ZINC000322172227 532069614 /nfs/dbraw/zinc/06/96/14/532069614.db2.gz NMTJNGWZCFZMMD-QWRGUYRKSA-N 1 0 384.230 1.950 20 5 GDBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286112717 532132873 /nfs/dbraw/zinc/13/28/73/532132873.db2.gz VJTFUCZESDNFRJ-UHFFFAOYSA-N 1 0 381.813 1.122 20 5 GDBDRO C[C@@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000286589875 532162414 /nfs/dbraw/zinc/16/24/14/532162414.db2.gz QQKJILOZHKCMQM-GJZGRUSLSA-N 1 0 399.245 1.412 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275347272 532288659 /nfs/dbraw/zinc/28/86/59/532288659.db2.gz GCKGXFCVPLGTMN-QWHCGFSZSA-N 1 0 393.462 1.409 20 5 GDBDRO C[NH+](C)CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736770081 598239330 /nfs/dbraw/zinc/23/93/30/598239330.db2.gz ZJKMVUQIWJQVIR-UHFFFAOYSA-N 1 0 384.400 1.722 20 5 GDBDRO COCC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000737008395 599294129 /nfs/dbraw/zinc/29/41/29/599294129.db2.gz SRZNFJKFWHUZCK-UHFFFAOYSA-N 1 0 398.427 1.846 20 5 GDBDRO C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820262825 599542049 /nfs/dbraw/zinc/54/20/49/599542049.db2.gz ZVGKZMLUEPKNCV-GFCCVEGCSA-N 1 0 397.443 1.371 20 5 GDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821625917 606645490 /nfs/dbraw/zinc/64/54/90/606645490.db2.gz YLFIHKIHZKJRBY-HNNXBMFYSA-N 1 0 386.460 1.381 20 5 GDBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000826190558 608300423 /nfs/dbraw/zinc/30/04/23/608300423.db2.gz FRWLELXDKQLQMK-QGZVFWFLSA-N 1 0 384.400 1.551 20 5 GDBDRO Cc1c(Br)c(N2CCN(C(=O)C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000541579308 650386943 /nfs/dbraw/zinc/38/69/43/650386943.db2.gz WLAPJHCYFCSTBG-UHFFFAOYSA-N 1 0 386.250 1.271 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000122551357 644689351 /nfs/dbraw/zinc/68/93/51/644689351.db2.gz CQNQBLXCTVLIOL-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000123307436 644695346 /nfs/dbraw/zinc/69/53/46/644695346.db2.gz SDFOQBRKAMYZTN-NXEZZACHSA-N 1 0 378.248 1.906 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000125180488 644712594 /nfs/dbraw/zinc/71/25/94/644712594.db2.gz GOJAYEGGNXOXLA-BDAKNGLRSA-N 1 0 378.248 1.906 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000125238213 644713162 /nfs/dbraw/zinc/71/31/62/644713162.db2.gz YBZWDOHGWVKQRY-DTWKUNHWSA-N 1 0 378.248 1.906 20 5 GDBDRO COCCN(C)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000171406312 644875123 /nfs/dbraw/zinc/87/51/23/644875123.db2.gz URUVOSLLVWKTBN-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000178938958 644928960 /nfs/dbraw/zinc/92/89/60/644928960.db2.gz SKFLXWLXWGGPGC-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370337246 645684694 /nfs/dbraw/zinc/68/46/94/645684694.db2.gz IRBFXOTZWFMYIK-KGLIPLIRSA-N 1 0 398.257 1.879 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000377930292 645857066 /nfs/dbraw/zinc/85/70/66/645857066.db2.gz YPFQEKKTILFPFR-UHFFFAOYSA-N 1 0 397.229 1.602 20 5 GDBDRO CSCCN(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000446853225 647295941 /nfs/dbraw/zinc/29/59/41/647295941.db2.gz OKIYRBFPZAOZNV-UHFFFAOYSA-N 1 0 376.504 1.234 20 5 GDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452384737 647322139 /nfs/dbraw/zinc/32/21/39/647322139.db2.gz CAQIEAFBSRQSCB-LBPRGKRZSA-N 1 0 386.246 1.934 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCCS2)c([N+](=O)[O-])c1 ZINC000465060341 647592187 /nfs/dbraw/zinc/59/21/87/647592187.db2.gz YLGNJLBRNDABJZ-GFCCVEGCSA-N 1 0 388.515 1.742 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000519711078 648636668 /nfs/dbraw/zinc/63/66/68/648636668.db2.gz HJLACCDUKXRBOJ-ZDUSSCGKSA-N 1 0 379.360 1.988 20 5 GDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591304204 652160734 /nfs/dbraw/zinc/16/07/34/652160734.db2.gz SFLDBQMIRPUQEI-ZANVPECISA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000592375103 652184447 /nfs/dbraw/zinc/18/44/47/652184447.db2.gz SPKMRXPDBCWFDP-GZMMTYOYSA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000592376155 652184475 /nfs/dbraw/zinc/18/44/75/652184475.db2.gz ZFFZZNDGZVPSAX-KWQFWETISA-N 1 0 383.348 1.350 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000592378839 652185092 /nfs/dbraw/zinc/18/50/92/652185092.db2.gz GDTXYKDOFVENIQ-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000594878104 652385024 /nfs/dbraw/zinc/38/50/24/652385024.db2.gz MJCYGMVFDIXIDC-WDEREUQCSA-N 1 0 384.845 1.111 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599110887 652479374 /nfs/dbraw/zinc/47/93/74/652479374.db2.gz FTEXDQYOARZRNE-UHFFFAOYSA-N 1 0 396.263 1.262 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601357385 652569897 /nfs/dbraw/zinc/56/98/97/652569897.db2.gz RMOWOJIOUITLTD-CYBMUJFWSA-N 1 0 390.531 1.515 20 5 GDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602574659 652641733 /nfs/dbraw/zinc/64/17/33/652641733.db2.gz XWKZKICXOTXHSR-WRWORJQWSA-N 1 0 375.166 1.680 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610409237 652883384 /nfs/dbraw/zinc/88/33/84/652883384.db2.gz BCMCIGIPKKKGGS-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000614548530 652960647 /nfs/dbraw/zinc/96/06/47/652960647.db2.gz FMOXZBLUCZIAEX-LLVKDONJSA-N 1 0 375.422 1.895 20 5 GDBDRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768805225 654431854 /nfs/dbraw/zinc/43/18/54/654431854.db2.gz MQJLWEBVSIEAEJ-UHFFFAOYSA-N 1 0 391.471 1.210 20 5 GDBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000700975548 654832017 /nfs/dbraw/zinc/83/20/17/654832017.db2.gz PIWSOFHTNIBDKM-GFCCVEGCSA-N 1 0 375.166 1.763 20 5 GDBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831973 655140133 /nfs/dbraw/zinc/14/01/33/655140133.db2.gz 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[NH3+]C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCO1 ZINC000818012201 655364589 /nfs/dbraw/zinc/36/45/89/655364589.db2.gz KBDJGEWRWLVFCT-VIFPVBQESA-N 1 0 376.182 1.686 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1Br ZINC000842480305 655366906 /nfs/dbraw/zinc/36/69/06/655366906.db2.gz UHBJVENQYBIJKU-PELKAZGASA-N 1 0 376.232 1.340 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000842481159 655367024 /nfs/dbraw/zinc/36/70/24/655367024.db2.gz FQQJPGJFLPQCFU-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1Br ZINC000842485791 655368119 /nfs/dbraw/zinc/36/81/19/655368119.db2.gz UROMRAOMNMJLQK-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)ccc1Br ZINC000842485988 655368277 /nfs/dbraw/zinc/36/82/77/655368277.db2.gz WTFFJCJSLUXOPE-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000842687631 655371259 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C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440423733 531339207 /nfs/dbraw/zinc/33/92/07/531339207.db2.gz QMGPCQGTWCQTLG-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000440342510 531333259 /nfs/dbraw/zinc/33/32/59/531333259.db2.gz NYNIRWZEKPZURF-SECBINFHSA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CS1 ZINC000413511330 531409101 /nfs/dbraw/zinc/40/91/01/531409101.db2.gz GRSSLBPMYFTQOQ-RYUDHWBXSA-N 1 0 388.515 1.741 20 5 GDBDRO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CS1 ZINC000413511331 531409057 /nfs/dbraw/zinc/40/90/57/531409057.db2.gz GRSSLBPMYFTQOQ-VXGBXAGGSA-N 1 0 388.515 1.741 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447244264 531422011 /nfs/dbraw/zinc/42/20/11/531422011.db2.gz KLAVPWOSUQYSNS-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447244266 531422405 /nfs/dbraw/zinc/42/24/05/531422405.db2.gz KLAVPWOSUQYSNS-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000267864238 531458128 /nfs/dbraw/zinc/45/81/28/531458128.db2.gz JOXQSJVYEHVSEX-CYBMUJFWSA-N 1 0 375.447 1.239 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000415374028 531480701 /nfs/dbraw/zinc/48/07/01/531480701.db2.gz IJDDISHTAASBQJ-SNVBAGLBSA-N 1 0 385.218 1.472 20 5 GDBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415392844 531482540 /nfs/dbraw/zinc/48/25/40/531482540.db2.gz YNCLCAOKDQLLIL-VIFPVBQESA-N 1 0 399.245 1.882 20 5 GDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000269276046 531633420 /nfs/dbraw/zinc/63/34/20/531633420.db2.gz OPBJMKLKFUTYOJ-LLVKDONJSA-N 1 0 377.182 1.913 20 5 GDBDRO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269493885 531680161 /nfs/dbraw/zinc/68/01/61/531680161.db2.gz UTCYQARSHKEEEK-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000590541984 531690486 /nfs/dbraw/zinc/69/04/86/531690486.db2.gz QUFHRPFNMGPLIH-CYBMUJFWSA-N 1 0 397.273 1.785 20 5 GDBDRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000592104796 531762976 /nfs/dbraw/zinc/76/29/76/531762976.db2.gz WXKCNJQXEQTGPN-UHFFFAOYSA-N 1 0 389.861 1.734 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000599100005 532004602 /nfs/dbraw/zinc/00/46/02/532004602.db2.gz DACVYYQUPASVFA-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000420452524 532015560 /nfs/dbraw/zinc/01/55/60/532015560.db2.gz JJDRNTWCHKVIRB-NSHDSACASA-N 1 0 394.247 1.014 20 5 GDBDRO CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)c3cc(C)sc3[N+](=O)[O-])C2)CC1 ZINC000601339759 532062441 /nfs/dbraw/zinc/06/24/41/532062441.db2.gz GYWQIDSSXVPFFJ-ZDUSSCGKSA-N 1 0 388.515 1.365 20 5 GDBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000285366230 532074186 /nfs/dbraw/zinc/07/41/86/532074186.db2.gz VTUBSYJJMYRGAZ-SWLSCSKDSA-N 1 0 390.483 1.314 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Br)c1 ZINC000427937733 532194742 /nfs/dbraw/zinc/19/47/42/532194742.db2.gz KFUHIRGGUNUBPT-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1 ZINC000738366718 599491649 /nfs/dbraw/zinc/49/16/49/599491649.db2.gz IDOQEKOKWSFMRI-UHFFFAOYSA-N 1 0 380.368 1.591 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826077872 608022999 /nfs/dbraw/zinc/02/29/99/608022999.db2.gz YECWWSXIPYCYPT-UHFFFAOYSA-N 1 0 389.351 1.041 20 5 GDBDRO CC(C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000119855790 644663245 /nfs/dbraw/zinc/66/32/45/644663245.db2.gz ZOVMIHAQQZEAEK-ZDUSSCGKSA-N 1 0 376.504 1.207 20 5 GDBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000124598062 644708892 /nfs/dbraw/zinc/70/88/92/644708892.db2.gz QCMJTWAOUPOKMP-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@]2(C[NH3+])CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193320280 645048626 /nfs/dbraw/zinc/04/86/26/645048626.db2.gz QHLCUDPATQTKEN-ZUZCIYMTSA-N 1 0 375.422 1.928 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262750139 645137112 /nfs/dbraw/zinc/13/71/12/645137112.db2.gz NCUXAUDCZWFDSG-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000370730069 645701087 /nfs/dbraw/zinc/70/10/87/645701087.db2.gz MBAWJGRXBDKCCH-YUMQZZPRSA-N 1 0 382.211 1.336 20 5 GDBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141007 651468994 /nfs/dbraw/zinc/46/89/94/651468994.db2.gz NLEJGVZOVKADGF-NEPJUHHUSA-N 1 0 398.217 1.133 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000579236273 651844228 /nfs/dbraw/zinc/84/42/28/651844228.db2.gz HBGYNYSMTGONLM-SSDOTTSWSA-N 1 0 377.182 1.927 20 5 GDBDRO CO[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000580828273 651941987 /nfs/dbraw/zinc/94/19/87/651941987.db2.gz BMRROTXJTGRVMB-OLZOCXBDSA-N 1 0 386.246 1.865 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593731265 652244890 /nfs/dbraw/zinc/24/48/90/652244890.db2.gz BWPOWQHKQYMKKQ-GXFFZTMASA-N 1 0 375.422 1.881 20 5 GDBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000594359385 652280465 /nfs/dbraw/zinc/28/04/65/652280465.db2.gz GYLNCNYHMCPRQH-SECBINFHSA-N 1 0 387.234 1.153 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000594450748 652287680 /nfs/dbraw/zinc/28/76/80/652287680.db2.gz YMNZWKUFIOSSAR-VXNVDRBHSA-N 1 0 380.348 1.267 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000594803202 652368068 /nfs/dbraw/zinc/36/80/68/652368068.db2.gz LXBMLNMCYLOZQF-LBPRGKRZSA-N 1 0 376.454 1.284 20 5 GDBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000594878102 652384934 /nfs/dbraw/zinc/38/49/34/652384934.db2.gz MJCYGMVFDIXIDC-MNOVXSKESA-N 1 0 384.845 1.111 20 5 GDBDRO Cc1c(Br)cc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597624427 652455104 /nfs/dbraw/zinc/45/51/04/652455104.db2.gz IUKIMJAKYGMGCW-ZDUSSCGKSA-N 1 0 397.273 1.785 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599108299 652478923 /nfs/dbraw/zinc/47/89/23/652478923.db2.gz WLOZQKNPYRBSQG-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599531617 652507268 /nfs/dbraw/zinc/50/72/68/652507268.db2.gz GRPVJGRSUNPHLC-UHFFFAOYSA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601376471 652572843 /nfs/dbraw/zinc/57/28/43/652572843.db2.gz HNDNVPILDCQJAW-RWMBFGLXSA-N 1 0 389.499 1.837 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610409375 652883409 /nfs/dbraw/zinc/88/34/09/652883409.db2.gz RUNGCAUHYIMZKF-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000782482966 654833062 /nfs/dbraw/zinc/83/30/62/654833062.db2.gz NEXXYGBRYFOCCM-VXGBXAGGSA-N 1 0 377.513 1.857 20 5 GDBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000810370411 655157196 /nfs/dbraw/zinc/15/71/96/655157196.db2.gz WMUKMIILYPAIRZ-KOLCDFICSA-N 1 0 399.245 1.895 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000841154019 655310978 /nfs/dbraw/zinc/31/09/78/655310978.db2.gz XGWZYVTUVXLYDA-UHFFFAOYSA-N 1 0 399.245 1.720 20 5 GDBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841192242 655313102 /nfs/dbraw/zinc/31/31/02/655313102.db2.gz PTFJJHJHGDFTHD-UHFFFAOYSA-N 1 0 387.234 1.739 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841225518 655315547 /nfs/dbraw/zinc/31/55/47/655315547.db2.gz AIUWMZCZVDHKIZ-BDAKNGLRSA-N 1 0 385.218 1.682 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841248884 655317226 /nfs/dbraw/zinc/31/72/26/655317226.db2.gz HXWHRXYNZGALDR-JOYOIKCWSA-N 1 0 397.229 1.506 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000842483944 655367704 /nfs/dbraw/zinc/36/77/04/655367704.db2.gz YGVNMYPTSHEUDE-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842731044 655374148 /nfs/dbraw/zinc/37/41/48/655374148.db2.gz UFLWJEOHVXDGTG-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000842763818 655375602 /nfs/dbraw/zinc/37/56/02/655375602.db2.gz IKWZQCWRGNSEPK-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842787137 655376851 /nfs/dbraw/zinc/37/68/51/655376851.db2.gz JFNDXMAOFZAKBN-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000842794948 655377690 /nfs/dbraw/zinc/37/76/90/655377690.db2.gz CSSJXHQVGLSKTD-UHFFFAOYSA-N 1 0 390.259 1.906 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C ZINC000842836325 655380439 /nfs/dbraw/zinc/38/04/39/655380439.db2.gz RBAAEVISBIACEJ-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842893730 655383237 /nfs/dbraw/zinc/38/32/37/655383237.db2.gz YXDILQMIRJBIGX-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO O=c1ccc(Br)cn1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819340145 655390221 /nfs/dbraw/zinc/39/02/21/655390221.db2.gz ZFASGZPCXQHWFB-AWEZNQCLSA-N 1 0 382.214 1.842 20 5 GDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000857233864 655731558 /nfs/dbraw/zinc/73/15/58/655731558.db2.gz HJOBYNDSJUSTAE-RNCFNFMXSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000858631662 655751455 /nfs/dbraw/zinc/75/14/55/655751455.db2.gz IDDLDRMNGRLQCJ-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194303 656184746 /nfs/dbraw/zinc/18/47/46/656184746.db2.gz APHDDPGOUAJJTI-NWDGAFQWSA-N 1 0 384.230 1.177 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164613977 719012578 /nfs/dbraw/zinc/01/25/78/719012578.db2.gz AYCFZVPOPOPCTM-UWJYBYFXSA-N 1 0 390.774 1.918 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001164833413 720325354 /nfs/dbraw/zinc/32/53/54/720325354.db2.gz WYIWBJWJBUDDBP-HUUCEWRRSA-N 1 0 388.472 1.484 20 5 GDBDRO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731477 720381163 /nfs/dbraw/zinc/38/11/63/720381163.db2.gz ZZPZUTLKMSTQGT-UONOGXRCSA-N 1 0 386.412 1.650 20 5 GDBDRO COc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731478 720382339 /nfs/dbraw/zinc/38/23/39/720382339.db2.gz ZZPZUTLKMSTQGT-ZIAGYGMSSA-N 1 0 386.412 1.650 20 5 GDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732049 720477904 /nfs/dbraw/zinc/47/79/04/720477904.db2.gz YIVKQZBPBDXBTE-CVEARBPZSA-N 1 0 397.439 1.900 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737418 720825044 /nfs/dbraw/zinc/82/50/44/720825044.db2.gz AYZHGZGSPKUFEN-BRWVUGGUSA-N 1 0 398.471 1.664 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164754233 720945661 /nfs/dbraw/zinc/94/56/61/720945661.db2.gz UXZQPTVZLNWHEM-UHFFFAOYSA-N 1 0 394.819 1.485 20 5 GDBDRO CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164932586 721886508 /nfs/dbraw/zinc/88/65/08/721886508.db2.gz JHVDCWFTZATPBC-CABCVRRESA-N 1 0 377.445 1.381 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164975505 722100505 /nfs/dbraw/zinc/10/05/05/722100505.db2.gz CBWDTCMTRVNDHP-AEFFLSMTSA-N 1 0 385.424 1.351 20 5 GDBDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001165000285 722250845 /nfs/dbraw/zinc/25/08/45/722250845.db2.gz NQBOHMKXOBZMJU-UHFFFAOYSA-N 1 0 395.851 1.723 20 5 GDBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826158359 947500382 /nfs/dbraw/zinc/50/03/82/947500382.db2.gz MAKWIHRDLZKKJW-UHFFFAOYSA-N 1 0 399.411 1.085 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CC[NH+](C)CC1 ZINC000173455287 530630917 /nfs/dbraw/zinc/63/09/17/530630917.db2.gz RHUIWPTWVUUFTB-LBPRGKRZSA-N 1 0 390.893 1.410 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176722800 530689092 /nfs/dbraw/zinc/68/90/92/530689092.db2.gz YDUMUQWICLZEOK-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000177284589 530700212 /nfs/dbraw/zinc/70/02/12/530700212.db2.gz PYYRQGJBHXBYBX-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177263811 530700237 /nfs/dbraw/zinc/70/02/37/530700237.db2.gz NXNIGFCISPYIOT-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187341973 530871521 /nfs/dbraw/zinc/87/15/21/530871521.db2.gz HGPOYVKRCUPIAJ-QWRGUYRKSA-N 1 0 375.422 1.894 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000119703227 530930627 /nfs/dbraw/zinc/93/06/27/530930627.db2.gz VXPWVVMSHZHSOV-UHFFFAOYSA-N 1 0 391.877 1.716 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000122528983 530972633 /nfs/dbraw/zinc/97/26/33/530972633.db2.gz XXMSQCKICFXKIA-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192921338 530975431 /nfs/dbraw/zinc/97/54/31/530975431.db2.gz PWUKFATUICURPT-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000125043215 531002798 /nfs/dbraw/zinc/00/27/98/531002798.db2.gz KTXOSDCERBHIEU-WRWORJQWSA-N 1 0 384.241 1.638 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261811825 531100136 /nfs/dbraw/zinc/10/01/36/531100136.db2.gz HMEWCNXAPMLHLS-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000261922380 531102880 /nfs/dbraw/zinc/10/28/80/531102880.db2.gz BUZJQFYSOVVGGZ-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262045126 531106447 /nfs/dbraw/zinc/10/64/47/531106447.db2.gz QNNUGCVWIIBLSQ-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000153264111 531164983 /nfs/dbraw/zinc/16/49/83/531164983.db2.gz IJHNAWYGDUVFRY-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000155249228 531197849 /nfs/dbraw/zinc/19/78/49/531197849.db2.gz XIPLZPLPKUHXPX-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CN(C)CCO1 ZINC000157446119 531206643 /nfs/dbraw/zinc/20/66/43/531206643.db2.gz ZTDLYSYGYYUGBE-IINYFYTJSA-N 1 0 386.246 1.735 20 5 GDBDRO CSC[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265462285 531255419 /nfs/dbraw/zinc/25/54/19/531255419.db2.gz AIYIUDFSMQZQAG-NSHDSACASA-N 1 0 376.504 1.598 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415348961 531477880 /nfs/dbraw/zinc/47/78/80/531477880.db2.gz WEJNDHBOZGMLPQ-QMMMGPOBSA-N 1 0 385.218 1.425 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280544199 531511823 /nfs/dbraw/zinc/51/18/23/531511823.db2.gz DNPRHTQUBOGFNG-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO COc1ccc(Br)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581879557 531522197 /nfs/dbraw/zinc/52/21/97/531522197.db2.gz OUUGJGIOIMMVRE-CYBMUJFWSA-N 1 0 385.218 1.713 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415860060 531544990 /nfs/dbraw/zinc/54/49/90/531544990.db2.gz BPHDNNQCRXQTCI-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415801195 531534261 /nfs/dbraw/zinc/53/42/61/531534261.db2.gz DYLADLJDXXJIBI-ONGXEEELSA-N 1 0 399.245 1.930 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccc(Br)cc2)c1 ZINC000583494907 531577938 /nfs/dbraw/zinc/57/79/38/531577938.db2.gz JXXBIPIAIVZQTF-CYBMUJFWSA-N 1 0 385.218 1.583 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281092462 531577988 /nfs/dbraw/zinc/57/79/88/531577988.db2.gz DHAVQXVZDXIFDF-LBPRGKRZSA-N 1 0 386.257 1.493 20 5 GDBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000269123246 531612259 /nfs/dbraw/zinc/61/22/59/531612259.db2.gz KOXQUARHGMOZLG-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000416491841 531645273 /nfs/dbraw/zinc/64/52/73/531645273.db2.gz AEEUCNHYMJEBMO-SKDRFNHKSA-N 1 0 379.360 1.938 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000451666502 531658437 /nfs/dbraw/zinc/65/84/37/531658437.db2.gz HEFICKZPRNUWLG-LLVKDONJSA-N 1 0 377.850 1.373 20 5 GDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])cc1Br ZINC000452374214 531774442 /nfs/dbraw/zinc/77/44/42/531774442.db2.gz WQINLHYVVGWLEO-GFCCVEGCSA-N 1 0 386.246 1.934 20 5 GDBDRO C[N@@H+](C[C@H](O)c1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000298526571 531899084 /nfs/dbraw/zinc/89/90/84/531899084.db2.gz WDJGJIBILFUMGZ-GJZGRUSLSA-N 1 0 399.245 1.580 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000599101100 532005357 /nfs/dbraw/zinc/00/53/57/532005357.db2.gz MFZHXERFOGUUJV-YPMHNXCESA-N 1 0 381.376 1.884 20 5 GDBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000576157777 532019206 /nfs/dbraw/zinc/01/92/06/532019206.db2.gz PNMMQQUYMKSEDR-QMMMGPOBSA-N 1 0 377.182 1.785 20 5 GDBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599705134 532038143 /nfs/dbraw/zinc/03/81/43/532038143.db2.gz CMOSQYAJPBESGL-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000470063715 532082008 /nfs/dbraw/zinc/08/20/08/532082008.db2.gz AATGYJFEDNXUCR-LLVKDONJSA-N 1 0 386.246 1.886 20 5 GDBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000375373843 532162932 /nfs/dbraw/zinc/16/29/32/532162932.db2.gz QIXYGSFFOVLUSY-UHFFFAOYSA-N 1 0 385.218 1.460 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)cc([N+](=O)[O-])c1F ZINC000288625463 532300031 /nfs/dbraw/zinc/30/00/31/532300031.db2.gz NCGMJKCWVSDKSK-UHFFFAOYSA-N 1 0 376.454 1.204 20 5 GDBDRO C[C@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000289324368 532321495 /nfs/dbraw/zinc/32/14/95/532321495.db2.gz UDLOWDGSNNCNJB-JTQLQIEISA-N 1 0 386.455 1.173 20 5 GDBDRO C[C@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824995285 608149983 /nfs/dbraw/zinc/14/99/83/608149983.db2.gz YDVMJLBQRXNKPG-ZFWWWQNUSA-N 1 0 386.460 1.237 20 5 GDBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1CCOC ZINC000825258339 608303185 /nfs/dbraw/zinc/30/31/85/608303185.db2.gz AKLITFHEIVYRQH-GFCCVEGCSA-N 1 0 376.421 1.107 20 5 GDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569420 608563743 /nfs/dbraw/zinc/56/37/43/608563743.db2.gz HUXNKSKJMKPRKZ-GXTWGEPZSA-N 1 0 384.396 1.865 20 5 GDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000543685754 650427529 /nfs/dbraw/zinc/42/75/29/650427529.db2.gz NZVHKGAGCDZOEX-UHFFFAOYSA-N 1 0 379.866 1.885 20 5 GDBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551476373 650607444 /nfs/dbraw/zinc/60/74/44/650607444.db2.gz SQKGVRBNDGOEMI-JTQLQIEISA-N 1 0 399.245 1.848 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000158929217 644838794 /nfs/dbraw/zinc/83/87/94/644838794.db2.gz JNHLTBSBEGMCOB-GFCCVEGCSA-N 1 0 391.877 1.682 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1I ZINC000178717765 644926313 /nfs/dbraw/zinc/92/63/13/644926313.db2.gz OTNBESORFFNJTG-QMMMGPOBSA-N 1 0 375.166 1.681 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000193283356 645048060 /nfs/dbraw/zinc/04/80/60/645048060.db2.gz GQPUFHPTIAOBGV-CYBMUJFWSA-N 1 0 375.422 1.928 20 5 GDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000193329705 645049309 /nfs/dbraw/zinc/04/93/09/645049309.db2.gz TUEUHNYSVGYWNR-VIFPVBQESA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000237101420 645082407 /nfs/dbraw/zinc/08/24/07/645082407.db2.gz MAKQLTVYGRHOLR-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262781939 645138405 /nfs/dbraw/zinc/13/84/05/645138405.db2.gz PGSAYQBOHMNTFG-LDYMZIIASA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000262805077 645140189 /nfs/dbraw/zinc/14/01/89/645140189.db2.gz WMMLOMJYSOXCAB-SCZZXKLOSA-N 1 0 378.248 1.634 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330540917 645372588 /nfs/dbraw/zinc/37/25/88/645372588.db2.gz RWBYQDQSXRWUQL-RYUDHWBXSA-N 1 0 379.891 1.914 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc(Cl)c(F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916661883 660198318 /nfs/dbraw/zinc/19/83/18/660198318.db2.gz ILYBGCBUJROWPR-ZJUUUORDSA-N 1 0 377.825 1.960 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000490041805 647984952 /nfs/dbraw/zinc/98/49/52/647984952.db2.gz HSQNSYDINGIWNO-SECBINFHSA-N 1 0 380.264 1.833 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000519649840 648632901 /nfs/dbraw/zinc/63/29/01/648632901.db2.gz HZTLGUWUMNEULJ-OCCSQVGLSA-N 1 0 389.861 1.765 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000574761200 651566373 /nfs/dbraw/zinc/56/63/73/651566373.db2.gz QTYSAZLJMXLFQR-SKDRFNHKSA-N 1 0 390.259 1.682 20 5 GDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000581309277 651970920 /nfs/dbraw/zinc/97/09/20/651970920.db2.gz IBLUCFDABPTIFM-SNVBAGLBSA-N 1 0 375.166 1.763 20 5 GDBDRO COc1c(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000582487419 651999391 /nfs/dbraw/zinc/99/93/91/651999391.db2.gz TUTBKNZQDLOGBL-SFYZADRCSA-N 1 0 396.263 1.688 20 5 GDBDRO COC[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582635063 652008328 /nfs/dbraw/zinc/00/83/28/652008328.db2.gz OGCYVKQLRANEGP-GFCCVEGCSA-N 1 0 380.182 1.686 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000589926623 652121237 /nfs/dbraw/zinc/12/12/37/652121237.db2.gz XVQKCXRPHOXLKU-BXKDBHETSA-N 1 0 390.259 1.682 20 5 GDBDRO O=C(CN1CC[C@H]2OCC[NH2+][C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000593728481 652244328 /nfs/dbraw/zinc/24/43/28/652244328.db2.gz LQPLNHGHJURWKN-ZIAGYGMSSA-N 1 0 399.245 1.359 20 5 GDBDRO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000594450745 652287716 /nfs/dbraw/zinc/28/77/16/652287716.db2.gz YMNZWKUFIOSSAR-APPZFPTMSA-N 1 0 380.348 1.267 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000599010697 652477617 /nfs/dbraw/zinc/47/76/17/652477617.db2.gz VNYMSZGJKDBRPF-CYBMUJFWSA-N 1 0 391.209 1.356 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000599110127 652478934 /nfs/dbraw/zinc/47/89/34/652478934.db2.gz HPBKTSJAYVUESR-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601357387 652570045 /nfs/dbraw/zinc/57/00/45/652570045.db2.gz RMOWOJIOUITLTD-ZDUSSCGKSA-N 1 0 390.531 1.515 20 5 GDBDRO Cc1cc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601396078 652575352 /nfs/dbraw/zinc/57/53/52/652575352.db2.gz AGCDJLLLEQALEW-LLVKDONJSA-N 1 0 376.504 1.269 20 5 GDBDRO COC1CC[NH+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768836834 654434755 /nfs/dbraw/zinc/43/47/55/654434755.db2.gz JLQAYNGVTCQUDD-UHFFFAOYSA-N 1 0 377.488 1.824 20 5 GDBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000831106476 654972359 /nfs/dbraw/zinc/97/23/59/654972359.db2.gz YTNGZEPNENLDLS-LBPRGKRZSA-N 1 0 384.241 1.247 20 5 GDBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000808222877 655101144 /nfs/dbraw/zinc/10/11/44/655101144.db2.gz OPXRUYZKULIGFN-SNVBAGLBSA-N 1 0 390.209 1.683 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000808334894 655106762 /nfs/dbraw/zinc/10/67/62/655106762.db2.gz ZIGCQBSUGZSMSM-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000841158762 655311204 /nfs/dbraw/zinc/31/12/04/655311204.db2.gz MCIDQOXMYDCOBT-UHFFFAOYSA-N 1 0 399.245 1.990 20 5 GDBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841219520 655315324 /nfs/dbraw/zinc/31/53/24/655315324.db2.gz CPSBNBCWRJHIPG-SECBINFHSA-N 1 0 385.218 1.554 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841262620 655318332 /nfs/dbraw/zinc/31/83/32/655318332.db2.gz WXXROQLMEYEMDU-VHSXEESVSA-N 1 0 399.245 1.848 20 5 GDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(F)F ZINC000842483844 655367715 /nfs/dbraw/zinc/36/77/15/655367715.db2.gz RRVBWZKARNANFO-QMMMGPOBSA-N 1 0 388.190 1.618 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842793015 655377559 /nfs/dbraw/zinc/37/75/59/655377559.db2.gz HAFWZEDDLTXUBD-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC000842816565 655379049 /nfs/dbraw/zinc/37/90/49/655379049.db2.gz YUPZHHNDCZWXHH-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842869903 655381649 /nfs/dbraw/zinc/38/16/49/655381649.db2.gz UFEQQIOFIJIBHR-NSHDSACASA-N 1 0 378.248 1.715 20 5 GDBDRO CN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000819180916 655387717 /nfs/dbraw/zinc/38/77/17/655387717.db2.gz YFOXUHLGCRIBEX-CQSZACIVSA-N 1 0 385.467 1.600 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCO1 ZINC000843356975 655393562 /nfs/dbraw/zinc/39/35/62/655393562.db2.gz LISKMLDOMNTUJJ-WRWORJQWSA-N 1 0 376.182 1.685 20 5 GDBDRO CCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000850582933 655559048 /nfs/dbraw/zinc/55/90/48/655559048.db2.gz IAOJTDPKMFEPGI-NSHDSACASA-N 1 0 399.245 1.848 20 5 GDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000857192816 655730382 /nfs/dbraw/zinc/73/03/82/655730382.db2.gz HOMQBBDSMWEFBR-OAHLLOKOSA-N 1 0 386.246 1.886 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865201855 655914583 /nfs/dbraw/zinc/91/45/83/655914583.db2.gz FTDRDFGQOMUSLV-LBPRGKRZSA-N 1 0 399.289 1.652 20 5 GDBDRO NC(=O)CC1CC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000922515250 656488022 /nfs/dbraw/zinc/48/80/22/656488022.db2.gz ZLQCSHLKRHECJH-UHFFFAOYSA-N 1 0 389.193 1.943 20 5 GDBDRO O=C1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC2(CC[NH2+]CC2)N1 ZINC001164389239 718808787 /nfs/dbraw/zinc/80/87/87/718808787.db2.gz HVMRHJXQEZUSLB-UHFFFAOYSA-N 1 0 375.763 1.247 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c(OC)n1)C2 ZINC001164807957 720067928 /nfs/dbraw/zinc/06/79/28/720067928.db2.gz GQNQFJZJBUPHCL-KBXCAEBGSA-N 1 0 377.445 1.578 20 5 GDBDRO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731476 720382226 /nfs/dbraw/zinc/38/22/26/720382226.db2.gz ZZPZUTLKMSTQGT-KGLIPLIRSA-N 1 0 386.412 1.650 20 5 GDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2c1 ZINC001164745734 720632138 /nfs/dbraw/zinc/63/21/38/720632138.db2.gz WFRZXYSXIUENEI-HUUCEWRRSA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1ccc2ncc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2c1 ZINC001164745735 720633303 /nfs/dbraw/zinc/63/33/03/720633303.db2.gz WFRZXYSXIUENEI-LSDHHAIUSA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164736844 720683518 /nfs/dbraw/zinc/68/35/18/720683518.db2.gz BNOLYXARKHGXJF-LSDHHAIUSA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164738164 720721496 /nfs/dbraw/zinc/72/14/96/720721496.db2.gz DWSBFNCNIBMBRK-CHWSQXEVSA-N 1 0 381.396 1.603 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853844 720833474 /nfs/dbraw/zinc/83/34/74/720833474.db2.gz PSJKPZGJHXWAOF-OLZOCXBDSA-N 1 0 385.852 1.520 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@@H]2C1 ZINC001164852953 720886738 /nfs/dbraw/zinc/88/67/38/720886738.db2.gz ARIRMEZZKXYNEX-PBHICJAKSA-N 1 0 387.440 1.712 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868616 721062365 /nfs/dbraw/zinc/06/23/65/721062365.db2.gz OQRUTZLDWQBECQ-CVEARBPZSA-N 1 0 385.424 1.873 20 5 GDBDRO COc1cc(C)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164770585 721119086 /nfs/dbraw/zinc/11/90/86/721119086.db2.gz RAOCQFKTNCQOSK-HOTGVXAUSA-N 1 0 386.456 1.999 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892226 721392922 /nfs/dbraw/zinc/39/29/22/721392922.db2.gz SEOSTPFHNYGUPR-VQIMIIECSA-N 1 0 375.473 1.755 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823635039 946460659 /nfs/dbraw/zinc/46/06/59/946460659.db2.gz PZMLNIYTJHXOAJ-ZIAGYGMSSA-N 1 0 376.398 1.021 20 5 GDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823651197 946462745 /nfs/dbraw/zinc/46/27/45/946462745.db2.gz IEUHKNWGBDMTNP-CABCVRRESA-N 1 0 388.432 1.350 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000158997377 530538663 /nfs/dbraw/zinc/53/86/63/530538663.db2.gz QEFHFUHTGFERDW-UHFFFAOYSA-N 1 0 377.850 1.373 20 5 GDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000178938593 530731476 /nfs/dbraw/zinc/73/14/76/530731476.db2.gz ISFNNSSXMIKYKX-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000182928485 530807185 /nfs/dbraw/zinc/80/71/85/530807185.db2.gz XNXWLSRPSUYXSS-LBPRGKRZSA-N 1 0 375.422 1.167 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000106895339 530851719 /nfs/dbraw/zinc/85/17/19/530851719.db2.gz YORJPQJDUOGOFP-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000106895298 530851899 /nfs/dbraw/zinc/85/18/99/530851899.db2.gz NOBBYKLBALTFAL-LLVKDONJSA-N 1 0 390.893 1.471 20 5 GDBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186979089 530865161 /nfs/dbraw/zinc/86/51/61/530865161.db2.gz HDUKIYWLGUNZJS-NSHDSACASA-N 1 0 375.422 1.895 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000119696451 530929804 /nfs/dbraw/zinc/92/98/04/530929804.db2.gz FYCGJUSAMZFBPR-UHFFFAOYSA-N 1 0 375.422 1.201 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120954274 530947726 /nfs/dbraw/zinc/94/77/26/530947726.db2.gz SJBSRVWEHONFEL-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+]1CCN(C)CC1 ZINC000122458364 530972319 /nfs/dbraw/zinc/97/23/19/530972319.db2.gz QDDNBJRSDVTJLP-LBPRGKRZSA-N 1 0 399.289 1.971 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000124043329 530990929 /nfs/dbraw/zinc/99/09/29/530990929.db2.gz WXDBERCWPDGCIR-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO Cc1sc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000124365851 530994481 /nfs/dbraw/zinc/99/44/81/530994481.db2.gz AOUADSRWTFJHNX-GFCCVEGCSA-N 1 0 377.488 1.336 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Br ZINC000195305745 531020017 /nfs/dbraw/zinc/02/00/17/531020017.db2.gz DBIVCPFCGHFVEY-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000262741530 531128158 /nfs/dbraw/zinc/12/81/58/531128158.db2.gz CIRHNPGYHAYCBP-QMMMGPOBSA-N 1 0 394.247 1.315 20 5 GDBDRO COc1c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262787416 531130595 /nfs/dbraw/zinc/13/05/95/531130595.db2.gz QRQLDZRRSIQPKD-ZETCQYMHSA-N 1 0 396.263 1.642 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000440435977 531338790 /nfs/dbraw/zinc/33/87/90/531338790.db2.gz IDKYCZACWHVBRH-NSHDSACASA-N 1 0 390.259 1.872 20 5 GDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440351917 531334883 /nfs/dbraw/zinc/33/48/83/531334883.db2.gz DWNBHRDBNGCRQX-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292307793 531347991 /nfs/dbraw/zinc/34/79/91/531347991.db2.gz VEBYIMRYCWKRBR-NSHDSACASA-N 1 0 390.849 1.152 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440809235 531344793 /nfs/dbraw/zinc/34/47/93/531344793.db2.gz SDPXNOXXJIEZDL-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO COCC(COC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449544198 531471748 /nfs/dbraw/zinc/47/17/48/531471748.db2.gz PUYJVCZUJUJDTL-UHFFFAOYSA-N 1 0 380.182 1.950 20 5 GDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415495423 531490893 /nfs/dbraw/zinc/49/08/93/531490893.db2.gz JFKSZPBHHVQHDD-SNVBAGLBSA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC2=CC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415595218 531499624 /nfs/dbraw/zinc/49/96/24/531499624.db2.gz JVGRONMMGBENCR-UHFFFAOYSA-N 1 0 397.229 1.640 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415646299 531506187 /nfs/dbraw/zinc/50/61/87/531506187.db2.gz MQTSLNDWGDDZJF-NXEZZACHSA-N 1 0 385.218 1.682 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415831060 531539612 /nfs/dbraw/zinc/53/96/12/531539612.db2.gz HAIJNRRTAGXQIJ-MWLCHTKSSA-N 1 0 399.245 1.848 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000619532386 531710188 /nfs/dbraw/zinc/71/01/88/531710188.db2.gz AYHXTPQDDXUIEC-LLVKDONJSA-N 1 0 399.245 1.815 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592103336 531761078 /nfs/dbraw/zinc/76/10/78/531761078.db2.gz HMNLGGLMKTWVFS-UHFFFAOYSA-N 1 0 375.472 1.450 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592332320 531780091 /nfs/dbraw/zinc/78/00/91/531780091.db2.gz WKRYLWDQIBYLSV-UFBFGSQYSA-N 1 0 389.193 1.927 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000367068356 531805403 /nfs/dbraw/zinc/80/54/03/531805403.db2.gz QGEVPYZZUJFZFR-UWVGGRQHSA-N 1 0 396.238 1.678 20 5 GDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592875424 531807487 /nfs/dbraw/zinc/80/74/87/531807487.db2.gz YATXNHWZVLINDH-JTQLQIEISA-N 1 0 399.245 1.549 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000271103229 531966903 /nfs/dbraw/zinc/96/69/03/531966903.db2.gz OAWXOGDUSIPMNW-NWDGAFQWSA-N 1 0 379.891 1.914 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573247729 531977773 /nfs/dbraw/zinc/97/77/73/531977773.db2.gz JGZIHYGYKXYTOC-UWVGGRQHSA-N 1 0 379.360 1.844 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000599102882 532006118 /nfs/dbraw/zinc/00/61/18/532006118.db2.gz GOFXZPKUEGWUMY-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000599102145 532006132 /nfs/dbraw/zinc/00/61/32/532006132.db2.gz GUSUUJLNPGFJII-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000285716895 532107910 /nfs/dbraw/zinc/10/79/10/532107910.db2.gz JPFKDGRQHVJYRN-KBPBESRZSA-N 1 0 384.230 1.902 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000377529515 532262974 /nfs/dbraw/zinc/26/29/74/532262974.db2.gz DOOGVRXKCKOQIG-AWEZNQCLSA-N 1 0 397.273 1.406 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275452363 532295654 /nfs/dbraw/zinc/29/56/54/532295654.db2.gz IUZYZBLBAOPTGF-ZIAGYGMSSA-N 1 0 389.474 1.934 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)c1 ZINC000392435091 532299457 /nfs/dbraw/zinc/29/94/57/532299457.db2.gz JZZHBDCYKMXXJR-CQSZACIVSA-N 1 0 397.229 1.639 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(CO)COC2)c1 ZINC000289483308 532325963 /nfs/dbraw/zinc/32/59/63/532325963.db2.gz KGWPDQFZUJXNRC-UHFFFAOYSA-N 1 0 378.166 1.298 20 5 GDBDRO C[C@@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H](C)O1 ZINC000820759158 607112661 /nfs/dbraw/zinc/11/26/61/607112661.db2.gz HYRLKDDJNKWHMZ-VXGBXAGGSA-N 1 0 376.421 1.471 20 5 GDBDRO COc1ccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826192830 608034838 /nfs/dbraw/zinc/03/48/38/608034838.db2.gz DHPJCCUCTIRZOU-UHFFFAOYSA-N 1 0 387.404 1.153 20 5 GDBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568597 608487040 /nfs/dbraw/zinc/48/70/40/608487040.db2.gz AXOKRLXYIBCGJY-WBMJQRKESA-N 1 0 384.396 1.865 20 5 GDBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826498638 609388639 /nfs/dbraw/zinc/38/86/39/609388639.db2.gz DDVDUYYTCWXTNX-INIZCTEOSA-N 1 0 395.423 1.954 20 5 GDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@@H]1[NH+](C)C ZINC000536814900 650281415 /nfs/dbraw/zinc/28/14/15/650281415.db2.gz LMNUEDKRKOTMHV-ZFWWWQNUSA-N 1 0 385.511 1.797 20 5 GDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2cc(Br)cn2)c1 ZINC000568859361 650974272 /nfs/dbraw/zinc/97/42/72/650974272.db2.gz IMXALGDAJCVAKD-CYBMUJFWSA-N 1 0 385.218 1.583 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236616309 645080674 /nfs/dbraw/zinc/08/06/74/645080674.db2.gz GEIQGIAEBQZQCJ-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@@H]1C ZINC000262803090 645140209 /nfs/dbraw/zinc/14/02/09/645140209.db2.gz VZNZWFAKMOWQGT-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000372221546 645793859 /nfs/dbraw/zinc/79/38/59/645793859.db2.gz JGHVQANBJBBXFU-VIFPVBQESA-N 1 0 394.247 1.014 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000378007605 645860907 /nfs/dbraw/zinc/86/09/07/645860907.db2.gz UAFYXLSWUVBOOT-VHSXEESVSA-N 1 0 379.360 1.844 20 5 GDBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000491346793 647993528 /nfs/dbraw/zinc/99/35/28/647993528.db2.gz OIJMXAIAEGNSMJ-UHFFFAOYSA-N 1 0 375.422 1.847 20 5 GDBDRO COC(=O)C1CC[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000512777956 648415125 /nfs/dbraw/zinc/41/51/25/648415125.db2.gz AYODITJVSJULCI-UHFFFAOYSA-N 1 0 391.471 1.210 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000577443117 651729803 /nfs/dbraw/zinc/72/98/03/651729803.db2.gz LEEPEMANWWVJCL-INIZCTEOSA-N 1 0 398.257 1.473 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nc3c(cccc3Br)[nH]2)c1 ZINC000581365609 651974967 /nfs/dbraw/zinc/97/49/67/651974967.db2.gz XTSXQJLSJLHRRF-JTQLQIEISA-N 1 0 395.217 1.581 20 5 GDBDRO COc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000589296175 652111007 /nfs/dbraw/zinc/11/10/07/652111007.db2.gz IYYYSZNOSLBEQR-UHFFFAOYSA-N 1 0 389.499 1.709 20 5 GDBDRO COc1cc(Br)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591761041 652165183 /nfs/dbraw/zinc/16/51/83/652165183.db2.gz FGIYYUKOPFGAAO-CYBMUJFWSA-N 1 0 385.218 1.713 20 5 GDBDRO CCO[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593730279 652244170 /nfs/dbraw/zinc/24/41/70/652244170.db2.gz HDGQHJUXDFNAOS-PRHODGIISA-N 1 0 398.268 1.886 20 5 GDBDRO CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000595101931 652391227 /nfs/dbraw/zinc/39/12/27/652391227.db2.gz GOHIHMWKNYTAJJ-GFCCVEGCSA-N 1 0 399.245 1.848 20 5 GDBDRO CN1CC[NH+](CC2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)CC1 ZINC000597693050 652456833 /nfs/dbraw/zinc/45/68/33/652456833.db2.gz ABJAIQPMWAUXLF-UHFFFAOYSA-N 1 0 397.273 1.677 20 5 GDBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)C1=O ZINC000601177504 652564836 /nfs/dbraw/zinc/56/48/36/652564836.db2.gz VMLGLLWZTLVFJH-GFCCVEGCSA-N 1 0 398.261 1.859 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000745942676 654751826 /nfs/dbraw/zinc/75/18/26/654751826.db2.gz QCEUYSLNVFJMDJ-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(F)F ZINC000706032601 654833829 /nfs/dbraw/zinc/83/38/29/654833829.db2.gz OMMPRRSOIVOHEL-VIFPVBQESA-N 1 0 399.135 1.912 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000834727973 655076984 /nfs/dbraw/zinc/07/69/84/655076984.db2.gz ZQHFMVHKRIPRJR-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808334813 655106722 /nfs/dbraw/zinc/10/67/22/655106722.db2.gz WSOZSIDIKCPFRW-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO CN(CC(=O)NC[C@H]1CC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795415987 655176106 /nfs/dbraw/zinc/17/61/06/655176106.db2.gz RYKQGIQJKQTVCQ-LLVKDONJSA-N 1 0 385.262 1.861 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000811543218 655199942 /nfs/dbraw/zinc/19/99/42/655199942.db2.gz SLKDFGGHCINKMS-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO CCCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000841169168 655311764 /nfs/dbraw/zinc/31/17/64/655311764.db2.gz SIXUNFACOXBRST-LLVKDONJSA-N 1 0 399.245 1.896 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC000842479982 655366781 /nfs/dbraw/zinc/36/67/81/655366781.db2.gz LBLLUTVOEYYAOE-PELKAZGASA-N 1 0 376.232 1.340 20 5 GDBDRO CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]CC1 ZINC000842482052 655367293 /nfs/dbraw/zinc/36/72/93/655367293.db2.gz WAEBWXAHIHMUQA-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000842483094 655367598 /nfs/dbraw/zinc/36/75/98/655367598.db2.gz GKTTUXLKRBZSLK-QMMMGPOBSA-N 1 0 388.190 1.618 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000842485211 655368088 /nfs/dbraw/zinc/36/80/88/655368088.db2.gz FHRBTXNYRWQZTA-NXEZZACHSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000842763814 655375631 /nfs/dbraw/zinc/37/56/31/655375631.db2.gz IKWZQCWRGNSEPK-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[C@H]1C ZINC000842837144 655380589 /nfs/dbraw/zinc/38/05/89/655380589.db2.gz KKYHILGXSMCMJG-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842847980 655380722 /nfs/dbraw/zinc/38/07/22/655380722.db2.gz NVZGDUQASWACII-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000846231964 655450235 /nfs/dbraw/zinc/45/02/35/655450235.db2.gz LIXPMFGFTVBRET-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000853116831 655632862 /nfs/dbraw/zinc/63/28/62/655632862.db2.gz MYIKWICHZNBFCN-RISCZKNCSA-N 1 0 375.212 1.782 20 5 GDBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[NH2+]1 ZINC000858633045 655751675 /nfs/dbraw/zinc/75/16/75/655751675.db2.gz VTZJMLDUUABGQT-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000866618396 655951794 /nfs/dbraw/zinc/95/17/94/655951794.db2.gz ZVCZRFHTEYSWHE-UHFFFAOYSA-N 1 0 377.850 1.594 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866828196 655967748 /nfs/dbraw/zinc/96/77/48/655967748.db2.gz VQDUXAWFQOFQGM-WDEREUQCSA-N 1 0 390.259 1.872 20 5 GDBDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000924990692 656690239 /nfs/dbraw/zinc/69/02/39/656690239.db2.gz WSLKWKQOKFRDNW-IUCAKERBSA-N 1 0 376.182 1.291 20 5 GDBDRO C[NH+](C)CCOCCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883639021 657303147 /nfs/dbraw/zinc/30/31/47/657303147.db2.gz DCROXYQEWMTLTD-UHFFFAOYSA-N 1 0 389.250 1.735 20 5 GDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000886890683 657719973 /nfs/dbraw/zinc/71/99/73/657719973.db2.gz PUCAVMOOVQEQJU-SECBINFHSA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756842 658033559 /nfs/dbraw/zinc/03/35/59/658033559.db2.gz RCZZOZKVXSKLQB-CHWSQXEVSA-N 1 0 399.245 1.424 20 5 GDBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000895324264 658686286 /nfs/dbraw/zinc/68/62/86/658686286.db2.gz PBJIMYBZVJRBCX-NSHDSACASA-N 1 0 389.193 1.814 20 5 GDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896556800 658789378 /nfs/dbraw/zinc/78/93/78/658789378.db2.gz PTCCZBKXIMMEAW-XHDPSFHLSA-N 1 0 399.289 1.650 20 5 GDBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000900803092 659146915 /nfs/dbraw/zinc/14/69/15/659146915.db2.gz HJQJWSFAUXVSDS-MFKMUULPSA-N 1 0 385.262 1.721 20 5 GDBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000599937064 677678991 /nfs/dbraw/zinc/67/89/91/677678991.db2.gz COFYQMYNAHWDNA-QWHCGFSZSA-N 1 0 398.257 1.947 20 5 GDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736841 720681330 /nfs/dbraw/zinc/68/13/30/720681330.db2.gz BNOLYXARKHGXJF-CABCVRRESA-N 1 0 393.407 1.670 20 5 GDBDRO COc1cc2ncnc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001164928596 721864499 /nfs/dbraw/zinc/86/44/99/721864499.db2.gz YWFSYYOHYYVWNS-JKSUJKDBSA-N 1 0 386.456 1.761 20 5 GDBDRO COc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164999841 722250555 /nfs/dbraw/zinc/25/05/55/722250555.db2.gz DBQJRQBSCSBFLY-UHFFFAOYSA-N 1 0 391.432 1.078 20 5 GDBDRO COc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ncc1[N+](=O)[O-] ZINC001165000592 722252683 /nfs/dbraw/zinc/25/26/83/722252683.db2.gz TTZXCSKEIDTCSQ-UHFFFAOYSA-N 1 0 390.444 1.683 20 5 GDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824570220 946810138 /nfs/dbraw/zinc/81/01/38/946810138.db2.gz MEPVVPXJCFEJDQ-DOMZBBRYSA-N 1 0 384.396 1.865 20 5 GDBDRO Cc1cc(NCCNc2ncccc2-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826271490 947787173 /nfs/dbraw/zinc/78/71/73/947787173.db2.gz UDFVFIKDIOBVQI-UHFFFAOYSA-N 1 0 391.395 1.972 20 5 GDBDRO CCC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1CCOC ZINC000166016784 530581724 /nfs/dbraw/zinc/58/17/24/530581724.db2.gz LYUYKHJLNCETRX-GFCCVEGCSA-N 1 0 377.488 1.778 20 5 GDBDRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000176920096 530693708 /nfs/dbraw/zinc/69/37/08/530693708.db2.gz SYHYLEUXDUVPRC-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000180080017 530757322 /nfs/dbraw/zinc/75/73/22/530757322.db2.gz WWABOBLGWMXRTA-LBPRGKRZSA-N 1 0 375.422 1.167 20 5 GDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+]1CCN(C)CC1 ZINC000180576506 530767871 /nfs/dbraw/zinc/76/78/71/530767871.db2.gz SXPLPSSGGXQAFB-GFCCVEGCSA-N 1 0 399.289 1.971 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000187008771 530866234 /nfs/dbraw/zinc/86/62/34/530866234.db2.gz HDBAIPSDXUZGGE-NSHDSACASA-N 1 0 375.422 1.705 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187177131 530868177 /nfs/dbraw/zinc/86/81/77/530868177.db2.gz MGNXEMCZLSQVDL-QWRGUYRKSA-N 1 0 375.422 1.846 20 5 GDBDRO C[C@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185334446 530840205 /nfs/dbraw/zinc/84/02/05/530840205.db2.gz DAMSFOQWETWAGQ-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO C[NH+]1CCN(CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000127625583 531031711 /nfs/dbraw/zinc/03/17/11/531031711.db2.gz XIEAAQXHSUPVDV-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000125056962 531002426 /nfs/dbraw/zinc/00/24/26/531002426.db2.gz ZJDVPGRCQHSFAC-KCJUWKMLSA-N 1 0 383.348 1.350 20 5 GDBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000237803131 531049968 /nfs/dbraw/zinc/04/99/68/531049968.db2.gz XUGUYFCONJBSBP-MRVPVSSYSA-N 1 0 375.166 1.681 20 5 GDBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000238047452 531053998 /nfs/dbraw/zinc/05/39/98/531053998.db2.gz ZMWAJFKLVJIXEG-SECBINFHSA-N 1 0 375.166 1.763 20 5 GDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000248645028 531080425 /nfs/dbraw/zinc/08/04/25/531080425.db2.gz SEHKNBRRUKSIDH-JMJZKYOTSA-N 1 0 390.259 1.715 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000261811827 531100120 /nfs/dbraw/zinc/10/01/20/531100120.db2.gz HMEWCNXAPMLHLS-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154347997 531181943 /nfs/dbraw/zinc/18/19/43/531181943.db2.gz HOTOIICOULUSFB-ZDUSSCGKSA-N 1 0 390.259 1.731 20 5 GDBDRO C[C@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000290190096 531214463 /nfs/dbraw/zinc/21/44/63/531214463.db2.gz CBGWUOCNHWLAJS-JTQLQIEISA-N 1 0 386.455 1.173 20 5 GDBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000291259521 531281881 /nfs/dbraw/zinc/28/18/81/531281881.db2.gz KMCSOCGIMMGGQS-UHFFFAOYSA-N 1 0 385.218 1.460 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000440332583 531333744 /nfs/dbraw/zinc/33/37/44/531333744.db2.gz AVENCPADPVFXIN-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440358399 531334923 /nfs/dbraw/zinc/33/49/23/531334923.db2.gz SOVGQXLKYGVEMZ-SNVBAGLBSA-N 1 0 378.248 1.859 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000440842884 531346948 /nfs/dbraw/zinc/34/69/48/531346948.db2.gz GPHPBBHIIHZCDQ-ZDUSSCGKSA-N 1 0 375.422 1.799 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC([NH3+])CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415284422 531471507 /nfs/dbraw/zinc/47/15/07/531471507.db2.gz PJWDQUCHGZEAJQ-UHFFFAOYSA-N 1 0 385.218 1.554 20 5 GDBDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000556563621 531498326 /nfs/dbraw/zinc/49/83/26/531498326.db2.gz NLQVCRMJDZEVBU-UHFFFAOYSA-N 1 0 399.245 1.754 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000415872222 531548032 /nfs/dbraw/zinc/54/80/32/531548032.db2.gz RWWMSYLJNTYRJI-LLVKDONJSA-N 1 0 399.245 1.863 20 5 GDBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1I ZINC000269108708 531610917 /nfs/dbraw/zinc/61/09/17/531610917.db2.gz GYUBTZREZOLICZ-UHFFFAOYSA-N 1 0 375.166 1.681 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416446951 531618775 /nfs/dbraw/zinc/61/87/75/531618775.db2.gz QOGUDRVAQZUWMW-LBPRGKRZSA-N 1 0 385.364 1.205 20 5 GDBDRO C[N@@H+]1CCN(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000281717773 531651655 /nfs/dbraw/zinc/65/16/55/531651655.db2.gz VBGHLLOJUJDHHS-UHFFFAOYSA-N 1 0 376.504 1.498 20 5 GDBDRO O=C([C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000591425706 531723309 /nfs/dbraw/zinc/72/33/09/531723309.db2.gz KLHZNCAMHCEZJE-NSHDSACASA-N 1 0 398.261 1.401 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591677870 531733441 /nfs/dbraw/zinc/73/34/41/531733441.db2.gz VBGUPAJBIOOPCO-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000452045800 531758409 /nfs/dbraw/zinc/75/84/09/531758409.db2.gz GTIDETRIETZERP-UHFFFAOYSA-N 1 0 376.504 1.351 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1F ZINC000595122415 531866294 /nfs/dbraw/zinc/86/62/94/531866294.db2.gz ZMHLPQXLZNSCSP-RKDXNWHRSA-N 1 0 382.211 1.417 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)c(Br)c1 ZINC000595121214 531866990 /nfs/dbraw/zinc/86/69/90/531866990.db2.gz LAEUOFBEEOBJBS-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367778330 531861804 /nfs/dbraw/zinc/86/18/04/531861804.db2.gz KPEKVJWRGSQUJA-IUCAKERBSA-N 1 0 382.211 1.336 20 5 GDBDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000419837089 531976891 /nfs/dbraw/zinc/97/68/91/531976891.db2.gz ZTCTUFYGRIXXGX-CHWSQXEVSA-N 1 0 394.209 1.811 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)c1 ZINC000598990217 532001585 /nfs/dbraw/zinc/00/15/85/532001585.db2.gz KRQJVCLMROWKIB-CHWSQXEVSA-N 1 0 392.193 1.829 20 5 GDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000599085984 532004043 /nfs/dbraw/zinc/00/40/43/532004043.db2.gz GPUTXYQAOOLNHU-GFCCVEGCSA-N 1 0 388.515 1.546 20 5 GDBDRO C[NH+](C)CCN1CCC(Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000271359138 532006281 /nfs/dbraw/zinc/00/62/81/532006281.db2.gz YBURMDOKEWXFSJ-UHFFFAOYSA-N 1 0 376.504 1.498 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420447636 532014119 /nfs/dbraw/zinc/01/41/19/532014119.db2.gz JYFVBGGTBPWOOZ-PSASIEDQSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000420479289 532021716 /nfs/dbraw/zinc/02/17/16/532021716.db2.gz MIRPWNGVEDYBIU-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000599480325 532031649 /nfs/dbraw/zinc/03/16/49/532031649.db2.gz BHESEDUPBBNNCK-GFCCVEGCSA-N 1 0 399.289 1.971 20 5 GDBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000602535108 532080445 /nfs/dbraw/zinc/08/04/45/532080445.db2.gz NCFOXAQFJBZUIX-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286464410 532152167 /nfs/dbraw/zinc/15/21/67/532152167.db2.gz OUHBVLRZNCNMMH-UHFFFAOYSA-N 1 0 394.856 1.303 20 5 GDBDRO CC[N@H+](CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000274539476 532216772 /nfs/dbraw/zinc/21/67/72/532216772.db2.gz KKEWLNRYYVQRIZ-UHFFFAOYSA-N 1 0 378.198 1.540 20 5 GDBDRO CCO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000405622246 532306609 /nfs/dbraw/zinc/30/66/09/532306609.db2.gz WILAYBOIECHANG-QMTHXVAHSA-N 1 0 377.850 1.541 20 5 GDBDRO O=[N+]([O-])c1cnc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738375028 599044421 /nfs/dbraw/zinc/04/44/21/599044421.db2.gz XZOJHZZHANPLEA-SFHVURJKSA-N 1 0 396.411 1.219 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000738359429 599044480 /nfs/dbraw/zinc/04/44/80/599044480.db2.gz RGGKBUUVBOVXFZ-IBGZPJMESA-N 1 0 395.423 1.824 20 5 GDBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)nnc1C1CC[NH2+]CC1 ZINC000737591473 599266632 /nfs/dbraw/zinc/26/66/32/599266632.db2.gz FUEDKDVUUTXNOI-UHFFFAOYSA-N 1 0 387.429 1.522 20 5 GDBDRO CC[C@H]1C[N@H+](CCn2cccn2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736409515 598673118 /nfs/dbraw/zinc/67/31/18/598673118.db2.gz WCCSTEQIKWGOFG-AWEZNQCLSA-N 1 0 397.443 1.572 20 5 GDBDRO C[C@H](O)C[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000820480354 599530568 /nfs/dbraw/zinc/53/05/68/599530568.db2.gz KFQDFYCVVDCJFM-NEPJUHHUSA-N 1 0 398.427 1.214 20 5 GDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000826033751 607451829 /nfs/dbraw/zinc/45/18/29/607451829.db2.gz JGQMEXVDQZJUBE-HNNXBMFYSA-N 1 0 386.460 1.381 20 5 GDBDRO CC(C)OCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820146329 606163973 /nfs/dbraw/zinc/16/39/73/606163973.db2.gz KLYCHSJSKJHXCR-UHFFFAOYSA-N 1 0 376.421 1.471 20 5 GDBDRO C[C@@H]1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824995283 608150003 /nfs/dbraw/zinc/15/00/03/608150003.db2.gz YDVMJLBQRXNKPG-HIFRSBDPSA-N 1 0 386.460 1.237 20 5 GDBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824994586 608151031 /nfs/dbraw/zinc/15/10/31/608151031.db2.gz VRXHPGLEAVXMFZ-CJNGLKHVSA-N 1 0 386.460 1.237 20 5 GDBDRO C[C@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824565069 608468457 /nfs/dbraw/zinc/46/84/57/608468457.db2.gz YNJZDTRQFJMHHZ-LBPRGKRZSA-N 1 0 381.396 1.742 20 5 GDBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568594 608487090 /nfs/dbraw/zinc/48/70/90/608487090.db2.gz AXOKRLXYIBCGJY-BLLLJJGKSA-N 1 0 384.396 1.865 20 5 GDBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826500606 609388822 /nfs/dbraw/zinc/38/88/22/609388822.db2.gz FBMMYNHBFDIFOV-HNNXBMFYSA-N 1 0 396.411 1.349 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(F)F ZINC000564570306 650761744 /nfs/dbraw/zinc/76/17/44/650761744.db2.gz UCDUOWSZSUQIGX-SECBINFHSA-N 1 0 399.135 1.912 20 5 GDBDRO COc1cc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000565276010 650790246 /nfs/dbraw/zinc/79/02/46/650790246.db2.gz LORJYAULKPBZQR-UHFFFAOYSA-N 1 0 389.499 1.709 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000158929114 644838823 /nfs/dbraw/zinc/83/88/23/644838823.db2.gz JNHLTBSBEGMCOB-LBPRGKRZSA-N 1 0 391.877 1.682 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000193283346 645048127 /nfs/dbraw/zinc/04/81/27/645048127.db2.gz GQPUFHPTIAOBGV-ZDUSSCGKSA-N 1 0 375.422 1.928 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330540918 645372624 /nfs/dbraw/zinc/37/26/24/645372624.db2.gz RWBYQDQSXRWUQL-VXGBXAGGSA-N 1 0 379.891 1.914 20 5 GDBDRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000916702919 660199085 /nfs/dbraw/zinc/19/90/85/660199085.db2.gz HZKUJFQAEXABQG-UHFFFAOYSA-N 1 0 385.837 1.527 20 5 GDBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000461910107 647503749 /nfs/dbraw/zinc/50/37/49/647503749.db2.gz YJKAFKDZNFTBII-NSHDSACASA-N 1 0 378.248 1.715 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000469350591 647707047 /nfs/dbraw/zinc/70/70/47/647707047.db2.gz WZLGEVKJUZKOHE-NSHDSACASA-N 1 0 376.504 1.269 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC([NH+](C)C)C1 ZINC000513613613 648436712 /nfs/dbraw/zinc/43/67/12/648436712.db2.gz QYDVCGIRWSQLOK-UHFFFAOYSA-N 1 0 389.193 1.894 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cc(Br)ccc2F)c1 ZINC000518758071 648608792 /nfs/dbraw/zinc/60/87/92/648608792.db2.gz QMKJBXXFZVCUKQ-ZDUSSCGKSA-N 1 0 387.209 1.886 20 5 GDBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CCC1 ZINC000520225380 648646472 /nfs/dbraw/zinc/64/64/72/648646472.db2.gz FRILESAHPLVPBW-UHFFFAOYSA-N 1 0 375.166 1.811 20 5 GDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000573940080 651503603 /nfs/dbraw/zinc/50/36/03/651503603.db2.gz ARZPUWQHXQOPPU-UHFFFAOYSA-N 1 0 399.245 1.896 20 5 GDBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000577476992 651731249 /nfs/dbraw/zinc/73/12/49/651731249.db2.gz MCTULPVLHZMSRZ-ZDUSSCGKSA-N 1 0 388.511 1.995 20 5 GDBDRO CO[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C[NH3+])C1 ZINC000580828272 651941894 /nfs/dbraw/zinc/94/18/94/651941894.db2.gz BMRROTXJTGRVMB-CHWSQXEVSA-N 1 0 386.246 1.865 20 5 GDBDRO C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000582316304 651988482 /nfs/dbraw/zinc/98/84/82/651988482.db2.gz KBKFVWOKYIKXOW-NXEZZACHSA-N 1 0 399.245 1.847 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000592374318 652183910 /nfs/dbraw/zinc/18/39/10/652183910.db2.gz LIDLHIGQNPBMLI-LDYMZIIASA-N 1 0 394.247 1.094 20 5 GDBDRO C[NH+](C)CCN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1=O ZINC000593051209 652209219 /nfs/dbraw/zinc/20/92/19/652209219.db2.gz XUFYXEYIAPKCMD-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593920056 652261954 /nfs/dbraw/zinc/26/19/54/652261954.db2.gz JUGPZWSNVWBNBY-WCBMZHEXSA-N 1 0 378.248 1.858 20 5 GDBDRO COCc1csc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594916739 652387179 /nfs/dbraw/zinc/38/71/79/652387179.db2.gz BODISFSDHRIMLQ-UHFFFAOYSA-N 1 0 385.467 1.871 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000599896278 652517211 /nfs/dbraw/zinc/51/72/11/652517211.db2.gz PAGFUHYITUJNLJ-KCJUWKMLSA-N 1 0 399.245 1.861 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000599900492 652517536 /nfs/dbraw/zinc/51/75/36/652517536.db2.gz SSQBXCPVVOJLDE-WDEREUQCSA-N 1 0 399.245 1.861 20 5 GDBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602576606 652642099 /nfs/dbraw/zinc/64/20/99/652642099.db2.gz PFGMOSSHOTXURH-QMMMGPOBSA-N 1 0 398.304 1.790 20 5 GDBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)C1 ZINC000738210760 654651442 /nfs/dbraw/zinc/65/14/42/654651442.db2.gz FIWNSICIRTUKMR-GFCCVEGCSA-N 1 0 387.282 1.223 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810356884 655156204 /nfs/dbraw/zinc/15/62/04/655156204.db2.gz YVFLPGYIRPNFIK-VIFPVBQESA-N 1 0 387.234 1.752 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000815703683 655302644 /nfs/dbraw/zinc/30/26/44/655302644.db2.gz KSQINJFYNRCQCE-ZANVPECISA-N 1 0 397.229 1.458 20 5 GDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162601 655311382 /nfs/dbraw/zinc/31/13/82/655311382.db2.gz XHSARHKUKWNRPP-UHFFFAOYSA-N 1 0 386.250 1.774 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000841175772 655312170 /nfs/dbraw/zinc/31/21/70/655312170.db2.gz IWASZSAXWGNLBY-ONGXEEELSA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000841175770 655312173 /nfs/dbraw/zinc/31/21/73/655312173.db2.gz IWASZSAXWGNLBY-MWLCHTKSSA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000841209463 655314231 /nfs/dbraw/zinc/31/42/31/655314231.db2.gz WINWERWYYNKITL-NXEZZACHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841216505 655314974 /nfs/dbraw/zinc/31/49/74/655314974.db2.gz HOQOLJPABVTVDC-KWQFWETISA-N 1 0 385.218 1.410 20 5 GDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841227659 655315778 /nfs/dbraw/zinc/31/57/78/655315778.db2.gz LIBCIIWTRKXLJX-SKDRFNHKSA-N 1 0 399.245 1.882 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841262618 655318322 /nfs/dbraw/zinc/31/83/22/655318322.db2.gz WXXROQLMEYEMDU-NXEZZACHSA-N 1 0 399.245 1.848 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842480339 655366896 /nfs/dbraw/zinc/36/68/96/655366896.db2.gz UZVIWBFMGGLKPT-WPRPVWTQSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842480317 655366928 /nfs/dbraw/zinc/36/69/28/655366928.db2.gz UZVIWBFMGGLKPT-PSASIEDQSA-N 1 0 378.248 1.763 20 5 GDBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CC[NH3+])C(F)F)c(C)c1[N+](=O)[O-] ZINC000842484283 655367820 /nfs/dbraw/zinc/36/78/20/655367820.db2.gz ZPXLBADPNAHVEZ-QMMMGPOBSA-N 1 0 382.345 1.381 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842787555 655377018 /nfs/dbraw/zinc/37/70/18/655377018.db2.gz QHEQAVLZIWNRBT-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842791687 655377270 /nfs/dbraw/zinc/37/72/70/655377270.db2.gz YZFLDVGGRSCQGL-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000843098300 655388424 /nfs/dbraw/zinc/38/84/24/655388424.db2.gz NXYBRCBEJHOBFX-KBPBESRZSA-N 1 0 386.451 1.114 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)c(N)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000823784004 655467944 /nfs/dbraw/zinc/46/79/44/655467944.db2.gz OSZCIUBKTUVZEH-KOLCDFICSA-N 1 0 383.246 1.963 20 5 GDBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849429486 655533820 /nfs/dbraw/zinc/53/38/20/655533820.db2.gz RLNXOASWRGYRMM-UHFFFAOYSA-N 1 0 378.882 1.410 20 5 GDBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000857235761 655731665 /nfs/dbraw/zinc/73/16/65/655731665.db2.gz UNAIINFPVNKZBV-TVQRCGJNSA-N 1 0 390.259 1.859 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000858631613 655751501 /nfs/dbraw/zinc/75/15/01/655751501.db2.gz GPPJWSQIVQXPBO-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865706715 655924690 /nfs/dbraw/zinc/92/46/90/655924690.db2.gz ZZXMODUAKVTKPN-GFCCVEGCSA-N 1 0 385.262 1.262 20 5 GDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000869780684 656207503 /nfs/dbraw/zinc/20/75/03/656207503.db2.gz OZPRYSKURDPNHE-JTQLQIEISA-N 1 0 386.246 1.932 20 5 GDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000913679060 660091942 /nfs/dbraw/zinc/09/19/42/660091942.db2.gz KFLYJWFNFPTNHH-UHFFFAOYSA-N 1 0 386.246 1.886 20 5 GDBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164682823 719651873 /nfs/dbraw/zinc/65/18/73/719651873.db2.gz SXHLXTKOALPHMW-UHFFFAOYSA-N 1 0 388.428 1.448 20 5 GDBDRO CCOc1nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164738205 720735910 /nfs/dbraw/zinc/73/59/10/720735910.db2.gz FCJXROBGPVCVRH-UONOGXRCSA-N 1 0 386.412 1.520 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ccc([N+](=O)[O-])c(N)n4)C3)O2)CC1 ZINC001164883463 721419761 /nfs/dbraw/zinc/41/97/61/721419761.db2.gz AAKGQJCLFWDLNJ-BEFAXECRSA-N 1 0 390.488 1.337 20 5 GDBDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001165010585 721740154 /nfs/dbraw/zinc/74/01/54/721740154.db2.gz OYZAIVVIUFYFGS-UHFFFAOYSA-N 1 0 386.456 1.994 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164981669 722112276 /nfs/dbraw/zinc/11/22/76/722112276.db2.gz UTMQBGCEZMJCRE-FUHWJXTLSA-N 1 0 384.440 1.816 20 5 GDBDRO Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971160 722152011 /nfs/dbraw/zinc/15/20/11/722152011.db2.gz AXDHXKVHINMGRE-SJLPKXTDSA-N 1 0 384.440 1.816 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000012141181 530555016 /nfs/dbraw/zinc/55/50/16/530555016.db2.gz XICHHSKQTFMRTD-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161409910 530559871 /nfs/dbraw/zinc/55/98/71/530559871.db2.gz UWJIJWSAFYFXTR-LBPRGKRZSA-N 1 0 385.364 1.205 20 5 GDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171426990 530599320 /nfs/dbraw/zinc/59/93/20/530599320.db2.gz IMOWVQAAJBAHQN-JTQLQIEISA-N 1 0 378.248 1.682 20 5 GDBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000195171041 531016850 /nfs/dbraw/zinc/01/68/50/531016850.db2.gz DCIZUHVZRHQGQX-LBPRGKRZSA-N 1 0 389.499 1.627 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(Br)s2)c1 ZINC000226410058 531031470 /nfs/dbraw/zinc/03/14/70/531031470.db2.gz KABLFGIFYDDYMM-JTQLQIEISA-N 1 0 375.248 1.809 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000237725201 531049490 /nfs/dbraw/zinc/04/94/90/531049490.db2.gz XAHCWKRJJPBMHQ-UHFFFAOYSA-N 1 0 378.248 1.696 20 5 GDBDRO [NH3+]CCCOC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237828038 531050981 /nfs/dbraw/zinc/05/09/81/531050981.db2.gz DPWBICVLTISRBE-UHFFFAOYSA-N 1 0 377.850 1.767 20 5 GDBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000262576922 531124653 /nfs/dbraw/zinc/12/46/53/531124653.db2.gz KKWAIIMFPDLLOI-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 ZINC000264798576 531201050 /nfs/dbraw/zinc/20/10/50/531201050.db2.gz BVVOSCLNKVHFAG-UHFFFAOYSA-N 1 0 388.515 1.378 20 5 GDBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000157571997 531206855 /nfs/dbraw/zinc/20/68/55/531206855.db2.gz RCAOIUJZGCWCKE-UHFFFAOYSA-N 1 0 375.166 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000440343052 531333807 /nfs/dbraw/zinc/33/38/07/531333807.db2.gz SXBDGZBNSOQAAA-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440349085 531335060 /nfs/dbraw/zinc/33/50/60/531335060.db2.gz LWGIEMIXKPTGDY-VIFPVBQESA-N 1 0 378.248 1.717 20 5 GDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000440422168 531339259 /nfs/dbraw/zinc/33/92/59/531339259.db2.gz RELOBOOLBLXTAL-UHFFFAOYSA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440804233 531344829 /nfs/dbraw/zinc/34/48/29/531344829.db2.gz NLQFQOVOKXOUBK-KCJUWKMLSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447244270 531422122 /nfs/dbraw/zinc/42/21/22/531422122.db2.gz KLAVPWOSUQYSNS-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447244161 531422376 /nfs/dbraw/zinc/42/23/76/531422376.db2.gz JMVWQPQZILIYLF-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000447249086 531423196 /nfs/dbraw/zinc/42/31/96/531423196.db2.gz WJEPIMNFXNGFAW-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000279565649 531440748 /nfs/dbraw/zinc/44/07/48/531440748.db2.gz UKRRFGGXICWYIX-GFCCVEGCSA-N 1 0 388.515 1.600 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415329885 531475441 /nfs/dbraw/zinc/47/54/41/531475441.db2.gz DXDKFRPRNDEHTF-SECBINFHSA-N 1 0 385.218 1.412 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415329887 531475758 /nfs/dbraw/zinc/47/57/58/531475758.db2.gz DXDKFRPRNDEHTF-VIFPVBQESA-N 1 0 385.218 1.412 20 5 GDBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415425656 531485184 /nfs/dbraw/zinc/48/51/84/531485184.db2.gz KNLRURISKJRFDV-NSHDSACASA-N 1 0 387.234 1.785 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000280644434 531521516 /nfs/dbraw/zinc/52/15/16/531521516.db2.gz VGVZOZFHOVADOX-LLVKDONJSA-N 1 0 375.422 1.894 20 5 GDBDRO COCCN(C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295236217 531546134 /nfs/dbraw/zinc/54/61/34/531546134.db2.gz ZSAQQOSSDUAOEV-UHFFFAOYSA-N 1 0 386.257 1.758 20 5 GDBDRO C[N@@H+](C[C@H](O)c1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000295330731 531561106 /nfs/dbraw/zinc/56/11/06/531561106.db2.gz MUGWOCCPJPECQL-WFASDCNBSA-N 1 0 399.245 1.580 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000366305520 531735264 /nfs/dbraw/zinc/73/52/64/531735264.db2.gz KEPFSWFUNMWDHK-BXKDBHETSA-N 1 0 379.360 1.986 20 5 GDBDRO C[C@@H]1SCC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000592001203 531748431 /nfs/dbraw/zinc/74/84/31/531748431.db2.gz QFWYDLVOBLCACP-WCQYABFASA-N 1 0 388.515 1.741 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000592367810 531782556 /nfs/dbraw/zinc/78/25/56/531782556.db2.gz WNWYBYUEMRZNIC-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO C[NH+](C)CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000298086381 531849713 /nfs/dbraw/zinc/84/97/13/531849713.db2.gz LDLYARUYOVXYCC-NSHDSACASA-N 1 0 375.472 1.237 20 5 GDBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000595118834 531866462 /nfs/dbraw/zinc/86/64/62/531866462.db2.gz HGYKOWLGSNDYJR-SSDOTTSWSA-N 1 0 396.263 1.561 20 5 GDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000298395022 531883663 /nfs/dbraw/zinc/88/36/63/531883663.db2.gz LPABZCWXLHHEFB-KYOSRNDESA-N 1 0 389.499 1.372 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000598979526 532001693 /nfs/dbraw/zinc/00/16/93/532001693.db2.gz YVQAJKSHOOUSKU-UHFFFAOYSA-N 1 0 385.262 1.677 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301977226 532043671 /nfs/dbraw/zinc/04/36/71/532043671.db2.gz WLUCUFOPXHYSML-LBPRGKRZSA-N 1 0 398.261 1.671 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000374393045 532120418 /nfs/dbraw/zinc/12/04/18/532120418.db2.gz LQTYMNZMCBNJIO-WOPDTQHZSA-N 1 0 375.472 1.529 20 5 GDBDRO CS[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275758356 532309275 /nfs/dbraw/zinc/30/92/75/532309275.db2.gz DZENQTOQBXXDDZ-LSDHHAIUSA-N 1 0 386.499 1.258 20 5 GDBDRO C[N@H+](CCOCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289344478 532321856 /nfs/dbraw/zinc/32/18/56/532321856.db2.gz GHYKBEUNOWUMMN-UHFFFAOYSA-N 1 0 380.182 1.640 20 5 GDBDRO C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000289818354 532332575 /nfs/dbraw/zinc/33/25/75/532332575.db2.gz AQNQREGYHOJBGG-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO CN1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000289905869 532333663 /nfs/dbraw/zinc/33/36/63/532333663.db2.gz NTQDTPRCJCEJTP-SNVBAGLBSA-N 1 0 375.166 1.520 20 5 GDBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[NH+](C)C)c1 ZINC000821863696 599260220 /nfs/dbraw/zinc/26/02/20/599260220.db2.gz NAICZDKXEJRVKH-OAHLLOKOSA-N 1 0 384.400 1.893 20 5 GDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736147293 598336358 /nfs/dbraw/zinc/33/63/58/598336358.db2.gz MGABFNUNSFFFFD-LBPRGKRZSA-N 1 0 375.433 1.304 20 5 GDBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1 ZINC000823634167 599450066 /nfs/dbraw/zinc/45/00/66/599450066.db2.gz BNPWRLRJHBSOJG-AWEZNQCLSA-N 1 0 397.443 1.626 20 5 GDBDRO CC(C)([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000819987576 606204797 /nfs/dbraw/zinc/20/47/97/606204797.db2.gz ADLKSASJYYTIGD-NSHDSACASA-N 1 0 383.416 1.538 20 5 GDBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C2)c1 ZINC000822374344 606705835 /nfs/dbraw/zinc/70/58/35/606705835.db2.gz RSWDUPWJPXTPTC-GFCCVEGCSA-N 1 0 381.400 1.812 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821189373 606714753 /nfs/dbraw/zinc/71/47/53/606714753.db2.gz LCYNMXQQVKMZDX-GFCCVEGCSA-N 1 0 376.421 1.107 20 5 GDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000824706920 607841081 /nfs/dbraw/zinc/84/10/81/607841081.db2.gz MANCICVMSKJIFW-GFCCVEGCSA-N 1 0 375.433 1.304 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000826497791 609388187 /nfs/dbraw/zinc/38/81/87/609388187.db2.gz VADGBHPQRBBDIM-AWEZNQCLSA-N 1 0 396.411 1.349 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000538448285 650311344 /nfs/dbraw/zinc/31/13/44/650311344.db2.gz QYCFEGUAJYLHSK-UHFFFAOYSA-N 1 0 378.401 1.280 20 5 GDBDRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000551408792 650606439 /nfs/dbraw/zinc/60/64/39/650606439.db2.gz IBPDZEKKKAOCPT-SECBINFHSA-N 1 0 387.234 1.610 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000563628451 650737753 /nfs/dbraw/zinc/73/77/53/650737753.db2.gz CUPGVXBDRUZMDF-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262803085 645139512 /nfs/dbraw/zinc/13/95/12/645139512.db2.gz VZNZWFAKMOWQGT-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000371590014 645748042 /nfs/dbraw/zinc/74/80/42/645748042.db2.gz KIOKKHCGEUATPR-CYBMUJFWSA-N 1 0 388.515 1.447 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000462389844 647525990 /nfs/dbraw/zinc/52/59/90/647525990.db2.gz OPHQPJKDDCVNCH-ZDUSSCGKSA-N 1 0 379.360 1.988 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000467084891 647631335 /nfs/dbraw/zinc/63/13/35/647631335.db2.gz JUDBMCGHFZCVPJ-SGMGOOAPSA-N 1 0 389.499 1.837 20 5 GDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000477097685 647794157 /nfs/dbraw/zinc/79/41/57/647794157.db2.gz FTKPWTMSJDFPCV-HNNXBMFYSA-N 1 0 388.515 1.694 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000516649532 648530927 /nfs/dbraw/zinc/53/09/27/648530927.db2.gz RDZSDGGILPTWMF-VIFPVBQESA-N 1 0 389.193 1.990 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000518547186 648602654 /nfs/dbraw/zinc/60/26/54/648602654.db2.gz XMXPPNPNFQFINX-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000571514915 651078695 /nfs/dbraw/zinc/07/86/95/651078695.db2.gz ZXJBSXBWEMKVMK-GFCCVEGCSA-N 1 0 389.193 1.975 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000579236274 651844187 /nfs/dbraw/zinc/84/41/87/651844187.db2.gz HBGYNYSMTGONLM-ZETCQYMHSA-N 1 0 377.182 1.927 20 5 GDBDRO C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000582316307 651988514 /nfs/dbraw/zinc/98/85/14/651988514.db2.gz KBKFVWOKYIKXOW-ZJUUUORDSA-N 1 0 399.245 1.847 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000589926517 652121392 /nfs/dbraw/zinc/12/13/92/652121392.db2.gz VJLVREFBCZRRQR-JOYOIKCWSA-N 1 0 390.259 1.682 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593731267 652244756 /nfs/dbraw/zinc/24/47/56/652244756.db2.gz BWPOWQHKQYMKKQ-MFKMUULPSA-N 1 0 375.422 1.881 20 5 GDBDRO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000594450746 652287780 /nfs/dbraw/zinc/28/77/80/652287780.db2.gz YMNZWKUFIOSSAR-CBAPKCEASA-N 1 0 380.348 1.267 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601346911 652568403 /nfs/dbraw/zinc/56/84/03/652568403.db2.gz BWLIJMYJVXJPFW-AOOOYVTPSA-N 1 0 376.232 1.482 20 5 GDBDRO CN1CCN(S(=O)(=O)c2ccc(SCC[NH+](C)C)c([N+](=O)[O-])c2)CC1 ZINC000610680843 652889731 /nfs/dbraw/zinc/88/97/31/652889731.db2.gz SGZGNTYJAOLTMO-UHFFFAOYSA-N 1 0 388.515 1.185 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000741755619 654692167 /nfs/dbraw/zinc/69/21/67/654692167.db2.gz FOBDZKPCAHKKQU-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000745943205 654752148 /nfs/dbraw/zinc/75/21/48/654752148.db2.gz YGSOPLOQTAIKAL-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834727528 655076937 /nfs/dbraw/zinc/07/69/37/655076937.db2.gz NJOXZYFCPXVYGU-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000810368298 655156893 /nfs/dbraw/zinc/15/68/93/655156893.db2.gz YFQUKLGCLBSDGH-UHFFFAOYSA-N 1 0 399.245 1.754 20 5 GDBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000841150447 655310556 /nfs/dbraw/zinc/31/05/56/655310556.db2.gz UUSMKOXTJDEEJF-VIFPVBQESA-N 1 0 385.218 1.425 20 5 GDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000841164042 655311608 /nfs/dbraw/zinc/31/16/08/655311608.db2.gz NDNYXBUMDRYIDB-SNVBAGLBSA-N 1 0 399.245 1.815 20 5 GDBDRO CCCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000841169169 655311782 /nfs/dbraw/zinc/31/17/82/655311782.db2.gz SIXUNFACOXBRST-NSHDSACASA-N 1 0 399.245 1.896 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000841209468 655314130 /nfs/dbraw/zinc/31/41/30/655314130.db2.gz WINWERWYYNKITL-VHSXEESVSA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000841218562 655315336 /nfs/dbraw/zinc/31/53/36/655315336.db2.gz RTXOPPSAMUBNAA-PRHODGIISA-N 1 0 399.245 1.718 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000841218564 655315387 /nfs/dbraw/zinc/31/53/87/655315387.db2.gz RTXOPPSAMUBNAA-UFBFGSQYSA-N 1 0 399.245 1.718 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841225525 655315524 /nfs/dbraw/zinc/31/55/24/655315524.db2.gz AIUWMZCZVDHKIZ-DTWKUNHWSA-N 1 0 385.218 1.682 20 5 GDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841227654 655315752 /nfs/dbraw/zinc/31/57/52/655315752.db2.gz LIBCIIWTRKXLJX-CABZTGNLSA-N 1 0 399.245 1.882 20 5 GDBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000841524882 655337108 /nfs/dbraw/zinc/33/71/08/655337108.db2.gz QVSAGMZUMKMMRI-JTQLQIEISA-N 1 0 392.275 1.896 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000817862352 655361049 /nfs/dbraw/zinc/36/10/49/655361049.db2.gz SPGMBGUOJWBAPE-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)ccc1Br ZINC000817862586 655361181 /nfs/dbraw/zinc/36/11/81/655361181.db2.gz WAIKPIPMRRKTKI-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842480012 655366753 /nfs/dbraw/zinc/36/67/53/655366753.db2.gz MEJDSYPRGXFKFZ-RKDXNWHRSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C[NH3+] ZINC000842485513 655368166 /nfs/dbraw/zinc/36/81/66/655368166.db2.gz IYVSJAAMQRWYLP-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000842744539 655374880 /nfs/dbraw/zinc/37/48/80/655374880.db2.gz STDFXQNRYDLTJH-PRHODGIISA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842789367 655377125 /nfs/dbraw/zinc/37/71/25/655377125.db2.gz UCJNNGKAUVKGNW-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842815612 655378908 /nfs/dbraw/zinc/37/89/08/655378908.db2.gz SRHIYJSWPSSJHN-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000842891258 655383034 /nfs/dbraw/zinc/38/30/34/655383034.db2.gz ROWXOADYRCMENK-DOMZBBRYSA-N 1 0 389.861 1.765 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[NH+](C)C ZINC000849428770 655533541 /nfs/dbraw/zinc/53/35/41/655533541.db2.gz FBWLCPNJEVBZKN-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[NH2+]1 ZINC000858633048 655751653 /nfs/dbraw/zinc/75/16/53/655751653.db2.gz VTZJMLDUUABGQT-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000863832547 655882765 /nfs/dbraw/zinc/88/27/65/655882765.db2.gz ZHOXZAGLGITYLX-VIFPVBQESA-N 1 0 376.182 1.293 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000867026260 655988663 /nfs/dbraw/zinc/98/86/63/655988663.db2.gz UUKCDRVDQVBFBC-QWHCGFSZSA-N 1 0 377.463 1.708 20 5 GDBDRO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000867582823 656088378 /nfs/dbraw/zinc/08/83/78/656088378.db2.gz YRMYUQIGWPUPAK-UHFFFAOYSA-N 1 0 377.488 1.635 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000871815363 656283274 /nfs/dbraw/zinc/28/32/74/656283274.db2.gz UTMCOOMVMBYXTQ-TVQRCGJNSA-N 1 0 390.259 1.587 20 5 GDBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863889 656975276 /nfs/dbraw/zinc/97/52/76/656975276.db2.gz HWQLOSBFVVRZHR-NSHDSACASA-N 1 0 386.246 1.942 20 5 GDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000886890843 657719893 /nfs/dbraw/zinc/71/98/93/657719893.db2.gz WAHRXNMUETZLPE-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896563645 658790090 /nfs/dbraw/zinc/79/00/90/658790090.db2.gz NRWOIWUOGQTLJF-HZMBPMFUSA-N 1 0 385.262 1.721 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903596846 659357938 /nfs/dbraw/zinc/35/79/38/659357938.db2.gz UAPFFIPFRCIZSU-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732058 720478919 /nfs/dbraw/zinc/47/89/19/720478919.db2.gz YIVKQZBPBDXBTE-JKSUJKDBSA-N 1 0 397.439 1.900 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746217 720642596 /nfs/dbraw/zinc/64/25/96/720642596.db2.gz WHHUZJVUFLUHFX-RYUDHWBXSA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736751 720672564 /nfs/dbraw/zinc/67/25/64/720672564.db2.gz AZINRIOSNNXBPT-CHWSQXEVSA-N 1 0 376.804 1.775 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164750886 720949375 /nfs/dbraw/zinc/94/93/75/720949375.db2.gz OQRCBRMIHZBVAX-UHFFFAOYSA-N 1 0 394.819 1.485 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772194 721075740 /nfs/dbraw/zinc/07/57/40/721075740.db2.gz USLFTKVNDDOETN-CHWSQXEVSA-N 1 0 377.836 1.730 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892219 721392845 /nfs/dbraw/zinc/39/28/45/721392845.db2.gz SEOSTPFHNYGUPR-APWZRJJASA-N 1 0 375.473 1.755 20 5 GDBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc1C1C[NH2+]C1 ZINC001164787558 721439777 /nfs/dbraw/zinc/43/97/77/721439777.db2.gz XQXGKKCKNUALMW-STQMWFEESA-N 1 0 387.469 1.096 20 5 GDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164928036 721851695 /nfs/dbraw/zinc/85/16/95/721851695.db2.gz MRPLAVDUGIAGNJ-WDEREUQCSA-N 1 0 386.909 1.975 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981662 722112036 /nfs/dbraw/zinc/11/20/36/722112036.db2.gz UTMQBGCEZMJCRE-AEFFLSMTSA-N 1 0 384.440 1.816 20 5 GDBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823639710 946460451 /nfs/dbraw/zinc/46/04/51/946460451.db2.gz FYXNXJHKTCLTNA-DLBZAZTESA-N 1 0 387.444 1.955 20 5 GDBDRO Cc1cc(NCCCc2[nH]nc(N)c2-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000826271075 947785709 /nfs/dbraw/zinc/78/57/09/947785709.db2.gz BATZAPHAJGAXTN-UHFFFAOYSA-N 1 0 394.399 1.403 20 5 GDBDRO C[C@@H](CCN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185349772 530840922 /nfs/dbraw/zinc/84/09/22/530840922.db2.gz MIDUKFNOYMAVMU-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000119695552 530929564 /nfs/dbraw/zinc/92/95/64/530929564.db2.gz JCPVURDZQWZSDY-UHFFFAOYSA-N 1 0 391.877 1.716 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000123103487 530979394 /nfs/dbraw/zinc/97/93/94/530979394.db2.gz XBZKONCSZJJWQZ-UHFFFAOYSA-N 1 0 376.504 1.271 20 5 GDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1Br ZINC000192364355 530967616 /nfs/dbraw/zinc/96/76/16/530967616.db2.gz QTSZDWVGHCOVEL-UHFFFAOYSA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000126327666 531017802 /nfs/dbraw/zinc/01/78/02/531017802.db2.gz VJXBTPYDJPUHBZ-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195233460 531019014 /nfs/dbraw/zinc/01/90/14/531019014.db2.gz VGMVWWASQZIROY-DTORHVGOSA-N 1 0 387.177 1.491 20 5 GDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Br)c1 ZINC000245879875 531061747 /nfs/dbraw/zinc/06/17/47/531061747.db2.gz IACYBMAEQJFOGG-HUUCEWRRSA-N 1 0 399.245 1.580 20 5 GDBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237169767 531043030 /nfs/dbraw/zinc/04/30/30/531043030.db2.gz IHYURFCGGVDTFZ-QMMMGPOBSA-N 1 0 377.182 1.785 20 5 GDBDRO COCC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237321000 531045247 /nfs/dbraw/zinc/04/52/47/531045247.db2.gz AAXYJWLNRJUEIL-UHFFFAOYSA-N 1 0 393.181 1.165 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262045127 531106187 /nfs/dbraw/zinc/10/61/87/531106187.db2.gz QNNUGCVWIIBLSQ-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO COc1c(S(=O)(=O)NCC(C)(C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262811827 531132092 /nfs/dbraw/zinc/13/20/92/531132092.db2.gz YILMBUCHCWIQCN-UHFFFAOYSA-N 1 0 396.263 1.690 20 5 GDBDRO O=[N+]([O-])c1nn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000152294108 531149378 /nfs/dbraw/zinc/14/93/78/531149378.db2.gz KWBHVYMXFNAWDU-ZDUSSCGKSA-N 1 0 381.230 1.973 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000156208886 531204378 /nfs/dbraw/zinc/20/43/78/531204378.db2.gz SVFZJCFFWKXFOI-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO Cc1c(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435328797 531260908 /nfs/dbraw/zinc/26/09/08/531260908.db2.gz MWNJDBRNRKZHBB-CQSZACIVSA-N 1 0 387.234 1.854 20 5 GDBDRO CS[C@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000527073326 531313464 /nfs/dbraw/zinc/31/34/64/531313464.db2.gz JVLIGRXUONTOCG-KBPBESRZSA-N 1 0 386.499 1.258 20 5 GDBDRO [NH3+]C1CCC(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000440357266 531334836 /nfs/dbraw/zinc/33/48/36/531334836.db2.gz QVXNSBPRUMUILM-UHFFFAOYSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440839585 531347558 /nfs/dbraw/zinc/34/75/58/531347558.db2.gz CKBGKFDYUGWJTN-LDYMZIIASA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440812490 531346418 /nfs/dbraw/zinc/34/64/18/531346418.db2.gz VRLPMCSJWNPFHB-UFBFGSQYSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440834129 531347173 /nfs/dbraw/zinc/34/71/73/531347173.db2.gz QDTNYWZBRRYSMZ-QPUJVOFHSA-N 1 0 378.248 1.634 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000267173296 531407224 /nfs/dbraw/zinc/40/72/24/531407224.db2.gz IQPLYFKJMJEMQT-LBPRGKRZSA-N 1 0 388.515 1.742 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447246319 531422040 /nfs/dbraw/zinc/42/20/40/531422040.db2.gz OQZNEXNRBIQQHZ-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415392537 531482267 /nfs/dbraw/zinc/48/22/67/531482267.db2.gz JMAAQCOHQSKZNY-SNVBAGLBSA-N 1 0 399.245 1.672 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415555704 531494384 /nfs/dbraw/zinc/49/43/84/531494384.db2.gz CBZXZMXOLOHNOS-DTWKUNHWSA-N 1 0 385.218 1.492 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415577783 531496580 /nfs/dbraw/zinc/49/65/80/531496580.db2.gz ZEWFBOUJJIDBDN-BDAKNGLRSA-N 1 0 399.245 1.813 20 5 GDBDRO CCn1cc(S(=O)(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000611107373 531529352 /nfs/dbraw/zinc/52/93/52/531529352.db2.gz MJKACUGERRVENF-CYBMUJFWSA-N 1 0 375.495 1.846 20 5 GDBDRO C[C@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000611221551 531530585 /nfs/dbraw/zinc/53/05/85/531530585.db2.gz HGBLHKHJVUBBBN-MRVPVSSYSA-N 1 0 377.182 1.879 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415800914 531534180 /nfs/dbraw/zinc/53/41/80/531534180.db2.gz DYLADLJDXXJIBI-MWLCHTKSSA-N 1 0 399.245 1.930 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000590541985 531689729 /nfs/dbraw/zinc/68/97/29/531689729.db2.gz QUFHRPFNMGPLIH-ZDUSSCGKSA-N 1 0 397.273 1.785 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000269960744 531814381 /nfs/dbraw/zinc/81/43/81/531814381.db2.gz JAIVTJLIKWUOSR-LLVKDONJSA-N 1 0 386.250 1.725 20 5 GDBDRO O=[N+]([O-])c1cncc(I)c1N1CCC([NH2+]CCO)CC1 ZINC000418909089 531861141 /nfs/dbraw/zinc/86/11/41/531861141.db2.gz YSALLYMXMLDZFZ-UHFFFAOYSA-N 1 0 392.197 1.145 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000270596739 531899557 /nfs/dbraw/zinc/89/95/57/531899557.db2.gz VDZKLKUHYSBTEA-QWHCGFSZSA-N 1 0 375.472 1.270 20 5 GDBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000419803419 531970431 /nfs/dbraw/zinc/97/04/31/531970431.db2.gz CFVWXWWCTXCASK-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(Br)c1 ZINC000420451961 532015184 /nfs/dbraw/zinc/01/51/84/532015184.db2.gz RPNHLXLFXPTAJT-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Br)c1 ZINC000576509152 532024541 /nfs/dbraw/zinc/02/45/41/532024541.db2.gz REROTTNDXAIZRO-BXUZGUMPSA-N 1 0 399.245 1.972 20 5 GDBDRO CNS(=O)(=O)C[C@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000599690805 532035916 /nfs/dbraw/zinc/03/59/16/532035916.db2.gz MKYYRSYXXLLEJI-NSHDSACASA-N 1 0 375.422 1.504 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 ZINC000600669472 532049573 /nfs/dbraw/zinc/04/95/73/532049573.db2.gz NWXMKBOMNIJIHX-IWIIMEHWSA-N 1 0 390.259 1.538 20 5 GDBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000285366225 532074612 /nfs/dbraw/zinc/07/46/12/532074612.db2.gz VTUBSYJJMYRGAZ-IUODEOHRSA-N 1 0 390.483 1.314 20 5 GDBDRO CS[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1[NH+]1CCCC1 ZINC000275470286 532297065 /nfs/dbraw/zinc/29/70/65/532297065.db2.gz NXMYXFOIXJCLQW-UONOGXRCSA-N 1 0 386.499 1.258 20 5 GDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+](C)CCN(C)C ZINC000288667056 532302034 /nfs/dbraw/zinc/30/20/34/532302034.db2.gz SELMEVQKGHHUTI-UHFFFAOYSA-N 1 0 376.454 1.204 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(O)CCOCC2)c1 ZINC000289457370 532324889 /nfs/dbraw/zinc/32/48/89/532324889.db2.gz HQRSPYYCKIRYBW-UHFFFAOYSA-N 1 0 392.193 1.831 20 5 GDBDRO CS[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275756492 532309124 /nfs/dbraw/zinc/30/91/24/532309124.db2.gz DZENQTOQBXXDDZ-CABCVRRESA-N 1 0 386.499 1.258 20 5 GDBDRO C[NH+]1CCN(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000289799187 532332369 /nfs/dbraw/zinc/33/23/69/532332369.db2.gz JDTKOARJSIFJOV-UHFFFAOYSA-N 1 0 397.284 1.427 20 5 GDBDRO Cn1c(Sc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000737594533 599266975 /nfs/dbraw/zinc/26/69/75/599266975.db2.gz XWGLNGWCSFCRPV-SNVBAGLBSA-N 1 0 387.429 1.522 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CC4CC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644732 599487413 /nfs/dbraw/zinc/48/74/13/599487413.db2.gz KYVILEWBFMHVMC-UHFFFAOYSA-N 1 0 380.412 1.855 20 5 GDBDRO CC[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000820926354 606482537 /nfs/dbraw/zinc/48/25/37/606482537.db2.gz RMKLQXAHMLNZTA-IAQYHMDHSA-N 1 0 383.416 1.754 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)nc1 ZINC000823639840 606975308 /nfs/dbraw/zinc/97/53/08/606975308.db2.gz INOPTHIUBWVZDI-LBPRGKRZSA-N 1 0 384.375 1.995 20 5 GDBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824572417 608470118 /nfs/dbraw/zinc/47/01/18/608470118.db2.gz UXALNXUZAUUTJW-WBMJQRKESA-N 1 0 384.396 1.865 20 5 GDBDRO O=C(C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000826412624 608529969 /nfs/dbraw/zinc/52/99/69/608529969.db2.gz WAWULOMELANESI-UHFFFAOYSA-N 1 0 379.380 1.992 20 5 GDBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC000826498639 609388345 /nfs/dbraw/zinc/38/83/45/609388345.db2.gz DDVDUYYTCWXTNX-MRXNPFEDSA-N 1 0 395.423 1.954 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH3+] ZINC000564944949 650773859 /nfs/dbraw/zinc/77/38/59/650773859.db2.gz WGZPNQLUHGBRCD-UHFFFAOYSA-N 1 0 377.182 1.975 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000049559309 644396269 /nfs/dbraw/zinc/39/62/69/644396269.db2.gz XMRZRNINBZPCJT-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178906700 644928155 /nfs/dbraw/zinc/92/81/55/644928155.db2.gz PMXDZKNPULAUNG-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000178942617 644929707 /nfs/dbraw/zinc/92/97/07/644929707.db2.gz OBTWCPBSPWXNNI-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193452851 645051942 /nfs/dbraw/zinc/05/19/42/645051942.db2.gz FVDBIPZRJTVRBO-KWQFWETISA-N 1 0 378.248 1.776 20 5 GDBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000236819794 645081141 /nfs/dbraw/zinc/08/11/41/645081141.db2.gz MQJMZHNYYUQHRR-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237124496 645082302 /nfs/dbraw/zinc/08/23/02/645082302.db2.gz LHSMIWYOZYTYSA-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1[N+](=O)[O-] ZINC000452384736 647322518 /nfs/dbraw/zinc/32/25/18/647322518.db2.gz CAQIEAFBSRQSCB-GFCCVEGCSA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000571459983 651077353 /nfs/dbraw/zinc/07/73/53/651077353.db2.gz HOOVAEFIUJDJRC-IUCAKERBSA-N 1 0 378.248 1.858 20 5 GDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cc(Br)cn1 ZINC000575379204 651594572 /nfs/dbraw/zinc/59/45/72/651594572.db2.gz YOQZFRJWAKXSJR-ZDUSSCGKSA-N 1 0 399.245 1.973 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nc3c(cccc3Br)[nH]2)c1 ZINC000581365610 651974954 /nfs/dbraw/zinc/97/49/54/651974954.db2.gz XTSXQJLSJLHRRF-SNVBAGLBSA-N 1 0 395.217 1.581 20 5 GDBDRO CC[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000591304203 652160841 /nfs/dbraw/zinc/16/08/41/652160841.db2.gz SFLDBQMIRPUQEI-TVQRCGJNSA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000592374315 652183883 /nfs/dbraw/zinc/18/38/83/652183883.db2.gz LIDLHIGQNPBMLI-GZMMTYOYSA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c(Br)c1 ZINC000592381565 652185892 /nfs/dbraw/zinc/18/58/92/652185892.db2.gz WAIZDWMOLBGGRM-BXKDBHETSA-N 1 0 390.259 1.730 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593665156 652235916 /nfs/dbraw/zinc/23/59/16/652235916.db2.gz BQPHQZNOYWRNAV-UHFFFAOYSA-N 1 0 375.422 1.849 20 5 GDBDRO Cc1sc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000594802830 652367834 /nfs/dbraw/zinc/36/78/34/652367834.db2.gz DXERTQOTBIYJMU-NSHDSACASA-N 1 0 378.520 1.515 20 5 GDBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]C1 ZINC000595990703 652431552 /nfs/dbraw/zinc/43/15/52/652431552.db2.gz CUUUDKYEJNHZGD-GFCCVEGCSA-N 1 0 375.166 1.681 20 5 GDBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602574504 652641813 /nfs/dbraw/zinc/64/18/13/652641813.db2.gz ABQSQTZWRSBLTO-SNVBAGLBSA-N 1 0 381.376 1.985 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(F)F ZINC000706032598 654833769 /nfs/dbraw/zinc/83/37/69/654833769.db2.gz OMMPRRSOIVOHEL-SECBINFHSA-N 1 0 399.135 1.912 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809394942 655128411 /nfs/dbraw/zinc/12/84/11/655128411.db2.gz CXJZANZMJPNDAK-LBPRGKRZSA-N 1 0 386.257 1.493 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809394941 655128430 /nfs/dbraw/zinc/12/84/30/655128430.db2.gz CXJZANZMJPNDAK-GFCCVEGCSA-N 1 0 386.257 1.493 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809832467 655140285 /nfs/dbraw/zinc/14/02/85/655140285.db2.gz PNDYUSZTEIQUQC-UHFFFAOYSA-N 1 0 386.257 1.758 20 5 GDBDRO CSC1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000810084272 655148640 /nfs/dbraw/zinc/14/86/40/655148640.db2.gz XAOKYYIDIJYVTO-UHFFFAOYSA-N 1 0 377.463 1.840 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000765193862 655233866 /nfs/dbraw/zinc/23/38/66/655233866.db2.gz DGNGFTDNZFKLGD-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000841207488 655314245 /nfs/dbraw/zinc/31/42/45/655314245.db2.gz DRURQXNYZHTOFB-UHFFFAOYSA-N 1 0 385.218 1.602 20 5 GDBDRO CC(C)(CCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841250966 655317562 /nfs/dbraw/zinc/31/75/62/655317562.db2.gz YMVZTUBNLLFZAU-UHFFFAOYSA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841296076 655318889 /nfs/dbraw/zinc/31/88/89/655318889.db2.gz VPNFQXSTXPWNPY-JTQLQIEISA-N 1 0 399.245 1.863 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000842482252 655367288 /nfs/dbraw/zinc/36/72/88/655367288.db2.gz YDBRPFWVMUDJHN-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842832674 655380161 /nfs/dbraw/zinc/38/01/61/655380161.db2.gz CUIIMRRZFVPNPD-KWQFWETISA-N 1 0 378.248 1.634 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)c1 ZINC000843082665 655388015 /nfs/dbraw/zinc/38/80/15/655388015.db2.gz TXJSZJRHUQLBJN-ZIAGYGMSSA-N 1 0 375.212 1.782 20 5 GDBDRO Cc1ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c([N+](=O)[O-])c1Br ZINC000845629587 655433845 /nfs/dbraw/zinc/43/38/45/655433845.db2.gz KGUGURXIFKTUET-UHFFFAOYSA-N 1 0 385.262 1.876 20 5 GDBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1[NH+](C)C ZINC000827424475 655510977 /nfs/dbraw/zinc/51/09/77/655510977.db2.gz AHRKIUBVMBIGRF-MNOVXSKESA-N 1 0 389.275 1.870 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000849330480 655522043 /nfs/dbraw/zinc/52/20/43/655522043.db2.gz SAGSXVYERPESMO-KGLIPLIRSA-N 1 0 376.381 1.772 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000850629005 655561753 /nfs/dbraw/zinc/56/17/53/655561753.db2.gz WQPXLLZQFLXBAX-UHFFFAOYSA-N 1 0 399.245 1.624 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000857236512 655731648 /nfs/dbraw/zinc/73/16/48/655731648.db2.gz ZZOVNPVHRBUKIR-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000857236506 655731660 /nfs/dbraw/zinc/73/16/60/655731660.db2.gz ZZOVNPVHRBUKIR-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC000857649584 655738793 /nfs/dbraw/zinc/73/87/93/655738793.db2.gz XKYSZFSZAMHETQ-UHFFFAOYSA-N 1 0 389.193 1.833 20 5 GDBDRO CN1CC[NH+](CC2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000863918046 655883639 /nfs/dbraw/zinc/88/36/39/655883639.db2.gz CPUFCAKTEDZFNM-UHFFFAOYSA-N 1 0 397.273 1.677 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923712660 656594539 /nfs/dbraw/zinc/59/45/39/656594539.db2.gz LAUWVHPKOLZMQZ-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000932829789 657226558 /nfs/dbraw/zinc/22/65/58/657226558.db2.gz AASNOUXGDKZBJS-LBPRGKRZSA-N 1 0 398.257 1.820 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908205027 659882514 /nfs/dbraw/zinc/88/25/14/659882514.db2.gz UHQXMRIBVDNQQF-GFCCVEGCSA-N 1 0 386.246 1.473 20 5 GDBDRO O=C1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC2(CC[NH2+]CC2)N1 ZINC001164389177 718809385 /nfs/dbraw/zinc/80/93/85/718809385.db2.gz GJIJBIRKZPHSPR-UHFFFAOYSA-N 1 0 375.763 1.247 20 5 GDBDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)ncc3[N+](=O)[O-])CC2)CC1 ZINC001164614153 719025496 /nfs/dbraw/zinc/02/54/96/719025496.db2.gz ODYGONZSQJFYJG-UHFFFAOYSA-N 1 0 377.445 1.937 20 5 GDBDRO COC(=O)c1ccnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164681214 719625725 /nfs/dbraw/zinc/62/57/25/719625725.db2.gz DGWXSYVYGZZSMB-UHFFFAOYSA-N 1 0 388.428 1.448 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164821610 720290396 /nfs/dbraw/zinc/29/03/96/720290396.db2.gz LINPAYHIKVDGSR-IAGOWNOFSA-N 1 0 389.456 1.140 20 5 GDBDRO Nc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164748254 720835080 /nfs/dbraw/zinc/83/50/80/720835080.db2.gz STWQRGAKNLXGFI-HRCADAONSA-N 1 0 398.471 1.543 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164857110 720850618 /nfs/dbraw/zinc/85/06/18/720850618.db2.gz XMFCUFCLGLMFPO-KBXCAEBGSA-N 1 0 387.440 1.712 20 5 GDBDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)C1 ZINC001164868576 721266865 /nfs/dbraw/zinc/26/68/65/721266865.db2.gz CSCISGJDCXWTKI-UHFFFAOYSA-N 1 0 395.435 1.136 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979734 722137608 /nfs/dbraw/zinc/13/76/08/722137608.db2.gz LWRDXQISPVPWHW-QAPCUYQASA-N 1 0 384.440 1.694 20 5 GDBDRO COc1nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)ccc1[N+](=O)[O-] ZINC001165000979 722251432 /nfs/dbraw/zinc/25/14/32/722251432.db2.gz XMXQQGOVKWBIFB-UHFFFAOYSA-N 1 0 390.444 1.683 20 5 GDBDRO C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000161509345 530560955 /nfs/dbraw/zinc/56/09/55/530560955.db2.gz SXOCOWVGZJARCI-LBPRGKRZSA-N 1 0 386.257 1.493 20 5 GDBDRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000161660544 530562905 /nfs/dbraw/zinc/56/29/05/530562905.db2.gz NMZGZYILIKXUHY-LBPRGKRZSA-N 1 0 391.877 1.619 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176695357 530688276 /nfs/dbraw/zinc/68/82/76/530688276.db2.gz VVIJPIUTHCTRQT-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000054131613 530699226 /nfs/dbraw/zinc/69/92/26/530699226.db2.gz KEZONFOQCDULGI-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184761860 530831754 /nfs/dbraw/zinc/83/17/54/530831754.db2.gz CXDNELDGHKJLNR-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000106895296 530851544 /nfs/dbraw/zinc/85/15/44/530851544.db2.gz NOBBYKLBALTFAL-NSHDSACASA-N 1 0 390.893 1.471 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000187175910 530867840 /nfs/dbraw/zinc/86/78/40/530867840.db2.gz PCCLEAMYHDOJKK-GWCFXTLKSA-N 1 0 375.422 1.703 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000187412861 530873320 /nfs/dbraw/zinc/87/33/20/530873320.db2.gz PGWJFWCRRNYCOV-JTQLQIEISA-N 1 0 377.438 1.997 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000122902601 530976959 /nfs/dbraw/zinc/97/69/59/530976959.db2.gz FPVZFUFTUZUING-VIFPVBQESA-N 1 0 378.248 1.696 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236739999 531039954 /nfs/dbraw/zinc/03/99/54/531039954.db2.gz DFUGYMZBPKIRTD-ZACCUICWSA-N 1 0 390.259 1.919 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000238089673 531055063 /nfs/dbraw/zinc/05/50/63/531055063.db2.gz RQPHLLNXQFSHCF-LLVKDONJSA-N 1 0 375.166 1.667 20 5 GDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000248645027 531080552 /nfs/dbraw/zinc/08/05/52/531080552.db2.gz SEHKNBRRUKSIDH-INTQDDNPSA-N 1 0 390.259 1.715 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000134249842 531098153 /nfs/dbraw/zinc/09/81/53/531098153.db2.gz CRVDXSRJPCJERG-UHFFFAOYSA-N 1 0 382.467 1.997 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000153170347 531163780 /nfs/dbraw/zinc/16/37/80/531163780.db2.gz JHSVIFSUGGQDOF-UHFFFAOYSA-N 1 0 399.289 1.654 20 5 GDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440425359 531338758 /nfs/dbraw/zinc/33/87/58/531338758.db2.gz HUWTZVLMDPZOKQ-KWQFWETISA-N 1 0 378.248 1.763 20 5 GDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000440432020 531338986 /nfs/dbraw/zinc/33/89/86/531338986.db2.gz YRMBSJPTNVUZIA-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415577795 531497668 /nfs/dbraw/zinc/49/76/68/531497668.db2.gz ZEWFBOUJJIDBDN-IUCAKERBSA-N 1 0 399.245 1.813 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000280644436 531521545 /nfs/dbraw/zinc/52/15/45/531521545.db2.gz VGVZOZFHOVADOX-NSHDSACASA-N 1 0 375.422 1.894 20 5 GDBDRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000269775033 531753286 /nfs/dbraw/zinc/75/32/86/531753286.db2.gz HBKNLNHLHGXZRB-UHFFFAOYSA-N 1 0 375.422 1.248 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367830812 531869706 /nfs/dbraw/zinc/86/97/06/531869706.db2.gz FFGZMPWZFOWZEJ-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO COc1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000271027369 531956033 /nfs/dbraw/zinc/95/60/33/531956033.db2.gz GSAHYKXGFRECBH-JSGCOSHPSA-N 1 0 375.472 1.270 20 5 GDBDRO CN(C)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000299321240 531980338 /nfs/dbraw/zinc/98/03/38/531980338.db2.gz HXOKPKWCHXMISJ-UHFFFAOYSA-N 1 0 385.471 1.185 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000599101378 532004987 /nfs/dbraw/zinc/00/49/87/532004987.db2.gz DAPKWAQTAGBZJK-UHFFFAOYSA-N 1 0 383.348 1.400 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CCC[NH2+]CC1 ZINC000575309321 532010969 /nfs/dbraw/zinc/01/09/69/532010969.db2.gz MNOLNPQUKFRNIN-UHFFFAOYSA-N 1 0 389.193 1.943 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000420463966 532019317 /nfs/dbraw/zinc/01/93/17/532019317.db2.gz XCRXXRDPJXJJKI-PSASIEDQSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000599480326 532031503 /nfs/dbraw/zinc/03/15/03/532031503.db2.gz BHESEDUPBBNNCK-LBPRGKRZSA-N 1 0 399.289 1.971 20 5 GDBDRO CN(CC[NH+](C)C)S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000285973793 532123861 /nfs/dbraw/zinc/12/38/61/532123861.db2.gz LQJWYRNHBGFYHO-UHFFFAOYSA-N 1 0 384.227 1.679 20 5 GDBDRO CCn1cc(S(=O)(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000331603561 532151641 /nfs/dbraw/zinc/15/16/41/532151641.db2.gz PIQPPEYGBGVRGK-VXGBXAGGSA-N 1 0 389.503 1.012 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427923983 532193218 /nfs/dbraw/zinc/19/32/18/532193218.db2.gz IHHPHJYKJDVRCP-ZANVPECISA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)c1 ZINC000392435090 532299630 /nfs/dbraw/zinc/29/96/30/532299630.db2.gz JZZHBDCYKMXXJR-AWEZNQCLSA-N 1 0 397.229 1.639 20 5 GDBDRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000288913604 532311277 /nfs/dbraw/zinc/31/12/77/532311277.db2.gz UHFFQGUBPBALCX-CQSZACIVSA-N 1 0 399.245 1.926 20 5 GDBDRO Cc1n[nH]c(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000289647022 532329943 /nfs/dbraw/zinc/32/99/43/532329943.db2.gz XZOPERLISNHXGI-UHFFFAOYSA-N 1 0 387.181 1.958 20 5 GDBDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289945907 532334484 /nfs/dbraw/zinc/33/44/84/532334484.db2.gz PVUSFEHTSFNMJT-QMMMGPOBSA-N 1 0 377.182 1.814 20 5 GDBDRO Cc1cc(C2=CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)CC2)cc([N+](=O)[O-])c1N ZINC000359875847 209197960 /nfs/dbraw/zinc/19/79/60/209197960.db2.gz NYTLEXFGAHLIID-UHFFFAOYSA-N 1 0 385.424 1.172 20 5 GDBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738373746 599124831 /nfs/dbraw/zinc/12/48/31/599124831.db2.gz GQMMTFRICDCLRM-UHFFFAOYSA-N 1 0 397.443 1.179 20 5 GDBDRO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000822303743 599248414 /nfs/dbraw/zinc/24/84/14/599248414.db2.gz HOWIDDFVDUNPOI-UHFFFAOYSA-N 1 0 380.412 1.801 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738369711 598501372 /nfs/dbraw/zinc/50/13/72/598501372.db2.gz MLKINLNSEUGONG-UHFFFAOYSA-N 1 0 388.432 1.109 20 5 GDBDRO C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000736768231 598805522 /nfs/dbraw/zinc/80/55/22/598805522.db2.gz YTWBWMJYFJQUBC-UHFFFAOYSA-N 1 0 395.423 1.979 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821189523 606140549 /nfs/dbraw/zinc/14/05/49/606140549.db2.gz NSDCDSCSRIWCNB-CQSZACIVSA-N 1 0 375.433 1.712 20 5 GDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC000825981124 607876197 /nfs/dbraw/zinc/87/61/97/607876197.db2.gz PGZJAFBNFUGQNT-CQSZACIVSA-N 1 0 384.396 1.647 20 5 GDBDRO C[C@H](F)CCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000549232632 650572886 /nfs/dbraw/zinc/57/28/86/650572886.db2.gz KKTDYEQNOLMEOQ-LBPRGKRZSA-N 1 0 376.454 1.985 20 5 GDBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000551495130 650607725 /nfs/dbraw/zinc/60/77/25/650607725.db2.gz DNODMHIGHUEFMW-VIFPVBQESA-N 1 0 399.245 1.895 20 5 GDBDRO [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000565599209 650805106 /nfs/dbraw/zinc/80/51/06/650805106.db2.gz RHXMSADLHVPPLF-SUZMYJTESA-N 1 0 383.246 1.965 20 5 GDBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000565802259 650815198 /nfs/dbraw/zinc/81/51/98/650815198.db2.gz CAZMRSJOMPDMFD-CYBMUJFWSA-N 1 0 392.193 1.783 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000567670188 650913990 /nfs/dbraw/zinc/91/39/90/650913990.db2.gz UOUUHMYFUKBBMR-SNVBAGLBSA-N 1 0 375.166 1.681 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000125238823 644713205 /nfs/dbraw/zinc/71/32/05/644713205.db2.gz YBZWDOHGWVKQRY-BDAKNGLRSA-N 1 0 378.248 1.906 20 5 GDBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)S(C)(=O)=O ZINC000129594724 644735187 /nfs/dbraw/zinc/73/51/87/644735187.db2.gz ZZXZAPXKIDIYQL-UHFFFAOYSA-N 1 0 375.422 1.818 20 5 GDBDRO [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000261943452 645119770 /nfs/dbraw/zinc/11/97/70/645119770.db2.gz VDQWFQDRHVSGOW-LBPRGKRZSA-N 1 0 385.262 1.644 20 5 GDBDRO COc1c(S(=O)(=O)N[C@@H](C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262805033 645140067 /nfs/dbraw/zinc/14/00/67/645140067.db2.gz WLDCOKJFHJNSIY-LURJTMIESA-N 1 0 382.236 1.300 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331321866 645498818 /nfs/dbraw/zinc/49/88/18/645498818.db2.gz KNWAIJZBAPQOFW-CYBMUJFWSA-N 1 0 385.262 1.262 20 5 GDBDRO [NH3+]C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000420382669 645942070 /nfs/dbraw/zinc/94/20/70/645942070.db2.gz DXBLFIDCOYSKJF-NSHDSACASA-N 1 0 387.234 1.345 20 5 GDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424225541 646166753 /nfs/dbraw/zinc/16/67/53/646166753.db2.gz MRWHJLSBDXVUAG-QWHCGFSZSA-N 1 0 394.229 1.658 20 5 GDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446049613 647278571 /nfs/dbraw/zinc/27/85/71/647278571.db2.gz CVYGOUDRJRGGOQ-GFCCVEGCSA-N 1 0 386.246 1.737 20 5 GDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc([N+](=O)[O-])cc1Br ZINC000452394102 647322947 /nfs/dbraw/zinc/32/29/47/647322947.db2.gz UGSBIHWEFLCPPN-LBPRGKRZSA-N 1 0 386.246 1.934 20 5 GDBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000468656317 647667769 /nfs/dbraw/zinc/66/77/69/647667769.db2.gz UROFTYOUPGAPQU-KAMYIIQDSA-N 1 0 385.511 1.966 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000491259004 647991853 /nfs/dbraw/zinc/99/18/53/647991853.db2.gz NJXNXNKYACYSDH-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000579480651 651861988 /nfs/dbraw/zinc/86/19/88/651861988.db2.gz IQJMNYNYZKXNEY-UHFFFAOYSA-N 1 0 386.202 1.981 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000582487418 651999331 /nfs/dbraw/zinc/99/93/31/651999331.db2.gz TUTBKNZQDLOGBL-JGVFFNPUSA-N 1 0 396.263 1.688 20 5 GDBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000595404093 652417694 /nfs/dbraw/zinc/41/76/94/652417694.db2.gz SUVMFOLYDAXQJN-GFCCVEGCSA-N 1 0 389.499 1.920 20 5 GDBDRO CC(C)C[NH2+]C1(CO)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000596252239 652438490 /nfs/dbraw/zinc/43/84/90/652438490.db2.gz ARHALDZAPJEKEM-UHFFFAOYSA-N 1 0 391.515 1.637 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601357019 652569991 /nfs/dbraw/zinc/56/99/91/652569991.db2.gz YHWIHKRJXGMVNU-UHFFFAOYSA-N 1 0 377.488 1.696 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000603240010 652687246 /nfs/dbraw/zinc/68/72/46/652687246.db2.gz OFNILYGOQGONFE-UHFFFAOYSA-N 1 0 381.234 1.402 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000768837226 654434659 /nfs/dbraw/zinc/43/46/59/654434659.db2.gz ZVUBKBWKOAVWOP-UHFFFAOYSA-N 1 0 389.499 1.779 20 5 GDBDRO C[NH+]1CCN(CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000731920849 654453327 /nfs/dbraw/zinc/45/33/27/654453327.db2.gz XNFPYNDINIXRKU-UHFFFAOYSA-N 1 0 378.401 1.250 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000747278144 654781360 /nfs/dbraw/zinc/78/13/60/654781360.db2.gz IWXNVELULYSLQG-UHFFFAOYSA-N 1 0 375.422 1.465 20 5 GDBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700975450 654831989 /nfs/dbraw/zinc/83/19/89/654831989.db2.gz OHTCKCLFGNUAIX-MRVPVSSYSA-N 1 0 377.182 1.927 20 5 GDBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CC[NH2+]C1 ZINC000701030772 654832215 /nfs/dbraw/zinc/83/22/15/654832215.db2.gz MQAGHPDMLVRQFJ-LBPRGKRZSA-N 1 0 375.166 1.681 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000813740580 655244732 /nfs/dbraw/zinc/24/47/32/655244732.db2.gz CESRAIPTAUFYEB-SKDRFNHKSA-N 1 0 390.259 1.682 20 5 GDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841178986 655312158 /nfs/dbraw/zinc/31/21/58/655312158.db2.gz WOOWLKBGTZXLDS-SNVBAGLBSA-N 1 0 387.234 1.785 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000841175756 655312192 /nfs/dbraw/zinc/31/21/92/655312192.db2.gz IWASZSAXWGNLBY-GXSJLCMTSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841216506 655315011 /nfs/dbraw/zinc/31/50/11/655315011.db2.gz HOQOLJPABVTVDC-LDYMZIIASA-N 1 0 385.218 1.410 20 5 GDBDRO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841232465 655316118 /nfs/dbraw/zinc/31/61/18/655316118.db2.gz SRFZJNAWZXNXAK-SNVBAGLBSA-N 1 0 399.245 1.883 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000843076180 655388008 /nfs/dbraw/zinc/38/80/08/655388008.db2.gz RNJCAVJFEQGNFU-BXUZGUMPSA-N 1 0 375.212 1.782 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000846229252 655450148 /nfs/dbraw/zinc/45/01/48/655450148.db2.gz JIZVXMLPMWSNGU-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000847567888 655472182 /nfs/dbraw/zinc/47/21/82/655472182.db2.gz TVEOMAXPTQLPPV-JGZJWPJOSA-N 1 0 399.245 1.752 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[NH2+]1 ZINC000858631907 655751464 /nfs/dbraw/zinc/75/14/64/655751464.db2.gz JQMMVHSIEXXEAS-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO COc1c(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000858640273 655751811 /nfs/dbraw/zinc/75/18/11/655751811.db2.gz KGWAKLYYCSHWAM-ZETCQYMHSA-N 1 0 396.263 1.642 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866827454 655967568 /nfs/dbraw/zinc/96/75/68/655967568.db2.gz NDAQBUILTZUQDD-RYUDHWBXSA-N 1 0 390.259 1.872 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000867026255 655988668 /nfs/dbraw/zinc/98/86/68/655988668.db2.gz UUKCDRVDQVBFBC-CHWSQXEVSA-N 1 0 377.463 1.708 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC000871812280 656281532 /nfs/dbraw/zinc/28/15/32/656281532.db2.gz AXWMKCLQYOSBHD-TVQRCGJNSA-N 1 0 390.259 1.587 20 5 GDBDRO COCCN(CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000872632280 656368140 /nfs/dbraw/zinc/36/81/40/656368140.db2.gz YCCLGICCAHPKMB-UHFFFAOYSA-N 1 0 390.282 1.802 20 5 GDBDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000924990689 656690542 /nfs/dbraw/zinc/69/05/42/656690542.db2.gz WSLKWKQOKFRDNW-DTWKUNHWSA-N 1 0 376.182 1.291 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1Br ZINC000903597535 659358036 /nfs/dbraw/zinc/35/80/36/659358036.db2.gz YBKNYPQBMRMVBY-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164826334 720324640 /nfs/dbraw/zinc/32/46/40/720324640.db2.gz GGYFABUFKILKEI-JKSUJKDBSA-N 1 0 388.472 1.484 20 5 GDBDRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001164824416 720349697 /nfs/dbraw/zinc/34/96/97/720349697.db2.gz IILDSAYDHMWBOP-CVEARBPZSA-N 1 0 388.472 1.605 20 5 GDBDRO CSc1nc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164926726 721866507 /nfs/dbraw/zinc/86/65/07/721866507.db2.gz SIZOSGXMPAKUQM-GHMZBOCLSA-N 1 0 386.909 1.975 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164975508 722100484 /nfs/dbraw/zinc/10/04/84/722100484.db2.gz CBWDTCMTRVNDHP-WMZOPIPTSA-N 1 0 385.424 1.351 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164979735 722137741 /nfs/dbraw/zinc/13/77/41/722137741.db2.gz LWRDXQISPVPWHW-YJBOKZPZSA-N 1 0 384.440 1.694 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000823620999 946458364 /nfs/dbraw/zinc/45/83/64/946458364.db2.gz VIYCUTRQBXFVOE-ZIAGYGMSSA-N 1 0 388.432 1.350 20 5 GDBDRO O=C([O-])c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000566293916 974604430 /nfs/dbraw/zinc/60/44/30/974604430.db2.gz KHTJDBDLXJRFQD-UHFFFAOYSA-N 1 0 386.412 1.707 20 5 GDBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603564991 1126227609 /nfs/dbraw/zinc/22/76/09/1126227609.db2.gz DYCJHDONTGIAQL-GOSISDBHSA-N 1 0 386.387 1.997 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000161570774 530562360 /nfs/dbraw/zinc/56/23/60/530562360.db2.gz IJOOJIOUCHRMAD-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000038039714 530617045 /nfs/dbraw/zinc/61/70/45/530617045.db2.gz NJGNVWPIVUIART-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)[NH+](C)C ZINC000038108646 530617697 /nfs/dbraw/zinc/61/76/97/530617697.db2.gz MJSDHLLSNBQXHH-QMMMGPOBSA-N 1 0 377.182 1.879 20 5 GDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCSCC2)c([N+](=O)[O-])c1 ZINC000052360981 530684333 /nfs/dbraw/zinc/68/43/33/530684333.db2.gz ISIXAULSBZPXTQ-UHFFFAOYSA-N 1 0 388.515 1.378 20 5 GDBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000182928843 530807197 /nfs/dbraw/zinc/80/71/97/530807197.db2.gz AXAPQNBCWNYLTH-UHFFFAOYSA-N 1 0 375.422 1.167 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184148834 530825166 /nfs/dbraw/zinc/82/51/66/530825166.db2.gz XEDPQYHAEHLRLJ-UHFFFAOYSA-N 1 0 399.245 1.815 20 5 GDBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000189020289 530905509 /nfs/dbraw/zinc/90/55/09/530905509.db2.gz IEVHOLOVCOIEIF-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000195329172 531020970 /nfs/dbraw/zinc/02/09/70/531020970.db2.gz ACGSFSNOCJEWIN-UHFFFAOYSA-N 1 0 380.264 1.848 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000261864069 531100960 /nfs/dbraw/zinc/10/09/60/531100960.db2.gz SLWBSDLNOVJCHG-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262060134 531106350 /nfs/dbraw/zinc/10/63/50/531106350.db2.gz IJNAYGBANWQGAU-UHFFFAOYSA-N 1 0 389.861 1.373 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000521042531 531239109 /nfs/dbraw/zinc/23/91/09/531239109.db2.gz JEXKIDAFYMSCKA-HTQZYQBOSA-N 1 0 377.182 1.973 20 5 GDBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000440834155 531347341 /nfs/dbraw/zinc/34/73/41/531347341.db2.gz QOFHJEBWDFAMPT-UHFFFAOYSA-N 1 0 396.263 1.514 20 5 GDBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415522960 531491848 /nfs/dbraw/zinc/49/18/48/531491848.db2.gz XQIAZQPUEWYSRN-UHFFFAOYSA-N 1 0 387.234 1.720 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000415825386 531538169 /nfs/dbraw/zinc/53/81/69/531538169.db2.gz ZMVNQAZHNUXDJT-CYBMUJFWSA-N 1 0 399.245 1.930 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415873884 531548541 /nfs/dbraw/zinc/54/85/41/531548541.db2.gz VQDIWVGAFKYLKS-NXEZZACHSA-N 1 0 397.229 1.364 20 5 GDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295453950 531580214 /nfs/dbraw/zinc/58/02/14/531580214.db2.gz MGUJWRYYOTUHOR-CYBMUJFWSA-N 1 0 386.246 1.934 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416553418 531676221 /nfs/dbraw/zinc/67/62/21/531676221.db2.gz IRLNTSLTNXHUAZ-LLVKDONJSA-N 1 0 375.422 1.753 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000590548377 531690366 /nfs/dbraw/zinc/69/03/66/531690366.db2.gz BHOBNUZGMKEOFA-NSHDSACASA-N 1 0 386.246 1.852 20 5 GDBDRO CCc1ncc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000561970906 531728910 /nfs/dbraw/zinc/72/89/10/531728910.db2.gz GDYDQFMJFOQZTK-UHFFFAOYSA-N 1 0 384.483 1.983 20 5 GDBDRO O=C(NCC[NH2+]C1CC1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591679256 531734274 /nfs/dbraw/zinc/73/42/74/531734274.db2.gz WAEATLBUGWCQGX-UHFFFAOYSA-N 1 0 375.166 1.681 20 5 GDBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592303265 531777427 /nfs/dbraw/zinc/77/74/27/531777427.db2.gz OMHJBKZQQBDJAS-UHFFFAOYSA-N 1 0 396.205 1.137 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000367831137 531869155 /nfs/dbraw/zinc/86/91/55/531869155.db2.gz GQEAMJOOJVFOKC-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595405779 531881247 /nfs/dbraw/zinc/88/12/47/531881247.db2.gz ZZWBHPRSOINRPW-CYBMUJFWSA-N 1 0 375.422 1.465 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC([NH2+]CCO)CC1 ZINC000270503611 531881564 /nfs/dbraw/zinc/88/15/64/531881564.db2.gz HCKAFGZUFQRRPM-UHFFFAOYSA-N 1 0 379.385 1.142 20 5 GDBDRO COc1cc(S(=O)(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000271027371 531956293 /nfs/dbraw/zinc/95/62/93/531956293.db2.gz GSAHYKXGFRECBH-OCCSQVGLSA-N 1 0 375.472 1.270 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000420468026 532020731 /nfs/dbraw/zinc/02/07/31/532020731.db2.gz DZZNRHUMGLAWHG-JTQLQIEISA-N 1 0 394.247 1.096 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000581428952 532080726 /nfs/dbraw/zinc/08/07/26/532080726.db2.gz MOWGEISQQWKIKB-ONGXEEELSA-N 1 0 379.360 1.986 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000376723308 532226400 /nfs/dbraw/zinc/22/64/00/532226400.db2.gz NHZQVDIZBGBUPL-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821169894 599567035 /nfs/dbraw/zinc/56/70/35/599567035.db2.gz HVYJVNKRJDKSFZ-LRDDRELGSA-N 1 0 386.416 1.415 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826077821 608020581 /nfs/dbraw/zinc/02/05/81/608020581.db2.gz WYAAZHMYZWHUIC-UHFFFAOYSA-N 1 0 399.415 1.221 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1-c1nn[nH]n1 ZINC000826077458 608022105 /nfs/dbraw/zinc/02/21/05/608022105.db2.gz ITWYKUOPJRXLDI-UHFFFAOYSA-N 1 0 399.415 1.140 20 5 GDBDRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000825976993 609490328 /nfs/dbraw/zinc/49/03/28/609490328.db2.gz VBOAWNKDTWWSCZ-OAHLLOKOSA-N 1 0 384.396 1.647 20 5 GDBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCN1C ZINC000110732368 644625687 /nfs/dbraw/zinc/62/56/87/644625687.db2.gz FCFNNOKHBTYAJU-VIFPVBQESA-N 1 0 389.193 1.976 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000331898049 645539479 /nfs/dbraw/zinc/53/94/79/645539479.db2.gz GKEXEKXSZIWQTO-HOTGVXAUSA-N 1 0 385.511 1.936 20 5 GDBDRO C[N@@H+]1CCC[C@H](CNc2c(I)cncc2[N+](=O)[O-])C1 ZINC000570618738 651047067 /nfs/dbraw/zinc/04/70/67/651047067.db2.gz PPVLZABIIQILPH-SECBINFHSA-N 1 0 376.198 1.770 20 5 GDBDRO O=C(CN1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000462408213 647527380 /nfs/dbraw/zinc/52/73/80/647527380.db2.gz IGDSJTORWFMELN-HNNXBMFYSA-N 1 0 383.246 1.981 20 5 GDBDRO CCc1cnc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000578175276 651778439 /nfs/dbraw/zinc/77/84/39/651778439.db2.gz ALPBQXKARNVDIX-UHFFFAOYSA-N 1 0 384.483 1.983 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592381254 652185502 /nfs/dbraw/zinc/18/55/02/652185502.db2.gz CNBUTOMPGXBPTO-TVQRCGJNSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000592390278 652188439 /nfs/dbraw/zinc/18/84/39/652188439.db2.gz NSNSZBFAMLQDKX-GFCCVEGCSA-N 1 0 390.259 1.778 20 5 GDBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592552450 652194215 /nfs/dbraw/zinc/19/42/15/652194215.db2.gz HNHDTTVTWMELEL-LBPRGKRZSA-N 1 0 386.202 1.334 20 5 GDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593733831 652245688 /nfs/dbraw/zinc/24/56/88/652245688.db2.gz LAUZQBPVADLYMN-IJLUTSLNSA-N 1 0 375.472 1.563 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000594816051 652372092 /nfs/dbraw/zinc/37/20/92/652372092.db2.gz DIDPKNDLJIEYGU-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO C[C@H](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000594817123 652372321 /nfs/dbraw/zinc/37/23/21/652372321.db2.gz NVLCOMWWRDYVEJ-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599106771 652478673 /nfs/dbraw/zinc/47/86/73/652478673.db2.gz IHUAOAJFBKHQMT-UHFFFAOYSA-N 1 0 385.364 1.470 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599108251 652478913 /nfs/dbraw/zinc/47/89/13/652478913.db2.gz UQFLOELDZHBOHC-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599892419 652516939 /nfs/dbraw/zinc/51/69/39/652516939.db2.gz WPXGMEDTLBWHFB-GFCCVEGCSA-N 1 0 397.229 1.697 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000601470009 652585832 /nfs/dbraw/zinc/58/58/32/652585832.db2.gz XSERSXXQYIDFMQ-LBPRGKRZSA-N 1 0 377.488 1.696 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768849713 654436610 /nfs/dbraw/zinc/43/66/10/654436610.db2.gz XJPFRMULXYUWRV-LBPRGKRZSA-N 1 0 377.488 1.778 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768865068 654438554 /nfs/dbraw/zinc/43/85/54/654438554.db2.gz YOZMSPORSAGBLU-WXHSDQCUSA-N 1 0 375.472 1.529 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000702652436 654832604 /nfs/dbraw/zinc/83/26/04/654832604.db2.gz ZTURFZWNVUQTAX-YUMQZZPRSA-N 1 0 375.166 1.761 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000784681201 654894121 /nfs/dbraw/zinc/89/41/21/654894121.db2.gz MODVDKAOIVGPCC-JTQLQIEISA-N 1 0 399.245 1.815 20 5 GDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000830554098 654949419 /nfs/dbraw/zinc/94/94/19/654949419.db2.gz OPQNPBPDBXPJKZ-AWEZNQCLSA-N 1 0 383.202 1.531 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813738431 655244287 /nfs/dbraw/zinc/24/42/87/655244287.db2.gz HKWLQSVZKDWWQQ-TVQRCGJNSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000813740578 655244502 /nfs/dbraw/zinc/24/45/02/655244502.db2.gz CESRAIPTAUFYEB-CABZTGNLSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)[C@H]2C1 ZINC000813741833 655244925 /nfs/dbraw/zinc/24/49/25/655244925.db2.gz VHVODUBQFQOCIW-RNCFNFMXSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000815703681 655302552 /nfs/dbraw/zinc/30/25/52/655302552.db2.gz KSQINJFYNRCQCE-RNCFNFMXSA-N 1 0 397.229 1.458 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000841200452 655313841 /nfs/dbraw/zinc/31/38/41/655313841.db2.gz BUMFQLOUPDKFAU-SNVBAGLBSA-N 1 0 385.218 1.458 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000841214763 655314754 /nfs/dbraw/zinc/31/47/54/655314754.db2.gz RUELAGQDBOBCQT-HNNXBMFYSA-N 1 0 397.229 1.508 20 5 GDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000841228043 655315786 /nfs/dbraw/zinc/31/57/86/655315786.db2.gz GMKCVKTWRZOSJK-SECBINFHSA-N 1 0 387.234 1.718 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@H]1C[NH3+] ZINC000842485514 655368180 /nfs/dbraw/zinc/36/81/80/655368180.db2.gz IYVSJAAMQRWYLP-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000842708203 655372550 /nfs/dbraw/zinc/37/25/50/655372550.db2.gz JIISPMXENMIBFZ-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000842719909 655373404 /nfs/dbraw/zinc/37/34/04/655373404.db2.gz NUEPQNNQQCPKGE-LDYMZIIASA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000844148868 655407945 /nfs/dbraw/zinc/40/79/45/655407945.db2.gz HQLGIBXSWCSPHO-JTQLQIEISA-N 1 0 399.245 1.549 20 5 GDBDRO CCO[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C[NH3+] ZINC000846232922 655450404 /nfs/dbraw/zinc/45/04/04/655450404.db2.gz WYOXVJWBRPVKQD-ZWNOBZJWSA-N 1 0 377.850 1.541 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000858626851 655751142 /nfs/dbraw/zinc/75/11/42/655751142.db2.gz MVENNXVSNVFDLK-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866828195 655967763 /nfs/dbraw/zinc/96/77/63/655967763.db2.gz VQDUXAWFQOFQGM-QWRGUYRKSA-N 1 0 390.259 1.872 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])cc(Cl)c3F)C[C@]2(C)C1 ZINC000907566274 659785433 /nfs/dbraw/zinc/78/54/33/659785433.db2.gz ZBZJMRPATGGHNG-OTYXRUKQSA-N 1 0 377.825 1.960 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(C)cc(OC)c1[N+](=O)[O-])CC2 ZINC001164686041 719716773 /nfs/dbraw/zinc/71/67/73/719716773.db2.gz WGEBJKPPWFDTIE-UHFFFAOYSA-N 1 0 377.445 1.488 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164690223 719753142 /nfs/dbraw/zinc/75/31/42/719753142.db2.gz VTUVTGUQEXIFDU-UHFFFAOYSA-N 1 0 384.440 1.719 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001164821609 720290301 /nfs/dbraw/zinc/29/03/01/720290301.db2.gz LINPAYHIKVDGSR-DLBZAZTESA-N 1 0 389.456 1.140 20 5 GDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164745336 720800675 /nfs/dbraw/zinc/80/06/75/720800675.db2.gz JYZIOICLAMHPLY-UONOGXRCSA-N 1 0 393.407 1.670 20 5 GDBDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164751403 720945706 /nfs/dbraw/zinc/94/57/06/720945706.db2.gz RDAOMGBNSPBORH-UHFFFAOYSA-N 1 0 394.819 1.485 20 5 GDBDRO Cc1ccnc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164868610 721267534 /nfs/dbraw/zinc/26/75/34/721267534.db2.gz FCSVODYQZKXREL-UHFFFAOYSA-N 1 0 391.472 1.305 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc(F)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164887170 721393488 /nfs/dbraw/zinc/39/34/88/721393488.db2.gz HGKZSLNWLIQWDS-LPHOPBHVSA-N 1 0 393.463 1.894 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903045 721533629 /nfs/dbraw/zinc/53/36/29/721533629.db2.gz BWEZQKQFTKCTMJ-UKRRQHHQSA-N 1 0 389.387 1.874 20 5 GDBDRO COc1ncnc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1[N+](=O)[O-] ZINC001165001614 722253325 /nfs/dbraw/zinc/25/33/25/722253325.db2.gz CWSAARLSXRTTSJ-UHFFFAOYSA-N 1 0 391.432 1.078 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000161716899 530563267 /nfs/dbraw/zinc/56/32/67/530563267.db2.gz NSQLGBDDYLLIJI-ZDUSSCGKSA-N 1 0 391.877 1.763 20 5 GDBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000037253241 530615743 /nfs/dbraw/zinc/61/57/43/530615743.db2.gz GTFUNTCDGVQFGD-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000173430583 530629660 /nfs/dbraw/zinc/62/96/60/530629660.db2.gz JNUNNBZRRSOCKC-UHFFFAOYSA-N 1 0 379.866 1.803 20 5 GDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183913588 530822434 /nfs/dbraw/zinc/82/24/34/530822434.db2.gz NULALJPXRWAELV-CQSZACIVSA-N 1 0 382.214 1.842 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187177118 530868194 /nfs/dbraw/zinc/86/81/94/530868194.db2.gz MGNXEMCZLSQVDL-MNOVXSKESA-N 1 0 375.422 1.846 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000188224568 530889650 /nfs/dbraw/zinc/88/96/50/530889650.db2.gz YXBZUJASVHZILU-NSHDSACASA-N 1 0 377.438 1.997 20 5 GDBDRO COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000190372023 530929062 /nfs/dbraw/zinc/92/90/62/530929062.db2.gz YIMUJLFSKHUSGM-ZDUSSCGKSA-N 1 0 377.488 1.529 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000195305427 531019853 /nfs/dbraw/zinc/01/98/53/531019853.db2.gz WHXCHNZNIXLLBO-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000195302903 531020260 /nfs/dbraw/zinc/02/02/60/531020260.db2.gz QBBPTRNEZMMDHV-AOOOYVTPSA-N 1 0 390.259 1.506 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000124829148 531000201 /nfs/dbraw/zinc/00/02/01/531000201.db2.gz DIZZINITZWTGLB-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO CO[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261725591 531097470 /nfs/dbraw/zinc/09/74/70/531097470.db2.gz RDGIDJSSBRMSMN-QWRGUYRKSA-N 1 0 377.850 1.683 20 5 GDBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000261926738 531102725 /nfs/dbraw/zinc/10/27/25/531102725.db2.gz ZIQKXBQSDHVFEY-GFCCVEGCSA-N 1 0 378.248 1.717 20 5 GDBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000151635967 531140975 /nfs/dbraw/zinc/14/09/75/531140975.db2.gz XKFNPOICLLRXAS-GFCCVEGCSA-N 1 0 398.261 1.495 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000521042535 531238822 /nfs/dbraw/zinc/23/88/22/531238822.db2.gz JEXKIDAFYMSCKA-YUMQZZPRSA-N 1 0 377.182 1.973 20 5 GDBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440340015 531333633 /nfs/dbraw/zinc/33/36/33/531333633.db2.gz KVXDRSLGSVCPTL-JTQLQIEISA-N 1 0 378.248 1.859 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])c1 ZINC000413464011 531406873 /nfs/dbraw/zinc/40/68/73/531406873.db2.gz YPPRNTYRIDIQFF-RYUDHWBXSA-N 1 0 386.499 1.129 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000267864241 531457925 /nfs/dbraw/zinc/45/79/25/531457925.db2.gz JOXQSJVYEHVSEX-ZDUSSCGKSA-N 1 0 375.447 1.239 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415685953 531513653 /nfs/dbraw/zinc/51/36/53/531513653.db2.gz HFWOPFKJVDZOOX-AWEZNQCLSA-N 1 0 385.218 1.493 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415568126 531497078 /nfs/dbraw/zinc/49/70/78/531497078.db2.gz KBHOJDGAEDKLGB-UWVGGRQHSA-N 1 0 399.245 1.800 20 5 GDBDRO O=C(NCCN1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269128726 531612679 /nfs/dbraw/zinc/61/26/79/531612679.db2.gz HPNYNSSDXWDMIY-UHFFFAOYSA-N 1 0 375.198 1.131 20 5 GDBDRO C[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000560184582 531629870 /nfs/dbraw/zinc/62/98/70/531629870.db2.gz OFZLFDURNWMGSG-SNVBAGLBSA-N 1 0 399.245 1.896 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592387846 531783698 /nfs/dbraw/zinc/78/36/98/531783698.db2.gz JYVKDMLMEPYXOE-ONGXEEELSA-N 1 0 396.238 1.678 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000595119897 531867107 /nfs/dbraw/zinc/86/71/07/531867107.db2.gz MQPMVLWQPMMNSD-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO CS[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000596197609 531912600 /nfs/dbraw/zinc/91/26/00/531912600.db2.gz SMILZQFVFPFDBK-KGLIPLIRSA-N 1 0 386.499 1.258 20 5 GDBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000597573746 531946697 /nfs/dbraw/zinc/94/66/97/531946697.db2.gz ICOJEELKZXQKKS-OAHLLOKOSA-N 1 0 386.246 1.886 20 5 GDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000597575477 531946941 /nfs/dbraw/zinc/94/69/41/531946941.db2.gz YYRJWNOUUZWOSN-HNNXBMFYSA-N 1 0 386.246 1.886 20 5 GDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270982212 531951009 /nfs/dbraw/zinc/95/10/09/531951009.db2.gz SBWXNVJYBQPZQA-LBPRGKRZSA-N 1 0 398.261 1.495 20 5 GDBDRO CC[NH+]1CCN([C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000271279503 531995363 /nfs/dbraw/zinc/99/53/63/531995363.db2.gz NTTZWKMPJFONCH-LBPRGKRZSA-N 1 0 388.515 1.276 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000599103096 532006232 /nfs/dbraw/zinc/00/62/32/532006232.db2.gz SFPXPVGXDPPLCG-AAEUAGOBSA-N 1 0 381.376 1.884 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000599103074 532006593 /nfs/dbraw/zinc/00/65/93/532006593.db2.gz RWHKPEAPIMTBMA-IUCAKERBSA-N 1 0 385.339 1.882 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000599101096 532005054 /nfs/dbraw/zinc/00/50/54/532005054.db2.gz MFZHXERFOGUUJV-DGCLKSJQSA-N 1 0 381.376 1.884 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000420452521 532015794 /nfs/dbraw/zinc/01/57/94/532015794.db2.gz JJDRNTWCHKVIRB-LLVKDONJSA-N 1 0 394.247 1.014 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@]1(C)C[NH3+] ZINC000420467608 532020316 /nfs/dbraw/zinc/02/03/16/532020316.db2.gz YQHFPEHPSPPCNB-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000576936766 532030694 /nfs/dbraw/zinc/03/06/94/532030694.db2.gz RWRIBLZQEMZQBH-UHFFFAOYSA-N 1 0 390.483 1.173 20 5 GDBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000273094864 532134001 /nfs/dbraw/zinc/13/40/01/532134001.db2.gz KJQQTYNZPCTACJ-CQSZACIVSA-N 1 0 382.214 1.842 20 5 GDBDRO CS[C@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275876822 532313604 /nfs/dbraw/zinc/31/36/04/532313604.db2.gz WDBIPSNXYNNUDG-STQMWFEESA-N 1 0 386.499 1.258 20 5 GDBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289945906 532334426 /nfs/dbraw/zinc/33/44/26/532334426.db2.gz PVUSFEHTSFNMJT-MRVPVSSYSA-N 1 0 377.182 1.814 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1CC ZINC000736623196 598672502 /nfs/dbraw/zinc/67/25/02/598672502.db2.gz CECYXZFGCLVHHV-ZDUSSCGKSA-N 1 0 375.433 1.712 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC000738370029 599358520 /nfs/dbraw/zinc/35/85/20/599358520.db2.gz MUFQKPQBDWZMAM-CQSZACIVSA-N 1 0 396.411 1.735 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821188862 606140052 /nfs/dbraw/zinc/14/00/52/606140052.db2.gz DKLQSCZHGHMMMH-CYBMUJFWSA-N 1 0 376.421 1.107 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000823620583 606710991 /nfs/dbraw/zinc/71/09/91/606710991.db2.gz MVNDFQWKLFXBER-UHFFFAOYSA-N 1 0 388.432 1.617 20 5 GDBDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1nn[nH]n1 ZINC000826082861 608020418 /nfs/dbraw/zinc/02/04/18/608020418.db2.gz CEEJPRJCBFMROL-UHFFFAOYSA-N 1 0 385.388 1.211 20 5 GDBDRO C[C@H]([NH2+]CC(=O)NCc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824564854 608468538 /nfs/dbraw/zinc/46/85/38/608468538.db2.gz WWSXAPBHBUSURA-LBPRGKRZSA-N 1 0 381.396 1.742 20 5 GDBDRO O=C(NCCC[NH+]1CCCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551406510 650606472 /nfs/dbraw/zinc/60/64/72/650606472.db2.gz MEISYLKUQOGKDB-UHFFFAOYSA-N 1 0 399.245 1.898 20 5 GDBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000123541069 644696942 /nfs/dbraw/zinc/69/69/42/644696942.db2.gz QNZRLZCFGBBWEF-UHFFFAOYSA-N 1 0 378.248 1.906 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCCC1 ZINC000124050897 644702637 /nfs/dbraw/zinc/70/26/37/644702637.db2.gz XTYBDOVJLQDTTK-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000261943450 645119963 /nfs/dbraw/zinc/11/99/63/645119963.db2.gz VDQWFQDRHVSGOW-GFCCVEGCSA-N 1 0 385.262 1.644 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000569458671 651001250 /nfs/dbraw/zinc/00/12/50/651001250.db2.gz OHXZPGMORUSZDU-CYBMUJFWSA-N 1 0 384.889 1.846 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000370337248 645684731 /nfs/dbraw/zinc/68/47/31/645684731.db2.gz IRBFXOTZWFMYIK-ZIAGYGMSSA-N 1 0 398.257 1.879 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000440439168 646243407 /nfs/dbraw/zinc/24/34/07/646243407.db2.gz YWONVJHUZJSCQM-WCBMZHEXSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440445339 646244134 /nfs/dbraw/zinc/24/41/34/646244134.db2.gz VRYKTBXBHCACNL-NSHDSACASA-N 1 0 390.259 1.872 20 5 GDBDRO C[NH+]1CCN(CC2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000917903309 660224349 /nfs/dbraw/zinc/22/43/49/660224349.db2.gz KJGFVUWNWKNUOD-UHFFFAOYSA-N 1 0 388.877 1.116 20 5 GDBDRO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000517565192 648569312 /nfs/dbraw/zinc/56/93/12/648569312.db2.gz SXSCMSYIZYJKPL-AOOOYVTPSA-N 1 0 387.177 1.491 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2cccc(Br)c2)c1 ZINC000571277228 651071048 /nfs/dbraw/zinc/07/10/48/651071048.db2.gz BRVOMBJDMIKKIL-CYBMUJFWSA-N 1 0 385.218 1.583 20 5 GDBDRO C[NH+](C)CCOc1cnccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000573948076 651503701 /nfs/dbraw/zinc/50/37/01/651503701.db2.gz URKWLVSETDINRW-UHFFFAOYSA-N 1 0 386.455 1.470 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2COCCOC2)c1 ZINC000589938481 652122322 /nfs/dbraw/zinc/12/23/22/652122322.db2.gz SLWWIFXEBQNPHU-UHFFFAOYSA-N 1 0 378.166 1.704 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591302477 652160253 /nfs/dbraw/zinc/16/02/53/652160253.db2.gz JFDHPQIMTVUBHL-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000594359386 652280451 /nfs/dbraw/zinc/28/04/51/652280451.db2.gz GYLNCNYHMCPRQH-VIFPVBQESA-N 1 0 387.234 1.153 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000595385190 652415829 /nfs/dbraw/zinc/41/58/29/652415829.db2.gz VQHPJLMVMIZJEU-GFCCVEGCSA-N 1 0 375.472 1.184 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCO1 ZINC000596565773 652440217 /nfs/dbraw/zinc/44/02/17/652440217.db2.gz FXSRRECNLUHFFW-LLVKDONJSA-N 1 0 377.488 1.607 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597625552 652455367 /nfs/dbraw/zinc/45/53/67/652455367.db2.gz PHALVOOWPKBCAC-CQSZACIVSA-N 1 0 383.246 1.477 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939332 652519109 /nfs/dbraw/zinc/51/91/09/652519109.db2.gz HJZIJZHXAOICHY-WDEREUQCSA-N 1 0 384.230 1.638 20 5 GDBDRO CC[NH+]1CCN(CC(C)(C)NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601433315 652581438 /nfs/dbraw/zinc/58/14/38/652581438.db2.gz GIAVMTQXUNIBIV-UHFFFAOYSA-N 1 0 390.531 1.659 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000601448858 652583187 /nfs/dbraw/zinc/58/31/87/652583187.db2.gz QIWLMRONNYOMPQ-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[N@@H+]1CCCN(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603404729 652711667 /nfs/dbraw/zinc/71/16/67/652711667.db2.gz YFTIOUPPELRCHM-UHFFFAOYSA-N 1 0 390.893 1.554 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798168278 655255537 /nfs/dbraw/zinc/25/55/37/655255537.db2.gz DVISQTSBZIJAQT-JTQLQIEISA-N 1 0 386.250 1.118 20 5 GDBDRO COC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+](C)C1 ZINC000839630193 655258388 /nfs/dbraw/zinc/25/83/88/655258388.db2.gz GOQOQGRFHNCISJ-LBPRGKRZSA-N 1 0 386.246 1.894 20 5 GDBDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841167402 655311761 /nfs/dbraw/zinc/31/17/61/655311761.db2.gz AOBVXFLFPCHSQI-UHFFFAOYSA-N 1 0 387.234 1.800 20 5 GDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841180299 655312363 /nfs/dbraw/zinc/31/23/63/655312363.db2.gz XEFZLQKJCXYGMN-GZMMTYOYSA-N 1 0 385.218 1.492 20 5 GDBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841193933 655313188 /nfs/dbraw/zinc/31/31/88/655313188.db2.gz GDPGUGFLYYAKFR-SNVBAGLBSA-N 1 0 387.234 1.930 20 5 GDBDRO O=C(NCC1C[NH2+]C1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841233860 655316093 /nfs/dbraw/zinc/31/60/93/655316093.db2.gz JJNAGUROZOUDSM-UHFFFAOYSA-N 1 0 376.154 1.540 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841234673 655316281 /nfs/dbraw/zinc/31/62/81/655316281.db2.gz SBQWMEWHQPFHSM-HNNXBMFYSA-N 1 0 399.245 1.802 20 5 GDBDRO CC1(C)CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000841269729 655318264 /nfs/dbraw/zinc/31/82/64/655318264.db2.gz WQXKPJQPTRJDJQ-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1Br ZINC000817859424 655360880 /nfs/dbraw/zinc/36/08/80/655360880.db2.gz DFPQZILSAGZNFU-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)ccc1Br ZINC000842481430 655367162 /nfs/dbraw/zinc/36/71/62/655367162.db2.gz IWDCWDGFUGAWHA-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843048270 655387360 /nfs/dbraw/zinc/38/73/60/655387360.db2.gz WAXOADLJXCWAPE-LLVKDONJSA-N 1 0 385.262 1.644 20 5 GDBDRO [NH3+]CCCCCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000843052614 655387526 /nfs/dbraw/zinc/38/75/26/655387526.db2.gz ATFISCMQRDZKBW-UHFFFAOYSA-N 1 0 387.234 1.931 20 5 GDBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000843098301 655388464 /nfs/dbraw/zinc/38/84/64/655388464.db2.gz NXYBRCBEJHOBFX-KGLIPLIRSA-N 1 0 386.451 1.114 20 5 GDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000843098266 655388501 /nfs/dbraw/zinc/38/85/01/655388501.db2.gz NEIVLWIJWOWDRB-ZIAGYGMSSA-N 1 0 386.451 1.114 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCO1 ZINC000843356973 655393608 /nfs/dbraw/zinc/39/36/08/655393608.db2.gz LISKMLDOMNTUJJ-HQJQHLMTSA-N 1 0 376.182 1.685 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849423262 655532571 /nfs/dbraw/zinc/53/25/71/655532571.db2.gz KMGWWFIPPJYITM-LBPRGKRZSA-N 1 0 376.454 1.284 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCN(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000849428472 655533602 /nfs/dbraw/zinc/53/36/02/655533602.db2.gz BROUINNMPWTTFF-UHFFFAOYSA-N 1 0 376.454 1.204 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000858615066 655750489 /nfs/dbraw/zinc/75/04/89/655750489.db2.gz DNAHGXPMIZTSPH-CYBMUJFWSA-N 1 0 392.275 1.976 20 5 GDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000886890338 657718871 /nfs/dbraw/zinc/71/88/71/657718871.db2.gz FSMWBKJIZQKQHL-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000886890271 657719167 /nfs/dbraw/zinc/71/91/67/657719167.db2.gz CLAKMDQWNTZXNB-VIFPVBQESA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903594238 659357605 /nfs/dbraw/zinc/35/76/05/659357605.db2.gz CNHJMJCYAHFZBG-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001164422755 718913643 /nfs/dbraw/zinc/91/36/43/718913643.db2.gz AQCSNHZYUBZVFP-CQSZACIVSA-N 1 0 392.790 1.773 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164614346 719013818 /nfs/dbraw/zinc/01/38/18/719013818.db2.gz FBGVQYRYJPYEAU-DVVUODLYSA-N 1 0 390.774 1.918 20 5 GDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164737125 720681892 /nfs/dbraw/zinc/68/18/92/720681892.db2.gz DNDFCWSSTOFIQW-LSDHHAIUSA-N 1 0 393.407 1.670 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737419 720825158 /nfs/dbraw/zinc/82/51/58/720825158.db2.gz AYZHGZGSPKUFEN-GVDBMIGSSA-N 1 0 398.471 1.664 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC[C@H]2C1 ZINC001164852026 720864500 /nfs/dbraw/zinc/86/45/00/720864500.db2.gz BSRHIIPZUVHJPT-JSGCOSHPSA-N 1 0 386.836 1.055 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cccc([N+](=O)[O-])c43)CC[C@H]2C1 ZINC001164852961 720886724 /nfs/dbraw/zinc/88/67/24/720886724.db2.gz ARIRMEZZKXYNEX-WMLDXEAASA-N 1 0 387.440 1.712 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871373 721042119 /nfs/dbraw/zinc/04/21/19/721042119.db2.gz YKBWYFVVDNUDDA-GJZGRUSLSA-N 1 0 386.412 1.268 20 5 GDBDRO Nc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164976570 722126428 /nfs/dbraw/zinc/12/64/28/722126428.db2.gz LVEYSRJHEFXDCQ-NVXWUHKLSA-N 1 0 384.440 1.694 20 5 GDBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603564992 1126227466 /nfs/dbraw/zinc/22/74/66/1126227466.db2.gz DYCJHDONTGIAQL-SFHVURJKSA-N 1 0 386.387 1.997 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000158998273 530538108 /nfs/dbraw/zinc/53/81/08/530538108.db2.gz DCPBQAWZBVAEAQ-UHFFFAOYSA-N 1 0 377.850 1.373 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000173851960 530638411 /nfs/dbraw/zinc/63/84/11/530638411.db2.gz MZSKMAZOQCRIKH-UHFFFAOYSA-N 1 0 389.499 1.922 20 5 GDBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)N1CC[NH+](C)CC1 ZINC000180568312 530767761 /nfs/dbraw/zinc/76/77/61/530767761.db2.gz HOGHJBQZPXSODF-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO Cc1sc(C(=O)N(CCC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000097160703 530819639 /nfs/dbraw/zinc/81/96/39/530819639.db2.gz PKNLCYWGQNMASR-LBPRGKRZSA-N 1 0 389.499 1.546 20 5 GDBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000189114821 530908080 /nfs/dbraw/zinc/90/80/80/530908080.db2.gz QRTXNFYPVNRPSZ-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119696619 530929487 /nfs/dbraw/zinc/92/94/87/530929487.db2.gz XYXCUGPKOQBRBS-UHFFFAOYSA-N 1 0 391.877 1.716 20 5 GDBDRO C[N@H+](CCCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000119691928 530929909 /nfs/dbraw/zinc/92/99/09/530929909.db2.gz NODZCQGXERBEIJ-UHFFFAOYSA-N 1 0 375.422 1.201 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@@H]2C1 ZINC000192917818 530975502 /nfs/dbraw/zinc/97/55/02/530975502.db2.gz YOFUDHHZFOBVSI-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000124366669 530994777 /nfs/dbraw/zinc/99/47/77/530994777.db2.gz RYRVLFPZVCLWMK-GFCCVEGCSA-N 1 0 377.488 1.480 20 5 GDBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000134250151 531098355 /nfs/dbraw/zinc/09/83/55/531098355.db2.gz NRLGGORMNDAKDD-UHFFFAOYSA-N 1 0 382.467 1.997 20 5 GDBDRO COc1c(S(=O)(=O)NCCC[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262757948 531129524 /nfs/dbraw/zinc/12/95/24/531129524.db2.gz IMVXHJUQAUFXCR-UHFFFAOYSA-N 1 0 382.236 1.301 20 5 GDBDRO CN(CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccc(Br)cn1 ZINC000157937933 531207441 /nfs/dbraw/zinc/20/74/41/531207441.db2.gz LWWKZNKEYRCCTE-UHFFFAOYSA-N 1 0 383.206 1.519 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277006764 531248178 /nfs/dbraw/zinc/24/81/78/531248178.db2.gz KVVCWRCDTGXVRA-LLVKDONJSA-N 1 0 375.422 1.847 20 5 GDBDRO CSC[C@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265492241 531258862 /nfs/dbraw/zinc/25/88/62/531258862.db2.gz KPLBRBJVTPVAQW-LBPRGKRZSA-N 1 0 390.531 1.988 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000440824311 531346381 /nfs/dbraw/zinc/34/63/81/531346381.db2.gz HJKQHRQKLFOJBW-SECBINFHSA-N 1 0 378.248 1.778 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267183375 531407945 /nfs/dbraw/zinc/40/79/45/531407945.db2.gz YAWSXAGSLPGMIY-AWEZNQCLSA-N 1 0 375.472 1.319 20 5 GDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000267260138 531414860 /nfs/dbraw/zinc/41/48/60/531414860.db2.gz PXWJWDJPHZFEMX-GFCCVEGCSA-N 1 0 384.278 1.969 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415439204 531486019 /nfs/dbraw/zinc/48/60/19/531486019.db2.gz MQGDAKPZNOXGHG-NXEZZACHSA-N 1 0 399.245 1.882 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415464085 531488640 /nfs/dbraw/zinc/48/86/40/531488640.db2.gz QUGWKBQFJVPIKR-KWQFWETISA-N 1 0 399.245 1.800 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415489173 531489566 /nfs/dbraw/zinc/48/95/66/531489566.db2.gz IQCUGCGDOKUIDC-LLVKDONJSA-N 1 0 385.218 1.506 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000556513079 531496789 /nfs/dbraw/zinc/49/67/89/531496789.db2.gz OUTUFMHBZPJPJX-VIFPVBQESA-N 1 0 387.234 1.752 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415623491 531504347 /nfs/dbraw/zinc/50/43/47/531504347.db2.gz ZVENHDKMKMSCTI-PELKAZGASA-N 1 0 385.218 1.410 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415855470 531543287 /nfs/dbraw/zinc/54/32/87/531543287.db2.gz BQOKEUIITLBRKT-UHFFFAOYSA-N 1 0 399.245 1.863 20 5 GDBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415873721 531548286 /nfs/dbraw/zinc/54/82/86/531548286.db2.gz VITNXIRLDALFFI-UHFFFAOYSA-N 1 0 385.218 1.554 20 5 GDBDRO Cc1c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415793724 531533479 /nfs/dbraw/zinc/53/34/79/531533479.db2.gz UVURHJPTGJQWMZ-UHFFFAOYSA-N 1 0 385.218 1.552 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366309652 531736314 /nfs/dbraw/zinc/73/63/14/531736314.db2.gz OJJAYGHCQLHZPO-KOLCDFICSA-N 1 0 390.259 1.730 20 5 GDBDRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000298246582 531867592 /nfs/dbraw/zinc/86/75/92/531867592.db2.gz CYNINNMLERYQFX-RRFJBIMHSA-N 1 0 389.499 1.372 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367830813 531869976 /nfs/dbraw/zinc/86/99/76/531869976.db2.gz FFGZMPWZFOWZEJ-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO CC[NH+]1CCN([C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000271279498 531994702 /nfs/dbraw/zinc/99/47/02/531994702.db2.gz NTTZWKMPJFONCH-GFCCVEGCSA-N 1 0 388.515 1.276 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000577905040 532041246 /nfs/dbraw/zinc/04/12/46/532041246.db2.gz KPSJMSOKWHNLFR-GFCCVEGCSA-N 1 0 378.166 1.704 20 5 GDBDRO C[NH+]1CCN(CCC(C)(C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000302296939 532047344 /nfs/dbraw/zinc/04/73/44/532047344.db2.gz XUUHIQFPJFJRRB-UHFFFAOYSA-N 1 0 390.531 1.888 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000578442035 532050650 /nfs/dbraw/zinc/05/06/50/532050650.db2.gz QMWOJCZUGFDCBI-MRVPVSSYSA-N 1 0 389.193 1.942 20 5 GDBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@]2(OCCO)CCOC2)cc1Br ZINC000602709961 532081605 /nfs/dbraw/zinc/08/16/05/532081605.db2.gz LPEHZDJZZJKULE-LBPRGKRZSA-N 1 0 381.248 1.676 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425419199 532139239 /nfs/dbraw/zinc/13/92/39/532139239.db2.gz JQOIXDZHBAXFRY-UHFFFAOYSA-N 1 0 399.289 1.953 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275452215 532295665 /nfs/dbraw/zinc/29/56/65/532295665.db2.gz IPXNVFYDCOMCQH-CVEARBPZSA-N 1 0 385.511 1.936 20 5 GDBDRO CN(CCCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000289086437 532315294 /nfs/dbraw/zinc/31/52/94/532315294.db2.gz OKXYNTOVMMQGSF-UHFFFAOYSA-N 1 0 378.520 1.380 20 5 GDBDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000289823744 532332603 /nfs/dbraw/zinc/33/26/03/532332603.db2.gz AXWVVWCPRGWOTP-UHFFFAOYSA-N 1 0 387.234 1.752 20 5 GDBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000738368597 598251771 /nfs/dbraw/zinc/25/17/71/598251771.db2.gz FNSBGRYVTNFWJI-UHFFFAOYSA-N 1 0 395.423 1.976 20 5 GDBDRO C[NH+](C)C1(CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCOCC1 ZINC000821581698 599557419 /nfs/dbraw/zinc/55/74/19/599557419.db2.gz SNKSDOQPEDNORS-UHFFFAOYSA-N 1 0 398.427 1.846 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CCC(OCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823647974 599689548 /nfs/dbraw/zinc/68/95/48/599689548.db2.gz QXVAYXBBMHNVNO-UHFFFAOYSA-N 1 0 388.432 1.251 20 5 GDBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000822229396 606484904 /nfs/dbraw/zinc/48/49/04/606484904.db2.gz TYECYQPQXKZBRV-VXGBXAGGSA-N 1 0 383.416 1.672 20 5 GDBDRO O=[N+]([O-])c1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1-c1nn[nH]n1 ZINC000823635354 606645071 /nfs/dbraw/zinc/64/50/71/606645071.db2.gz WLKAEJYMQDQWHK-MRXNPFEDSA-N 1 0 395.423 1.606 20 5 GDBDRO O=[N+]([O-])c1cc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1-c1nn[nH]n1 ZINC000823635353 606645185 /nfs/dbraw/zinc/64/51/85/606645185.db2.gz WLKAEJYMQDQWHK-INIZCTEOSA-N 1 0 395.423 1.606 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823620392 606712394 /nfs/dbraw/zinc/71/23/94/606712394.db2.gz KOKKTIKXYYTLEL-SFHVURJKSA-N 1 0 396.411 1.219 20 5 GDBDRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000826168751 608372018 /nfs/dbraw/zinc/37/20/18/608372018.db2.gz XJCCZCCQNUDSCM-CQSZACIVSA-N 1 0 396.411 1.865 20 5 GDBDRO CCc1nc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cs1 ZINC000564757559 650766745 /nfs/dbraw/zinc/76/67/45/650766745.db2.gz QGRBEBZLFNPLEP-UHFFFAOYSA-N 1 0 384.483 1.983 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000124853148 644709948 /nfs/dbraw/zinc/70/99/48/644709948.db2.gz ZILAIAUOKPNPLC-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000178951889 644929606 /nfs/dbraw/zinc/92/96/06/644929606.db2.gz QSPNZCJIUOSYQD-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193386710 645050208 /nfs/dbraw/zinc/05/02/08/645050208.db2.gz QIOALGRKTPTHIH-UHFFFAOYSA-N 1 0 376.232 1.555 20 5 GDBDRO C[NH2+]C1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000237099441 645082444 /nfs/dbraw/zinc/08/24/44/645082444.db2.gz IOVYVRWFCPYQKI-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])[C@H]1C ZINC000262767965 645137738 /nfs/dbraw/zinc/13/77/38/645137738.db2.gz LGUWAYXBZFWIDO-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000440452314 646244195 /nfs/dbraw/zinc/24/41/95/646244195.db2.gz YKRMFXVKSMUKER-UHFFFAOYSA-N 1 0 392.275 1.977 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC000921513122 660306879 /nfs/dbraw/zinc/30/68/79/660306879.db2.gz NUFHSUCFGBDQRY-UHFFFAOYSA-N 1 0 379.385 1.219 20 5 GDBDRO Cc1sc(S(=O)(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000572637517 651100981 /nfs/dbraw/zinc/10/09/81/651100981.db2.gz KRUUKWYSIBNFGL-UHFFFAOYSA-N 1 0 378.520 1.469 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000576902258 651694518 /nfs/dbraw/zinc/69/45/18/651694518.db2.gz FZXLWQNCAJHPOA-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000589926723 652121179 /nfs/dbraw/zinc/12/11/79/652121179.db2.gz ZCXSSWSOCUUDJG-RNCFNFMXSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000589926519 652121345 /nfs/dbraw/zinc/12/13/45/652121345.db2.gz VJLVREFBCZRRQR-SKDRFNHKSA-N 1 0 390.259 1.682 20 5 GDBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000591290202 652158715 /nfs/dbraw/zinc/15/87/15/652158715.db2.gz URWZYTNWGDGUJO-UHFFFAOYSA-N 1 0 387.234 1.720 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)c1 ZINC000591726539 652164073 /nfs/dbraw/zinc/16/40/73/652164073.db2.gz IWKOCBLWIMPZSC-NSHDSACASA-N 1 0 375.216 1.556 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC000592374316 652184001 /nfs/dbraw/zinc/18/40/01/652184001.db2.gz LIDLHIGQNPBMLI-KCJUWKMLSA-N 1 0 394.247 1.094 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000597625551 652455214 /nfs/dbraw/zinc/45/52/14/652455214.db2.gz PHALVOOWPKBCAC-AWEZNQCLSA-N 1 0 383.246 1.477 20 5 GDBDRO CC(C)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000768864474 654437881 /nfs/dbraw/zinc/43/78/81/654437881.db2.gz DCMDCJKZJGPKQC-LBPRGKRZSA-N 1 0 392.503 1.027 20 5 GDBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742310896 654702161 /nfs/dbraw/zinc/70/21/61/654702161.db2.gz CLZAVSVBGHLLHY-VIFPVBQESA-N 1 0 380.264 1.976 20 5 GDBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc([N+](=O)[O-])c1Br ZINC000830553377 654949583 /nfs/dbraw/zinc/94/95/83/654949583.db2.gz GPNTYGMKBBJDHM-CQSZACIVSA-N 1 0 383.202 1.531 20 5 GDBDRO CCO[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000831737411 654995201 /nfs/dbraw/zinc/99/52/01/654995201.db2.gz GVBHEICZNYJIJJ-CYBMUJFWSA-N 1 0 388.262 1.983 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000810365572 655156699 /nfs/dbraw/zinc/15/66/99/655156699.db2.gz ATBSEXZYAAWGTH-JTQLQIEISA-N 1 0 399.245 1.754 20 5 GDBDRO COc1c[nH+]ccc1N1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000795340636 655172590 /nfs/dbraw/zinc/17/25/90/655172590.db2.gz VISHZZKJIARRRC-UHFFFAOYSA-N 1 0 384.439 1.571 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000841173568 655312148 /nfs/dbraw/zinc/31/21/48/655312148.db2.gz PGZHUZSBWNRXOS-VIFPVBQESA-N 1 0 385.218 1.425 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000841251538 655317542 /nfs/dbraw/zinc/31/75/42/655317542.db2.gz OMNNXUWAEJFSKY-SECBINFHSA-N 1 0 387.234 1.848 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C[C@@]1(C)C[NH3+] ZINC000842483369 655367577 /nfs/dbraw/zinc/36/75/77/655367577.db2.gz KKAIZGLZLIVYNE-NOZJJQNGSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485304 655368046 /nfs/dbraw/zinc/36/80/46/655368046.db2.gz KUWLROROPWBQJF-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000842720578 655373398 /nfs/dbraw/zinc/37/33/98/655373398.db2.gz XSTRMQRHTQEJMW-KWQFWETISA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1Br ZINC000842765132 655375622 /nfs/dbraw/zinc/37/56/22/655375622.db2.gz JQLSDCPVYGCHNX-ZDUSSCGKSA-N 1 0 390.259 1.731 20 5 GDBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000842776371 655376337 /nfs/dbraw/zinc/37/63/37/655376337.db2.gz KGMIBYMSSGZPFZ-LLVKDONJSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000842787139 655376847 /nfs/dbraw/zinc/37/68/47/655376847.db2.gz JFNDXMAOFZAKBN-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000842797863 655377922 /nfs/dbraw/zinc/37/79/22/655377922.db2.gz OLCGKQQRBGXAMT-UHFFFAOYSA-N 1 0 390.259 1.906 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC000842816563 655379017 /nfs/dbraw/zinc/37/90/17/655379017.db2.gz YUPZHHNDCZWXHH-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO CCO[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C[C@H]1C[NH3+] ZINC000846232602 655450239 /nfs/dbraw/zinc/45/02/39/655450239.db2.gz UHMMWJPSHYBIRT-ZYHUDNBSSA-N 1 0 377.850 1.541 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000848476080 655493640 /nfs/dbraw/zinc/49/36/40/655493640.db2.gz XVPRTZLYRCGBJI-JGZJWPJOSA-N 1 0 392.275 1.976 20 5 GDBDRO C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000828251437 655520088 /nfs/dbraw/zinc/52/00/88/655520088.db2.gz CFKNCERSXGCIRT-UHFFFAOYSA-N 1 0 389.861 1.734 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000850590857 655559492 /nfs/dbraw/zinc/55/94/92/655559492.db2.gz WJRFKHKUFGQFHY-UHFFFAOYSA-N 1 0 378.248 1.907 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000850830074 655569331 /nfs/dbraw/zinc/56/93/31/655569331.db2.gz BCWATSNLLVLHLA-UHFFFAOYSA-N 1 0 387.234 1.800 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858626656 655751146 /nfs/dbraw/zinc/75/11/46/655751146.db2.gz JXBXMSGWCSBEON-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c(Br)c1 ZINC000866826886 655967521 /nfs/dbraw/zinc/96/75/21/655967521.db2.gz DZBOVJWTIUOCKQ-RYUDHWBXSA-N 1 0 390.259 1.872 20 5 GDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000869780335 656207341 /nfs/dbraw/zinc/20/73/41/656207341.db2.gz TXOPGAAYYANOHU-NSHDSACASA-N 1 0 386.246 1.932 20 5 GDBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896556799 658789257 /nfs/dbraw/zinc/78/92/57/658789257.db2.gz PTCCZBKXIMMEAW-NHYWBVRUSA-N 1 0 399.289 1.650 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164613975 719012241 /nfs/dbraw/zinc/01/22/41/719012241.db2.gz AYCFZVPOPOPCTM-JFUSQASVSA-N 1 0 390.774 1.918 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001164685323 719706355 /nfs/dbraw/zinc/70/63/55/719706355.db2.gz VDRZUZMXEKZFMQ-UHFFFAOYSA-N 1 0 378.389 1.079 20 5 GDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc([N+](=O)[O-])c(N)n1)CCC2 ZINC001164812632 720227101 /nfs/dbraw/zinc/22/71/01/720227101.db2.gz HTACORANTUGCGH-UHFFFAOYSA-N 1 0 387.444 1.379 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001164826329 720324582 /nfs/dbraw/zinc/32/45/82/720324582.db2.gz GGYFABUFKILKEI-HOTGVXAUSA-N 1 0 388.472 1.484 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164829739 720335705 /nfs/dbraw/zinc/33/57/05/720335705.db2.gz NCYYOZVQNCERPN-IAGOWNOFSA-N 1 0 388.472 1.484 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)CC[C@H]2C1 ZINC001164853774 720880827 /nfs/dbraw/zinc/88/08/27/720880827.db2.gz CSZODODJVJSFJA-RDJZCZTQSA-N 1 0 394.472 1.951 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164769107 721099735 /nfs/dbraw/zinc/09/97/35/721099735.db2.gz ODGZEPOPVWHMNF-ZIAGYGMSSA-N 1 0 387.400 1.590 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4F)C3)O2)CC1 ZINC001164886294 721402412 /nfs/dbraw/zinc/40/24/12/721402412.db2.gz ISIVODBOCJJCBW-QFBILLFUSA-N 1 0 393.463 1.894 20 5 GDBDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164891319 721444794 /nfs/dbraw/zinc/44/47/94/721444794.db2.gz GDAHRJGAYYUZNP-QFBILLFUSA-N 1 0 390.488 1.459 20 5 GDBDRO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164891323 721445181 /nfs/dbraw/zinc/44/51/81/721445181.db2.gz GDAHRJGAYYUZNP-VQIMIIECSA-N 1 0 390.488 1.459 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CCN2CC[NH+](C)C ZINC001164927816 721870739 /nfs/dbraw/zinc/87/07/39/721870739.db2.gz WHNJWBVRADIYSV-HZPDHXFCSA-N 1 0 377.445 1.381 20 5 GDBDRO Nc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164979032 722125760 /nfs/dbraw/zinc/12/57/60/722125760.db2.gz OTCITKPLHCXBSW-QAPCUYQASA-N 1 0 384.440 1.694 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000823652299 946463095 /nfs/dbraw/zinc/46/30/95/946463095.db2.gz ZEDZEMQMJCOEGY-UHFFFAOYSA-N 1 0 384.400 1.515 20 5 GDBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001308390170 1126165681 /nfs/dbraw/zinc/16/56/81/1126165681.db2.gz OUBZDCLJOOJLBK-MRXNPFEDSA-N 1 0 392.383 1.979 20 5 GDBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603565324 1126227634 /nfs/dbraw/zinc/22/76/34/1126227634.db2.gz RXJQFESGQGTTKS-SFHVURJKSA-N 1 0 386.387 1.997 20 5 GDBDRO C[NH+](C)C1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000176919113 530694084 /nfs/dbraw/zinc/69/40/84/530694084.db2.gz JONPDXCIOKMXFP-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO C[NH+]1CCN(CCNc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000107809759 530855438 /nfs/dbraw/zinc/85/54/38/530855438.db2.gz LOXIHXNVORBJAX-UHFFFAOYSA-N 1 0 390.225 1.859 20 5 GDBDRO Cc1c(Br)cc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000186813735 530863407 /nfs/dbraw/zinc/86/34/07/530863407.db2.gz XTHICXYGONKHBY-SNVBAGLBSA-N 1 0 386.246 1.804 20 5 GDBDRO C[NH+](C)CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000119786905 530931290 /nfs/dbraw/zinc/93/12/90/530931290.db2.gz MVKUTJXGVOZMHJ-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000122902435 530976996 /nfs/dbraw/zinc/97/69/96/530976996.db2.gz FPVZFUFTUZUING-SECBINFHSA-N 1 0 378.248 1.696 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(I)cc1[N+](=O)[O-] ZINC000225743962 531031734 /nfs/dbraw/zinc/03/17/34/531031734.db2.gz OVEUTOWGQRBPDI-NSHDSACASA-N 1 0 390.225 1.857 20 5 GDBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000262472565 531121378 /nfs/dbraw/zinc/12/13/78/531121378.db2.gz PESOGEMJPLOCPM-MRVPVSSYSA-N 1 0 380.264 1.942 20 5 GDBDRO COc1c(S(=O)(=O)NC(C)(C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262750893 531128980 /nfs/dbraw/zinc/12/89/80/531128980.db2.gz GIVMDWXLCNCBLB-UHFFFAOYSA-N 1 0 396.263 1.690 20 5 GDBDRO C[NH2+]CCCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000262780756 531130609 /nfs/dbraw/zinc/13/06/09/531130609.db2.gz OZUDXNCWFXLJHO-UHFFFAOYSA-N 1 0 396.263 1.562 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[NH2+]1 ZINC000474185804 531270824 /nfs/dbraw/zinc/27/08/24/531270824.db2.gz SDNYNULCOZAEBD-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@H]1C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277869263 531316189 /nfs/dbraw/zinc/31/61/89/531316189.db2.gz NKYHWVPAORBZFA-LBPRGKRZSA-N 1 0 375.422 1.513 20 5 GDBDRO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CS1 ZINC000413511329 531408719 /nfs/dbraw/zinc/40/87/19/531408719.db2.gz GRSSLBPMYFTQOQ-NWDGAFQWSA-N 1 0 388.515 1.741 20 5 GDBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCSC1 ZINC000267264714 531416289 /nfs/dbraw/zinc/41/62/89/531416289.db2.gz DEWWIDYTOYGMTA-HNNXBMFYSA-N 1 0 386.861 1.740 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000447247997 531423005 /nfs/dbraw/zinc/42/30/05/531423005.db2.gz JXAIZWUFRQERSR-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NCCCN1CC[NH2+]CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700008 531515443 /nfs/dbraw/zinc/51/54/43/531515443.db2.gz LCEDEANTLSKXRU-UHFFFAOYSA-N 1 0 386.250 1.774 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000610604538 531509868 /nfs/dbraw/zinc/50/98/68/531509868.db2.gz BMIVOEUHCDDRBN-BBBLOLIVSA-N 1 0 376.257 1.825 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000415814241 531536391 /nfs/dbraw/zinc/53/63/91/531536391.db2.gz HZHHREZRPPXFPK-RNCFNFMXSA-N 1 0 397.229 1.425 20 5 GDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595118693 531866020 /nfs/dbraw/zinc/86/60/20/531866020.db2.gz SMHDAIMHIPRQCH-UHFFFAOYSA-N 1 0 376.232 1.469 20 5 GDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598723864 531992571 /nfs/dbraw/zinc/99/25/71/531992571.db2.gz IBADKSWRGLTNQX-RNCFNFMXSA-N 1 0 390.259 1.859 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)c(Br)c1 ZINC000420448893 532013906 /nfs/dbraw/zinc/01/39/06/532013906.db2.gz MKYJNLSOXBLJBP-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285723517 532107642 /nfs/dbraw/zinc/10/76/42/532107642.db2.gz KADOWBFFMWQJJK-KBPBESRZSA-N 1 0 384.230 1.902 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000823630003 607345326 /nfs/dbraw/zinc/34/53/26/607345326.db2.gz PEWYIARQCBPTGQ-HNNXBMFYSA-N 1 0 387.444 1.856 20 5 GDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736147292 598335959 /nfs/dbraw/zinc/33/59/59/598335959.db2.gz MGABFNUNSFFFFD-GFCCVEGCSA-N 1 0 375.433 1.304 20 5 GDBDRO C[C@@H](O)C[N@@H+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000820480357 599530984 /nfs/dbraw/zinc/53/09/84/599530984.db2.gz KFQDFYCVVDCJFM-VXGBXAGGSA-N 1 0 398.427 1.214 20 5 GDBDRO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826158739 607553714 /nfs/dbraw/zinc/55/37/14/607553714.db2.gz ANRJZIYQUPZPNJ-SFHVURJKSA-N 1 0 398.423 1.957 20 5 GDBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821614847 606631733 /nfs/dbraw/zinc/63/17/33/606631733.db2.gz WZDOXCAWKVSXSR-HNNXBMFYSA-N 1 0 384.396 1.647 20 5 GDBDRO COc1cccc([C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000821863750 607162598 /nfs/dbraw/zinc/16/25/98/607162598.db2.gz OLPWAZUPKFFDDR-CQSZACIVSA-N 1 0 384.400 1.893 20 5 GDBDRO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000565973854 650824278 /nfs/dbraw/zinc/82/42/78/650824278.db2.gz SOIYZCXERWUPHC-SNVBAGLBSA-N 1 0 388.877 1.523 20 5 GDBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000193332753 645049416 /nfs/dbraw/zinc/04/94/16/645049416.db2.gz NITYZFACAHNLOG-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000261717584 645115722 /nfs/dbraw/zinc/11/57/22/645115722.db2.gz WGOFUZCWBMRJDY-SSDOTTSWSA-N 1 0 396.263 1.561 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370337247 645684783 /nfs/dbraw/zinc/68/47/83/645684783.db2.gz IRBFXOTZWFMYIK-UONOGXRCSA-N 1 0 398.257 1.879 20 5 GDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000423660286 646140609 /nfs/dbraw/zinc/14/06/09/646140609.db2.gz GDCPFSGQOSEGMT-CPCISQLKSA-N 1 0 375.166 1.761 20 5 GDBDRO C[NH2+]CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000424033660 646155244 /nfs/dbraw/zinc/15/52/44/646155244.db2.gz PDCZHSIIFIQQRX-UHFFFAOYSA-N 1 0 377.182 1.881 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000440439164 646243266 /nfs/dbraw/zinc/24/32/66/646243266.db2.gz YWONVJHUZJSCQM-SCZZXKLOSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000522301548 648675645 /nfs/dbraw/zinc/67/56/45/648675645.db2.gz RZAFGXUWUWHRKL-UHFFFAOYSA-N 1 0 393.487 1.550 20 5 GDBDRO C[C@]([NH3+])(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000574155898 651519971 /nfs/dbraw/zinc/51/99/71/651519971.db2.gz IFPFJHYOQUVRCI-CQSZACIVSA-N 1 0 382.218 1.544 20 5 GDBDRO CC[C@](C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000580802701 651940206 /nfs/dbraw/zinc/94/02/06/651940206.db2.gz NTTLXVBXJISRDH-LBPRGKRZSA-N 1 0 377.182 1.943 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592381380 652185383 /nfs/dbraw/zinc/18/53/83/652185383.db2.gz GNGOGBVFQVFMMH-GXSJLCMTSA-N 1 0 379.360 1.986 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000592381252 652185421 /nfs/dbraw/zinc/18/54/21/652185421.db2.gz CNBUTOMPGXBPTO-NOZJJQNGSA-N 1 0 390.259 1.730 20 5 GDBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592548795 652193443 /nfs/dbraw/zinc/19/34/43/652193443.db2.gz FBHGFKYFLFYBJA-GFCCVEGCSA-N 1 0 386.202 1.334 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC[C@]2(O)CCOC2)c1 ZINC000593670907 652236799 /nfs/dbraw/zinc/23/67/99/652236799.db2.gz MALKVSCJFPGNOX-ZDUSSCGKSA-N 1 0 392.193 1.831 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000594475073 652303165 /nfs/dbraw/zinc/30/31/65/652303165.db2.gz TUGSCQJZFNXLFJ-JGZJWPJOSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594804422 652368112 /nfs/dbraw/zinc/36/81/12/652368112.db2.gz ZDCNWWRNDLCWES-LBPRGKRZSA-N 1 0 392.909 1.799 20 5 GDBDRO C[C@@H](CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000595126408 652394312 /nfs/dbraw/zinc/39/43/12/652394312.db2.gz WIFUEQNLUYESMO-VIFPVBQESA-N 1 0 387.234 1.752 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000596128421 652437174 /nfs/dbraw/zinc/43/71/74/652437174.db2.gz HKWLZKJOLCIBPI-AWEZNQCLSA-N 1 0 385.218 1.472 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000601347222 652568585 /nfs/dbraw/zinc/56/85/85/652568585.db2.gz HTYCGGMOSAUJGM-AOOOYVTPSA-N 1 0 390.259 1.791 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000602597579 652642709 /nfs/dbraw/zinc/64/27/09/652642709.db2.gz VMOHSOYJAJIKNC-GMSGAONNSA-N 1 0 375.166 1.761 20 5 GDBDRO C[N@@H+]1CCC[C@H](N2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)CC2)C1 ZINC000738210763 654651479 /nfs/dbraw/zinc/65/14/79/654651479.db2.gz FIWNSICIRTUKMR-LBPRGKRZSA-N 1 0 387.282 1.223 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000702652430 654832516 /nfs/dbraw/zinc/83/25/16/654832516.db2.gz ZTURFZWNVUQTAX-HTQZYQBOSA-N 1 0 375.166 1.761 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000832400988 655029836 /nfs/dbraw/zinc/02/98/36/655029836.db2.gz PSSRIWQWQYWHEL-ZETCQYMHSA-N 1 0 384.227 1.725 20 5 GDBDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000834727974 655077004 /nfs/dbraw/zinc/07/70/04/655077004.db2.gz ZQHFMVHKRIPRJR-LBPRGKRZSA-N 1 0 380.754 1.814 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000765191962 655233862 /nfs/dbraw/zinc/23/38/62/655233862.db2.gz DORMNKQKSWOMDB-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3cc(Br)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000813740579 655244686 /nfs/dbraw/zinc/24/46/86/655244686.db2.gz CESRAIPTAUFYEB-JOYOIKCWSA-N 1 0 390.259 1.682 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000841165737 655311779 /nfs/dbraw/zinc/31/17/79/655311779.db2.gz YOILOTVIHHXRQI-SECBINFHSA-N 1 0 385.218 1.472 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000841170103 655312001 /nfs/dbraw/zinc/31/20/01/655312001.db2.gz CBDWNIXRRXRGBP-SNVBAGLBSA-N 1 0 399.245 1.672 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841184242 655312817 /nfs/dbraw/zinc/31/28/17/655312817.db2.gz XYYIOTJVOYTLBR-NXEZZACHSA-N 1 0 399.245 1.882 20 5 GDBDRO [NH3+][C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841233888 655316128 /nfs/dbraw/zinc/31/61/28/655316128.db2.gz KKXNQHHRTXHRIV-SSDOTTSWSA-N 1 0 376.154 1.764 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841248885 655317310 /nfs/dbraw/zinc/31/73/10/655317310.db2.gz HXWHRXYNZGALDR-SKDRFNHKSA-N 1 0 397.229 1.506 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000842485928 655368250 /nfs/dbraw/zinc/36/82/50/655368250.db2.gz VMJAOBFKDYZQQV-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC000842795086 655377670 /nfs/dbraw/zinc/37/76/70/655377670.db2.gz HPYNUASVXFGOOR-UHFFFAOYSA-N 1 0 390.259 1.906 20 5 GDBDRO COCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC[NH2+]CC1 ZINC000842855172 655381068 /nfs/dbraw/zinc/38/10/68/655381068.db2.gz WKMYAEJQRICSSA-UHFFFAOYSA-N 1 0 391.877 1.851 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842869901 655381674 /nfs/dbraw/zinc/38/16/74/655381674.db2.gz UFEQQIOFIJIBHR-LLVKDONJSA-N 1 0 378.248 1.715 20 5 GDBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842892684 655383178 /nfs/dbraw/zinc/38/31/78/655383178.db2.gz NPBXLVIMJDBHAI-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO CCO[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C[NH3+] ZINC000846232000 655450246 /nfs/dbraw/zinc/45/02/46/655450246.db2.gz MVHCTNLULPZJAS-ZWNOBZJWSA-N 1 0 377.850 1.541 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@H]21 ZINC000863450297 655873516 /nfs/dbraw/zinc/87/35/16/655873516.db2.gz JCTJLHNPPFJSKU-IWIIMEHWSA-N 1 0 390.259 1.538 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1Br ZINC000866827931 655967703 /nfs/dbraw/zinc/96/77/03/655967703.db2.gz TZOYJVKVDBBIPX-NEPJUHHUSA-N 1 0 390.259 1.872 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886253800 657630289 /nfs/dbraw/zinc/63/02/89/657630289.db2.gz JQZDNJKSYLDWFP-YHPBZONMSA-N 1 0 378.166 1.173 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC000892467000 658328248 /nfs/dbraw/zinc/32/82/48/658328248.db2.gz CVGRZRYQDFRFHU-GFCCVEGCSA-N 1 0 394.273 1.985 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903593643 659357624 /nfs/dbraw/zinc/35/76/24/659357624.db2.gz RPHXZJFWWLHFOY-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164807948 720139315 /nfs/dbraw/zinc/13/93/15/720139315.db2.gz DACDDIAMKLERKG-QFBILLFUSA-N 1 0 376.457 1.721 20 5 GDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])cc[n+]1[O-])CCC2 ZINC001164814153 720211799 /nfs/dbraw/zinc/21/17/99/720211799.db2.gz TVVUKQWITFDOAV-UHFFFAOYSA-N 1 0 388.428 1.035 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164740882 720613660 /nfs/dbraw/zinc/61/36/60/720613660.db2.gz JNEHKBGNSQCTOH-STQMWFEESA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738280 720615050 /nfs/dbraw/zinc/61/50/50/720615050.db2.gz BNTMVAHSPJILDW-OLZOCXBDSA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164743020 720615213 /nfs/dbraw/zinc/61/52/13/720615213.db2.gz NZCOOOVXDWAFOM-RYUDHWBXSA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745745 720641556 /nfs/dbraw/zinc/64/15/56/720641556.db2.gz WHHUZJVUFLUHFX-NWDGAFQWSA-N 1 0 376.804 1.775 20 5 GDBDRO CCOc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164738200 720737673 /nfs/dbraw/zinc/73/76/73/720737673.db2.gz FCJXROBGPVCVRH-KBPBESRZSA-N 1 0 386.412 1.520 20 5 GDBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164871037 721046654 /nfs/dbraw/zinc/04/66/54/721046654.db2.gz XZSKRQCIWUCTTP-UONOGXRCSA-N 1 0 390.831 1.913 20 5 GDBDRO Cc1nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164891314 721444752 /nfs/dbraw/zinc/44/47/52/721444752.db2.gz GDAHRJGAYYUZNP-APWZRJJASA-N 1 0 390.488 1.459 20 5 GDBDRO COc1cc2ncnc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001164928595 721864614 /nfs/dbraw/zinc/86/46/14/721864614.db2.gz YWFSYYOHYYVWNS-HZPDHXFCSA-N 1 0 386.456 1.761 20 5 GDBDRO COc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001164928593 721864808 /nfs/dbraw/zinc/86/48/08/721864808.db2.gz YWFSYYOHYYVWNS-CVEARBPZSA-N 1 0 386.456 1.761 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001164927808 721870682 /nfs/dbraw/zinc/87/06/82/721870682.db2.gz WHNJWBVRADIYSV-CVEARBPZSA-N 1 0 377.445 1.381 20 5 GDBDRO CCOC(=O)c1ccnc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164932587 721886632 /nfs/dbraw/zinc/88/66/32/721886632.db2.gz JHVDCWFTZATPBC-GJZGRUSLSA-N 1 0 377.445 1.381 20 5 GDBDRO COc1ccccc1C[C@](C)(CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591652726 1126216733 /nfs/dbraw/zinc/21/67/33/1126216733.db2.gz IFMPHTKYFLPPEI-LJQANCHMSA-N 1 0 398.423 1.867 20 5 GDBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000168691669 530584780 /nfs/dbraw/zinc/58/47/80/530584780.db2.gz DYISSBSYAQFMFZ-QMMMGPOBSA-N 1 0 377.182 1.879 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000109837313 530864607 /nfs/dbraw/zinc/86/46/07/530864607.db2.gz ADIGKPPDJQTVEJ-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000237803813 531050624 /nfs/dbraw/zinc/05/06/24/531050624.db2.gz BTWWBUMAXOFKSF-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000248645025 531080873 /nfs/dbraw/zinc/08/08/73/531080873.db2.gz SEHKNBRRUKSIDH-DVVUODLYSA-N 1 0 390.259 1.715 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000151625681 531140340 /nfs/dbraw/zinc/14/03/40/531140340.db2.gz HACYPNLWMANTLR-UHFFFAOYSA-N 1 0 399.289 1.606 20 5 GDBDRO C[C@@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000290190099 531214949 /nfs/dbraw/zinc/21/49/49/531214949.db2.gz CBGWUOCNHWLAJS-SNVBAGLBSA-N 1 0 386.455 1.173 20 5 GDBDRO C[NH2+]C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000440412317 531337876 /nfs/dbraw/zinc/33/78/76/531337876.db2.gz KRRUTAJGZRDQHB-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415666461 531510907 /nfs/dbraw/zinc/51/09/07/531510907.db2.gz ZRGOAYSUSSXEAY-KCJUWKMLSA-N 1 0 399.245 1.718 20 5 GDBDRO O=C([C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000581778034 531516451 /nfs/dbraw/zinc/51/64/51/531516451.db2.gz IOSXREQYEJJGMU-NSHDSACASA-N 1 0 398.261 1.401 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415639916 531506925 /nfs/dbraw/zinc/50/69/25/531506925.db2.gz DEQGUFYGZWFDLX-QWRGUYRKSA-N 1 0 399.245 1.990 20 5 GDBDRO CC[NH+]1CCN(CC(C)(C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000450923763 531521355 /nfs/dbraw/zinc/52/13/55/531521355.db2.gz ROZDCVRFTFUUMZ-UHFFFAOYSA-N 1 0 390.531 1.888 20 5 GDBDRO C[N@@H+]1CCCN(CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000611921234 531543711 /nfs/dbraw/zinc/54/37/11/531543711.db2.gz CFTWGHICKXWJSE-UHFFFAOYSA-N 1 0 376.504 1.499 20 5 GDBDRO C[C@@H](O)C[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558469732 531562222 /nfs/dbraw/zinc/56/22/22/531562222.db2.gz FVQZMZCZMBRGJU-SECBINFHSA-N 1 0 380.182 1.375 20 5 GDBDRO COCCN(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558491910 531563947 /nfs/dbraw/zinc/56/39/47/531563947.db2.gz LAKRVZTZILOTIW-UHFFFAOYSA-N 1 0 393.225 1.867 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccc(Br)cc2)c1 ZINC000583494908 531579108 /nfs/dbraw/zinc/57/91/08/531579108.db2.gz JXXBIPIAIVZQTF-ZDUSSCGKSA-N 1 0 385.218 1.583 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000269474615 531676113 /nfs/dbraw/zinc/67/61/13/531676113.db2.gz MPYWEGRFQFVLKI-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000451905997 531711015 /nfs/dbraw/zinc/71/10/15/531711015.db2.gz ICRGILKLFVDCIK-CABCVRRESA-N 1 0 389.239 1.956 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000366307481 531736084 /nfs/dbraw/zinc/73/60/84/531736084.db2.gz MJKUWLSBHKNKAR-GDGBQDQQSA-N 1 0 376.232 1.162 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000592332317 531780759 /nfs/dbraw/zinc/78/07/59/531780759.db2.gz WKRYLWDQIBYLSV-PELKAZGASA-N 1 0 389.193 1.927 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000420424013 532012747 /nfs/dbraw/zinc/01/27/47/532012747.db2.gz HLBSCLFSKFGUGZ-KWQFWETISA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420451371 532016156 /nfs/dbraw/zinc/01/61/56/532016156.db2.gz QHAAKZWLUJEJKI-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000576157776 532018791 /nfs/dbraw/zinc/01/87/91/532018791.db2.gz PNMMQQUYMKSEDR-MRVPVSSYSA-N 1 0 377.182 1.785 20 5 GDBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599652401 532034154 /nfs/dbraw/zinc/03/41/54/532034154.db2.gz KYWVZUKVSRCRAX-JGZJWPJOSA-N 1 0 389.193 1.895 20 5 GDBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000577328344 532034316 /nfs/dbraw/zinc/03/43/16/532034316.db2.gz ZFZQBTZOCOJYID-UHFFFAOYSA-N 1 0 375.422 1.753 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])s1 ZINC000601409768 532063525 /nfs/dbraw/zinc/06/35/25/532063525.db2.gz WBMFESOCURUMMZ-UHFFFAOYSA-N 1 0 376.504 1.269 20 5 GDBDRO O=[N+]([O-])c1sc(C[NH2+]CCCN2CCCS2(=O)=O)cc1Br ZINC000602543079 532080254 /nfs/dbraw/zinc/08/02/54/532080254.db2.gz HFMQZJSQEWGGKI-UHFFFAOYSA-N 1 0 398.304 1.934 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427923980 532193892 /nfs/dbraw/zinc/19/38/92/532193892.db2.gz IHHPHJYKJDVRCP-RNCFNFMXSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(CN1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000428038478 532196781 /nfs/dbraw/zinc/19/67/81/532196781.db2.gz OBRMQCCGSIXDBS-GXFFZTMASA-N 1 0 383.246 1.980 20 5 GDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)NC(C)C ZINC000429435673 532228940 /nfs/dbraw/zinc/22/89/40/532228940.db2.gz UKWRMJHCVHERRU-CYBMUJFWSA-N 1 0 390.531 1.888 20 5 GDBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275475637 532297086 /nfs/dbraw/zinc/29/70/86/532297086.db2.gz OVHIYCGZNWGHOD-ZIAGYGMSSA-N 1 0 386.499 1.258 20 5 GDBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736747467 598247961 /nfs/dbraw/zinc/24/79/61/598247961.db2.gz SWRNJAQUCJWAQY-OAHLLOKOSA-N 1 0 388.432 1.130 20 5 GDBDRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821104449 599302952 /nfs/dbraw/zinc/30/29/52/599302952.db2.gz DGDYYPWBFVNUJA-MRXNPFEDSA-N 1 0 386.416 1.245 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)C2)nc1 ZINC000823639561 599639784 /nfs/dbraw/zinc/63/97/84/599639784.db2.gz DRDIJAKOQOPJRU-ZDUSSCGKSA-N 1 0 384.375 1.995 20 5 GDBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000823648334 606188600 /nfs/dbraw/zinc/18/86/00/606188600.db2.gz UYNDELDEIWQKKZ-UHFFFAOYSA-N 1 0 384.400 1.515 20 5 GDBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821614848 606631524 /nfs/dbraw/zinc/63/15/24/606631524.db2.gz WZDOXCAWKVSXSR-OAHLLOKOSA-N 1 0 384.396 1.647 20 5 GDBDRO CN1CCC([NH+]2CCC(Nc3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)CC1 ZINC000821621670 606704598 /nfs/dbraw/zinc/70/45/98/606704598.db2.gz BDHNOWLCKMJBQI-UHFFFAOYSA-N 1 0 387.448 1.140 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC000823639565 606927302 /nfs/dbraw/zinc/92/73/02/606927302.db2.gz DRNUVSPSHRTFNZ-ZBFHGGJFSA-N 1 0 396.411 1.390 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000564410935 650757491 /nfs/dbraw/zinc/75/74/91/650757491.db2.gz YHJKYTSGIPRADH-CYBMUJFWSA-N 1 0 393.225 1.602 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172952960 644886268 /nfs/dbraw/zinc/88/62/68/644886268.db2.gz NHYKIXOXYKNLAN-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000261833461 645118304 /nfs/dbraw/zinc/11/83/04/645118304.db2.gz YZJAAWKVLJCLPG-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO O=C(CN1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000462408214 647527389 /nfs/dbraw/zinc/52/73/89/647527389.db2.gz IGDSJTORWFMELN-OAHLLOKOSA-N 1 0 383.246 1.981 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479780852 647835982 /nfs/dbraw/zinc/83/59/82/647835982.db2.gz TVRLCQJGWDCLJK-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501130326 648130601 /nfs/dbraw/zinc/13/06/01/648130601.db2.gz VBLXAVWEKPJQJS-CYBMUJFWSA-N 1 0 386.250 1.725 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000571514916 651078620 /nfs/dbraw/zinc/07/86/20/651078620.db2.gz ZXJBSXBWEMKVMK-LBPRGKRZSA-N 1 0 389.193 1.975 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000592390279 652188391 /nfs/dbraw/zinc/18/83/91/652188391.db2.gz NSNSZBFAMLQDKX-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000599110756 652479265 /nfs/dbraw/zinc/47/92/65/652479265.db2.gz OKFGUDAKBXGPJW-GZMMTYOYSA-N 1 0 378.248 1.694 20 5 GDBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599832447 652515977 /nfs/dbraw/zinc/51/59/77/652515977.db2.gz ZSPJDLVWHAKLSK-HNNXBMFYSA-N 1 0 386.246 1.886 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000602491253 652639942 /nfs/dbraw/zinc/63/99/42/652639942.db2.gz IMGGMZLIBMNZCV-LLVKDONJSA-N 1 0 383.246 1.477 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC2([NH+]3CCCC3)CCOCC2)cs1 ZINC000768835735 654434831 /nfs/dbraw/zinc/43/48/31/654434831.db2.gz OIVWYXZHCVFOCR-UHFFFAOYSA-N 1 0 375.472 1.580 20 5 GDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000715092312 654836229 /nfs/dbraw/zinc/83/62/29/654836229.db2.gz FFIXKCIGASZKII-ZKCHVHJHSA-N 1 0 375.166 1.667 20 5 GDBDRO CCO[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831708702 654993268 /nfs/dbraw/zinc/99/32/68/654993268.db2.gz UZHYLYACAJJOIA-LBPRGKRZSA-N 1 0 388.262 1.983 20 5 GDBDRO CN(CC(=O)N1CCC2(C[NH+](C)C2)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000834522929 655071644 /nfs/dbraw/zinc/07/16/44/655071644.db2.gz XINVNZSEOISFEL-UHFFFAOYSA-N 1 0 397.273 1.958 20 5 GDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795861602 655191752 /nfs/dbraw/zinc/19/17/52/655191752.db2.gz NEDRMDZYSMVGCN-UHFFFAOYSA-N 1 0 383.829 1.634 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000813738428 655244309 /nfs/dbraw/zinc/24/43/09/655244309.db2.gz HKWLQSVZKDWWQQ-NOZJJQNGSA-N 1 0 390.259 1.682 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000813738432 655244368 /nfs/dbraw/zinc/24/43/68/655244368.db2.gz HKWLQSVZKDWWQQ-ZANVPECISA-N 1 0 390.259 1.682 20 5 GDBDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597936 655300225 /nfs/dbraw/zinc/30/02/25/655300225.db2.gz JBMVYKTVNDUEBK-ZYHUDNBSSA-N 1 0 385.467 1.724 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000841175758 655312205 /nfs/dbraw/zinc/31/22/05/655312205.db2.gz IWASZSAXWGNLBY-KOLCDFICSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000841209191 655314211 /nfs/dbraw/zinc/31/42/11/655314211.db2.gz MBFBAVNMJMHJBX-RKDXNWHRSA-N 1 0 385.218 1.505 20 5 GDBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000841234953 655316277 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1.469 20 5 GDBDRO [NH3+][C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000850860823 655570463 /nfs/dbraw/zinc/57/04/63/655570463.db2.gz RFUASACHKIMDKK-NXEZZACHSA-N 1 0 389.181 1.194 20 5 GDBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865706716 655924683 /nfs/dbraw/zinc/92/46/83/655924683.db2.gz ZZXMODUAKVTKPN-LBPRGKRZSA-N 1 0 385.262 1.262 20 5 GDBDRO CC[NH+]1CCN(CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865791759 655926764 /nfs/dbraw/zinc/92/67/64/655926764.db2.gz KOZHCZQOWUXVND-UHFFFAOYSA-N 1 0 399.289 1.654 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC000871815333 656283348 /nfs/dbraw/zinc/28/33/48/656283348.db2.gz SYCVMRZTEOXBAZ-TVQRCGJNSA-N 1 0 379.360 1.844 20 5 GDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896549087 658788740 /nfs/dbraw/zinc/78/87/40/658788740.db2.gz MPPVQXMCMHDYEK-MFKMUULPSA-N 1 0 385.262 1.721 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)ccc1Br ZINC000903592100 659356614 /nfs/dbraw/zinc/35/66/14/659356614.db2.gz BNIQKKGTAZFUNU-CYBMUJFWSA-N 1 0 390.259 1.874 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])c(OC)n1)C2 ZINC001164807959 720068351 /nfs/dbraw/zinc/06/83/51/720068351.db2.gz GQNQFJZJBUPHCL-KDOFPFPSSA-N 1 0 377.445 1.578 20 5 GDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1F)CCC2 ZINC001164812057 720218428 /nfs/dbraw/zinc/21/84/28/720218428.db2.gz CQEOCLQMSBQLJU-UHFFFAOYSA-N 1 0 390.419 1.936 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)n1 ZINC001164820653 720313690 /nfs/dbraw/zinc/31/36/90/720313690.db2.gz HZEWEFPCHGTSTK-JKSUJKDBSA-N 1 0 388.472 1.605 20 5 GDBDRO CCOC(=O)c1ccnc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164736511 720531415 /nfs/dbraw/zinc/53/14/15/720531415.db2.gz YXFKWGNCDRTJRR-CYBMUJFWSA-N 1 0 388.428 1.561 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164737549 720660646 /nfs/dbraw/zinc/66/06/46/720660646.db2.gz GAZAGYZWFNFZNP-STQMWFEESA-N 1 0 387.356 1.030 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164746002 720810852 /nfs/dbraw/zinc/81/08/52/720810852.db2.gz LIAKIKUVHDHMDX-BPQIPLTHSA-N 1 0 399.455 1.199 20 5 GDBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164741749 720811015 /nfs/dbraw/zinc/81/10/15/720811015.db2.gz BWIADELMOLYAGF-BPQIPLTHSA-N 1 0 383.456 1.961 20 5 GDBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164764030 721131796 /nfs/dbraw/zinc/13/17/96/721131796.db2.gz GPXRIXBWGLUCEJ-GJZGRUSLSA-N 1 0 387.444 1.394 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973231 722128748 /nfs/dbraw/zinc/12/87/48/722128748.db2.gz GXQPYLBWCDHJEL-PKOBYXMFSA-N 1 0 399.451 1.659 20 5 GDBDRO O=C([O-])[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001594954205 954972980 /nfs/dbraw/zinc/97/29/80/954972980.db2.gz ZBBZAPYTEWBEQN-SFHVURJKSA-N 1 0 377.441 1.635 20 5 GDBDRO CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)CC1 ZINC001591633714 992939854 /nfs/dbraw/zinc/93/98/54/992939854.db2.gz VVXBGLDUQCNHHV-LJQANCHMSA-N 1 0 378.473 1.900 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000173200461 530625500 /nfs/dbraw/zinc/62/55/00/530625500.db2.gz CQWKONLTMZATQT-JTQLQIEISA-N 1 0 392.275 1.990 20 5 GDBDRO COCC[N@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119912796 530933118 /nfs/dbraw/zinc/93/31/18/530933118.db2.gz IOVIVGSVACNTLB-UHFFFAOYSA-N 1 0 388.262 1.984 20 5 GDBDRO COC[C@](C)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000132528643 531081258 /nfs/dbraw/zinc/08/12/58/531081258.db2.gz USPQFVGBQKTOAJ-AWEZNQCLSA-N 1 0 390.234 1.673 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262420093 531119777 /nfs/dbraw/zinc/11/97/77/531119777.db2.gz RRHLAKHCXATCBK-AWEZNQCLSA-N 1 0 397.273 1.406 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000150872810 531130699 /nfs/dbraw/zinc/13/06/99/531130699.db2.gz AWKBOYOYWYVRCA-LBPRGKRZSA-N 1 0 379.866 1.883 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000150871745 531130795 /nfs/dbraw/zinc/13/07/95/531130795.db2.gz KXWCZKAEIHWJAW-LLVKDONJSA-N 1 0 379.866 1.883 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000150875288 531131027 /nfs/dbraw/zinc/13/10/27/531131027.db2.gz QTSVCHNDFDUOFW-GFCCVEGCSA-N 1 0 379.866 1.883 20 5 GDBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000157326159 531206431 /nfs/dbraw/zinc/20/64/31/531206431.db2.gz SBOGUWRTNUOVBD-LLVKDONJSA-N 1 0 377.182 1.913 20 5 GDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000157326288 531206442 /nfs/dbraw/zinc/20/64/42/531206442.db2.gz SBOGUWRTNUOVBD-NSHDSACASA-N 1 0 377.182 1.913 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000158176121 531207808 /nfs/dbraw/zinc/20/78/08/531207808.db2.gz XJIOHKUYLONUGY-CYBMUJFWSA-N 1 0 389.239 1.954 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265765415 531284915 /nfs/dbraw/zinc/28/49/15/531284915.db2.gz HENWSYDHTLABLT-CYBMUJFWSA-N 1 0 399.245 1.427 20 5 GDBDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267383413 531423239 /nfs/dbraw/zinc/42/32/39/531423239.db2.gz VCWQMBXJAXRAJW-OAHLLOKOSA-N 1 0 386.861 1.740 20 5 GDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542758270 531476666 /nfs/dbraw/zinc/47/66/66/531476666.db2.gz WVFZAICKCWEQGQ-UHFFFAOYSA-N 1 0 379.866 1.885 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415286301 531471316 /nfs/dbraw/zinc/47/13/16/531471316.db2.gz TXWWHHTZRQEMST-SNVBAGLBSA-N 1 0 399.245 1.754 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415791853 531532053 /nfs/dbraw/zinc/53/20/53/531532053.db2.gz SSFQMTPCUYJVTK-NOZJJQNGSA-N 1 0 397.229 1.506 20 5 GDBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1cc(Br)cn1 ZINC000591767298 531740062 /nfs/dbraw/zinc/74/00/62/531740062.db2.gz CCBHOQHWLNNSNM-LBPRGKRZSA-N 1 0 385.218 1.583 20 5 GDBDRO Cc1c(Br)cc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000297024677 531749222 /nfs/dbraw/zinc/74/92/22/531749222.db2.gz RSJZTNRUGBRONS-UHFFFAOYSA-N 1 0 386.246 1.852 20 5 GDBDRO C[N@@H+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000282435785 531753507 /nfs/dbraw/zinc/75/35/07/531753507.db2.gz GHYMXAQXJFRSMM-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO C[N@@H+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282567358 531771816 /nfs/dbraw/zinc/77/18/16/531771816.db2.gz ORDFTYNIOLJAFP-UHFFFAOYSA-N 1 0 390.893 1.553 20 5 GDBDRO COCC[N@H+](C)CCCNc1c(I)cncc1[N+](=O)[O-] ZINC000418832343 531849061 /nfs/dbraw/zinc/84/90/61/531849061.db2.gz KARWYXCWJGXOJU-UHFFFAOYSA-N 1 0 394.213 1.397 20 5 GDBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(Br)c1 ZINC000298526576 531898960 /nfs/dbraw/zinc/89/89/60/531898960.db2.gz WDJGJIBILFUMGZ-LSDHHAIUSA-N 1 0 399.245 1.580 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000599103101 532006712 /nfs/dbraw/zinc/00/67/12/532006712.db2.gz SFPXPVGXDPPLCG-WCQYABFASA-N 1 0 381.376 1.884 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420447619 532014077 /nfs/dbraw/zinc/01/40/77/532014077.db2.gz CWHSALNBPUUVGF-IUCAKERBSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(Br)c1 ZINC000420447096 532014303 /nfs/dbraw/zinc/01/43/03/532014303.db2.gz CCBQCWAXBRLQRY-JTQLQIEISA-N 1 0 394.247 1.014 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c(C(F)(F)F)c1 ZINC000420459326 532018009 /nfs/dbraw/zinc/01/80/09/532018009.db2.gz QTPUVAXASHYEIJ-JTQLQIEISA-N 1 0 383.348 1.270 20 5 GDBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000424366635 532089499 /nfs/dbraw/zinc/08/94/99/532089499.db2.gz YQKGAFADIQYIIV-GHMZBOCLSA-N 1 0 378.248 1.906 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000275452351 532295882 /nfs/dbraw/zinc/29/58/82/532295882.db2.gz IUZYZBLBAOPTGF-KBPBESRZSA-N 1 0 389.474 1.934 20 5 GDBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000738367524 598467044 /nfs/dbraw/zinc/46/70/44/598467044.db2.gz UOVYMLJXARPAFF-UHFFFAOYSA-N 1 0 380.412 1.929 20 5 GDBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)c1 ZINC000737160264 598797380 /nfs/dbraw/zinc/79/73/80/598797380.db2.gz XOQMRUCVFZQKBS-UHFFFAOYSA-N 1 0 382.384 1.505 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825934284 608037083 /nfs/dbraw/zinc/03/70/83/608037083.db2.gz LWANUBURGURYNJ-UHFFFAOYSA-N 1 0 391.823 1.798 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533465844 650053370 /nfs/dbraw/zinc/05/33/70/650053370.db2.gz KWGJIHGQLISGLR-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H]1CSC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000553673651 650653624 /nfs/dbraw/zinc/65/36/24/650653624.db2.gz FSMPMJFIQQYKNK-RISCZKNCSA-N 1 0 388.515 1.598 20 5 GDBDRO CCC[NH2+]CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000566206592 650834479 /nfs/dbraw/zinc/83/44/79/650834479.db2.gz SCDCWRWUGIZTBX-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000123366835 644695075 /nfs/dbraw/zinc/69/50/75/644695075.db2.gz TUDGPXNBVDDLIZ-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000178920134 644928290 /nfs/dbraw/zinc/92/82/90/644928290.db2.gz KDNFQVNXFKAFIZ-SECBINFHSA-N 1 0 378.248 1.696 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193458379 645052133 /nfs/dbraw/zinc/05/21/33/645052133.db2.gz DFFFPXLLXVGROU-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C ZINC000262784069 645139077 /nfs/dbraw/zinc/13/90/77/645139077.db2.gz PRECOSCJYIEPJB-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262798952 645139424 /nfs/dbraw/zinc/13/94/24/645139424.db2.gz UXXAWHFMHSIXOD-SCZZXKLOSA-N 1 0 378.248 1.634 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422558866 646079116 /nfs/dbraw/zinc/07/91/16/646079116.db2.gz ZWFBDFVQUKDWEC-AXFHLTTASA-N 1 0 375.422 1.736 20 5 GDBDRO Cn1cc([C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424224272 646166045 /nfs/dbraw/zinc/16/60/45/646166045.db2.gz JRIKHYAKPCLGRW-UONOGXRCSA-N 1 0 394.229 1.658 20 5 GDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)C1CC([NH3+])C1 ZINC000578750690 651810259 /nfs/dbraw/zinc/81/02/59/651810259.db2.gz WNKBFKVJLIRCKN-UHFFFAOYSA-N 1 0 375.166 1.761 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000578867148 651820643 /nfs/dbraw/zinc/82/06/43/651820643.db2.gz JKKXSXFWBLXFIN-UWVGGRQHSA-N 1 0 390.259 1.587 20 5 GDBDRO [NH3+][C@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000584468953 652071339 /nfs/dbraw/zinc/07/13/39/652071339.db2.gz CFAHRZPBVJWALX-LLVKDONJSA-N 1 0 375.166 1.667 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000589926629 652121251 /nfs/dbraw/zinc/12/12/51/652121251.db2.gz XVQKCXRPHOXLKU-JOYOIKCWSA-N 1 0 390.259 1.682 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000593730310 652244707 /nfs/dbraw/zinc/24/47/07/652244707.db2.gz IEMZWXVQNHWGJL-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799648 652366894 /nfs/dbraw/zinc/36/68/94/652366894.db2.gz OGZWTWONSSYVLI-JTQLQIEISA-N 1 0 375.422 1.894 20 5 GDBDRO [NH3+][C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595260753 652400715 /nfs/dbraw/zinc/40/07/15/652400715.db2.gz KPNWAEPCUGMGAS-GHMZBOCLSA-N 1 0 393.156 1.711 20 5 GDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000595944400 652428480 /nfs/dbraw/zinc/42/84/80/652428480.db2.gz WYKUIGBDJVMBBL-UHFFFAOYSA-N 1 0 387.177 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000599106965 652478537 /nfs/dbraw/zinc/47/85/37/652478537.db2.gz KUZVGXYWUVJPMJ-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO Cc1c(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(Br)cc1[N+](=O)[O-] ZINC000599785237 652514256 /nfs/dbraw/zinc/51/42/56/652514256.db2.gz LSXACIGJOZXKEP-NSHDSACASA-N 1 0 387.234 1.854 20 5 GDBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000601428447 652580628 /nfs/dbraw/zinc/58/06/28/652580628.db2.gz LYPILYGHXGSIMS-UHFFFAOYSA-N 1 0 375.422 1.847 20 5 GDBDRO CSC(C)(C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000743460126 654716828 /nfs/dbraw/zinc/71/68/28/654716828.db2.gz ATACPRAPVVXEQV-UHFFFAOYSA-N 1 0 390.531 1.988 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ccc1I)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000700967916 654832020 /nfs/dbraw/zinc/83/20/20/654832020.db2.gz WQUXDSJJQTXJIJ-PELKAZGASA-N 1 0 387.177 1.633 20 5 GDBDRO Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000805115018 655026275 /nfs/dbraw/zinc/02/62/75/655026275.db2.gz GDKLGZHCRSOHLP-VIFPVBQESA-N 1 0 380.264 1.894 20 5 GDBDRO CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809726052 655135694 /nfs/dbraw/zinc/13/56/94/655135694.db2.gz CUCBWOKLGMFUGB-GFCCVEGCSA-N 1 0 376.866 1.609 20 5 GDBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842787557 655376982 /nfs/dbraw/zinc/37/69/82/655376982.db2.gz QHEQAVLZIWNRBT-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(Br)cc2F)c1 ZINC000819040925 655383511 /nfs/dbraw/zinc/38/35/11/655383511.db2.gz PJWHGSTXFXLEES-CYBMUJFWSA-N 1 0 387.209 1.886 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000844226432 655408741 /nfs/dbraw/zinc/40/87/41/655408741.db2.gz HJRAUUKUFFVJKK-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO C[NH+](C)CCN1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1=O ZINC000844381686 655409891 /nfs/dbraw/zinc/40/98/91/655409891.db2.gz QUEHYZSPLFDSCW-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825708373 655492761 /nfs/dbraw/zinc/49/27/61/655492761.db2.gz HDDDKUPUQRYOFK-JTQLQIEISA-N 1 0 387.234 1.593 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000851851679 655599702 /nfs/dbraw/zinc/59/97/02/655599702.db2.gz DFPQBRKURCBZEG-CYBMUJFWSA-N 1 0 389.861 1.468 20 5 GDBDRO CN(CC1C[NH+](C)C1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853552561 655642430 /nfs/dbraw/zinc/64/24/30/655642430.db2.gz AUGJKWWELBYPEE-UHFFFAOYSA-N 1 0 383.246 1.764 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000858623086 655750853 /nfs/dbraw/zinc/75/08/53/655750853.db2.gz FGLGRHHXVBEPJU-BDAKNGLRSA-N 1 0 385.339 1.882 20 5 GDBDRO COc1c(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000858640272 655751770 /nfs/dbraw/zinc/75/17/70/655751770.db2.gz KGWAKLYYCSHWAM-SSDOTTSWSA-N 1 0 396.263 1.642 20 5 GDBDRO CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000861911684 655833476 /nfs/dbraw/zinc/83/34/76/655833476.db2.gz CQBVYANGXKHQSN-ATCWAGBWSA-N 1 0 397.273 1.812 20 5 GDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000869779862 656207355 /nfs/dbraw/zinc/20/73/55/656207355.db2.gz KVBFNHSGLVIICT-LBPRGKRZSA-N 1 0 386.246 1.932 20 5 GDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000932829788 657226421 /nfs/dbraw/zinc/22/64/21/657226421.db2.gz AASNOUXGDKZBJS-GFCCVEGCSA-N 1 0 398.257 1.820 20 5 GDBDRO CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)CC1 ZINC000902292169 659251055 /nfs/dbraw/zinc/25/10/55/659251055.db2.gz BYVOJFIPBTXSAB-UHFFFAOYSA-N 1 0 387.234 1.120 20 5 GDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000903588962 659355567 /nfs/dbraw/zinc/35/55/67/659355567.db2.gz RIZQTRFIJPNIID-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000905228571 659434954 /nfs/dbraw/zinc/43/49/54/659434954.db2.gz FHEHENRKDOSKPS-LBPRGKRZSA-N 1 0 392.275 1.469 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164736752 720673333 /nfs/dbraw/zinc/67/33/33/720673333.db2.gz AZINRIOSNNXBPT-OLZOCXBDSA-N 1 0 376.804 1.775 20 5 GDBDRO CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000176806404 530691476 /nfs/dbraw/zinc/69/14/76/530691476.db2.gz VPVSSHXPYHLMFY-UHFFFAOYSA-N 1 0 377.182 1.833 20 5 GDBDRO C[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000177283938 530700548 /nfs/dbraw/zinc/70/05/48/530700548.db2.gz YMUPQMRLDSJIKJ-LBPRGKRZSA-N 1 0 399.289 1.971 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000180080036 530756886 /nfs/dbraw/zinc/75/68/86/530756886.db2.gz WWABOBLGWMXRTA-GFCCVEGCSA-N 1 0 375.422 1.167 20 5 GDBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000184339531 530827290 /nfs/dbraw/zinc/82/72/90/530827290.db2.gz HKXYNGYBXNJQSZ-UHFFFAOYSA-N 1 0 385.364 1.206 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000186844342 530863814 /nfs/dbraw/zinc/86/38/14/530863814.db2.gz CBRVVSSZMNJQTC-PELKAZGASA-N 1 0 389.193 1.927 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000186854661 530863991 /nfs/dbraw/zinc/86/39/91/530863991.db2.gz UDZIBAYGCILRLS-PELKAZGASA-N 1 0 389.193 1.927 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187177090 530867919 /nfs/dbraw/zinc/86/79/19/530867919.db2.gz MGNXEMCZLSQVDL-GHMZBOCLSA-N 1 0 375.422 1.846 20 5 GDBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000122514323 530972646 /nfs/dbraw/zinc/97/26/46/530972646.db2.gz UXSHGVMFYIJIBI-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123449965 530983917 /nfs/dbraw/zinc/98/39/17/530983917.db2.gz MGWLXANEWRJFLJ-WKPIXPDZSA-N 1 0 399.245 1.626 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237435710 531046614 /nfs/dbraw/zinc/04/66/14/531046614.db2.gz IYEDLIMJNPSLEB-PSASIEDQSA-N 1 0 378.248 1.858 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1I)N1CCC[NH2+]CC1 ZINC000237802573 531050390 /nfs/dbraw/zinc/05/03/90/531050390.db2.gz VRQISJIQLPIACZ-UHFFFAOYSA-N 1 0 375.166 1.635 20 5 GDBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000237803779 531050637 /nfs/dbraw/zinc/05/06/37/531050637.db2.gz BTWWBUMAXOFKSF-SECBINFHSA-N 1 0 389.193 1.929 20 5 GDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]12 ZINC000248667560 531080608 /nfs/dbraw/zinc/08/06/08/531080608.db2.gz XCEBMYUTUQNCJJ-PTOFAABTSA-N 1 0 379.360 1.971 20 5 GDBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]12 ZINC000248667559 531080634 /nfs/dbraw/zinc/08/06/34/531080634.db2.gz XCEBMYUTUQNCJJ-MKPLZMMCSA-N 1 0 379.360 1.971 20 5 GDBDRO CN(C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000136469909 531114557 /nfs/dbraw/zinc/11/45/57/531114557.db2.gz WNDRUGYPAUXJEK-CYBMUJFWSA-N 1 0 389.861 1.439 20 5 GDBDRO CSC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265492239 531259202 /nfs/dbraw/zinc/25/92/02/531259202.db2.gz KPLBRBJVTPVAQW-GFCCVEGCSA-N 1 0 390.531 1.988 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000440422153 531339093 /nfs/dbraw/zinc/33/90/93/531339093.db2.gz RAFBVVKNTUAUEC-GZMMTYOYSA-N 1 0 378.248 1.715 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H](C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000440752068 531344212 /nfs/dbraw/zinc/34/42/12/531344212.db2.gz WLDCOKJFHJNSIY-ZCFIWIBFSA-N 1 0 382.236 1.300 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440839584 531347044 /nfs/dbraw/zinc/34/70/44/531347044.db2.gz CKBGKFDYUGWJTN-KWQFWETISA-N 1 0 378.248 1.634 20 5 GDBDRO C[N@H+]1C[C@H]2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278701153 531380692 /nfs/dbraw/zinc/38/06/92/531380692.db2.gz IIFPOSDPNSNIHO-AOOOYVTPSA-N 1 0 379.360 1.886 20 5 GDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000447241448 531421660 /nfs/dbraw/zinc/42/16/60/531421660.db2.gz AHCZGZPUCFSRPC-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415415838 531484113 /nfs/dbraw/zinc/48/41/13/531484113.db2.gz MDZOIHXFADAHKE-QMMMGPOBSA-N 1 0 387.234 1.576 20 5 GDBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCS(=O)(=O)C3)s2)cc1 ZINC000294915606 531508216 /nfs/dbraw/zinc/50/82/16/531508216.db2.gz YHIYILMOUJGNIG-MRXNPFEDSA-N 1 0 382.463 1.963 20 5 GDBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415663110 531510310 /nfs/dbraw/zinc/51/03/10/531510310.db2.gz XZCLYJUQISVCMS-MRVPVSSYSA-N 1 0 387.234 1.718 20 5 GDBDRO C[N@H+](CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000551767382 531546027 /nfs/dbraw/zinc/54/60/27/531546027.db2.gz LWTYZLSIBDEHBF-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000562070794 531733937 /nfs/dbraw/zinc/73/39/37/531733937.db2.gz OZTFCVMIZUZNLE-MRVPVSSYSA-N 1 0 377.182 1.766 20 5 GDBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000595118835 531866352 /nfs/dbraw/zinc/86/63/52/531866352.db2.gz HGYKOWLGSNDYJR-ZETCQYMHSA-N 1 0 396.263 1.561 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367797159 531865115 /nfs/dbraw/zinc/86/51/15/531865115.db2.gz JGQAKMSOHNBPNL-KOLCDFICSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)c1 ZINC000595830404 531890231 /nfs/dbraw/zinc/89/02/31/531890231.db2.gz UVCSKGQNGLLVNN-GXFFZTMASA-N 1 0 375.212 1.782 20 5 GDBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC3CC3)CC2)s1 ZINC000596267190 531915349 /nfs/dbraw/zinc/91/53/49/531915349.db2.gz YRNFTCNXHZCTEK-UHFFFAOYSA-N 1 0 389.499 1.391 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c(C(F)(F)F)c1 ZINC000370104180 531981953 /nfs/dbraw/zinc/98/19/53/531981953.db2.gz SNURANNDFHHAIA-CABZTGNLSA-N 1 0 379.360 1.986 20 5 GDBDRO C[NH2+]CCOCCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000599106253 532006089 /nfs/dbraw/zinc/00/60/89/532006089.db2.gz CXRFWESJHKDYFJ-UHFFFAOYSA-N 1 0 396.263 1.180 20 5 GDBDRO C[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000599479885 532031635 /nfs/dbraw/zinc/03/16/35/532031635.db2.gz LVMJHYCJRMCLKP-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301821599 532040103 /nfs/dbraw/zinc/04/01/03/532040103.db2.gz MFVAEUPZPZEPJD-CYBMUJFWSA-N 1 0 398.261 1.671 20 5 GDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602699521 532081931 /nfs/dbraw/zinc/08/19/31/532081931.db2.gz WXCAOJJASDPZOC-SECBINFHSA-N 1 0 391.291 1.971 20 5 GDBDRO C[C@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000286353798 532144379 /nfs/dbraw/zinc/14/43/79/532144379.db2.gz JBVKXRXGAOOGCF-VIFPVBQESA-N 1 0 381.813 1.074 20 5 GDBDRO C[C@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000286589877 532162172 /nfs/dbraw/zinc/16/21/72/532162172.db2.gz QQKJILOZHKCMQM-HUUCEWRRSA-N 1 0 399.245 1.412 20 5 GDBDRO O=C(CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000428038479 532196766 /nfs/dbraw/zinc/19/67/66/532196766.db2.gz OBRMQCCGSIXDBS-MFKMUULPSA-N 1 0 383.246 1.980 20 5 GDBDRO CS[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275876821 532313405 /nfs/dbraw/zinc/31/34/05/532313405.db2.gz WDBIPSNXYNNUDG-QWHCGFSZSA-N 1 0 386.499 1.258 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289105070 532315606 /nfs/dbraw/zinc/31/56/06/532315606.db2.gz CLIMBBKYFRNNDS-LBPRGKRZSA-N 1 0 383.246 1.477 20 5 GDBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737437998 598671946 /nfs/dbraw/zinc/67/19/46/598671946.db2.gz XBHUQSAHDSUAMI-GFCCVEGCSA-N 1 0 381.400 1.812 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)nc1 ZINC000738369660 599358322 /nfs/dbraw/zinc/35/83/22/599358322.db2.gz LJSWFNSXVZXZDL-ZDUSSCGKSA-N 1 0 384.375 1.995 20 5 GDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000826033752 607451676 /nfs/dbraw/zinc/45/16/76/607451676.db2.gz JGQMEXVDQZJUBE-OAHLLOKOSA-N 1 0 386.460 1.381 20 5 GDBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)cc1[N+](=O)[O-] ZINC000822229395 606484778 /nfs/dbraw/zinc/48/47/78/606484778.db2.gz TYECYQPQXKZBRV-RYUDHWBXSA-N 1 0 383.416 1.672 20 5 GDBDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000821601588 606701047 /nfs/dbraw/zinc/70/10/47/606701047.db2.gz PLEUABKIEOJBSY-UHFFFAOYSA-N 1 0 397.403 1.021 20 5 GDBDRO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000820788773 606785035 /nfs/dbraw/zinc/78/50/35/606785035.db2.gz NTKLGNFXHCNGJY-CYBMUJFWSA-N 1 0 395.427 1.318 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000823619830 607167674 /nfs/dbraw/zinc/16/76/74/607167674.db2.gz BTYBEVXNICMKPO-AWEZNQCLSA-N 1 0 396.411 1.001 20 5 GDBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000824706921 607841117 /nfs/dbraw/zinc/84/11/17/607841117.db2.gz MANCICVMSKJIFW-LBPRGKRZSA-N 1 0 375.433 1.304 20 5 GDBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000826190714 608300139 /nfs/dbraw/zinc/30/01/39/608300139.db2.gz KNKLYTKAGYPLCW-QGZVFWFLSA-N 1 0 384.400 1.551 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000551495450 650607708 /nfs/dbraw/zinc/60/77/08/650607708.db2.gz YRTPBEDFVIORFO-JTQLQIEISA-N 1 0 399.245 1.754 20 5 GDBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000193326741 645049302 /nfs/dbraw/zinc/04/93/02/645049302.db2.gz ZRRIJOVDGRZBQS-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237209182 645084929 /nfs/dbraw/zinc/08/49/29/645084929.db2.gz RQLDLFGCYWTKCN-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262773032 645138329 /nfs/dbraw/zinc/13/83/29/645138329.db2.gz JDVXQRUDQLFZHI-SCZZXKLOSA-N 1 0 378.248 1.776 20 5 GDBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)C1 ZINC000371311362 645734211 /nfs/dbraw/zinc/73/42/11/645734211.db2.gz VPMPXFWPMSUDAD-GFCCVEGCSA-N 1 0 384.278 1.969 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000471648727 647750567 /nfs/dbraw/zinc/75/05/67/647750567.db2.gz WESJPWVGCIMSMR-UHFFFAOYSA-N 1 0 385.364 1.470 20 5 GDBDRO C[NH+]1CCN(CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000516207301 648517796 /nfs/dbraw/zinc/51/77/96/648517796.db2.gz NAKPUIXOQPQSGG-UHFFFAOYSA-N 1 0 376.504 1.499 20 5 GDBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141008 651468958 /nfs/dbraw/zinc/46/89/58/651468958.db2.gz NLEJGVZOVKADGF-NWDGAFQWSA-N 1 0 398.217 1.133 20 5 GDBDRO COc1ccc(Br)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000579669407 651875454 /nfs/dbraw/zinc/87/54/54/651875454.db2.gz WVNFKQWRVSBDMY-GFCCVEGCSA-N 1 0 385.218 1.713 20 5 GDBDRO CC[C@@](C)([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(N)=O ZINC000580802700 651940357 /nfs/dbraw/zinc/94/03/57/651940357.db2.gz NTTLXVBXJISRDH-GFCCVEGCSA-N 1 0 377.182 1.943 20 5 GDBDRO C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCN1C ZINC000582316305 651988551 /nfs/dbraw/zinc/98/85/51/651988551.db2.gz KBKFVWOKYIKXOW-UWVGGRQHSA-N 1 0 399.245 1.847 20 5 GDBDRO CNS(=O)(=O)c1ccc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000589604611 652115707 /nfs/dbraw/zinc/11/57/07/652115707.db2.gz LEYGHQOBIXXHGK-UHFFFAOYSA-N 1 0 388.515 1.742 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381382 652185496 /nfs/dbraw/zinc/18/54/96/652185496.db2.gz GNGOGBVFQVFMMH-MWLCHTKSSA-N 1 0 379.360 1.986 20 5 GDBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000594531467 652310668 /nfs/dbraw/zinc/31/06/68/652310668.db2.gz BGYSZRMEIMOBRR-QMMMGPOBSA-N 1 0 399.123 1.302 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000597623892 652455309 /nfs/dbraw/zinc/45/53/09/652455309.db2.gz DCROTVASYHJQPJ-GFCCVEGCSA-N 1 0 383.246 1.477 20 5 GDBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599927414 652518451 /nfs/dbraw/zinc/51/84/51/652518451.db2.gz WAYIROTZGKHOFC-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602594774 652642367 /nfs/dbraw/zinc/64/23/67/652642367.db2.gz DBKHTNULYJARDK-JGVFFNPUSA-N 1 0 375.166 1.761 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000610409374 652883297 /nfs/dbraw/zinc/88/32/97/652883297.db2.gz RUNGCAUHYIMZKF-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000747469680 654786451 /nfs/dbraw/zinc/78/64/51/654786451.db2.gz HYUIEDSKEYPFIK-LBPRGKRZSA-N 1 0 390.282 1.944 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000702652434 654832372 /nfs/dbraw/zinc/83/23/72/654832372.db2.gz ZTURFZWNVUQTAX-SFYZADRCSA-N 1 0 375.166 1.761 20 5 GDBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000751000357 654867619 /nfs/dbraw/zinc/86/76/19/654867619.db2.gz YYDXPMBORMFUSK-VXGBXAGGSA-N 1 0 384.230 1.950 20 5 GDBDRO COCCCN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000810097098 655150094 /nfs/dbraw/zinc/15/00/94/655150094.db2.gz CVFXDQOYPKROLL-UHFFFAOYSA-N 1 0 377.488 1.778 20 5 GDBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000762720403 655175492 /nfs/dbraw/zinc/17/54/92/655175492.db2.gz VOYYATSMYIOPJU-ZDUSSCGKSA-N 1 0 392.637 1.807 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C[NH+](C)C ZINC000813730834 655243651 /nfs/dbraw/zinc/24/36/51/655243651.db2.gz VTBOTCFRSJLBCV-VIFPVBQESA-N 1 0 380.264 1.833 20 5 GDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018545 655278804 /nfs/dbraw/zinc/27/88/04/655278804.db2.gz SYTJXMCQJLJWBN-UHFFFAOYSA-N 1 0 383.829 1.634 20 5 GDBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162244 655311411 /nfs/dbraw/zinc/31/14/11/655311411.db2.gz ZGBLHKPEHLUNTN-JTQLQIEISA-N 1 0 385.218 1.554 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000841182023 655312560 /nfs/dbraw/zinc/31/25/60/655312560.db2.gz KOQBRMVSFWORBL-JTQLQIEISA-N 1 0 387.234 1.704 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841186728 655312786 /nfs/dbraw/zinc/31/27/86/655312786.db2.gz LRCPSKGTWDVXFQ-KOLCDFICSA-N 1 0 397.229 1.649 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000841207185 655313971 /nfs/dbraw/zinc/31/39/71/655313971.db2.gz HXMWVTNLJSPJAN-VHSXEESVSA-N 1 0 399.245 1.813 20 5 GDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841209186 655314241 /nfs/dbraw/zinc/31/42/41/655314241.db2.gz MBFBAVNMJMHJBX-DTWKUNHWSA-N 1 0 385.218 1.505 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000841218563 655315367 /nfs/dbraw/zinc/31/53/67/655315367.db2.gz RTXOPPSAMUBNAA-QPUJVOFHSA-N 1 0 399.245 1.718 20 5 GDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000841227653 655315773 /nfs/dbraw/zinc/31/57/73/655315773.db2.gz LIBCIIWTRKXLJX-BXKDBHETSA-N 1 0 399.245 1.882 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000841256890 655317628 /nfs/dbraw/zinc/31/76/28/655317628.db2.gz LPAJADWPDWLNHW-QMMMGPOBSA-N 1 0 395.160 1.395 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841262619 655318256 /nfs/dbraw/zinc/31/82/56/655318256.db2.gz WXXROQLMEYEMDU-UWVGGRQHSA-N 1 0 399.245 1.848 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)cc1Br ZINC000842482048 655367277 /nfs/dbraw/zinc/36/72/77/655367277.db2.gz VPOQSEOOGDOMJT-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000842719907 655373376 /nfs/dbraw/zinc/37/33/76/655373376.db2.gz NUEPQNNQQCPKGE-KCJUWKMLSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842726404 655373892 /nfs/dbraw/zinc/37/38/92/655373892.db2.gz FVNGQXKSBHFIEO-WCBMZHEXSA-N 1 0 378.248 1.715 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000842763768 655375639 /nfs/dbraw/zinc/37/56/39/655375639.db2.gz CHIZCKLLDDYPNB-ZDUSSCGKSA-N 1 0 390.259 1.731 20 5 GDBDRO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000861525497 655824559 /nfs/dbraw/zinc/82/45/59/655824559.db2.gz ZDZRXYMESQVHHA-WCBMZHEXSA-N 1 0 385.218 1.553 20 5 GDBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000870964453 656259012 /nfs/dbraw/zinc/25/90/12/656259012.db2.gz FEUGCBSRTAUEGB-WKFQBHICSA-N 1 0 375.166 1.667 20 5 GDBDRO Cc1c(NC(=O)N2CCNCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000926110720 656736543 /nfs/dbraw/zinc/73/65/43/656736543.db2.gz XWZHLMITUFQTMF-UHFFFAOYSA-N 1 0 386.250 1.692 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929259893 656957035 /nfs/dbraw/zinc/95/70/35/656957035.db2.gz QJZQQWXVRBOUGN-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO C[NH+]1CCN(Cc2cn(Cc3c(Br)cccc3[N+](=O)[O-])nn2)CC1 ZINC000900640838 659129782 /nfs/dbraw/zinc/12/97/82/659129782.db2.gz CUCWOBLETWPEHN-UHFFFAOYSA-N 1 0 395.261 1.745 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])C2 ZINC001164807950 720139965 /nfs/dbraw/zinc/13/99/65/720139965.db2.gz DACDDIAMKLERKG-VQIMIIECSA-N 1 0 376.457 1.721 20 5 GDBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)n1 ZINC001164732052 720477126 /nfs/dbraw/zinc/47/71/26/720477126.db2.gz YIVKQZBPBDXBTE-HOTGVXAUSA-N 1 0 397.439 1.900 20 5 GDBDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC[C@@H]21 ZINC001164833334 720509562 /nfs/dbraw/zinc/50/95/62/720509562.db2.gz DFKHNFCDNKTIAR-NJAFHUGGSA-N 1 0 386.456 1.803 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c([N+](=O)[O-])c1 ZINC001164732674 720557400 /nfs/dbraw/zinc/55/74/00/720557400.db2.gz CVFOZCXJKXPWJH-UHFFFAOYSA-N 1 0 387.400 1.753 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164736753 720674974 /nfs/dbraw/zinc/67/49/74/720674974.db2.gz AZINRIOSNNXBPT-QWHCGFSZSA-N 1 0 376.804 1.775 20 5 GDBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164745332 720800721 /nfs/dbraw/zinc/80/07/21/720800721.db2.gz JYZIOICLAMHPLY-KBPBESRZSA-N 1 0 393.407 1.670 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856587 720841108 /nfs/dbraw/zinc/84/11/08/720841108.db2.gz WYJAVPYKPYKXTI-STQMWFEESA-N 1 0 385.852 1.520 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864770 721109652 /nfs/dbraw/zinc/10/96/52/721109652.db2.gz GQKATKPQEZGOEC-IAGOWNOFSA-N 1 0 385.424 1.411 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc([N+](=O)[O-])ccn4)C3)O2)CC1 ZINC001164894571 721382207 /nfs/dbraw/zinc/38/22/07/721382207.db2.gz ZBSDDQJLPCHYSQ-MJGOQNOKSA-N 1 0 375.473 1.755 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164897104 721508532 /nfs/dbraw/zinc/50/85/32/721508532.db2.gz DPWNRUUWKDHYOC-UKRRQHHQSA-N 1 0 389.387 1.874 20 5 GDBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000158883926 530536573 /nfs/dbraw/zinc/53/65/73/530536573.db2.gz NAXBBXJQVPFZIB-UHFFFAOYSA-N 1 0 385.262 1.677 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000158934583 530537815 /nfs/dbraw/zinc/53/78/15/530537815.db2.gz CCNFGXRIMKZKFK-LBPRGKRZSA-N 1 0 377.850 1.373 20 5 GDBDRO Cc1sc(C(=O)N(CCC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000097160702 530819906 /nfs/dbraw/zinc/81/99/06/530819906.db2.gz PKNLCYWGQNMASR-GFCCVEGCSA-N 1 0 389.499 1.546 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000106895438 530851763 /nfs/dbraw/zinc/85/17/63/530851763.db2.gz SZCWIUTZZOSPPV-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(F)c(Br)c2)c1 ZINC000521759036 531251385 /nfs/dbraw/zinc/25/13/85/531251385.db2.gz RRUXDSWMZSDXEZ-LBPRGKRZSA-N 1 0 387.209 1.886 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447242702 531421649 /nfs/dbraw/zinc/42/16/49/531421649.db2.gz DFPHSYMKKGSFRX-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000279565650 531441097 /nfs/dbraw/zinc/44/10/97/531441097.db2.gz UKRRFGGXICWYIX-LBPRGKRZSA-N 1 0 388.515 1.600 20 5 GDBDRO CS[C@@H]1CCN(c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000295030390 531516384 /nfs/dbraw/zinc/51/63/84/531516384.db2.gz RSFZMYYWMQXPPB-GFCCVEGCSA-N 1 0 388.515 1.376 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415624795 531504646 /nfs/dbraw/zinc/50/46/46/531504646.db2.gz OLJWTJOMFGKVEH-PELKAZGASA-N 1 0 399.245 1.718 20 5 GDBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415623802 531505016 /nfs/dbraw/zinc/50/50/16/531505016.db2.gz IEAIVKJQZCTRKA-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415835919 531540613 /nfs/dbraw/zinc/54/06/13/531540613.db2.gz PLNCONJWKYHJRW-WCBMZHEXSA-N 1 0 385.218 1.539 20 5 GDBDRO C[C@]1(F)C[NH2+]CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000584530492 531623973 /nfs/dbraw/zinc/62/39/73/531623973.db2.gz SRBSIZZFMJBOMT-AWEZNQCLSA-N 1 0 389.225 1.929 20 5 GDBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000560184581 531629699 /nfs/dbraw/zinc/62/96/99/531629699.db2.gz OFZLFDURNWMGSG-JTQLQIEISA-N 1 0 399.245 1.896 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000619489310 531709277 /nfs/dbraw/zinc/70/92/77/531709277.db2.gz SGESNIQKMJACHW-CQSZACIVSA-N 1 0 375.472 1.319 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000366317954 531735325 /nfs/dbraw/zinc/73/53/25/531735325.db2.gz UUGVTWHJVFHSPM-BXKDBHETSA-N 1 0 390.259 1.730 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591683976 531735659 /nfs/dbraw/zinc/73/56/59/531735659.db2.gz GMKWKGZWQCYONO-PELKAZGASA-N 1 0 389.193 1.927 20 5 GDBDRO CC(C)[NH+]1CCC(O)(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000269856710 531786074 /nfs/dbraw/zinc/78/60/74/531786074.db2.gz RNLBVRKNKMZKEN-UHFFFAOYSA-N 1 0 391.877 1.762 20 5 GDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592873584 531806584 /nfs/dbraw/zinc/80/65/84/531806584.db2.gz OEIZXIIZRBIRRG-JTQLQIEISA-N 1 0 399.245 1.549 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000595122398 531867120 /nfs/dbraw/zinc/86/71/20/531867120.db2.gz YQMPMWCHGANZLH-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000298188645 531863492 /nfs/dbraw/zinc/86/34/92/531863492.db2.gz WPVFXQBFIOYGIW-UHFFFAOYSA-N 1 0 384.483 1.809 20 5 GDBDRO COC(=O)CCSc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000298213871 531865507 /nfs/dbraw/zinc/86/55/07/531865507.db2.gz YIGLOJFDCMYBLY-UHFFFAOYSA-N 1 0 391.471 1.090 20 5 GDBDRO NC(=O)NC(=O)CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000283942987 531912371 /nfs/dbraw/zinc/91/23/71/531912371.db2.gz AGLZPHYDQPKVDZ-UHFFFAOYSA-N 1 0 385.218 1.691 20 5 GDBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000599098099 532004844 /nfs/dbraw/zinc/00/48/44/532004844.db2.gz BTXCDLPJAFFALH-UHFFFAOYSA-N 1 0 396.263 1.644 20 5 GDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000420462073 532019045 /nfs/dbraw/zinc/01/90/45/532019045.db2.gz MNOQNFVDAFUKGP-SECBINFHSA-N 1 0 388.190 1.618 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000376145751 532197165 /nfs/dbraw/zinc/19/71/65/532197165.db2.gz UZELBDARVKCCSZ-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736406399 598673145 /nfs/dbraw/zinc/67/31/45/598673145.db2.gz LBBGUHWLPTXXRB-OAHLLOKOSA-N 1 0 397.443 1.572 20 5 GDBDRO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000823648593 606186392 /nfs/dbraw/zinc/18/63/92/606186392.db2.gz XQJPGLLSRFBEGO-UHFFFAOYSA-N 1 0 397.443 1.179 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000826497539 608243169 /nfs/dbraw/zinc/24/31/69/608243169.db2.gz KODXEVKDXAHZPJ-UHFFFAOYSA-N 1 0 381.400 1.893 20 5 GDBDRO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000826168750 608372447 /nfs/dbraw/zinc/37/24/47/608372447.db2.gz XJCCZCCQNUDSCM-AWEZNQCLSA-N 1 0 396.411 1.865 20 5 GDBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824565067 608468637 /nfs/dbraw/zinc/46/86/37/608468637.db2.gz YNJZDTRQFJMHHZ-GFCCVEGCSA-N 1 0 381.396 1.742 20 5 GDBDRO COCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124300226 644705910 /nfs/dbraw/zinc/70/59/10/644705910.db2.gz JNTNACAHKMVBFB-UHFFFAOYSA-N 1 0 379.866 1.803 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422558872 646079088 /nfs/dbraw/zinc/07/90/88/646079088.db2.gz ZWFBDFVQUKDWEC-MXWKQRLJSA-N 1 0 375.422 1.736 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(Br)c1 ZINC000462397353 647526638 /nfs/dbraw/zinc/52/66/38/647526638.db2.gz MLSGHBALTZXNAI-CYBMUJFWSA-N 1 0 390.259 1.731 20 5 GDBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1scnc1C1CC1 ZINC000487268809 647946312 /nfs/dbraw/zinc/94/63/12/647946312.db2.gz HGOMALGHTGEIEI-UHFFFAOYSA-N 1 0 382.467 1.997 20 5 GDBDRO [NH3+]C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000515416882 648495140 /nfs/dbraw/zinc/49/51/40/648495140.db2.gz PWJDWENJFITTRN-NSHDSACASA-N 1 0 375.166 1.667 20 5 GDBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000571521097 651078937 /nfs/dbraw/zinc/07/89/37/651078937.db2.gz SWKKNUHBEUZGKY-UHFFFAOYSA-N 1 0 396.205 1.137 20 5 GDBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000572504099 651098778 /nfs/dbraw/zinc/09/87/78/651098778.db2.gz ACRGJVRAXXQRCT-NSHDSACASA-N 1 0 385.218 1.506 20 5 GDBDRO [NH3+]C1(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000577507792 651733979 /nfs/dbraw/zinc/73/39/79/651733979.db2.gz VZADNAAKMGFJGN-UHFFFAOYSA-N 1 0 375.166 1.811 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000589926631 652121351 /nfs/dbraw/zinc/12/13/51/652121351.db2.gz XVQKCXRPHOXLKU-SKDRFNHKSA-N 1 0 390.259 1.682 20 5 GDBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000593731500 652244901 /nfs/dbraw/zinc/24/49/01/652244901.db2.gz YKXGGFLADCTNEM-UHFFFAOYSA-N 1 0 378.248 1.765 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000594476689 652303598 /nfs/dbraw/zinc/30/35/98/652303598.db2.gz WWTGYXWBOTUUAY-JGZJWPJOSA-N 1 0 392.275 1.976 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939330 652519223 /nfs/dbraw/zinc/51/92/23/652519223.db2.gz HJZIJZHXAOICHY-MNOVXSKESA-N 1 0 384.230 1.638 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Br)c(F)c2F)c1 ZINC000600762155 652552156 /nfs/dbraw/zinc/55/21/56/652552156.db2.gz OONPOLRGKBPPNZ-SNVBAGLBSA-N 1 0 391.172 1.983 20 5 GDBDRO Cc1cc(S(=O)(=O)NCCCCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601304136 652566863 /nfs/dbraw/zinc/56/68/63/652566863.db2.gz KOCSIZYXNXNJPF-UHFFFAOYSA-N 1 0 376.504 1.271 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000601423802 652579603 /nfs/dbraw/zinc/57/96/03/652579603.db2.gz MMTTVHLZBXJHOX-UHFFFAOYSA-N 1 0 378.248 1.539 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000602491254 652639934 /nfs/dbraw/zinc/63/99/34/652639934.db2.gz IMGGMZLIBMNZCV-NSHDSACASA-N 1 0 383.246 1.477 20 5 GDBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602574503 652641837 /nfs/dbraw/zinc/64/18/37/652641837.db2.gz ABQSQTZWRSBLTO-JTQLQIEISA-N 1 0 381.376 1.985 20 5 GDBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000700750167 654831975 /nfs/dbraw/zinc/83/19/75/654831975.db2.gz UMQOKEKAMSSIFF-WRWORJQWSA-N 1 0 375.166 1.680 20 5 GDBDRO O=c1c2c(ncn1Cc1ccc(Br)c([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000830517984 654948102 /nfs/dbraw/zinc/94/81/02/654948102.db2.gz MRJZEEXZPZYXEX-UHFFFAOYSA-N 1 0 379.214 1.651 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCN(C3CC3)C2)cc1Br ZINC000754793307 654980089 /nfs/dbraw/zinc/98/00/89/654980089.db2.gz PVQGMDVHVZSDTD-VIFPVBQESA-N 1 0 390.259 1.872 20 5 GDBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)C[NH+](C)C ZINC000831717598 654993945 /nfs/dbraw/zinc/99/39/45/654993945.db2.gz DQFRUBRJMQLDOC-SECBINFHSA-N 1 0 375.223 1.449 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000841209466 655314182 /nfs/dbraw/zinc/31/41/82/655314182.db2.gz WINWERWYYNKITL-UWVGGRQHSA-N 1 0 399.245 1.800 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000841209470 655314216 /nfs/dbraw/zinc/31/42/16/655314216.db2.gz WINWERWYYNKITL-ZJUUUORDSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841216503 655314900 /nfs/dbraw/zinc/31/49/00/655314900.db2.gz HOQOLJPABVTVDC-GZMMTYOYSA-N 1 0 385.218 1.410 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000841262621 655318261 /nfs/dbraw/zinc/31/82/61/655318261.db2.gz WXXROQLMEYEMDU-ZJUUUORDSA-N 1 0 399.245 1.848 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842480010 655366797 /nfs/dbraw/zinc/36/67/97/655366797.db2.gz MEJDSYPRGXFKFZ-DTWKUNHWSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000842744543 655374874 /nfs/dbraw/zinc/37/48/74/655374874.db2.gz STDFXQNRYDLTJH-UFBFGSQYSA-N 1 0 394.247 1.094 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000846323532 655452291 /nfs/dbraw/zinc/45/22/91/655452291.db2.gz VSIKKOSAEWXCEH-UHFFFAOYSA-N 1 0 399.245 1.849 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000858626507 655751176 /nfs/dbraw/zinc/75/11/76/655751176.db2.gz FRZYMWWACCXDIR-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000861525389 655824604 /nfs/dbraw/zinc/82/46/04/655824604.db2.gz VSMWJAUJAJEKGO-NXEZZACHSA-N 1 0 399.245 1.861 20 5 GDBDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864587675 655902735 /nfs/dbraw/zinc/90/27/35/655902735.db2.gz ITIJXOIJTKJYPI-UHFFFAOYSA-N 1 0 399.289 1.654 20 5 GDBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865584561 655922336 /nfs/dbraw/zinc/92/23/36/655922336.db2.gz WOXFVUQGZBHVKR-GFCCVEGCSA-N 1 0 386.246 1.737 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000867438696 656061374 /nfs/dbraw/zinc/06/13/74/656061374.db2.gz IEMAOVJCZYIOHC-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000882666867 657183626 /nfs/dbraw/zinc/18/36/26/657183626.db2.gz RAABXGRDEIHFGO-UHFFFAOYSA-N 1 0 380.264 1.728 20 5 GDBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(CN(C)C(C)C)c2c1C[NH2+]CC2 ZINC001164684220 719608544 /nfs/dbraw/zinc/60/85/44/719608544.db2.gz NFNLUANMEXFLQB-UHFFFAOYSA-N 1 0 388.428 1.448 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856582 720840746 /nfs/dbraw/zinc/84/07/46/720840746.db2.gz WYJAVPYKPYKXTI-QWHCGFSZSA-N 1 0 385.852 1.520 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164897107 721508662 /nfs/dbraw/zinc/50/86/62/721508662.db2.gz DPWNRUUWKDHYOC-ZFWWWQNUSA-N 1 0 389.387 1.874 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])cc2Cl)CC3)CC1 ZINC001164794808 721509039 /nfs/dbraw/zinc/50/90/39/721509039.db2.gz DFVBQGIARNDNCK-UHFFFAOYSA-N 1 0 391.863 1.607 20 5 GDBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000736842672 944897567 /nfs/dbraw/zinc/89/75/67/944897567.db2.gz SWCBCINIZQOALD-UHFFFAOYSA-N 1 0 397.443 1.572 20 5 GDBDRO O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000823635032 946458454 /nfs/dbraw/zinc/45/84/54/946458454.db2.gz PZMLNIYTJHXOAJ-KBPBESRZSA-N 1 0 376.398 1.021 20 5 GDBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826407264 948239001 /nfs/dbraw/zinc/23/90/01/948239001.db2.gz HGFDGAIWWGXVJV-UHFFFAOYSA-N 1 0 394.395 1.557 20 5 GDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000160155762 530549528 /nfs/dbraw/zinc/54/95/28/530549528.db2.gz MGORJOYJFFVZMX-LBPRGKRZSA-N 1 0 386.246 1.934 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000158948151 530537287 /nfs/dbraw/zinc/53/72/87/530537287.db2.gz BPGRWTMSJVPLCU-LBPRGKRZSA-N 1 0 377.850 1.373 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC[NH+](C)CC1 ZINC000177957983 530713744 /nfs/dbraw/zinc/71/37/44/530713744.db2.gz TXCSCYYTDHNUPC-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000178340178 530719837 /nfs/dbraw/zinc/71/98/37/530719837.db2.gz QHVIQMWCLPGBMQ-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000184681283 530830685 /nfs/dbraw/zinc/83/06/85/530830685.db2.gz NMMZFXOXDNZUDI-UHFFFAOYSA-N 1 0 387.234 1.672 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000183653016 530818576 /nfs/dbraw/zinc/81/85/76/530818576.db2.gz CWUZBOLOFOISKG-LBPRGKRZSA-N 1 0 390.893 1.471 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000106895267 530851305 /nfs/dbraw/zinc/85/13/05/530851305.db2.gz AHGYOCUTMJMFBO-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000107062617 530852530 /nfs/dbraw/zinc/85/25/30/530852530.db2.gz NAOWXZAJECLQSS-UHFFFAOYSA-N 1 0 377.182 1.833 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000187008791 530866283 /nfs/dbraw/zinc/86/62/83/530866283.db2.gz HDBAIPSDXUZGGE-LLVKDONJSA-N 1 0 375.422 1.705 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121608917 530958887 /nfs/dbraw/zinc/95/88/87/530958887.db2.gz OKPIXJJXWUSBBZ-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000122566745 530973379 /nfs/dbraw/zinc/97/33/79/530973379.db2.gz QHGRNMWAFTVBLQ-LLVKDONJSA-N 1 0 390.893 1.471 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000129576646 531052603 /nfs/dbraw/zinc/05/26/03/531052603.db2.gz VFAGTRQPLLPUHN-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO Cc1c(Br)c(N2CCC[C@@H](C(=O)NCC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000261836903 531100095 /nfs/dbraw/zinc/10/00/95/531100095.db2.gz IJRYAGQDPQVTNK-SNVBAGLBSA-N 1 0 386.250 1.352 20 5 GDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1I ZINC000262576923 531124272 /nfs/dbraw/zinc/12/42/72/531124272.db2.gz KKWAIIMFPDLLOI-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000156209012 531204344 /nfs/dbraw/zinc/20/43/44/531204344.db2.gz SVFZJCFFWKXFOI-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000157716754 531207064 /nfs/dbraw/zinc/20/70/64/531207064.db2.gz OKIKHQHXVGWISK-MRVPVSSYSA-N 1 0 375.166 1.763 20 5 GDBDRO C[NH+]1CCC(O)(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000290347848 531226823 /nfs/dbraw/zinc/22/68/23/531226823.db2.gz CCKGGCRGWUXLMG-UHFFFAOYSA-N 1 0 398.268 1.637 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000521042534 531238834 /nfs/dbraw/zinc/23/88/34/531238834.db2.gz JEXKIDAFYMSCKA-SFYZADRCSA-N 1 0 377.182 1.973 20 5 GDBDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000290965849 531268650 /nfs/dbraw/zinc/26/86/50/531268650.db2.gz CXAFDZQDLQFAAC-UHFFFAOYSA-N 1 0 399.245 1.850 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000440810493 531345009 /nfs/dbraw/zinc/34/50/09/531345009.db2.gz RFIMTWGAENVZNE-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO COCCN(CC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446186163 531407006 /nfs/dbraw/zinc/40/70/06/531407006.db2.gz FIUGRWZBUFHSEX-UHFFFAOYSA-N 1 0 388.262 1.936 20 5 GDBDRO C[C@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000415347694 531477599 /nfs/dbraw/zinc/47/75/99/531477599.db2.gz JEJRWXBMIXKFBH-UWVGGRQHSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415439206 531485806 /nfs/dbraw/zinc/48/58/06/531485806.db2.gz MQGDAKPZNOXGHG-UWVGGRQHSA-N 1 0 399.245 1.882 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415629719 531506409 /nfs/dbraw/zinc/50/64/09/531506409.db2.gz IQAPHTDEXAYAKO-PHIMTYICSA-N 1 0 397.229 1.649 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415791856 531531364 /nfs/dbraw/zinc/53/13/64/531531364.db2.gz SSFQMTPCUYJVTK-ZANVPECISA-N 1 0 397.229 1.506 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415791855 531531498 /nfs/dbraw/zinc/53/14/98/531531498.db2.gz SSFQMTPCUYJVTK-TVQRCGJNSA-N 1 0 397.229 1.506 20 5 GDBDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415892484 531549918 /nfs/dbraw/zinc/54/99/18/531549918.db2.gz LOHXIICYCSPRTC-UHFFFAOYSA-N 1 0 397.229 1.722 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415811974 531536296 /nfs/dbraw/zinc/53/62/96/531536296.db2.gz BYHTVPHSQZESDT-PELKAZGASA-N 1 0 383.202 1.116 20 5 GDBDRO CC[N@H+](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)CCC(F)(F)F ZINC000491874970 531557534 /nfs/dbraw/zinc/55/75/34/531557534.db2.gz UWMUPDFTCOLVSO-UHFFFAOYSA-N 1 0 384.380 1.928 20 5 GDBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@H]1F ZINC000595121645 531866236 /nfs/dbraw/zinc/86/62/36/531866236.db2.gz AWMWVYIOTFQGJJ-NXEZZACHSA-N 1 0 382.211 1.417 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000595118695 531867097 /nfs/dbraw/zinc/86/70/97/531867097.db2.gz SNPNDXZJRAAIKC-UHFFFAOYSA-N 1 0 390.259 1.778 20 5 GDBDRO CCO[C@@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000298246585 531868441 /nfs/dbraw/zinc/86/84/41/531868441.db2.gz CYNINNMLERYQFX-ZNMIVQPWSA-N 1 0 389.499 1.372 20 5 GDBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000595411889 531881266 /nfs/dbraw/zinc/88/12/66/531881266.db2.gz IZOVTTJIDIMCHA-NSHDSACASA-N 1 0 392.275 1.976 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000569830383 531932609 /nfs/dbraw/zinc/93/26/09/531932609.db2.gz BWCVMPYVNZVIIG-UHFFFAOYSA-N 1 0 389.499 1.709 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271029036 531956682 /nfs/dbraw/zinc/95/66/82/531956682.db2.gz GWLGEINAUINZGN-VXGBXAGGSA-N 1 0 379.891 1.914 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000599102135 532006542 /nfs/dbraw/zinc/00/65/42/532006542.db2.gz GJQOPJWAOJIOID-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO CC(C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000271341747 532005158 /nfs/dbraw/zinc/00/51/58/532005158.db2.gz WOBRQDAPLGTSBY-CYBMUJFWSA-N 1 0 390.531 1.744 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(C(F)(F)F)c1 ZINC000420454567 532017677 /nfs/dbraw/zinc/01/76/77/532017677.db2.gz WCPSXELWJCPHHU-JOYOIKCWSA-N 1 0 379.360 1.986 20 5 GDBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000420470163 532020533 /nfs/dbraw/zinc/02/05/33/532020533.db2.gz LKRDPLZZJYMJMY-UHFFFAOYSA-N 1 0 380.264 1.896 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000420479288 532021850 /nfs/dbraw/zinc/02/18/50/532021850.db2.gz MIRPWNGVEDYBIU-UWVGGRQHSA-N 1 0 392.275 1.963 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000271540475 532024269 /nfs/dbraw/zinc/02/42/69/532024269.db2.gz DBHOAIYDTTYJKT-QWHCGFSZSA-N 1 0 377.463 1.708 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000271540470 532024373 /nfs/dbraw/zinc/02/43/73/532024373.db2.gz DBHOAIYDTTYJKT-CHWSQXEVSA-N 1 0 377.463 1.708 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC[NH+]2CCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000430314684 532247263 /nfs/dbraw/zinc/24/72/63/532247263.db2.gz LBGHFZSDRRUFQF-UHFFFAOYSA-N 1 0 399.245 1.816 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274856729 532237802 /nfs/dbraw/zinc/23/78/02/532237802.db2.gz VAJPHUBVMJKJEO-JKSUJKDBSA-N 1 0 385.511 1.936 20 5 GDBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289453476 532324972 /nfs/dbraw/zinc/32/49/72/532324972.db2.gz VCBFTCPAQJNNKT-PRHODGIISA-N 1 0 389.193 1.814 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000359956354 212127726 /nfs/dbraw/zinc/12/77/26/212127726.db2.gz DWDGJETXCMKZNP-KRWDZBQOSA-N 1 0 389.456 1.338 20 5 GDBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736850702 598895782 /nfs/dbraw/zinc/89/57/82/598895782.db2.gz AAVAEZNHXJLNAV-OAHLLOKOSA-N 1 0 386.460 1.380 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000823630004 607345655 /nfs/dbraw/zinc/34/56/55/607345655.db2.gz PEWYIARQCBPTGQ-OAHLLOKOSA-N 1 0 387.444 1.856 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCCC[C@H]4C3)cc(-c3nn[nH]n3)c2c1 ZINC000738366073 599295200 /nfs/dbraw/zinc/29/52/00/599295200.db2.gz BFTNREPJVXWOJK-ZDUSSCGKSA-N 1 0 380.412 1.998 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)nc1 ZINC000823640219 599640062 /nfs/dbraw/zinc/64/00/62/599640062.db2.gz XZFPUWZSNCNUTM-CYBMUJFWSA-N 1 0 384.375 1.995 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)cc3-c3nn[nH]n3)C2)nc1 ZINC000823639560 599640081 /nfs/dbraw/zinc/64/00/81/599640081.db2.gz DRDIJAKOQOPJRU-CYBMUJFWSA-N 1 0 384.375 1.995 20 5 GDBDRO COCC[N@@H+]1CCC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821691060 606124864 /nfs/dbraw/zinc/12/48/64/606124864.db2.gz HDTQLRXGBLSLQH-LBPRGKRZSA-N 1 0 398.427 1.846 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000823620386 606712195 /nfs/dbraw/zinc/71/21/95/606712195.db2.gz KOKKTIKXYYTLEL-GOSISDBHSA-N 1 0 396.411 1.219 20 5 GDBDRO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000825976992 609490303 /nfs/dbraw/zinc/49/03/03/609490303.db2.gz VBOAWNKDTWWSCZ-HNNXBMFYSA-N 1 0 384.396 1.647 20 5 GDBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@H]1[NH+](C)C ZINC000536814898 650281595 /nfs/dbraw/zinc/28/15/95/650281595.db2.gz LMNUEDKRKOTMHV-UKRRQHHQSA-N 1 0 385.511 1.797 20 5 GDBDRO CC[C@H](CSC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539230781 650331259 /nfs/dbraw/zinc/33/12/59/650331259.db2.gz IHZHRFBUUSBGNH-GFCCVEGCSA-N 1 0 390.531 1.988 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000564083203 650747691 /nfs/dbraw/zinc/74/76/91/650747691.db2.gz CDYQRHLDTIFOOA-SNVBAGLBSA-N 1 0 389.302 1.889 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000123366627 644695025 /nfs/dbraw/zinc/69/50/25/644695025.db2.gz TUDGPXNBVDDLIZ-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000123413831 644696097 /nfs/dbraw/zinc/69/60/97/644696097.db2.gz GKTCLAPUSYXFJZ-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000237156407 645083009 /nfs/dbraw/zinc/08/30/09/645083009.db2.gz PNYCZIUDDXNTAD-JTQLQIEISA-N 1 0 378.248 1.730 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000331898051 645539413 /nfs/dbraw/zinc/53/94/13/645539413.db2.gz GKEXEKXSZIWQTO-HZPDHXFCSA-N 1 0 385.511 1.936 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1Br ZINC000368632196 645621992 /nfs/dbraw/zinc/62/19/92/645621992.db2.gz KGNNAOUGMXBABA-LBPRGKRZSA-N 1 0 390.259 1.778 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000420474076 645943882 /nfs/dbraw/zinc/94/38/82/645943882.db2.gz FBKLEQXDJGFEFU-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452388112 647322123 /nfs/dbraw/zinc/32/21/23/647322123.db2.gz IUKAUZDWXDRKBW-ZDUSSCGKSA-N 1 0 386.246 1.934 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(Br)c1 ZINC000479772876 647835886 /nfs/dbraw/zinc/83/58/86/647835886.db2.gz KEBWPXMBHOHYBX-DTORHVGOSA-N 1 0 376.232 1.197 20 5 GDBDRO CC[NH2+]CCCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000571560598 651079556 /nfs/dbraw/zinc/07/95/56/651079556.db2.gz OXORIXAULSUJIM-UHFFFAOYSA-N 1 0 377.182 1.929 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579004732 651831739 /nfs/dbraw/zinc/83/17/39/651831739.db2.gz OTMYHZCMMDOKPX-VIFPVBQESA-N 1 0 389.193 1.881 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593920054 652261835 /nfs/dbraw/zinc/26/18/35/652261835.db2.gz JUGPZWSNVWBNBY-PSASIEDQSA-N 1 0 378.248 1.858 20 5 GDBDRO C[NH2+]CCOCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599106751 652478549 /nfs/dbraw/zinc/47/85/49/652478549.db2.gz IEPUESOWPIFQGW-UHFFFAOYSA-N 1 0 385.364 1.470 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599110325 652478866 /nfs/dbraw/zinc/47/88/66/652478866.db2.gz QMPSJWJYAZPYLS-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599889318 652516692 /nfs/dbraw/zinc/51/66/92/652516692.db2.gz MFPOAYFCXPSWQA-CYBMUJFWSA-N 1 0 399.245 1.752 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939251 652519140 /nfs/dbraw/zinc/51/91/40/652519140.db2.gz UCNLNLUYSUPUIT-RYUDHWBXSA-N 1 0 384.230 1.638 20 5 GDBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574507 652641757 /nfs/dbraw/zinc/64/17/57/652641757.db2.gz AGQHQQMAFZXXQB-MRVPVSSYSA-N 1 0 398.304 1.932 20 5 GDBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602594773 652642381 /nfs/dbraw/zinc/64/23/81/652642381.db2.gz DBKHTNULYJARDK-HTQZYQBOSA-N 1 0 375.166 1.761 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768865064 654438147 /nfs/dbraw/zinc/43/81/47/654438147.db2.gz YOZMSPORSAGBLU-KGYLQXTDSA-N 1 0 375.472 1.529 20 5 GDBDRO C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000780503298 654786124 /nfs/dbraw/zinc/78/61/24/654786124.db2.gz CSIZCRDZMUIIDN-SNVBAGLBSA-N 1 0 376.255 1.288 20 5 GDBDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS(=O)(=O)CC1 ZINC000784399643 654885545 /nfs/dbraw/zinc/88/55/45/654885545.db2.gz QUWKTAHPDSLMGA-UHFFFAOYSA-N 1 0 390.845 1.848 20 5 GDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000758583251 655065886 /nfs/dbraw/zinc/06/58/86/655065886.db2.gz OXTOSIFSLBTGST-UHFFFAOYSA-N 1 0 379.866 1.885 20 5 GDBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000798165987 655255573 /nfs/dbraw/zinc/25/55/73/655255573.db2.gz VGNCTIYVINAKTR-UHFFFAOYSA-N 1 0 387.234 1.593 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOCC1 ZINC000815014253 655278093 /nfs/dbraw/zinc/27/80/93/655278093.db2.gz ZULKOYZDLDDZMW-UHFFFAOYSA-N 1 0 395.840 1.776 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000841256888 655317714 /nfs/dbraw/zinc/31/77/14/655317714.db2.gz LPAJADWPDWLNHW-MRVPVSSYSA-N 1 0 395.160 1.395 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCO1 ZINC000842485189 655368025 /nfs/dbraw/zinc/36/80/25/655368025.db2.gz PUPANBXFGCUUIB-JTQLQIEISA-N 1 0 394.247 1.096 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCC2CC[NH2+]CC2)c1 ZINC000842686527 655371160 /nfs/dbraw/zinc/37/11/60/655371160.db2.gz HGRVMUFPPIYZGK-UHFFFAOYSA-N 1 0 378.248 1.635 20 5 GDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842696431 655371685 /nfs/dbraw/zinc/37/16/85/655371685.db2.gz ZJMLKBYSCDNNOK-VIFPVBQESA-N 1 0 378.248 1.717 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1Br ZINC000842745300 655375005 /nfs/dbraw/zinc/37/50/05/655375005.db2.gz JBNJRTZXECHPHS-SNVBAGLBSA-N 1 0 390.259 1.872 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000842775308 655376322 /nfs/dbraw/zinc/37/63/22/655376322.db2.gz OIXYUTTWZZTFAB-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842787556 655377000 /nfs/dbraw/zinc/37/70/00/655377000.db2.gz QHEQAVLZIWNRBT-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842794765 655377715 /nfs/dbraw/zinc/37/77/15/655377715.db2.gz WPLUNTMEHCJRTO-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CCN1CC[NH2+]CC1 ZINC000844226779 655408732 /nfs/dbraw/zinc/40/87/32/655408732.db2.gz NTBJIKPCORYVGC-UHFFFAOYSA-N 1 0 376.866 1.082 20 5 GDBDRO C[NH+](C)CCN1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1=O ZINC000844382166 655409841 /nfs/dbraw/zinc/40/98/41/655409841.db2.gz VDJKHCGOETUGAK-UHFFFAOYSA-N 1 0 385.262 1.563 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000853116832 655632847 /nfs/dbraw/zinc/63/28/47/655632847.db2.gz MYIKWICHZNBFCN-SMDDNHRTSA-N 1 0 375.212 1.782 20 5 GDBDRO CN(CC(=O)N1CC[N@@H+]2CC[C@H]1C2)c1cc(Br)ccc1[N+](=O)[O-] ZINC000854731648 655675463 /nfs/dbraw/zinc/67/54/63/655675463.db2.gz MMIQHHJLOIQXIF-LBPRGKRZSA-N 1 0 383.246 1.710 20 5 GDBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ncc1Br ZINC000856099071 655707813 /nfs/dbraw/zinc/70/78/13/655707813.db2.gz YYBLLJAIDCDXFE-NSHDSACASA-N 1 0 399.245 1.735 20 5 GDBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000861509699 655824179 /nfs/dbraw/zinc/82/41/79/655824179.db2.gz OKESWVXAOHJICO-CYBMUJFWSA-N 1 0 399.245 1.752 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000867816550 656121053 /nfs/dbraw/zinc/12/10/53/656121053.db2.gz FIGDUAFJOSDDDQ-UHFFFAOYSA-N 1 0 388.515 1.365 20 5 GDBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000877038792 656648675 /nfs/dbraw/zinc/64/86/75/656648675.db2.gz YCPCMXDDIPEBFC-UHFFFAOYSA-N 1 0 377.413 1.991 20 5 GDBDRO C[N@H+](CCNc1cc(F)cc(Br)c1[N+](=O)[O-])CCOCCO ZINC000882950879 657259346 /nfs/dbraw/zinc/25/93/46/657259346.db2.gz DYCCIZLWEMZKOZ-UHFFFAOYSA-N 1 0 380.214 1.849 20 5 GDBDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000896458055 658780568 /nfs/dbraw/zinc/78/05/68/658780568.db2.gz MBZRBEQKFBDANQ-LBPRGKRZSA-N 1 0 380.264 1.202 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(C)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856574 720841059 /nfs/dbraw/zinc/84/10/59/720841059.db2.gz WYJAVPYKPYKXTI-CHWSQXEVSA-N 1 0 385.852 1.520 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747309 720845304 /nfs/dbraw/zinc/84/53/04/720845304.db2.gz QCZDCCPJYCAENZ-YXJHDRRASA-N 1 0 398.471 1.543 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC[C@H]2C1 ZINC001164856094 720863219 /nfs/dbraw/zinc/86/32/19/720863219.db2.gz OTWCHCHCCFBMNV-BBRMVZONSA-N 1 0 375.429 1.645 20 5 GDBDRO CCOc1nc(N2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164853562 720867015 /nfs/dbraw/zinc/86/70/15/720867015.db2.gz HJGUKPYWEUAFAM-GDBMZVCRSA-N 1 0 380.445 1.562 20 5 GDBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)n1 ZINC001164749440 720957567 /nfs/dbraw/zinc/95/75/67/720957567.db2.gz DVAYVYRVCSXYFK-UHFFFAOYSA-N 1 0 388.428 1.449 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc([N+](=O)[O-])ccn4)C3)O2)CC1 ZINC001164894572 721382447 /nfs/dbraw/zinc/38/24/47/721382447.db2.gz ZBSDDQJLPCHYSQ-PKOBYXMFSA-N 1 0 375.473 1.755 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4F)C3)O2)CC1 ZINC001164886291 721401912 /nfs/dbraw/zinc/40/19/12/721401912.db2.gz ISIVODBOCJJCBW-LPHOPBHVSA-N 1 0 393.463 1.894 20 5 GDBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC001598246691 991007989 /nfs/dbraw/zinc/00/79/89/991007989.db2.gz VSDXVNYEJRBJBS-HUUCEWRRSA-N 1 0 378.429 1.104 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1CC[NH+](CCO)CC1 ZINC000161400407 530559713 /nfs/dbraw/zinc/55/97/13/530559713.db2.gz LBXRDLANNJSUKK-UHFFFAOYSA-N 1 0 377.850 1.231 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000161395383 530559850 /nfs/dbraw/zinc/55/98/50/530559850.db2.gz AVCCFNIYLPUAMK-UHFFFAOYSA-N 1 0 391.877 1.539 20 5 GDBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)[NH+](C)C ZINC000038108647 530617704 /nfs/dbraw/zinc/61/77/04/530617704.db2.gz MJSDHLLSNBQXHH-MRVPVSSYSA-N 1 0 377.182 1.879 20 5 GDBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1I)[C@H]1CC[NH2+]C1 ZINC000179123592 530735574 /nfs/dbraw/zinc/73/55/74/530735574.db2.gz SPVSKKRRUKOZIS-VIFPVBQESA-N 1 0 375.166 1.633 20 5 GDBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000178589750 530723148 /nfs/dbraw/zinc/72/31/48/530723148.db2.gz KRRKIYRHDRCDHN-QMMMGPOBSA-N 1 0 375.166 1.620 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000186551904 530857996 /nfs/dbraw/zinc/85/79/96/530857996.db2.gz WNEAVDHGXOMLMA-NSHDSACASA-N 1 0 375.422 1.753 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000186844394 530863701 /nfs/dbraw/zinc/86/37/01/530863701.db2.gz CBRVVSSZMNJQTC-QPUJVOFHSA-N 1 0 389.193 1.927 20 5 GDBDRO C[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000120482758 530941151 /nfs/dbraw/zinc/94/11/51/530941151.db2.gz KKWZSINKPGSRFP-LLVKDONJSA-N 1 0 385.262 1.723 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@@H]2C1 ZINC000192922728 530976363 /nfs/dbraw/zinc/97/63/63/530976363.db2.gz VKOYCRBJKJTECK-AOOOYVTPSA-N 1 0 390.259 1.539 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCCN1CC[NH2+]CC1 ZINC000236567726 531037939 /nfs/dbraw/zinc/03/79/39/531037939.db2.gz IMNXKYFUUHNSIL-UHFFFAOYSA-N 1 0 385.262 1.311 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249461618 531087448 /nfs/dbraw/zinc/08/74/48/531087448.db2.gz PCCLEAMYHDOJKK-ZWNOBZJWSA-N 1 0 375.422 1.703 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262420097 531119481 /nfs/dbraw/zinc/11/94/81/531119481.db2.gz RRHLAKHCXATCBK-CQSZACIVSA-N 1 0 397.273 1.406 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([N@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000264409223 531183381 /nfs/dbraw/zinc/18/33/81/531183381.db2.gz GEIIDAWIYURNEI-UHFFFAOYSA-N 1 0 391.877 1.634 20 5 GDBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[NH2+]1 ZINC000155249130 531197912 /nfs/dbraw/zinc/19/79/12/531197912.db2.gz XIPLZPLPKUHXPX-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000156207795 531204389 /nfs/dbraw/zinc/20/43/89/531204389.db2.gz PWPWOAXTBAHUMJ-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO NS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000265061933 531225466 /nfs/dbraw/zinc/22/54/66/531225466.db2.gz SUUTUXPLOABEIA-JTQLQIEISA-N 1 0 390.849 1.187 20 5 GDBDRO CCn1cc(S(=O)(=O)N(CC[NH+](CC)CC)CC(C)C)c([N+](=O)[O-])n1 ZINC000435801487 531271575 /nfs/dbraw/zinc/27/15/75/531271575.db2.gz UOGMBOJQAQSRAI-UHFFFAOYSA-N 1 0 375.495 1.800 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000440422154 531338693 /nfs/dbraw/zinc/33/86/93/531338693.db2.gz RAFBVVKNTUAUEC-KCJUWKMLSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000292755963 531376412 /nfs/dbraw/zinc/37/64/12/531376412.db2.gz UTYSGFOHWAPHQZ-VIFPVBQESA-N 1 0 380.264 1.833 20 5 GDBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415425654 531485127 /nfs/dbraw/zinc/48/51/27/531485127.db2.gz KNLRURISKJRFDV-LLVKDONJSA-N 1 0 387.234 1.785 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415489321 531489746 /nfs/dbraw/zinc/48/97/46/531489746.db2.gz URXUPZJIHVMYMK-MNOVXSKESA-N 1 0 397.229 1.649 20 5 GDBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415685954 531513438 /nfs/dbraw/zinc/51/34/38/531513438.db2.gz HFWOPFKJVDZOOX-CQSZACIVSA-N 1 0 385.218 1.493 20 5 GDBDRO O=C([C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000581778033 531515780 /nfs/dbraw/zinc/51/57/80/531515780.db2.gz IOSXREQYEJJGMU-LLVKDONJSA-N 1 0 398.261 1.401 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415568128 531497069 /nfs/dbraw/zinc/49/70/69/531497069.db2.gz KBHOJDGAEDKLGB-VHSXEESVSA-N 1 0 399.245 1.800 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000281092457 531577385 /nfs/dbraw/zinc/57/73/85/531577385.db2.gz DHAVQXVZDXIFDF-GFCCVEGCSA-N 1 0 386.257 1.493 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000590551493 531689297 /nfs/dbraw/zinc/68/92/97/531689297.db2.gz YKUYPPWQVDOUIC-YPMHNXCESA-N 1 0 398.257 1.947 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000366318672 531736262 /nfs/dbraw/zinc/73/62/62/531736262.db2.gz FZMYCJSXCSPOEA-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000283262388 531845773 /nfs/dbraw/zinc/84/57/73/531845773.db2.gz ACOBNBZYASFMMS-GFCCVEGCSA-N 1 0 385.262 1.641 20 5 GDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000298313505 531875820 /nfs/dbraw/zinc/87/58/20/531875820.db2.gz HZBQZDVGXXATAK-RBSFLKMASA-N 1 0 389.499 1.372 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(F)F ZINC000570091381 531933862 /nfs/dbraw/zinc/93/38/62/531933862.db2.gz IWCCFASTGYYADP-IUCAKERBSA-N 1 0 376.385 1.360 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000369825784 531973804 /nfs/dbraw/zinc/97/38/04/531973804.db2.gz KVMJJOOOUQURMN-AWEZNQCLSA-N 1 0 399.249 1.448 20 5 GDBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000599102442 532006161 /nfs/dbraw/zinc/00/61/61/532006161.db2.gz MPLPRWSDZHTQOA-LBPRGKRZSA-N 1 0 392.275 1.976 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371251852 532015030 /nfs/dbraw/zinc/01/50/30/532015030.db2.gz QPKZUNNCUSYFCA-STQMWFEESA-N 1 0 388.515 1.303 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000420470930 532020338 /nfs/dbraw/zinc/02/03/38/532020338.db2.gz ONEQTPNTOBPUAN-VIFPVBQESA-N 1 0 384.241 1.640 20 5 GDBDRO C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420481097 532022253 /nfs/dbraw/zinc/02/22/53/532022253.db2.gz QENMCDHYZAURTL-ZJUUUORDSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000273086261 532133432 /nfs/dbraw/zinc/13/34/32/532133432.db2.gz IMKRYQREIXFCMD-KGLIPLIRSA-N 1 0 385.218 1.238 20 5 GDBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000288252742 532276920 /nfs/dbraw/zinc/27/69/20/532276920.db2.gz BRXCVWWGWHDOMS-UHFFFAOYSA-N 1 0 376.454 1.238 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000275452355 532295702 /nfs/dbraw/zinc/29/57/02/532295702.db2.gz IUZYZBLBAOPTGF-KGLIPLIRSA-N 1 0 389.474 1.934 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1CC ZINC000736623871 598501693 /nfs/dbraw/zinc/50/16/93/598501693.db2.gz OATWEJFSCIASRS-GFCCVEGCSA-N 1 0 376.421 1.107 20 5 GDBDRO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000820120310 599569624 /nfs/dbraw/zinc/56/96/24/599569624.db2.gz BMQMNDOXPJVEBP-INIZCTEOSA-N 1 0 386.416 1.243 20 5 GDBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000823635022 606640405 /nfs/dbraw/zinc/64/04/05/606640405.db2.gz PVHHVMYXBBHNLS-GXTWGEPZSA-N 1 0 376.398 1.021 20 5 GDBDRO CCn1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000533634792 650211510 /nfs/dbraw/zinc/21/15/10/650211510.db2.gz QFODRNKNIXCCDQ-UHFFFAOYSA-N 1 0 387.487 1.625 20 5 GDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000549572345 650578703 /nfs/dbraw/zinc/57/87/03/650578703.db2.gz RGZLVHMVXIGEJE-UHFFFAOYSA-N 1 0 380.417 1.892 20 5 GDBDRO [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000565599210 650805128 /nfs/dbraw/zinc/80/51/28/650805128.db2.gz RHXMSADLHVPPLF-UFGOTCBOSA-N 1 0 383.246 1.965 20 5 GDBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000566619066 650859544 /nfs/dbraw/zinc/85/95/44/650859544.db2.gz HOWJCWHTTYZZHY-UHFFFAOYSA-N 1 0 377.182 1.847 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000121232250 644677968 /nfs/dbraw/zinc/67/79/68/644677968.db2.gz LHRFUYYGNHXGFW-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000125114890 644712077 /nfs/dbraw/zinc/71/20/77/644712077.db2.gz RJCKXFGPHHDCJE-DTWKUNHWSA-N 1 0 378.248 1.858 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158930023 644838703 /nfs/dbraw/zinc/83/87/03/644838703.db2.gz CZLFZMZFDXGLBX-GFCCVEGCSA-N 1 0 391.877 1.682 20 5 GDBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000158994501 644839527 /nfs/dbraw/zinc/83/95/27/644839527.db2.gz IIXDUJOJYKIRNK-UHFFFAOYSA-N 1 0 391.877 1.682 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236616365 645080417 /nfs/dbraw/zinc/08/04/17/645080417.db2.gz GEIQGIAEBQZQCJ-VIFPVBQESA-N 1 0 378.248 1.635 20 5 GDBDRO COC[C@@]1(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CCC[NH2+]1 ZINC000262217611 645125581 /nfs/dbraw/zinc/12/55/81/645125581.db2.gz FJUNQFWUQDGJOH-AWEZNQCLSA-N 1 0 377.850 1.604 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]1C ZINC000262803082 645139535 /nfs/dbraw/zinc/13/95/35/645139535.db2.gz VZNZWFAKMOWQGT-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])cc1F ZINC000330615278 645383850 /nfs/dbraw/zinc/38/38/50/645383850.db2.gz UHUJRENWKNVBGX-QWHCGFSZSA-N 1 0 375.422 1.693 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000370728810 645700852 /nfs/dbraw/zinc/70/08/52/645700852.db2.gz DJBDLGVCGDKNGV-IUCAKERBSA-N 1 0 382.211 1.336 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000423555326 646129491 /nfs/dbraw/zinc/12/94/91/646129491.db2.gz IZQMBKZNKJYPJD-UHFFFAOYSA-N 1 0 397.229 1.650 20 5 GDBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]2[NH3+])cn1 ZINC000424229038 646167146 /nfs/dbraw/zinc/16/71/46/646167146.db2.gz VVWKCUQSUKRYGA-GXTWGEPZSA-N 1 0 394.229 1.658 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440449234 646244186 /nfs/dbraw/zinc/24/41/86/646244186.db2.gz ZAOTYDBAMMPDPS-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)CCC(F)(F)F ZINC000491590796 647996707 /nfs/dbraw/zinc/99/67/07/647996707.db2.gz DUELDSKUCKPNSW-UHFFFAOYSA-N 1 0 384.380 1.928 20 5 GDBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Br)cc1 ZINC000518965485 648616446 /nfs/dbraw/zinc/61/64/46/648616446.db2.gz OKWMWBWPOCHNTC-SMDDNHRTSA-N 1 0 399.245 1.972 20 5 GDBDRO CS(=O)(=O)CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000580185283 651902243 /nfs/dbraw/zinc/90/22/43/651902243.db2.gz DRYDLUANCUWUTG-UHFFFAOYSA-N 1 0 390.483 1.173 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000591292433 652159304 /nfs/dbraw/zinc/15/93/04/652159304.db2.gz OLFMZCHOVDVNOO-NSHDSACASA-N 1 0 399.245 1.863 20 5 GDBDRO [NH3+][C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC[C@H]1F ZINC000595261174 652400729 /nfs/dbraw/zinc/40/07/29/652400729.db2.gz UMQOVKDZYDGNHI-MWLCHTKSSA-N 1 0 393.156 1.711 20 5 GDBDRO CN(CCOCC[NH3+])C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602560295 652641580 /nfs/dbraw/zinc/64/15/80/652641580.db2.gz RGJJDIFUYKHRPP-UHFFFAOYSA-N 1 0 393.181 1.247 20 5 GDBDRO C[C@@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602595785 652642674 /nfs/dbraw/zinc/64/26/74/652642674.db2.gz YSVZIQNLMQPCPW-PSASIEDQSA-N 1 0 389.193 1.866 20 5 GDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000701031467 654832236 /nfs/dbraw/zinc/83/22/36/654832236.db2.gz SCBZMVXAYHBLNZ-CPCISQLKSA-N 1 0 375.166 1.761 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000702652432 654832554 /nfs/dbraw/zinc/83/25/54/654832554.db2.gz ZTURFZWNVUQTAX-JGVFFNPUSA-N 1 0 375.166 1.761 20 5 GDBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cccc([N+](=O)[O-])c1Br ZINC000830436437 654945311 /nfs/dbraw/zinc/94/53/11/654945311.db2.gz ZCENKAWPYOOFFP-UHFFFAOYSA-N 1 0 383.202 1.531 20 5 GDBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810369459 655157132 /nfs/dbraw/zinc/15/71/32/655157132.db2.gz SFKZSTLJLQIQAS-JTQLQIEISA-N 1 0 399.245 1.896 20 5 GDBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000762715377 655174947 /nfs/dbraw/zinc/17/49/47/655174947.db2.gz FCEMJLJJFMDJDH-CYBMUJFWSA-N 1 0 376.182 1.293 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798168279 655255628 /nfs/dbraw/zinc/25/56/28/655255628.db2.gz DVISQTSBZIJAQT-SNVBAGLBSA-N 1 0 386.250 1.118 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000798173941 655255905 /nfs/dbraw/zinc/25/59/05/655255905.db2.gz KVXYVIFSKBMAGX-LLVKDONJSA-N 1 0 399.245 1.547 20 5 GDBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798293808 655261063 /nfs/dbraw/zinc/26/10/63/655261063.db2.gz BPKGNJLMNMPPGL-UHFFFAOYSA-N 1 0 375.223 1.450 20 5 GDBDRO C[NH+]1CCN(C[C@H](O)COc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000840761057 655296247 /nfs/dbraw/zinc/29/62/47/655296247.db2.gz OSTPRKWQIFTSMI-JTQLQIEISA-N 1 0 392.225 1.484 20 5 GDBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000841529317 655338727 /nfs/dbraw/zinc/33/87/27/655338727.db2.gz HJRITQCHKJYCMZ-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000817402467 655351649 /nfs/dbraw/zinc/35/16/49/655351649.db2.gz UKVKRSYBYUSWIE-LLVKDONJSA-N 1 0 399.245 1.848 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000842482253 655367305 /nfs/dbraw/zinc/36/73/05/655367305.db2.gz YDBRPFWVMUDJHN-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000842726402 655373916 /nfs/dbraw/zinc/37/39/16/655373916.db2.gz FVNGQXKSBHFIEO-PSASIEDQSA-N 1 0 378.248 1.715 20 5 GDBDRO COC[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CCC[NH2+]1 ZINC000842859632 655381385 /nfs/dbraw/zinc/38/13/85/655381385.db2.gz QMUFEFSPVJRTAF-CQSZACIVSA-N 1 0 377.850 1.604 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCO1 ZINC000843356972 655393584 /nfs/dbraw/zinc/39/35/84/655393584.db2.gz LISKMLDOMNTUJJ-CPCISQLKSA-N 1 0 376.182 1.685 20 5 GDBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000846234579 655450397 /nfs/dbraw/zinc/45/03/97/655450397.db2.gz HWQHZKXZVDZQIM-GRYCIOLGSA-N 1 0 375.472 1.706 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000846234581 655450426 /nfs/dbraw/zinc/45/04/26/655450426.db2.gz HWQHZKXZVDZQIM-UTUOFQBUSA-N 1 0 375.472 1.706 20 5 GDBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)cn1 ZINC000846559130 655456420 /nfs/dbraw/zinc/45/64/20/655456420.db2.gz SZDXMIHASFIFAV-UHFFFAOYSA-N 1 0 383.206 1.763 20 5 GDBDRO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000849430087 655533966 /nfs/dbraw/zinc/53/39/66/655533966.db2.gz ZMCOOOQOOYWQBZ-UHFFFAOYSA-N 1 0 396.872 1.549 20 5 GDBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000850591132 655559469 /nfs/dbraw/zinc/55/94/69/655559469.db2.gz LDTDVRXIECCRRP-UHFFFAOYSA-N 1 0 376.232 1.469 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000850854329 655570211 /nfs/dbraw/zinc/57/02/11/655570211.db2.gz KRVVNHOHGKLJLF-UHFFFAOYSA-N 1 0 397.229 1.472 20 5 GDBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000851879779 655601927 /nfs/dbraw/zinc/60/19/27/655601927.db2.gz MREHQLVTRZBLMP-LBPRGKRZSA-N 1 0 389.499 1.920 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000851885927 655602424 /nfs/dbraw/zinc/60/24/24/655602424.db2.gz NWUVLDXYMQKCIO-LBPRGKRZSA-N 1 0 375.422 1.465 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC000857236442 655731706 /nfs/dbraw/zinc/73/17/06/655731706.db2.gz YWECQWWBDOAXNA-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000858633069 655751664 /nfs/dbraw/zinc/75/16/64/655751664.db2.gz ZLYZBRXGBKAFAE-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO [NH3+]CCCOCCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000858632776 655751665 /nfs/dbraw/zinc/75/16/65/655751665.db2.gz WFFHNQORIOUCJM-UHFFFAOYSA-N 1 0 382.236 1.001 20 5 GDBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000869775684 656207041 /nfs/dbraw/zinc/20/70/41/656207041.db2.gz QMSGJLNQTUDNLB-JTQLQIEISA-N 1 0 386.246 1.932 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000871814771 656283098 /nfs/dbraw/zinc/28/30/98/656283098.db2.gz HIUWCDCQYKWGBP-TVQRCGJNSA-N 1 0 390.259 1.587 20 5 GDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000889719610 658022515 /nfs/dbraw/zinc/02/25/15/658022515.db2.gz VGHJBCUZLXAHOM-QWHCGFSZSA-N 1 0 399.245 1.318 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756844 658034002 /nfs/dbraw/zinc/03/40/02/658034002.db2.gz RCZZOZKVXSKLQB-QWHCGFSZSA-N 1 0 399.245 1.424 20 5 GDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896540614 658787120 /nfs/dbraw/zinc/78/71/20/658787120.db2.gz GFNIPWPSVURRDC-CABZTGNLSA-N 1 0 386.250 1.116 20 5 GDBDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2 ZINC001164684661 719728160 /nfs/dbraw/zinc/72/81/60/719728160.db2.gz JGWUQYHQYCIYIJ-UHFFFAOYSA-N 1 0 383.836 1.062 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001164829741 720335257 /nfs/dbraw/zinc/33/52/57/720335257.db2.gz NCYYOZVQNCERPN-IRXDYDNUSA-N 1 0 388.472 1.484 20 5 GDBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743017 720616034 /nfs/dbraw/zinc/61/60/34/720616034.db2.gz NZCOOOVXDWAFOM-NEPJUHHUSA-N 1 0 376.804 1.775 20 5 GDBDRO COc1cc(C)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164741986 720686533 /nfs/dbraw/zinc/68/65/33/720686533.db2.gz VCIZTXQREQZPCD-KBPBESRZSA-N 1 0 386.412 1.439 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164747137 720726265 /nfs/dbraw/zinc/72/62/65/720726265.db2.gz ZZJCWRMZRHDNQV-QWHCGFSZSA-N 1 0 392.803 1.014 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856855 720858472 /nfs/dbraw/zinc/85/84/72/720858472.db2.gz PQIXGLLFHFDWEV-GXTWGEPZSA-N 1 0 386.836 1.055 20 5 GDBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164878244 721262473 /nfs/dbraw/zinc/26/24/73/721262473.db2.gz TVQMQPOBVRIKNK-UHFFFAOYSA-N 1 0 391.472 1.305 20 5 GDBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966575 722073394 /nfs/dbraw/zinc/07/33/94/722073394.db2.gz CBMDFUSFUQDJKH-GASCZTMLSA-N 1 0 376.413 1.466 20 5 GDBDRO Nc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164976577 722126324 /nfs/dbraw/zinc/12/63/24/722126324.db2.gz LVEYSRJHEFXDCQ-WBVHZDCISA-N 1 0 384.440 1.694 20 5 GDBDRO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736842425 944899017 /nfs/dbraw/zinc/89/90/17/944899017.db2.gz RHHLPOVZXYKVGE-UHFFFAOYSA-N 1 0 397.443 1.572 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC000159004146 530538339 /nfs/dbraw/zinc/53/83/39/530538339.db2.gz MBLRZNMPJTXXML-UHFFFAOYSA-N 1 0 377.850 1.373 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000161726950 530563333 /nfs/dbraw/zinc/56/33/33/530563333.db2.gz WHHMAOALPZCCPS-CYBMUJFWSA-N 1 0 391.877 1.763 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000172207447 530609883 /nfs/dbraw/zinc/60/98/83/530609883.db2.gz PLAUZEPMPRMXIA-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000173766183 530636593 /nfs/dbraw/zinc/63/65/93/530636593.db2.gz LGODPTOEBGMKKS-VIFPVBQESA-N 1 0 376.257 1.969 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177263799 530699999 /nfs/dbraw/zinc/69/99/99/530699999.db2.gz NXNIGFCISPYIOT-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000186826940 530863361 /nfs/dbraw/zinc/86/33/61/530863361.db2.gz HVXFHFBJYDXAKA-UHFFFAOYSA-N 1 0 375.422 1.753 20 5 GDBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186979067 530865590 /nfs/dbraw/zinc/86/55/90/530865590.db2.gz HDUKIYWLGUNZJS-LLVKDONJSA-N 1 0 375.422 1.895 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000117923735 530914964 /nfs/dbraw/zinc/91/49/64/530914964.db2.gz KIVNFSDSJINHES-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000193414388 530986226 /nfs/dbraw/zinc/98/62/26/530986226.db2.gz VZAKUQHDEYTVOF-QPUJVOFHSA-N 1 0 392.275 1.942 20 5 GDBDRO CC[NH+](CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000195171029 531016904 /nfs/dbraw/zinc/01/69/04/531016904.db2.gz DCIZUHVZRHQGQX-GFCCVEGCSA-N 1 0 389.499 1.627 20 5 GDBDRO Cc1sc(S(=O)(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000125059214 531002551 /nfs/dbraw/zinc/00/25/51/531002551.db2.gz JYTLYMMJUJYIMP-UHFFFAOYSA-N 1 0 376.504 1.269 20 5 GDBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000130627888 531063020 /nfs/dbraw/zinc/06/30/20/531063020.db2.gz UQQUNUXTIVKWCJ-CYBMUJFWSA-N 1 0 384.278 1.969 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237725526 531049495 /nfs/dbraw/zinc/04/94/95/531049495.db2.gz QWMSEFIQGGOGAS-SNVBAGLBSA-N 1 0 392.275 1.944 20 5 GDBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000237964240 531053571 /nfs/dbraw/zinc/05/35/71/531053571.db2.gz ZMWAJFKLVJIXEG-VIFPVBQESA-N 1 0 375.166 1.763 20 5 GDBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261996661 531105003 /nfs/dbraw/zinc/10/50/03/531105003.db2.gz FQQZQNFBAXZJFP-GFCCVEGCSA-N 1 0 383.246 1.477 20 5 GDBDRO O=C(NC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1I ZINC000262514988 531123323 /nfs/dbraw/zinc/12/33/23/531123323.db2.gz RIEPYKVPJGGHJR-UHFFFAOYSA-N 1 0 375.166 1.681 20 5 GDBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000264037608 531165994 /nfs/dbraw/zinc/16/59/94/531165994.db2.gz AZGDBVXGMMWFAV-ZDUSSCGKSA-N 1 0 396.245 1.973 20 5 GDBDRO COCCN(CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000156337256 531204727 /nfs/dbraw/zinc/20/47/27/531204727.db2.gz TVQVTOPHOJOVCT-UHFFFAOYSA-N 1 0 376.207 1.237 20 5 GDBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000519765335 531218967 /nfs/dbraw/zinc/21/89/67/531218967.db2.gz VTLHFNCSLQNVII-CPCISQLKSA-N 1 0 375.166 1.761 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000265163286 531231153 /nfs/dbraw/zinc/23/11/53/531231153.db2.gz WSHHYPUSFHLXLJ-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000290526419 531239285 /nfs/dbraw/zinc/23/92/85/531239285.db2.gz CDGHDDJADMANAF-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290653339 531247584 /nfs/dbraw/zinc/24/75/84/531247584.db2.gz BYJWZAXTJJOSNT-UHFFFAOYSA-N 1 0 387.234 1.754 20 5 GDBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000290754019 531253791 /nfs/dbraw/zinc/25/37/91/531253791.db2.gz JVFFYQUJLCOXRL-VIFPVBQESA-N 1 0 385.218 1.364 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000277285820 531270890 /nfs/dbraw/zinc/27/08/90/531270890.db2.gz ZDXGERBGTXMIGF-UHFFFAOYSA-N 1 0 378.401 1.644 20 5 GDBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000413820419 531418440 /nfs/dbraw/zinc/41/84/40/531418440.db2.gz QPWPOOYMALCHIL-CYBMUJFWSA-N 1 0 386.246 1.934 20 5 GDBDRO O=C1C[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CN1 ZINC000414487431 531458204 /nfs/dbraw/zinc/45/82/04/531458204.db2.gz SELUTDYFOXXMLQ-SECBINFHSA-N 1 0 375.166 1.425 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415352015 531477645 /nfs/dbraw/zinc/47/76/45/531477645.db2.gz JILFSJZTUIRFQB-SECBINFHSA-N 1 0 385.218 1.411 20 5 GDBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000415436909 531485836 /nfs/dbraw/zinc/48/58/36/531485836.db2.gz KBSWKBZJWCPHQO-UFBFGSQYSA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415439212 531486268 /nfs/dbraw/zinc/48/62/68/531486268.db2.gz MQGDAKPZNOXGHG-ZJUUUORDSA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415555708 531494805 /nfs/dbraw/zinc/49/48/05/531494805.db2.gz CBZXZMXOLOHNOS-RKDXNWHRSA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000294787716 531497426 /nfs/dbraw/zinc/49/74/26/531497426.db2.gz ZSXQTTQNINKIRX-QMTHXVAHSA-N 1 0 386.246 1.884 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000490049250 531519089 /nfs/dbraw/zinc/51/90/89/531519089.db2.gz YKDYWCJLIFDMPT-VIFPVBQESA-N 1 0 380.264 1.833 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000415786086 531530090 /nfs/dbraw/zinc/53/00/90/531530090.db2.gz IXTWGFKKZMIKRT-SECBINFHSA-N 1 0 395.160 1.395 20 5 GDBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415800912 531534153 /nfs/dbraw/zinc/53/41/53/531534153.db2.gz DYLADLJDXXJIBI-GXSJLCMTSA-N 1 0 399.245 1.930 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000364343447 531555728 /nfs/dbraw/zinc/55/57/28/531555728.db2.gz YKBOKHMHTIOJHI-NWDGAFQWSA-N 1 0 389.861 1.698 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000590282192 531688527 /nfs/dbraw/zinc/68/85/27/531688527.db2.gz STMJHRYVXIKIGW-ZANVPECISA-N 1 0 397.229 1.458 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619490143 531708407 /nfs/dbraw/zinc/70/84/07/531708407.db2.gz YYCBYEDTNISUSD-LBPRGKRZSA-N 1 0 375.447 1.239 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000591683977 531736128 /nfs/dbraw/zinc/73/61/28/531736128.db2.gz GMKWKGZWQCYONO-PRHODGIISA-N 1 0 389.193 1.927 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366508387 531752963 /nfs/dbraw/zinc/75/29/63/531752963.db2.gz OOXIYYZNKUXART-OCCSQVGLSA-N 1 0 384.230 1.950 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000596052545 531906182 /nfs/dbraw/zinc/90/61/82/531906182.db2.gz UOKAFPXYPFYXKN-SECBINFHSA-N 1 0 375.300 1.253 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000596361091 531917930 /nfs/dbraw/zinc/91/79/30/531917930.db2.gz PIPXLZHLWPSZGO-NSHDSACASA-N 1 0 378.520 1.744 20 5 GDBDRO Cc1c(Br)c(N(CC[NH+](C)C)CC(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000596461740 531921347 /nfs/dbraw/zinc/92/13/47/531921347.db2.gz JEYSMEFLFBKHOE-UHFFFAOYSA-N 1 0 388.266 1.517 20 5 GDBDRO CN1CCOC[C@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000599002842 532002311 /nfs/dbraw/zinc/00/23/11/532002311.db2.gz CHQPXLOBQRXLLT-CYBMUJFWSA-N 1 0 391.209 1.620 20 5 GDBDRO CC(C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000271341748 532004791 /nfs/dbraw/zinc/00/47/91/532004791.db2.gz WOBRQDAPLGTSBY-ZDUSSCGKSA-N 1 0 390.531 1.744 20 5 GDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599106102 532006617 /nfs/dbraw/zinc/00/66/17/532006617.db2.gz RUDKHLHIHUGPPX-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599705135 532038677 /nfs/dbraw/zinc/03/86/77/532038677.db2.gz CMOSQYAJPBESGL-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000272964432 532125620 /nfs/dbraw/zinc/12/56/20/532125620.db2.gz NAMBCSODQAZQEV-HNNXBMFYSA-N 1 0 386.861 1.740 20 5 GDBDRO CCn1cc(S(=O)(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000331603549 532151302 /nfs/dbraw/zinc/15/13/02/532151302.db2.gz PIQPPEYGBGVRGK-NWDGAFQWSA-N 1 0 389.503 1.012 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000274052292 532182391 /nfs/dbraw/zinc/18/23/91/532182391.db2.gz YZONLPWTPFAMDI-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO C[C@@H](O)c1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000289324370 532321440 /nfs/dbraw/zinc/32/14/40/532321440.db2.gz UDLOWDGSNNCNJB-SNVBAGLBSA-N 1 0 386.455 1.173 20 5 GDBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)c1 ZINC000737437999 598671930 /nfs/dbraw/zinc/67/19/30/598671930.db2.gz XBHUQSAHDSUAMI-LBPRGKRZSA-N 1 0 381.400 1.812 20 5 GDBDRO C[NH+](C)CCOc1ccccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821587202 606704465 /nfs/dbraw/zinc/70/44/65/606704465.db2.gz LJDCCAONGXXZDT-UHFFFAOYSA-N 1 0 384.400 1.722 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000565363690 650793602 /nfs/dbraw/zinc/79/36/02/650793602.db2.gz OWHDTSXUDXQEDK-HIFRSBDPSA-N 1 0 389.861 1.765 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000108406793 644619294 /nfs/dbraw/zinc/61/92/94/644619294.db2.gz ZDAFNGCRZKZYAR-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000123804061 644699421 /nfs/dbraw/zinc/69/94/21/644699421.db2.gz XTDZEVIXWGSJEQ-UHFFFAOYSA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193458346 645052115 /nfs/dbraw/zinc/05/21/15/645052115.db2.gz DFFFPXLLXVGROU-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000261854929 645118201 /nfs/dbraw/zinc/11/82/01/645118201.db2.gz RUISIAKHWZHGCM-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000330599410 645381176 /nfs/dbraw/zinc/38/11/76/645381176.db2.gz XLRWJUBAMAMCRL-NEPJUHHUSA-N 1 0 379.891 1.914 20 5 GDBDRO C[N@@H+]1CCC[C@H](N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)C1 ZINC000371311363 645734045 /nfs/dbraw/zinc/73/40/45/645734045.db2.gz VPMPXFWPMSUDAD-LBPRGKRZSA-N 1 0 384.278 1.969 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000440446895 646244140 /nfs/dbraw/zinc/24/41/40/646244140.db2.gz VDLKOYIBQIVNAB-UFBFGSQYSA-N 1 0 378.248 1.715 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461897834 647503067 /nfs/dbraw/zinc/50/30/67/647503067.db2.gz CITVWKSFVRFETG-LLVKDONJSA-N 1 0 378.248 1.715 20 5 GDBDRO Cc1sc(S(=O)(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467084890 647631396 /nfs/dbraw/zinc/63/13/96/647631396.db2.gz JUDBMCGHFZCVPJ-OUCADQQQSA-N 1 0 389.499 1.837 20 5 GDBDRO CN(C)S(=O)(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000477097686 647794113 /nfs/dbraw/zinc/79/41/13/647794113.db2.gz FTKPWTMSJDFPCV-OAHLLOKOSA-N 1 0 388.515 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(Br)c1 ZINC000578867149 651820520 /nfs/dbraw/zinc/82/05/20/651820520.db2.gz JKKXSXFWBLXFIN-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593617162 652224971 /nfs/dbraw/zinc/22/49/71/652224971.db2.gz YDUREIWKSZESCW-UHFFFAOYSA-N 1 0 377.438 1.999 20 5 GDBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000595237847 652399858 /nfs/dbraw/zinc/39/98/58/652399858.db2.gz CTEFHQWBSSXAEE-UHFFFAOYSA-N 1 0 385.218 1.684 20 5 GDBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1c(Br)cccc1[N+](=O)[O-] ZINC000599977028 652520311 /nfs/dbraw/zinc/52/03/11/652520311.db2.gz GJACHFALNNYAEG-NSHDSACASA-N 1 0 386.246 1.934 20 5 GDBDRO C[NH2+]CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602562989 652641421 /nfs/dbraw/zinc/64/14/21/652641421.db2.gz JIMKFELYNQAZTB-UHFFFAOYSA-N 1 0 393.181 1.165 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000784640116 654893240 /nfs/dbraw/zinc/89/32/40/654893240.db2.gz LJTNSAHONFALDJ-VIFPVBQESA-N 1 0 387.234 1.671 20 5 GDBDRO Cc1ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1Br ZINC000804341959 654992795 /nfs/dbraw/zinc/99/27/95/654992795.db2.gz RKRBDQIAFCTBBO-UHFFFAOYSA-N 1 0 385.262 1.876 20 5 GDBDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000810370412 655157167 /nfs/dbraw/zinc/15/71/67/655157167.db2.gz WMUKMIILYPAIRZ-MWLCHTKSSA-N 1 0 399.245 1.895 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000841157293 655311011 /nfs/dbraw/zinc/31/10/11/655311011.db2.gz DHIVMTPJLLMPNM-SNVBAGLBSA-N 1 0 399.245 1.720 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000841180300 655312352 /nfs/dbraw/zinc/31/23/52/655312352.db2.gz XEFZLQKJCXYGMN-KCJUWKMLSA-N 1 0 385.218 1.492 20 5 GDBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842000336 655355045 /nfs/dbraw/zinc/35/50/45/655355045.db2.gz WWRXGJFIDYLOOF-MSRIBSCDSA-N 1 0 381.230 1.643 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817861326 655360911 /nfs/dbraw/zinc/36/09/11/655360911.db2.gz BIGJWDHULFPYCQ-UHFFFAOYSA-N 1 0 390.259 1.874 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842479923 655366786 /nfs/dbraw/zinc/36/67/86/655366786.db2.gz JHUKVSNQEJNLDD-IUCAKERBSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1Br ZINC000842765130 655375617 /nfs/dbraw/zinc/37/56/17/655375617.db2.gz JQLSDCPVYGCHNX-CYBMUJFWSA-N 1 0 390.259 1.731 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000842789362 655377134 /nfs/dbraw/zinc/37/71/34/655377134.db2.gz UCJNNGKAUVKGNW-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842815615 655378893 /nfs/dbraw/zinc/37/88/93/655378893.db2.gz SRHIYJSWPSSJHN-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C ZINC000842836328 655380443 /nfs/dbraw/zinc/38/04/43/655380443.db2.gz RBAAEVISBIACEJ-RKDXNWHRSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842847981 655380705 /nfs/dbraw/zinc/38/07/05/655380705.db2.gz NVZGDUQASWACII-LBPRGKRZSA-N 1 0 378.248 1.717 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)c1 ZINC000843076182 655388007 /nfs/dbraw/zinc/38/80/07/655388007.db2.gz RNJCAVJFEQGNFU-RISCZKNCSA-N 1 0 375.212 1.782 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)ccc1Br ZINC000850592010 655559620 /nfs/dbraw/zinc/55/96/20/655559620.db2.gz DWJDHLNGYXNAIG-UHFFFAOYSA-N 1 0 376.232 1.388 20 5 GDBDRO CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000850683471 655564374 /nfs/dbraw/zinc/56/43/74/655564374.db2.gz PJQNIOUJQZHLJY-LLVKDONJSA-N 1 0 399.245 1.896 20 5 GDBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000850741465 655567624 /nfs/dbraw/zinc/56/76/24/655567624.db2.gz PWYDIQYWBWSSSS-SSDOTTSWSA-N 1 0 378.170 1.929 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000858622924 655750852 /nfs/dbraw/zinc/75/08/52/655750852.db2.gz LKBWMSCGMGXFJE-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861512158 655824172 /nfs/dbraw/zinc/82/41/72/655824172.db2.gz BKWHEECKHDFNSZ-GFCCVEGCSA-N 1 0 397.229 1.697 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000865059139 655911135 /nfs/dbraw/zinc/91/11/35/655911135.db2.gz LAVHHIQHEMYDMB-QWHCGFSZSA-N 1 0 398.257 1.879 20 5 GDBDRO C[NH+]1CCN(CCCS(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000866961633 655982108 /nfs/dbraw/zinc/98/21/08/655982108.db2.gz BMFWIKYLMJMPPW-UHFFFAOYSA-N 1 0 377.850 1.594 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000867026259 655988629 /nfs/dbraw/zinc/98/86/29/655988629.db2.gz UUKCDRVDQVBFBC-OLZOCXBDSA-N 1 0 377.463 1.708 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[NH+]1CCC(O)CC1 ZINC000868757841 656167916 /nfs/dbraw/zinc/16/79/16/656167916.db2.gz FPNVCOYSAYMYJU-UHFFFAOYSA-N 1 0 386.246 1.473 20 5 GDBDRO COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905428461 659452578 /nfs/dbraw/zinc/45/25/78/659452578.db2.gz UBIKTLRSCYORPF-GXFFZTMASA-N 1 0 377.235 1.859 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2sccc2Br)c1 ZINC000905427269 659452641 /nfs/dbraw/zinc/45/26/41/659452641.db2.gz MIPQOWQTGOOPAS-JTQLQIEISA-N 1 0 375.248 1.809 20 5 GDBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164736843 720682948 /nfs/dbraw/zinc/68/29/48/720682948.db2.gz BNOLYXARKHGXJF-HUUCEWRRSA-N 1 0 393.407 1.670 20 5 GDBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164737535 720735015 /nfs/dbraw/zinc/73/50/15/720735015.db2.gz CGCHQVPYDJAVPY-OLZOCXBDSA-N 1 0 381.396 1.603 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cnc4ccc([N+](=O)[O-])cc4n3)CC[C@H]2C1 ZINC001164851380 720838866 /nfs/dbraw/zinc/83/88/66/720838866.db2.gz GVBKADZZENQYDA-KBXCAEBGSA-N 1 0 387.440 1.712 20 5 GDBDRO COc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871372 721042838 /nfs/dbraw/zinc/04/28/38/721042838.db2.gz YKBWYFVVDNUDDA-CABCVRRESA-N 1 0 386.412 1.268 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772195 721076436 /nfs/dbraw/zinc/07/64/36/721076436.db2.gz USLFTKVNDDOETN-OLZOCXBDSA-N 1 0 377.836 1.730 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161409769 530559770 /nfs/dbraw/zinc/55/97/70/530559770.db2.gz UWJIJWSAFYFXTR-GFCCVEGCSA-N 1 0 385.364 1.205 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000161718304 530563157 /nfs/dbraw/zinc/56/31/57/530563157.db2.gz OGWFXVFPXQITEP-LBPRGKRZSA-N 1 0 391.877 1.763 20 5 GDBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000178589741 530723164 /nfs/dbraw/zinc/72/31/64/530723164.db2.gz KRRKIYRHDRCDHN-MRVPVSSYSA-N 1 0 375.166 1.620 20 5 GDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@H]1CC[NH2+]C1 ZINC000179047793 530733993 /nfs/dbraw/zinc/73/39/93/530733993.db2.gz IHQAMEZRHXOMFB-VIFPVBQESA-N 1 0 375.166 1.633 20 5 GDBDRO CC[NH+]1CCN(CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181454052 530783747 /nfs/dbraw/zinc/78/37/47/530783747.db2.gz HBZVCKDVBAERMC-UHFFFAOYSA-N 1 0 376.504 1.499 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000189132469 530908278 /nfs/dbraw/zinc/90/82/78/530908278.db2.gz CIEIGMHMXQHDJL-UHFFFAOYSA-N 1 0 375.422 1.847 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000188217496 530889623 /nfs/dbraw/zinc/88/96/23/530889623.db2.gz FVKKTFVCMJNIMT-LLVKDONJSA-N 1 0 375.422 1.895 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000114211133 530893027 /nfs/dbraw/zinc/89/30/27/530893027.db2.gz WNYDUHUQZQBRQF-UHFFFAOYSA-N 1 0 377.850 1.637 20 5 GDBDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000190908723 530939847 /nfs/dbraw/zinc/93/98/47/530939847.db2.gz GEEAPBVQIYMSRH-GFCCVEGCSA-N 1 0 390.893 1.553 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237536046 531047820 /nfs/dbraw/zinc/04/78/20/531047820.db2.gz IYEDLIMJNPSLEB-WPRPVWTQSA-N 1 0 378.248 1.858 20 5 GDBDRO [NH3+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1I)C1CC1 ZINC000238025412 531054164 /nfs/dbraw/zinc/05/41/64/531054164.db2.gz SBRFZDMHQRDALO-NSHDSACASA-N 1 0 375.166 1.667 20 5 GDBDRO COc1c(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000262741528 531128507 /nfs/dbraw/zinc/12/85/07/531128507.db2.gz CIRHNPGYHAYCBP-MRVPVSSYSA-N 1 0 394.247 1.315 20 5 GDBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290702426 531250895 /nfs/dbraw/zinc/25/08/95/531250895.db2.gz GBADBMAGYDPOPN-NSHDSACASA-N 1 0 399.245 1.896 20 5 GDBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000290821592 531257702 /nfs/dbraw/zinc/25/77/02/531257702.db2.gz ORSICGVOTUTUFQ-VIFPVBQESA-N 1 0 399.245 1.895 20 5 GDBDRO [NH3+]CC1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000440356433 531334511 /nfs/dbraw/zinc/33/45/11/531334511.db2.gz JXIDVAXUSKGVRM-UHFFFAOYSA-N 1 0 378.248 1.717 20 5 GDBDRO COc1c(S(=O)(=O)N[C@H](C)CC[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000440864154 531349297 /nfs/dbraw/zinc/34/92/97/531349297.db2.gz REJRTOQYCPIMEO-SSDOTTSWSA-N 1 0 396.263 1.690 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447242704 531421261 /nfs/dbraw/zinc/42/12/61/531421261.db2.gz DFPHSYMKKGSFRX-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[NH+](C)CCSc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000447654778 531431729 /nfs/dbraw/zinc/43/17/29/531431729.db2.gz TXVBWIPRKVTBSP-UHFFFAOYSA-N 1 0 375.472 1.269 20 5 GDBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(=O)NC ZINC000449773251 531475825 /nfs/dbraw/zinc/47/58/25/531475825.db2.gz JRNYMAKYHIWYGG-LLVKDONJSA-N 1 0 377.182 1.814 20 5 GDBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449602964 531472853 /nfs/dbraw/zinc/47/28/53/531472853.db2.gz PUVXFFIPLIQOIC-QMMMGPOBSA-N 1 0 377.182 1.814 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000415529442 531491929 /nfs/dbraw/zinc/49/19/29/531491929.db2.gz BBHYWGFKPSDYRA-JTQLQIEISA-N 1 0 385.218 1.458 20 5 GDBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000415561149 531495220 /nfs/dbraw/zinc/49/52/20/531495220.db2.gz MALHCEATKKCJPX-RKDXNWHRSA-N 1 0 385.218 1.505 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415577798 531496778 /nfs/dbraw/zinc/49/67/78/531496778.db2.gz ZEWFBOUJJIDBDN-RKDXNWHRSA-N 1 0 399.245 1.813 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415646305 531507291 /nfs/dbraw/zinc/50/72/91/531507291.db2.gz MQTSLNDWGDDZJF-VHSXEESVSA-N 1 0 385.218 1.682 20 5 GDBDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415737864 531521887 /nfs/dbraw/zinc/52/18/87/531521887.db2.gz DEKAQNDKVWBRMH-VIFPVBQESA-N 1 0 387.234 1.930 20 5 GDBDRO Cc1c(NC(=O)C(=O)N(C)CC[NH+](C)C)cc(Br)cc1[N+](=O)[O-] ZINC000280672888 531523129 /nfs/dbraw/zinc/52/31/29/531523129.db2.gz FKKMWUHOZDWYFA-UHFFFAOYSA-N 1 0 387.234 1.624 20 5 GDBDRO CCn1cc(S(=O)(=O)NC[C@H](CC(C)C)[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000611107378 531529429 /nfs/dbraw/zinc/52/94/29/531529429.db2.gz MJKACUGERRVENF-ZDUSSCGKSA-N 1 0 375.495 1.846 20 5 GDBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415851635 531543584 /nfs/dbraw/zinc/54/35/84/531543584.db2.gz PSKZSBYPKKPXMX-ZJUUUORDSA-N 1 0 399.245 1.739 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)N1CC[NH+](C)CC1 ZINC000281079305 531575422 /nfs/dbraw/zinc/57/54/22/531575422.db2.gz BKEVTQGBSGWDLO-SNVBAGLBSA-N 1 0 394.856 1.302 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000493868774 531580873 /nfs/dbraw/zinc/58/08/73/531580873.db2.gz AGTFZLWATCYVCL-UHFFFAOYSA-N 1 0 375.422 1.705 20 5 GDBDRO C[C@@H](CNC(=O)c1cc(I)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000560779418 531666452 /nfs/dbraw/zinc/66/64/52/531666452.db2.gz HGBLHKHJVUBBBN-QMMMGPOBSA-N 1 0 377.182 1.879 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269488966 531679242 /nfs/dbraw/zinc/67/92/42/531679242.db2.gz RWCRSIKYWOJJNV-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000590971642 531701539 /nfs/dbraw/zinc/70/15/39/531701539.db2.gz CEYJICITZOWGIS-SNVBAGLBSA-N 1 0 389.193 1.815 20 5 GDBDRO C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000591328824 531717001 /nfs/dbraw/zinc/71/70/01/531717001.db2.gz QDJPINBRBVHYMK-JOYOIKCWSA-N 1 0 379.360 1.938 20 5 GDBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452365133 531775163 /nfs/dbraw/zinc/77/51/63/531775163.db2.gz NJLGKOKPFDOMPM-CYBMUJFWSA-N 1 0 386.246 1.934 20 5 GDBDRO C[C@]1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000453582718 531816260 /nfs/dbraw/zinc/81/62/60/531816260.db2.gz BSILLCDHVIKWLH-CYBMUJFWSA-N 1 0 389.193 1.958 20 5 GDBDRO C[NH+]1CCC(CNc2c(I)cncc2[N+](=O)[O-])CC1 ZINC000418932965 531866317 /nfs/dbraw/zinc/86/63/17/531866317.db2.gz IETHZXGCTZKWAU-UHFFFAOYSA-N 1 0 376.198 1.770 20 5 GDBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC(C)(C)F)c([N+](=O)[O-])c1 ZINC000596468493 531921471 /nfs/dbraw/zinc/92/14/71/531921471.db2.gz JLPAEMIOYVHBBO-UHFFFAOYSA-N 1 0 376.454 1.985 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271029025 531956138 /nfs/dbraw/zinc/95/61/38/531956138.db2.gz GWLGEINAUINZGN-NEPJUHHUSA-N 1 0 379.891 1.914 20 5 GDBDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000419837097 531976111 /nfs/dbraw/zinc/97/61/11/531976111.db2.gz ZTCTUFYGRIXXGX-QWHCGFSZSA-N 1 0 394.209 1.811 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000599102880 532006413 /nfs/dbraw/zinc/00/64/13/532006413.db2.gz GOFXZPKUEGWUMY-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCC[N@H+]1CC[C@H](O)C1 ZINC000599200104 532010471 /nfs/dbraw/zinc/01/04/71/532010471.db2.gz WSECIOQPNIKWRT-NSHDSACASA-N 1 0 381.230 1.806 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000420467288 532020214 /nfs/dbraw/zinc/02/02/14/532020214.db2.gz CTETYMIAJBBHEW-JTQLQIEISA-N 1 0 383.348 1.352 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000581428950 532081117 /nfs/dbraw/zinc/08/11/17/532081117.db2.gz MOWGEISQQWKIKB-KOLCDFICSA-N 1 0 379.360 1.986 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C[C@@H]1[NH+](C)C ZINC000272182793 532082919 /nfs/dbraw/zinc/08/29/19/532082919.db2.gz SXWIGPPDCABJDX-STQMWFEESA-N 1 0 377.463 1.708 20 5 GDBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285723525 532107712 /nfs/dbraw/zinc/10/77/12/532107712.db2.gz KADOWBFFMWQJJK-UONOGXRCSA-N 1 0 384.230 1.902 20 5 GDBDRO C[C@@H](O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)[C@@H](C)C1 ZINC000286269362 532139967 /nfs/dbraw/zinc/13/99/67/532139967.db2.gz DXZAVIPJDUZUGV-VHSXEESVSA-N 1 0 395.840 1.463 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274865958 532238908 /nfs/dbraw/zinc/23/89/08/532238908.db2.gz WPGMRINLUHMWOB-CHWSQXEVSA-N 1 0 389.474 1.934 20 5 GDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000392604214 532299471 /nfs/dbraw/zinc/29/94/71/532299471.db2.gz RLUHCFAVZZIYCX-SNVBAGLBSA-N 1 0 399.245 1.284 20 5 GDBDRO COC[C@@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289437435 532324429 /nfs/dbraw/zinc/32/44/29/532324429.db2.gz FPIRCDOCKORFBH-LBPRGKRZSA-N 1 0 380.182 1.686 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)nc1 ZINC000738371713 599358724 /nfs/dbraw/zinc/35/87/24/599358724.db2.gz XDQUCQWSJNXOFT-CYBMUJFWSA-N 1 0 396.411 1.735 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOc3ccccc3-c3nn[nH]n3)C2)nc1 ZINC000738371715 599358774 /nfs/dbraw/zinc/35/87/74/599358774.db2.gz XDQUCQWSJNXOFT-ZDUSSCGKSA-N 1 0 396.411 1.735 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)nc1 ZINC000823640122 607069017 /nfs/dbraw/zinc/06/90/17/607069017.db2.gz UCMQKQVTLHOKOK-ZDUSSCGKSA-N 1 0 384.375 1.995 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000567670185 650913958 /nfs/dbraw/zinc/91/39/58/650913958.db2.gz SWGDRKFNBRJWFK-VIFPVBQESA-N 1 0 389.193 1.990 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000125238584 644713263 /nfs/dbraw/zinc/71/32/63/644713263.db2.gz YBZWDOHGWVKQRY-RKDXNWHRSA-N 1 0 378.248 1.906 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000193707091 645054174 /nfs/dbraw/zinc/05/41/74/645054174.db2.gz JHMUFQCIXJDPNC-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO COc1c(S(=O)(=O)NCC[C@@H](C)[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262808473 645140199 /nfs/dbraw/zinc/14/01/99/645140199.db2.gz XPDNCOGLPSTMCE-SSDOTTSWSA-N 1 0 396.263 1.690 20 5 GDBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc([N+](=O)[O-])cc1I ZINC000368181513 645610385 /nfs/dbraw/zinc/61/03/85/645610385.db2.gz VSTSUUOEAATLNC-YUMQZZPRSA-N 1 0 393.156 1.629 20 5 GDBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502835740 648174010 /nfs/dbraw/zinc/17/40/10/648174010.db2.gz GMODQIOMFAUNBY-CMPLNLGQSA-N 1 0 399.245 1.800 20 5 GDBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000519828189 648641754 /nfs/dbraw/zinc/64/17/54/648641754.db2.gz UOZUKOOVENBDPU-MRVPVSSYSA-N 1 0 375.166 1.633 20 5 GDBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000577476991 651731352 /nfs/dbraw/zinc/73/13/52/651731352.db2.gz MCTULPVLHZMSRZ-CYBMUJFWSA-N 1 0 388.511 1.995 20 5 GDBDRO CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000591304202 652160610 /nfs/dbraw/zinc/16/06/10/652160610.db2.gz SFLDBQMIRPUQEI-RNCFNFMXSA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000592374752 652184439 /nfs/dbraw/zinc/18/44/39/652184439.db2.gz QDMHMGWLCGKBCF-UFBFGSQYSA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(Br)c1 ZINC000592389774 652188342 /nfs/dbraw/zinc/18/83/42/652188342.db2.gz JLGKZHMZDJHFLM-YUMQZZPRSA-N 1 0 382.211 1.336 20 5 GDBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593733833 652245854 /nfs/dbraw/zinc/24/58/54/652245854.db2.gz LAUZQBPVADLYMN-TUAOUCFPSA-N 1 0 375.472 1.563 20 5 GDBDRO CS(=O)(=O)CC1(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594719065 652351276 /nfs/dbraw/zinc/35/12/76/652351276.db2.gz YXHXAEAGLNXJEP-UHFFFAOYSA-N 1 0 390.483 1.173 20 5 GDBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595383714 652415447 /nfs/dbraw/zinc/41/54/47/652415447.db2.gz CZZOVMQGCHWXEU-GFCCVEGCSA-N 1 0 389.861 1.468 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000596128422 652437146 /nfs/dbraw/zinc/43/71/46/652437146.db2.gz HKWLZKJOLCIBPI-CQSZACIVSA-N 1 0 385.218 1.472 20 5 GDBDRO C[NH+](C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(Cl)c(Cl)c1 ZINC000600471562 652541661 /nfs/dbraw/zinc/54/16/61/652541661.db2.gz LQLPCORKIPMFQX-LBPRGKRZSA-N 1 0 387.227 1.912 20 5 GDBDRO Cc1cc(S(=O)(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601309517 652566942 /nfs/dbraw/zinc/56/69/42/652566942.db2.gz DXCJSFDRLZHWHG-UHFFFAOYSA-N 1 0 390.531 1.611 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000601347919 652568660 /nfs/dbraw/zinc/56/86/60/652568660.db2.gz PPHYAQHAMVTOMS-DTORHVGOSA-N 1 0 376.232 1.482 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000780719811 654791715 /nfs/dbraw/zinc/79/17/15/654791715.db2.gz PJBYDSUMSIUZJP-LLVKDONJSA-N 1 0 375.422 1.895 20 5 GDBDRO CCO[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000831737412 654995254 /nfs/dbraw/zinc/99/52/54/654995254.db2.gz GVBHEICZNYJIJJ-ZDUSSCGKSA-N 1 0 388.262 1.983 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841210995 655314459 /nfs/dbraw/zinc/31/44/59/655314459.db2.gz VILGMSCYIZPWQL-DTWKUNHWSA-N 1 0 385.218 1.492 20 5 GDBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842480319 655366912 /nfs/dbraw/zinc/36/69/12/655366912.db2.gz UZVIWBFMGGLKPT-WCBMZHEXSA-N 1 0 378.248 1.763 20 5 GDBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842728924 655374077 /nfs/dbraw/zinc/37/40/77/655374077.db2.gz IELCQOKLXVWXKU-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000842763765 655375642 /nfs/dbraw/zinc/37/56/42/655375642.db2.gz CHIZCKLLDDYPNB-CYBMUJFWSA-N 1 0 390.259 1.731 20 5 GDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000842795744 655377710 /nfs/dbraw/zinc/37/77/10/655377710.db2.gz VLPXKAUXTFYGQA-UHFFFAOYSA-N 1 0 390.259 1.906 20 5 GDBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000843098265 655388475 /nfs/dbraw/zinc/38/84/75/655388475.db2.gz NEIVLWIJWOWDRB-UONOGXRCSA-N 1 0 386.451 1.114 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000853116830 655632909 /nfs/dbraw/zinc/63/29/09/655632909.db2.gz MYIKWICHZNBFCN-FZMZJTMJSA-N 1 0 375.212 1.782 20 5 GDBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000863831820 655882903 /nfs/dbraw/zinc/88/29/03/655882903.db2.gz ONLWSRBLMZKULK-VIFPVBQESA-N 1 0 392.637 1.807 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866829106 655967872 /nfs/dbraw/zinc/96/78/72/655967872.db2.gz YZVNOTZNIUSRDD-CHWSQXEVSA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@]12C[NH+](Cc3cccc([N+](=O)[O-])c3Br)C[C@]1(C)C(=O)NC2=O ZINC000879155795 656778715 /nfs/dbraw/zinc/77/87/15/656778715.db2.gz IHWYTNRLDJMZJR-HUUCEWRRSA-N 1 0 382.214 1.842 20 5 GDBDRO O=C1NCCN1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000886323920 657643963 /nfs/dbraw/zinc/64/39/63/657643963.db2.gz QAUPIMAAGNISJR-UHFFFAOYSA-N 1 0 390.181 1.314 20 5 GDBDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001164833414 720325295 /nfs/dbraw/zinc/32/52/95/720325295.db2.gz WYIWBJWJBUDDBP-LSDHHAIUSA-N 1 0 388.472 1.484 20 5 GDBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164737123 720683273 /nfs/dbraw/zinc/68/32/73/720683273.db2.gz DNDFCWSSTOFIQW-GJZGRUSLSA-N 1 0 393.407 1.670 20 5 GDBDRO Nc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747325 720834224 /nfs/dbraw/zinc/83/42/24/720834224.db2.gz QEIUZFYJEDMXKJ-BFYDXBDKSA-N 1 0 398.471 1.543 20 5 GDBDRO Nc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747332 720834372 /nfs/dbraw/zinc/83/43/72/720834372.db2.gz QEIUZFYJEDMXKJ-ZMSDIMECSA-N 1 0 398.471 1.543 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747306 720844960 /nfs/dbraw/zinc/84/49/60/720844960.db2.gz QCZDCCPJYCAENZ-UWWQBHOKSA-N 1 0 398.471 1.543 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)CC[C@H]2C1 ZINC001164853296 720850887 /nfs/dbraw/zinc/85/08/87/720850887.db2.gz OBKYLKFEVFERMI-KSSFIOAISA-N 1 0 387.440 1.712 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164857112 720851078 /nfs/dbraw/zinc/85/10/78/720851078.db2.gz XMFCUFCLGLMFPO-KSSFIOAISA-N 1 0 387.440 1.712 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ncc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164772196 721076807 /nfs/dbraw/zinc/07/68/07/721076807.db2.gz USLFTKVNDDOETN-QWHCGFSZSA-N 1 0 377.836 1.730 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(N)c([N+](=O)[O-])cn4)C3)O2)CC1 ZINC001164892555 721419061 /nfs/dbraw/zinc/41/90/61/721419061.db2.gz YSFHXHXAQXQJNL-KXBFYZLASA-N 1 0 390.488 1.337 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892309 721431762 /nfs/dbraw/zinc/43/17/62/721431762.db2.gz IBYWMZBFZGUIRE-VQIMIIECSA-N 1 0 390.488 1.337 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164903043 721534034 /nfs/dbraw/zinc/53/40/34/721534034.db2.gz BWEZQKQFTKCTMJ-HIFRSBDPSA-N 1 0 389.387 1.874 20 5 GDBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589881423 1126215567 /nfs/dbraw/zinc/21/55/67/1126215567.db2.gz PRRDHPFOWUILCO-SFHVURJKSA-N 1 0 386.387 1.997 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CN1CC[NH+](C)CC1 ZINC000173455302 530630555 /nfs/dbraw/zinc/63/05/55/530630555.db2.gz RHUIWPTWVUUFTB-GFCCVEGCSA-N 1 0 390.893 1.410 20 5 GDBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1I)[C@@H]1CC[NH2+]C1 ZINC000179047781 530733905 /nfs/dbraw/zinc/73/39/05/530733905.db2.gz IHQAMEZRHXOMFB-SECBINFHSA-N 1 0 375.166 1.633 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187177103 530867871 /nfs/dbraw/zinc/86/78/71/530867871.db2.gz MGNXEMCZLSQVDL-WDEREUQCSA-N 1 0 375.422 1.846 20 5 GDBDRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000124649095 530998021 /nfs/dbraw/zinc/99/80/21/530998021.db2.gz CYZIQSJVMRWWKJ-LBPRGKRZSA-N 1 0 390.531 1.517 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000127505142 531031245 /nfs/dbraw/zinc/03/12/45/531031245.db2.gz IKFWIHXGPCBZNM-OLZOCXBDSA-N 1 0 389.499 1.703 20 5 GDBDRO NC(=O)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1F ZINC000130978491 531066225 /nfs/dbraw/zinc/06/62/25/531066225.db2.gz RXSOCMUQLUWCMN-GFCCVEGCSA-N 1 0 386.181 1.509 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000150875255 531131006 /nfs/dbraw/zinc/13/10/06/531131006.db2.gz QTSVCHNDFDUOFW-LBPRGKRZSA-N 1 0 379.866 1.883 20 5 GDBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000152479400 531152135 /nfs/dbraw/zinc/15/21/35/531152135.db2.gz KXMQDLOYGOOWMF-UHFFFAOYSA-N 1 0 393.181 1.165 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000265161176 531231505 /nfs/dbraw/zinc/23/15/05/531231505.db2.gz WCSHXHXUKCSVRX-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000474185805 531271220 /nfs/dbraw/zinc/27/12/20/531271220.db2.gz SDNYNULCOZAEBD-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H](O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266179577 531320214 /nfs/dbraw/zinc/32/02/14/531320214.db2.gz BRTBERDMGPZSLF-NEPJUHHUSA-N 1 0 389.499 1.392 20 5 GDBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000440337447 531333511 /nfs/dbraw/zinc/33/35/11/531333511.db2.gz FOAHROZYZFHFKN-VIFPVBQESA-N 1 0 378.248 1.717 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000440810491 531344647 /nfs/dbraw/zinc/34/46/47/531344647.db2.gz RFIMTWGAENVZNE-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440834126 531347205 /nfs/dbraw/zinc/34/72/05/531347205.db2.gz QDTNYWZBRRYSMZ-PRHODGIISA-N 1 0 378.248 1.634 20 5 GDBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267115097 531398341 /nfs/dbraw/zinc/39/83/41/531398341.db2.gz BVVJCTBIRJHIDX-AWEZNQCLSA-N 1 0 375.472 1.319 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000447246318 531422285 /nfs/dbraw/zinc/42/22/85/531422285.db2.gz OQZNEXNRBIQQHZ-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000267846008 531456424 /nfs/dbraw/zinc/45/64/24/531456424.db2.gz CYWGRLVDJJCJTH-CYBMUJFWSA-N 1 0 375.447 1.239 20 5 GDBDRO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415692611 531516014 /nfs/dbraw/zinc/51/60/14/531516014.db2.gz RXKBDBDNQSWAIT-JTQLQIEISA-N 1 0 399.245 1.883 20 5 GDBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000556526074 531496758 /nfs/dbraw/zinc/49/67/58/531496758.db2.gz MQHKNVXTQXMPIA-LBPRGKRZSA-N 1 0 399.245 1.848 20 5 GDBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)c1ccccc1Br ZINC000295330724 531561622 /nfs/dbraw/zinc/56/16/22/531561622.db2.gz MUGWOCCPJPECQL-DOMZBBRYSA-N 1 0 399.245 1.580 20 5 GDBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000269456925 531673373 /nfs/dbraw/zinc/67/33/73/531673373.db2.gz FUOVMHCGFQTFMC-JTQLQIEISA-N 1 0 378.248 1.682 20 5 GDBDRO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269493889 531680670 /nfs/dbraw/zinc/68/06/70/531680670.db2.gz UTCYQARSHKEEEK-SNVBAGLBSA-N 1 0 392.275 1.930 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Br ZINC000366317959 531736249 /nfs/dbraw/zinc/73/62/49/531736249.db2.gz UUGVTWHJVFHSPM-SKDRFNHKSA-N 1 0 390.259 1.730 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000367162360 531815854 /nfs/dbraw/zinc/81/58/54/531815854.db2.gz AJNIGQOTVWCNEM-SNVBAGLBSA-N 1 0 378.248 1.778 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000367405334 531835321 /nfs/dbraw/zinc/83/53/21/531835321.db2.gz ODBPEGRONYFNPE-IUCAKERBSA-N 1 0 396.238 1.678 20 5 GDBDRO CCO[C@@H]1C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000298313498 531876137 /nfs/dbraw/zinc/87/61/37/531876137.db2.gz HZBQZDVGXXATAK-KFWWJZLASA-N 1 0 389.499 1.372 20 5 GDBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000597989751 531963354 /nfs/dbraw/zinc/96/33/54/531963354.db2.gz IXTNZNOWHDHPHH-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO C[NH+](C)[C@@]1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCSC1 ZINC000299188603 531965659 /nfs/dbraw/zinc/96/56/59/531965659.db2.gz COUQSOHWXZVGTL-OAHLLOKOSA-N 1 0 386.861 1.740 20 5 GDBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598723863 531992460 /nfs/dbraw/zinc/99/24/60/531992460.db2.gz IBADKSWRGLTNQX-NOZJJQNGSA-N 1 0 390.259 1.859 20 5 GDBDRO CS(=O)(=O)C1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000573557076 531986599 /nfs/dbraw/zinc/98/65/99/531986599.db2.gz PNFLYNUBGAATNB-UHFFFAOYSA-N 1 0 390.483 1.314 20 5 GDBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599049735 532004081 /nfs/dbraw/zinc/00/40/81/532004081.db2.gz BFNJUNONKYXLEG-UHFFFAOYSA-N 1 0 399.245 1.203 20 5 GDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599101763 532005235 /nfs/dbraw/zinc/00/52/35/532005235.db2.gz BEQLHPSONXFVPM-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420461882 532018872 /nfs/dbraw/zinc/01/88/72/532018872.db2.gz VAVFVQVRLIOVGI-JTQLQIEISA-N 1 0 383.348 1.270 20 5 GDBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000575921359 532017780 /nfs/dbraw/zinc/01/77/80/532017780.db2.gz UKODNYKQSKHJHX-VIFPVBQESA-N 1 0 389.193 1.929 20 5 GDBDRO O=C(C[NH+]1CCCC1)N1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301850936 532040967 /nfs/dbraw/zinc/04/09/67/532040967.db2.gz ALMLOGNVEGIWOO-UHFFFAOYSA-N 1 0 398.261 1.497 20 5 GDBDRO [NH3+]C1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000579120701 532056443 /nfs/dbraw/zinc/05/64/43/532056443.db2.gz NKYIYYFKTVIUHH-UHFFFAOYSA-N 1 0 375.166 1.763 20 5 GDBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000285366235 532074676 /nfs/dbraw/zinc/07/46/76/532074676.db2.gz VTUBSYJJMYRGAZ-WFASDCNBSA-N 1 0 390.483 1.314 20 5 GDBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@]2(OCCO)CCOC2)cc1Br ZINC000602709960 532081751 /nfs/dbraw/zinc/08/17/51/532081751.db2.gz LPEHZDJZZJKULE-GFCCVEGCSA-N 1 0 381.248 1.676 20 5 GDBDRO CN1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1=O ZINC000289905867 532333779 /nfs/dbraw/zinc/33/37/79/532333779.db2.gz NTQDTPRCJCEJTP-JTQLQIEISA-N 1 0 375.166 1.520 20 5 GDBDRO NC(=O)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732059 598886712 /nfs/dbraw/zinc/88/67/12/598886712.db2.gz VRJZCBLBVLMTBR-QGZVFWFLSA-N 1 0 395.423 1.914 20 5 GDBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000737593130 599266856 /nfs/dbraw/zinc/26/68/56/599266856.db2.gz QZFYDEUDSPHGNF-SECBINFHSA-N 1 0 387.429 1.522 20 5 GDBDRO CC[C@@H]1C[N@H+](CCn2cccn2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736409519 598673075 /nfs/dbraw/zinc/67/30/75/598673075.db2.gz WCCSTEQIKWGOFG-CQSZACIVSA-N 1 0 397.443 1.572 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821188867 606139929 /nfs/dbraw/zinc/13/99/29/606139929.db2.gz DKLQSCZHGHMMMH-ZDUSSCGKSA-N 1 0 376.421 1.107 20 5 GDBDRO CC(C)C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)C(=O)NCC[NH+](C)C ZINC000824274554 607966888 /nfs/dbraw/zinc/96/68/88/607966888.db2.gz KIEHNADAZAIHLK-HNNXBMFYSA-N 1 0 390.448 1.279 20 5 GDBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)ccn1 ZINC000825870514 608100452 /nfs/dbraw/zinc/10/04/52/608100452.db2.gz PNFBSHJBIFDEAQ-UHFFFAOYSA-N 1 0 384.400 1.722 20 5 GDBDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000825958173 609490215 /nfs/dbraw/zinc/49/02/15/609490215.db2.gz NPBFPPLSDPPJPM-HNNXBMFYSA-N 1 0 384.396 1.647 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533006896 650039702 /nfs/dbraw/zinc/03/97/02/650039702.db2.gz USISGOYOSHPOTE-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193396408 645050345 /nfs/dbraw/zinc/05/03/45/645050345.db2.gz URCOJGNZZPAZQJ-WCBMZHEXSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC000262784067 645139102 /nfs/dbraw/zinc/13/91/02/645139102.db2.gz PRECOSCJYIEPJB-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000370337245 645684741 /nfs/dbraw/zinc/68/47/41/645684741.db2.gz IRBFXOTZWFMYIK-KBPBESRZSA-N 1 0 398.257 1.879 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1Br ZINC000370729611 645700705 /nfs/dbraw/zinc/70/07/05/645700705.db2.gz JJQZQZIZYNFIHA-YUMQZZPRSA-N 1 0 382.211 1.336 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000440449232 646244111 /nfs/dbraw/zinc/24/41/11/646244111.db2.gz ZAOTYDBAMMPDPS-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000919095438 660245949 /nfs/dbraw/zinc/24/59/49/660245949.db2.gz BQGVJBCWNXYUTH-HNNXBMFYSA-N 1 0 386.246 1.820 20 5 GDBDRO CSCCN(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000446857651 647296470 /nfs/dbraw/zinc/29/64/70/647296470.db2.gz WCQUOJXYNUFQFP-UHFFFAOYSA-N 1 0 390.531 1.624 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000462389843 647525951 /nfs/dbraw/zinc/52/59/51/647525951.db2.gz OPHQPJKDDCVNCH-CYBMUJFWSA-N 1 0 379.360 1.988 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000471647620 647750443 /nfs/dbraw/zinc/75/04/43/647750443.db2.gz QSSBNGWAOBOWKA-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO C[NH+]1CCC(O)(CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000501089278 648128991 /nfs/dbraw/zinc/12/89/91/648128991.db2.gz ZSLDDKDVJIVMOX-UHFFFAOYSA-N 1 0 387.234 1.936 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000515416881 648495094 /nfs/dbraw/zinc/49/50/94/648495094.db2.gz PWJDWENJFITTRN-LLVKDONJSA-N 1 0 375.166 1.667 20 5 GDBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000518365787 648595114 /nfs/dbraw/zinc/59/51/14/648595114.db2.gz PCZKWLCYWYYIOY-GFCCVEGCSA-N 1 0 386.451 1.589 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2cccc(Br)c2)c1 ZINC000571276923 651071001 /nfs/dbraw/zinc/07/10/01/651071001.db2.gz BMCDMVATBMQSDR-CYBMUJFWSA-N 1 0 385.218 1.583 20 5 GDBDRO COCC[NH2+]CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000575058323 651580281 /nfs/dbraw/zinc/58/02/81/651580281.db2.gz XWSZTKLILOVVSG-UHFFFAOYSA-N 1 0 393.181 1.165 20 5 GDBDRO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000584160691 652058090 /nfs/dbraw/zinc/05/80/90/652058090.db2.gz KDMOZSAVUBRGLI-UHFFFAOYSA-N 1 0 387.234 1.800 20 5 GDBDRO C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000589926745 652121383 /nfs/dbraw/zinc/12/13/83/652121383.db2.gz ZVNLENYJQGXXKP-CABZTGNLSA-N 1 0 379.360 1.938 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])s1 ZINC000601348320 652568934 /nfs/dbraw/zinc/56/89/34/652568934.db2.gz UTXLPTJLEWOPPL-ZDUSSCGKSA-N 1 0 388.515 1.365 20 5 GDBDRO C[NH+](C)CC1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000601423853 652579619 /nfs/dbraw/zinc/57/96/19/652579619.db2.gz OIGBMJDOUVVOOI-UHFFFAOYSA-N 1 0 378.248 1.539 20 5 GDBDRO Cc1cc(S(=O)(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000601439386 652582400 /nfs/dbraw/zinc/58/24/00/652582400.db2.gz FULIZKWWYXOVRD-UHFFFAOYSA-N 1 0 389.499 1.840 20 5 GDBDRO CS(=O)(=O)N1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602576605 652642173 /nfs/dbraw/zinc/64/21/73/652642173.db2.gz PFGMOSSHOTXURH-MRVPVSSYSA-N 1 0 398.304 1.790 20 5 GDBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000610162398 652875879 /nfs/dbraw/zinc/87/58/79/652875879.db2.gz ZPHNCTGPEZQJHK-UHFFFAOYSA-N 1 0 380.369 1.226 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000734244157 654531417 /nfs/dbraw/zinc/53/14/17/654531417.db2.gz SGFSLMDDVXNQNX-GFCCVEGCSA-N 1 0 375.472 1.578 20 5 GDBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000745942801 654751891 /nfs/dbraw/zinc/75/18/91/654751891.db2.gz SJAAHWASNRVQGH-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000780480291 654785443 /nfs/dbraw/zinc/78/54/43/654785443.db2.gz WCTHOKHYRDVNQW-SNVBAGLBSA-N 1 0 376.255 1.288 20 5 GDBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000805114910 655026322 /nfs/dbraw/zinc/02/63/22/655026322.db2.gz CJRNVVBXHOWUDN-ZETCQYMHSA-N 1 0 384.227 1.725 20 5 GDBDRO CN(CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000795415990 655176137 /nfs/dbraw/zinc/17/61/37/655176137.db2.gz RYKQGIQJKQTVCQ-NSHDSACASA-N 1 0 385.262 1.861 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C[NH+](C)C ZINC000813730833 655243653 /nfs/dbraw/zinc/24/36/53/655243653.db2.gz VTBOTCFRSJLBCV-SECBINFHSA-N 1 0 380.264 1.833 20 5 GDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000841164041 655311595 /nfs/dbraw/zinc/31/15/95/655311595.db2.gz NDNYXBUMDRYIDB-JTQLQIEISA-N 1 0 399.245 1.815 20 5 GDBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841202760 655313816 /nfs/dbraw/zinc/31/38/16/655313816.db2.gz ZDIFSGQZGJVWID-IUCAKERBSA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841245674 655317136 /nfs/dbraw/zinc/31/71/36/655317136.db2.gz AHBITQVGMOCOBE-SECBINFHSA-N 1 0 387.234 1.930 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000842480250 655366772 /nfs/dbraw/zinc/36/67/72/655366772.db2.gz RUJFNUIALQNIKT-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000842479924 655366790 /nfs/dbraw/zinc/36/67/90/655366790.db2.gz JHUKVSNQEJNLDD-RKDXNWHRSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1Br ZINC000842485793 655368199 /nfs/dbraw/zinc/36/81/99/655368199.db2.gz UROMRAOMNMJLQK-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC2CC[NH2+]CC2)ccc1Br ZINC000842686345 655371167 /nfs/dbraw/zinc/37/11/67/655371167.db2.gz FUBPHERHGXZWMQ-UHFFFAOYSA-N 1 0 378.248 1.635 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000842743119 655374732 /nfs/dbraw/zinc/37/47/32/655374732.db2.gz BZWBJXSUIICFCL-KWQFWETISA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000842747154 655375098 /nfs/dbraw/zinc/37/50/98/655375098.db2.gz SBNMQXXOKJXTJS-NSHDSACASA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842791690 655377278 /nfs/dbraw/zinc/37/72/78/655377278.db2.gz YZFLDVGGRSCQGL-RKDXNWHRSA-N 1 0 378.248 1.715 20 5 GDBDRO O=C(NCCC1CC[NH2+]CC1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000846325101 655452293 /nfs/dbraw/zinc/45/22/93/655452293.db2.gz UTPAIMFERWBGII-UHFFFAOYSA-N 1 0 399.245 1.802 20 5 GDBDRO C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849424227 655532840 /nfs/dbraw/zinc/53/28/40/655532840.db2.gz XEFRFDXQFHNWHL-LBPRGKRZSA-N 1 0 392.909 1.799 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000849429867 655533798 /nfs/dbraw/zinc/53/37/98/655533798.db2.gz WEXBIPUSMQAWTL-UHFFFAOYSA-N 1 0 392.909 1.718 20 5 GDBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F)n1 ZINC000850517751 655557107 /nfs/dbraw/zinc/55/71/07/655557107.db2.gz AMGXDDDDKFKFBH-WDEREUQCSA-N 1 0 384.380 1.842 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1[N+](=O)[O-] ZINC000850849200 655570132 /nfs/dbraw/zinc/57/01/32/655570132.db2.gz TUROEFIEXJWTEJ-UHFFFAOYSA-N 1 0 397.229 1.554 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000866791748 655964079 /nfs/dbraw/zinc/96/40/79/655964079.db2.gz JNYQYVKRKXQXEC-DTORHVGOSA-N 1 0 376.232 1.482 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866829107 655967879 /nfs/dbraw/zinc/96/78/79/655967879.db2.gz YZVNOTZNIUSRDD-OLZOCXBDSA-N 1 0 390.259 1.872 20 5 GDBDRO Cc1cc(OS(=O)(=O)CCCN2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000867265120 656026337 /nfs/dbraw/zinc/02/63/37/656026337.db2.gz BVMRCJUWTLDSGS-UHFFFAOYSA-N 1 0 391.877 1.903 20 5 GDBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896556836 658789508 /nfs/dbraw/zinc/78/95/08/658789508.db2.gz QIOULDXUJXTQKR-HZMBPMFUSA-N 1 0 385.262 1.721 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903596848 659357806 /nfs/dbraw/zinc/35/78/06/659357806.db2.gz UAPFFIPFRCIZSU-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001164613976 719012329 /nfs/dbraw/zinc/01/23/29/719012329.db2.gz AYCFZVPOPOPCTM-KPXOXKRLSA-N 1 0 390.774 1.918 20 5 GDBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncnc(OC)c1[N+](=O)[O-])C2 ZINC001164816191 720116377 /nfs/dbraw/zinc/11/63/77/720116377.db2.gz YHZOEJFHKAUGQK-KSSFIOAISA-N 1 0 377.445 1.578 20 5 GDBDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(F)cc1[N+](=O)[O-])CCC2 ZINC001164813367 720215452 /nfs/dbraw/zinc/21/54/52/720215452.db2.gz OZLHLRJQLSBEOE-UHFFFAOYSA-N 1 0 390.419 1.936 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164746006 720810950 /nfs/dbraw/zinc/81/09/50/720810950.db2.gz LIAKIKUVHDHMDX-RYQLBKOJSA-N 1 0 399.455 1.199 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3cnc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]2C1 ZINC001164854747 720841414 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390.893 1.471 20 5 GDBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000187246550 530869510 /nfs/dbraw/zinc/86/95/10/530869510.db2.gz CKSINBVGGAPUDX-LLVKDONJSA-N 1 0 375.422 1.847 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000189125085 530907899 /nfs/dbraw/zinc/90/78/99/530907899.db2.gz QDCNJSNFAPGTHA-UHFFFAOYSA-N 1 0 376.866 1.164 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000122550822 530973355 /nfs/dbraw/zinc/97/33/55/530973355.db2.gz AOQNFYNIWNNNIJ-LLVKDONJSA-N 1 0 376.866 1.162 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237612304 531048995 /nfs/dbraw/zinc/04/89/95/531048995.db2.gz FZOVOACQVSBTBM-UHFFFAOYSA-N 1 0 376.866 1.130 20 5 GDBDRO COC[C@]1(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000261661744 531095216 /nfs/dbraw/zinc/09/52/16/531095216.db2.gz KPFLKZDHTMACOW-CQSZACIVSA-N 1 0 377.850 1.604 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262165852 531110822 /nfs/dbraw/zinc/11/08/22/531110822.db2.gz HFPUXUCBEPJVCN-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO C[NH+](C)CCOC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000474103109 531267227 /nfs/dbraw/zinc/26/72/27/531267227.db2.gz CDHQUPMFVORSOQ-UHFFFAOYSA-N 1 0 391.877 1.980 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000440415478 531338168 /nfs/dbraw/zinc/33/81/68/531338168.db2.gz RGQWKJBHUSMMIR-MNOVXSKESA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000440810488 531344816 /nfs/dbraw/zinc/34/48/16/531344816.db2.gz RFIMTWGAENVZNE-BDAKNGLRSA-N 1 0 378.248 1.728 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440841725 531346961 /nfs/dbraw/zinc/34/69/61/531346961.db2.gz IBJYKQJPIQRCOO-SECBINFHSA-N 1 0 378.248 1.554 20 5 GDBDRO COc1c(S(=O)(=O)NC[C@@H](C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] 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ZINC000821581308 599581909 /nfs/dbraw/zinc/58/19/09/599581909.db2.gz IGXOEZDCOHQCBA-UHFFFAOYSA-N 1 0 380.412 1.681 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1CC ZINC000821378184 606707877 /nfs/dbraw/zinc/70/78/77/606707877.db2.gz KRAKINIBUNNLRQ-LBPRGKRZSA-N 1 0 376.421 1.107 20 5 GDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000824705465 607841009 /nfs/dbraw/zinc/84/10/09/607841009.db2.gz BJLHPNIOMJKDQB-GFCCVEGCSA-N 1 0 375.433 1.304 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@@H]1CC ZINC000825598813 607841152 /nfs/dbraw/zinc/84/11/52/607841152.db2.gz CHQUYGYINHTAFN-ZDUSSCGKSA-N 1 0 375.433 1.712 20 5 GDBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000565268571 650790054 /nfs/dbraw/zinc/79/00/54/650790054.db2.gz FPZORFGYNRBSDG-UHFFFAOYSA-N 1 0 387.278 1.971 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH2+]CC1 ZINC000567824429 650922019 /nfs/dbraw/zinc/92/20/19/650922019.db2.gz 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CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000502835741 648174071 /nfs/dbraw/zinc/17/40/71/648174071.db2.gz GMODQIOMFAUNBY-JQWIXIFHSA-N 1 0 399.245 1.800 20 5 GDBDRO [NH3+]CC[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000516569434 648526662 /nfs/dbraw/zinc/52/66/62/648526662.db2.gz NIXULVVQBFPTFP-VIFPVBQESA-N 1 0 382.726 1.374 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000519570334 648629424 /nfs/dbraw/zinc/62/94/24/648629424.db2.gz CESQUUVVRMUGCC-UHFFFAOYSA-N 1 0 389.499 1.709 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2cccc(Br)c2)c1 ZINC000571276924 651070986 /nfs/dbraw/zinc/07/09/86/651070986.db2.gz BMCDMVATBMQSDR-ZDUSSCGKSA-N 1 0 385.218 1.583 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCn2ccnn2)c1 ZINC000584809098 652082570 /nfs/dbraw/zinc/08/25/70/652082570.db2.gz CNFLVZULQHWDMC-UHFFFAOYSA-N 1 0 387.181 1.971 20 5 GDBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000602493182 652639972 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20 5 GDBDRO CN(CC(=O)N1CCC[N@H+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000794608005 655148830 /nfs/dbraw/zinc/14/88/30/655148830.db2.gz COVMQMABXSWUIY-UHFFFAOYSA-N 1 0 385.262 1.958 20 5 GDBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000810347647 655155758 /nfs/dbraw/zinc/15/57/58/655155758.db2.gz JRRRLQXURLSTIX-JTQLQIEISA-N 1 0 399.245 1.896 20 5 GDBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)CCOCC1 ZINC000798170977 655255584 /nfs/dbraw/zinc/25/55/84/655255584.db2.gz WSUPLVDYYWHRTL-UHFFFAOYSA-N 1 0 387.234 1.593 20 5 GDBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841159203 655311196 /nfs/dbraw/zinc/31/11/96/655311196.db2.gz YCUMLEVQSDIUGJ-SECBINFHSA-N 1 0 385.218 1.493 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000841161188 655311402 /nfs/dbraw/zinc/31/14/02/655311402.db2.gz XZYOVWFPBXCDDC-SNVBAGLBSA-N 1 0 399.245 1.863 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841211003 655314396 /nfs/dbraw/zinc/31/43/96/655314396.db2.gz VILGMSCYIZPWQL-IUCAKERBSA-N 1 0 385.218 1.492 20 5 GDBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841233656 655316134 /nfs/dbraw/zinc/31/61/34/655316134.db2.gz BUKFUAAWJWCALX-CQSZACIVSA-N 1 0 385.218 1.493 20 5 GDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841260028 655318094 /nfs/dbraw/zinc/31/80/94/655318094.db2.gz YMFICLMODNMZFR-SNVBAGLBSA-N 1 0 399.245 1.944 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)ccc1Br ZINC000842479871 655366792 /nfs/dbraw/zinc/36/67/92/655366792.db2.gz GYNVMHLLRHMXGC-TVQRCGJNSA-N 1 0 390.259 1.730 20 5 GDBDRO COCC1(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000842855108 655381078 /nfs/dbraw/zinc/38/10/78/655381078.db2.gz WCTCTIVEOQTZSO-UHFFFAOYSA-N 1 0 375.422 1.337 20 5 GDBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000844148869 655407981 /nfs/dbraw/zinc/40/79/81/655407981.db2.gz HQLGIBXSWCSPHO-SNVBAGLBSA-N 1 0 399.245 1.549 20 5 GDBDRO [NH3+]CC1(CCNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000846323683 655452290 /nfs/dbraw/zinc/45/22/90/655452290.db2.gz XDTMXWPFANSMLD-UHFFFAOYSA-N 1 0 385.218 1.541 20 5 GDBDRO CCN(C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000850582932 655559098 /nfs/dbraw/zinc/55/90/98/655559098.db2.gz IAOJTDPKMFEPGI-LLVKDONJSA-N 1 0 399.245 1.848 20 5 GDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC000857236440 655731682 /nfs/dbraw/zinc/73/16/82/655731682.db2.gz YWECQWWBDOAXNA-RNCFNFMXSA-N 1 0 390.259 1.859 20 5 GDBDRO [NH3+]CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCOCC1 ZINC000858630526 655751402 /nfs/dbraw/zinc/75/14/02/655751402.db2.gz ZEEZRBQRVVPNML-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000858632417 655751477 /nfs/dbraw/zinc/75/14/77/655751477.db2.gz PKCIDRPQDPKHIV-IUCAKERBSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866791688 655964074 /nfs/dbraw/zinc/96/40/74/655964074.db2.gz ICFNSXCGKSBGMN-AOOOYVTPSA-N 1 0 376.232 1.482 20 5 GDBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000870970282 656259283 /nfs/dbraw/zinc/25/92/83/656259283.db2.gz NQDFWXBFDJBJEJ-ZKCHVHJHSA-N 1 0 375.166 1.667 20 5 GDBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899213957 658996196 /nfs/dbraw/zinc/99/61/96/658996196.db2.gz NWACVFPGOYYRQO-CYBMUJFWSA-N 1 0 384.230 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC000903592407 659356825 /nfs/dbraw/zinc/35/68/25/659356825.db2.gz DIVZTLIQOABGHZ-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO O=C(NC12CC[NH+](CC1)C2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000913631867 660090374 /nfs/dbraw/zinc/09/03/74/660090374.db2.gz GMGMRITYDRPQLV-UHFFFAOYSA-N 1 0 387.177 1.777 20 5 GDBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164614352 719013807 /nfs/dbraw/zinc/01/38/07/719013807.db2.gz FBGVQYRYJPYEAU-LSJOCFKGSA-N 1 0 390.774 1.918 20 5 GDBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncnc(OC)c1[N+](=O)[O-])C2 ZINC001164816192 720116670 /nfs/dbraw/zinc/11/66/70/720116670.db2.gz YHZOEJFHKAUGQK-RDTXWAMCSA-N 1 0 377.445 1.578 20 5 GDBDRO COc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001164731475 720382621 /nfs/dbraw/zinc/38/26/21/720382621.db2.gz ZZPZUTLKMSTQGT-KBPBESRZSA-N 1 0 386.412 1.650 20 5 GDBDRO CCOc1nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164738203 720737314 /nfs/dbraw/zinc/73/73/14/720737314.db2.gz FCJXROBGPVCVRH-KGLIPLIRSA-N 1 0 386.412 1.520 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)CC[C@@H]2C1 ZINC001164853299 720850812 /nfs/dbraw/zinc/85/08/12/720850812.db2.gz OBKYLKFEVFERMI-RDTXWAMCSA-N 1 0 387.440 1.712 20 5 GDBDRO COc1cc(C)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164770587 721117625 /nfs/dbraw/zinc/11/76/25/721117625.db2.gz RAOCQFKTNCQOSK-JKSUJKDBSA-N 1 0 386.456 1.999 20 5 GDBDRO COc1ncnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164903041 721533968 /nfs/dbraw/zinc/53/39/68/721533968.db2.gz BWEZQKQFTKCTMJ-DZGCQCFKSA-N 1 0 389.387 1.874 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164981682 722112199 /nfs/dbraw/zinc/11/21/99/722112199.db2.gz UTMQBGCEZMJCRE-WMZOPIPTSA-N 1 0 384.440 1.816 20 5 GDBDRO C[NH+]1CCN(CCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000160793870 530554692 /nfs/dbraw/zinc/55/46/92/530554692.db2.gz LDGBMOFMDVUAML-UHFFFAOYSA-N 1 0 385.262 1.725 20 5 GDBDRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000161658811 530562874 /nfs/dbraw/zinc/56/28/74/530562874.db2.gz IWJSSUSYHLYZFD-CYBMUJFWSA-N 1 0 391.877 1.619 20 5 GDBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000093583287 530814062 /nfs/dbraw/zinc/81/40/62/530814062.db2.gz AIFAPMGTXLWRCL-CYBMUJFWSA-N 1 0 388.262 1.482 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)c1 ZINC000183682445 530819248 /nfs/dbraw/zinc/81/92/48/530819248.db2.gz WCTGVZYGKSNGMH-UHFFFAOYSA-N 1 0 391.877 1.682 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000187175892 530868055 /nfs/dbraw/zinc/86/80/55/530868055.db2.gz PCCLEAMYHDOJKK-MFKMUULPSA-N 1 0 375.422 1.703 20 5 GDBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000187249107 530869661 /nfs/dbraw/zinc/86/96/61/530869661.db2.gz HBZYYQHKWLFPFJ-NSHDSACASA-N 1 0 375.422 1.705 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193387770 530985231 /nfs/dbraw/zinc/98/52/31/530985231.db2.gz HVZYSCMUDDMWRB-UHFFFAOYSA-N 1 0 390.259 1.864 20 5 GDBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@@H]2C1 ZINC000192921464 530975447 /nfs/dbraw/zinc/97/54/47/530975447.db2.gz CHGJRWSQBFNLQD-AOOOYVTPSA-N 1 0 379.360 1.796 20 5 GDBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000123343055 530982882 /nfs/dbraw/zinc/98/28/82/530982882.db2.gz OKHQXVRVSVZNHR-UHFFFAOYSA-N 1 0 386.246 1.934 20 5 GDBDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262026151 531105808 /nfs/dbraw/zinc/10/58/08/531105808.db2.gz PAJAHFOWGOFUKF-GFCCVEGCSA-N 1 0 380.754 1.814 20 5 GDBDRO O=[N+]([O-])c1nn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000152294217 531149007 /nfs/dbraw/zinc/14/90/07/531149007.db2.gz KWBHVYMXFNAWDU-CYBMUJFWSA-N 1 0 381.230 1.973 20 5 GDBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000154622261 531186797 /nfs/dbraw/zinc/18/67/97/531186797.db2.gz OJJKVKCWAFOKKI-LBPRGKRZSA-N 1 0 399.289 1.652 20 5 GDBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000290775621 531256044 /nfs/dbraw/zinc/25/60/44/531256044.db2.gz LJMFJJSCLGKUFT-SNVBAGLBSA-N 1 0 385.218 1.506 20 5 GDBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC([NH2+]CCO)CC1 ZINC000290912757 531265261 /nfs/dbraw/zinc/26/52/61/531265261.db2.gz HCPGNYMAKOWTRE-UHFFFAOYSA-N 1 0 391.209 1.750 20 5 GDBDRO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000474157021 531270420 /nfs/dbraw/zinc/27/04/20/531270420.db2.gz IHZLKPOGWIXGCV-LBPRGKRZSA-N 1 0 377.488 1.778 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000292755961 531376131 /nfs/dbraw/zinc/37/61/31/531376131.db2.gz UTYSGFOHWAPHQZ-SECBINFHSA-N 1 0 380.264 1.833 20 5 GDBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000293086884 531400175 /nfs/dbraw/zinc/40/01/75/531400175.db2.gz DQMZWPRTVMYUJP-VIFPVBQESA-N 1 0 387.234 1.610 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415668505 531512390 /nfs/dbraw/zinc/51/23/90/531512390.db2.gz ZXTINRXNLRHWIF-PELKAZGASA-N 1 0 385.218 1.410 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415690058 531514073 /nfs/dbraw/zinc/51/40/73/531514073.db2.gz 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O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000590542030 531689569 /nfs/dbraw/zinc/68/95/69/531689569.db2.gz XGVHSMYCSVYDIA-AWEZNQCLSA-N 1 0 397.273 1.406 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000590551492 531690428 /nfs/dbraw/zinc/69/04/28/531690428.db2.gz YKUYPPWQVDOUIC-WCQYABFASA-N 1 0 398.257 1.947 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000619489309 531708051 /nfs/dbraw/zinc/70/80/51/531708051.db2.gz SGESNIQKMJACHW-AWEZNQCLSA-N 1 0 375.472 1.319 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000591449934 531724221 /nfs/dbraw/zinc/72/42/21/531724221.db2.gz NZPAYLWDUVJALM-PELKAZGASA-N 1 0 376.232 1.340 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000591328825 531716876 /nfs/dbraw/zinc/71/68/76/531716876.db2.gz QDJPINBRBVHYMK-SKDRFNHKSA-N 1 0 379.360 1.938 20 5 GDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000592180119 531769637 /nfs/dbraw/zinc/76/96/37/531769637.db2.gz JRINROMQHGWFDJ-AWEZNQCLSA-N 1 0 383.202 1.531 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000592386829 531784300 /nfs/dbraw/zinc/78/43/00/531784300.db2.gz BGKPPXWRRGJJLN-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000562995417 531795246 /nfs/dbraw/zinc/79/52/46/531795246.db2.gz SDWDOLJYQWEWLN-LLVKDONJSA-N 1 0 376.200 1.523 20 5 GDBDRO O=C(CN1CC[NH2+]C[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1Br ZINC000563150256 531812307 /nfs/dbraw/zinc/81/23/07/531812307.db2.gz JCDJGSXQNBPBQB-LLVKDONJSA-N 1 0 393.188 1.835 20 5 GDBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595253490 531873193 /nfs/dbraw/zinc/87/31/93/531873193.db2.gz WPEYLOIPLPUPLT-UHFFFAOYSA-N 1 0 383.202 1.246 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000595405780 531880893 /nfs/dbraw/zinc/88/08/93/531880893.db2.gz ZZWBHPRSOINRPW-ZDUSSCGKSA-N 1 0 375.422 1.465 20 5 GDBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000270565063 531895108 /nfs/dbraw/zinc/89/51/08/531895108.db2.gz LQOCPOCOENNUIW-WCQYABFASA-N 1 0 375.472 1.270 20 5 GDBDRO Cc1cc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc([N+](=O)[O-])c1F ZINC000271431175 532015099 /nfs/dbraw/zinc/01/50/99/532015099.db2.gz NAIFVIIWKWYPLJ-CQSZACIVSA-N 1 0 377.463 1.758 20 5 GDBDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(N)=O ZINC000459477285 532016487 /nfs/dbraw/zinc/01/64/87/532016487.db2.gz HSTXWWYZUPDMLR-CQSZACIVSA-N 1 0 387.234 1.785 20 5 GDBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000301519948 532035171 /nfs/dbraw/zinc/03/51/71/532035171.db2.gz GNPMIUDEWHTCIS-JTQLQIEISA-N 1 0 386.250 1.752 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000579721250 532065529 /nfs/dbraw/zinc/06/55/29/532065529.db2.gz XYAHNQKOURTFOL-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO CS(=O)(=O)N1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602513053 532078397 /nfs/dbraw/zinc/07/83/97/532078397.db2.gz YZSWTBJWIQMAMK-UHFFFAOYSA-N 1 0 398.304 1.932 20 5 GDBDRO O=C(CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)N1CCOCC1 ZINC000602521710 532078920 /nfs/dbraw/zinc/07/89/20/532078920.db2.gz QKTVGIGWFJZRIQ-UHFFFAOYSA-N 1 0 378.248 1.757 20 5 GDBDRO CC(C)NC(=O)CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425383780 532136446 /nfs/dbraw/zinc/13/64/46/532136446.db2.gz LRQQRTXFHBZGRN-UHFFFAOYSA-N 1 0 399.289 2.000 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c(Br)c1 ZINC000331775898 532152804 /nfs/dbraw/zinc/15/28/04/532152804.db2.gz CEAYPOBLEFMXPF-JOYOIKCWSA-N 1 0 390.259 1.730 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000375372728 532161488 /nfs/dbraw/zinc/16/14/88/532161488.db2.gz FPEXRKFTYQRGQD-UHFFFAOYSA-N 1 0 397.229 1.602 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000376775875 532228803 /nfs/dbraw/zinc/22/88/03/532228803.db2.gz GFDHJRRQVPDYEM-LBPRGKRZSA-N 1 0 388.877 1.225 20 5 GDBDRO CN(C)CC[N@H+](C)CCCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000288605560 532298751 /nfs/dbraw/zinc/29/87/51/532298751.db2.gz KCPBPSUXWLMIEA-UHFFFAOYSA-N 1 0 376.454 1.238 20 5 GDBDRO CS[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H]1[NH+]1CCCC1 ZINC000275539435 532299196 /nfs/dbraw/zinc/29/91/96/532299196.db2.gz ZXMAESVJVIBKTQ-HUUCEWRRSA-N 1 0 386.499 1.258 20 5 GDBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736853365 598895539 /nfs/dbraw/zinc/89/55/39/598895539.db2.gz XOEPIPNLCWFESS-HNNXBMFYSA-N 1 0 386.460 1.380 20 5 GDBDRO CCOCC[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821378985 599535266 /nfs/dbraw/zinc/53/52/66/599535266.db2.gz ZDJHZWZIEPRSSY-UHFFFAOYSA-N 1 0 398.427 1.482 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c1 ZINC000823640196 606772393 /nfs/dbraw/zinc/77/23/93/606772393.db2.gz WXVBBYQHKVAQIS-VIFPVBQESA-N 1 0 389.807 1.456 20 5 GDBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000826501026 607849869 /nfs/dbraw/zinc/84/98/69/607849869.db2.gz WFRGRUUQOODMTK-CQSZACIVSA-N 1 0 388.432 1.251 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000567670184 650913914 /nfs/dbraw/zinc/91/39/14/650913914.db2.gz SWGDRKFNBRJWFK-SECBINFHSA-N 1 0 389.193 1.990 20 5 GDBDRO CC(C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000119855630 644663405 /nfs/dbraw/zinc/66/34/05/644663405.db2.gz ZOVMIHAQQZEAEK-CYBMUJFWSA-N 1 0 376.504 1.207 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000119907141 644663890 /nfs/dbraw/zinc/66/38/90/644663890.db2.gz VYHLRULERYJMSF-UHFFFAOYSA-N 1 0 389.499 1.922 20 5 GDBDRO CC(C)OCC[NH+]1CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119917601 644663988 /nfs/dbraw/zinc/66/39/88/644663988.db2.gz UYHPGZHCRFDKSK-UHFFFAOYSA-N 1 0 377.488 1.824 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000178941674 644929703 /nfs/dbraw/zinc/92/97/03/644929703.db2.gz VTMAHRNPIGNFSC-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000261717585 645115619 /nfs/dbraw/zinc/11/56/19/645115619.db2.gz WGOFUZCWBMRJDY-ZETCQYMHSA-N 1 0 396.263 1.561 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000420478090 645944785 /nfs/dbraw/zinc/94/47/85/645944785.db2.gz WBAPZNFGKKEJIV-UFBFGSQYSA-N 1 0 378.248 1.776 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)CC(F)(F)F ZINC000420970363 645976422 /nfs/dbraw/zinc/97/64/22/645976422.db2.gz FJSRHHFRVNSBEN-LLVKDONJSA-N 1 0 385.364 1.118 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422558870 646078941 /nfs/dbraw/zinc/07/89/41/646078941.db2.gz ZWFBDFVQUKDWEC-DCAQKATOSA-N 1 0 375.422 1.736 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000462490805 647530483 /nfs/dbraw/zinc/53/04/83/647530483.db2.gz PDISHWFHHNTTFC-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO [NH3+]CC[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000516569433 648526724 /nfs/dbraw/zinc/52/67/24/648526724.db2.gz NIXULVVQBFPTFP-SECBINFHSA-N 1 0 382.726 1.374 20 5 GDBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000582546244 652003724 /nfs/dbraw/zinc/00/37/24/652003724.db2.gz IFOLIIUVAFCTBJ-MRVPVSSYSA-N 1 0 396.263 1.690 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCNc2ncc(Cl)cc2Cl)c1 ZINC000591726535 652164123 /nfs/dbraw/zinc/16/41/23/652164123.db2.gz IWKOCBLWIMPZSC-LLVKDONJSA-N 1 0 375.216 1.556 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CCO1 ZINC000592375105 652184429 /nfs/dbraw/zinc/18/44/29/652184429.db2.gz SPKMRXPDBCWFDP-KCJUWKMLSA-N 1 0 394.247 1.094 20 5 GDBDRO O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000593728480 652244247 /nfs/dbraw/zinc/24/42/47/652244247.db2.gz LQPLNHGHJURWKN-UONOGXRCSA-N 1 0 399.245 1.359 20 5 GDBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593920057 652262525 /nfs/dbraw/zinc/26/25/25/652262525.db2.gz JUGPZWSNVWBNBY-WPRPVWTQSA-N 1 0 378.248 1.858 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991989 652431862 /nfs/dbraw/zinc/43/18/62/652431862.db2.gz MWSODOVMMBHTFW-ZDUSSCGKSA-N 1 0 389.193 1.990 20 5 GDBDRO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599896702 652517322 /nfs/dbraw/zinc/51/73/22/652517322.db2.gz RCPQQUMPRPLALJ-WPRPVWTQSA-N 1 0 385.218 1.553 20 5 GDBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939250 652519265 /nfs/dbraw/zinc/51/92/65/652519265.db2.gz UCNLNLUYSUPUIT-NWDGAFQWSA-N 1 0 384.230 1.638 20 5 GDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601396079 652575534 /nfs/dbraw/zinc/57/55/34/652575534.db2.gz AGCDJLLLEQALEW-NSHDSACASA-N 1 0 376.504 1.269 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000835796414 655119961 /nfs/dbraw/zinc/11/99/61/655119961.db2.gz VQVMPEGGVWYGRS-RNCFNFMXSA-N 1 0 397.229 1.458 20 5 GDBDRO C[NH+](C)CCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000768295766 655317798 /nfs/dbraw/zinc/31/77/98/655317798.db2.gz KPBOISMTJMGKFM-UHFFFAOYSA-N 1 0 385.837 1.527 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 ZINC000841524574 655337095 /nfs/dbraw/zinc/33/70/95/655337095.db2.gz PLQSJDZFAKHLNK-MRVPVSSYSA-N 1 0 396.238 1.726 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1[NH3+] ZINC000842720576 655373379 /nfs/dbraw/zinc/37/33/79/655373379.db2.gz XSTRMQRHTQEJMW-KCJUWKMLSA-N 1 0 378.248 1.715 20 5 GDBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000842795378 655377662 /nfs/dbraw/zinc/37/76/62/655377662.db2.gz OLQUZJFKFOBUPS-UHFFFAOYSA-N 1 0 390.259 1.906 20 5 GDBDRO COC[C@]1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CCC[NH2+]1 ZINC000842859360 655381281 /nfs/dbraw/zinc/38/12/81/655381281.db2.gz JEOSHBNIBJAHTN-CQSZACIVSA-N 1 0 377.850 1.604 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000846230392 655450131 /nfs/dbraw/zinc/45/01/31/655450131.db2.gz QVDDORSKGMIAJA-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO COCC[NH2+]C1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000846230254 655450136 /nfs/dbraw/zinc/45/01/36/655450136.db2.gz QLWMUUKRLYELPJ-UHFFFAOYSA-N 1 0 375.422 1.431 20 5 GDBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F)n1 ZINC000850517750 655557084 /nfs/dbraw/zinc/55/70/84/655557084.db2.gz AMGXDDDDKFKFBH-QWRGUYRKSA-N 1 0 384.380 1.842 20 5 GDBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc([N+](=O)[O-])ccc1I ZINC000852858696 655624141 /nfs/dbraw/zinc/62/41/41/655624141.db2.gz HARCYBXYFBEFGQ-UHFFFAOYSA-N 1 0 387.177 1.763 20 5 GDBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C2 ZINC000857236508 655731683 /nfs/dbraw/zinc/73/16/83/655731683.db2.gz ZZOVNPVHRBUKIR-RNCFNFMXSA-N 1 0 390.259 1.859 20 5 GDBDRO C[NH+]1CCN(C2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000866213333 655936201 /nfs/dbraw/zinc/93/62/01/655936201.db2.gz UNLYPASGJWFKSS-UHFFFAOYSA-N 1 0 388.515 1.276 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000866791818 655964104 /nfs/dbraw/zinc/96/41/04/655964104.db2.gz LIFYVUBRGKMOIF-DTORHVGOSA-N 1 0 376.232 1.482 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)c(Br)c1 ZINC000866826884 655967578 /nfs/dbraw/zinc/96/75/78/655967578.db2.gz DZBOVJWTIUOCKQ-NEPJUHHUSA-N 1 0 390.259 1.872 20 5 GDBDRO O=C1OC[C@]2(C[NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)COCCN12 ZINC000872261430 656321909 /nfs/dbraw/zinc/32/19/09/656321909.db2.gz PYVSVEZNKXOTEE-LBPRGKRZSA-N 1 0 392.231 1.730 20 5 GDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000886890339 657719145 /nfs/dbraw/zinc/71/91/45/657719145.db2.gz FSMWBKJIZQKQHL-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896556525 658789174 /nfs/dbraw/zinc/78/91/74/658789174.db2.gz PTCCZBKXIMMEAW-ABAIWWIYSA-N 1 0 399.289 1.650 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(C)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164853842 720833718 /nfs/dbraw/zinc/83/37/18/720833718.db2.gz PSJKPZGJHXWAOF-CHWSQXEVSA-N 1 0 385.852 1.520 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC[C@@H]2C1 ZINC001164852628 720866043 /nfs/dbraw/zinc/86/60/43/720866043.db2.gz DWJZDRHKPUOQMW-CZUORRHYSA-N 1 0 375.429 1.645 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164773914 721142049 /nfs/dbraw/zinc/14/20/49/721142049.db2.gz ZDJYCHXWELOBDM-KBPBESRZSA-N 1 0 392.847 1.573 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc(F)cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164887167 721393124 /nfs/dbraw/zinc/39/31/24/721393124.db2.gz HGKZSLNWLIQWDS-APWZRJJASA-N 1 0 393.463 1.894 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4N)C3)O2)CC1 ZINC001164892301 721431577 /nfs/dbraw/zinc/43/15/77/721431577.db2.gz IBYWMZBFZGUIRE-APWZRJJASA-N 1 0 390.488 1.337 20 5 GDBDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])cc2F)CC3)CC1 ZINC001164794346 721511670 /nfs/dbraw/zinc/51/16/70/721511670.db2.gz OSQZMQOXZIWWAI-UHFFFAOYSA-N 1 0 375.408 1.093 20 5 GDBDRO COc1cc2ncnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2cc1[N+](=O)[O-] ZINC001164928594 721864738 /nfs/dbraw/zinc/86/47/38/721864738.db2.gz YWFSYYOHYYVWNS-HOTGVXAUSA-N 1 0 386.456 1.761 20 5 GDBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(-c2nn[nH]n2)c1 ZINC000823651204 946462439 /nfs/dbraw/zinc/46/24/39/946462439.db2.gz IEUHKNWGBDMTNP-LSDHHAIUSA-N 1 0 388.432 1.350 20 5 GDBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000158992598 530538619 /nfs/dbraw/zinc/53/86/19/530538619.db2.gz BEXYKKWRUCHJFI-UHFFFAOYSA-N 1 0 391.877 1.682 20 5 GDBDRO CC1CC[NH+](C[C@@H](O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000161658950 530563374 /nfs/dbraw/zinc/56/33/74/530563374.db2.gz IWJSSUSYHLYZFD-ZDUSSCGKSA-N 1 0 391.877 1.619 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000162051061 530565851 /nfs/dbraw/zinc/56/58/51/530565851.db2.gz VNPCVDYHLWQHED-UHFFFAOYSA-N 1 0 399.245 1.768 20 5 GDBDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000190908709 530939891 /nfs/dbraw/zinc/93/98/91/530939891.db2.gz GEEAPBVQIYMSRH-LBPRGKRZSA-N 1 0 390.893 1.553 20 5 GDBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000122550601 530973428 /nfs/dbraw/zinc/97/34/28/530973428.db2.gz AOQNFYNIWNNNIJ-NSHDSACASA-N 1 0 376.866 1.162 20 5 GDBDRO C[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000193744603 530992024 /nfs/dbraw/zinc/99/20/24/530992024.db2.gz YVVPXYIKXCHLHK-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000125043357 531002418 /nfs/dbraw/zinc/00/24/18/531002418.db2.gz KTXOSDCERBHIEU-RDDDGLTNSA-N 1 0 384.241 1.638 20 5 GDBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000151603702 531140609 /nfs/dbraw/zinc/14/06/09/531140609.db2.gz MFSHXEPPGAKPBJ-ZDUSSCGKSA-N 1 0 398.261 1.495 20 5 GDBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000158060836 531207565 /nfs/dbraw/zinc/20/75/65/531207565.db2.gz QXAMECOSXABTLU-GFCCVEGCSA-N 1 0 390.893 1.410 20 5 GDBDRO CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000290429211 531231385 /nfs/dbraw/zinc/23/13/85/531231385.db2.gz KDYLMDMIPQACMQ-UHFFFAOYSA-N 1 0 399.245 1.896 20 5 GDBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291537998 531297568 /nfs/dbraw/zinc/29/75/68/531297568.db2.gz ONRLPKVVZIFAQN-LBPRGKRZSA-N 1 0 389.239 1.971 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440804238 531344563 /nfs/dbraw/zinc/34/45/63/531344563.db2.gz NLQFQOVOKXOUBK-LDYMZIIASA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000447242703 531421456 /nfs/dbraw/zinc/42/14/56/531421456.db2.gz DFPHSYMKKGSFRX-DTWKUNHWSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000447249085 531422934 /nfs/dbraw/zinc/42/29/34/531422934.db2.gz WJEPIMNFXNGFAW-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000447254966 531423661 /nfs/dbraw/zinc/42/36/61/531423661.db2.gz IFCLYBBRTAUCAC-HQJQHLMTSA-N 1 0 378.248 1.633 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415352016 531477863 /nfs/dbraw/zinc/47/78/63/531477863.db2.gz JILFSJZTUIRFQB-VIFPVBQESA-N 1 0 385.218 1.411 20 5 GDBDRO NC(=O)c1ccc(SCC(=O)N[C@H](CC[NH3+])C(F)(F)F)c([N+](=O)[O-])c1 ZINC000449726762 531475446 /nfs/dbraw/zinc/47/54/46/531475446.db2.gz YGYGWLIBZXYYCD-SNVBAGLBSA-N 1 0 380.348 1.182 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415265517 531469163 /nfs/dbraw/zinc/46/91/63/531469163.db2.gz FEXCFPFEOKSPAV-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415286297 531471611 /nfs/dbraw/zinc/47/16/11/531471611.db2.gz TXWWHHTZRQEMST-JTQLQIEISA-N 1 0 399.245 1.754 20 5 GDBDRO CCCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000415394382 531482326 /nfs/dbraw/zinc/48/23/26/531482326.db2.gz QHJZFCFOJOKJGM-LBPRGKRZSA-N 1 0 399.245 1.896 20 5 GDBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)s1 ZINC000294727452 531493468 /nfs/dbraw/zinc/49/34/68/531493468.db2.gz GBLWEIAEHFZWRO-MRXNPFEDSA-N 1 0 382.463 1.963 20 5 GDBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000415500042 531491237 /nfs/dbraw/zinc/49/12/37/531491237.db2.gz RUIGTRZLEGOWJI-NSHDSACASA-N 1 0 399.245 1.815 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000363637846 531497338 /nfs/dbraw/zinc/49/73/38/531497338.db2.gz OOINOCIXOCDJTI-UHFFFAOYSA-N 1 0 389.499 1.779 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415601868 531501301 /nfs/dbraw/zinc/50/13/01/531501301.db2.gz LUDBFIGMSJTWGC-HNNXBMFYSA-N 1 0 397.229 1.508 20 5 GDBDRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000552746856 531558078 /nfs/dbraw/zinc/55/80/78/531558078.db2.gz MXCRYUKIOWGEMT-SNVBAGLBSA-N 1 0 399.245 1.706 20 5 GDBDRO C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000560182036 531630328 /nfs/dbraw/zinc/63/03/28/531630328.db2.gz FCIQTXFNBSWSBB-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000416498147 531648790 /nfs/dbraw/zinc/64/87/90/531648790.db2.gz WRLYJSHFSBJKAC-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000619493858 531708749 /nfs/dbraw/zinc/70/87/49/531708749.db2.gz CFPJTTMMLXWYPH-RYUDHWBXSA-N 1 0 375.472 1.270 20 5 GDBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000563642976 531858705 /nfs/dbraw/zinc/85/87/05/531858705.db2.gz RIVYPPZOWRBCCX-CYBMUJFWSA-N 1 0 399.245 1.752 20 5 GDBDRO CC[NH+]1CCN([C@H]2CCN(c3c(Br)cncc3[N+](=O)[O-])C2)CC1 ZINC000270988073 531951414 /nfs/dbraw/zinc/95/14/14/531951414.db2.gz UAAHUNODFGGRLN-LBPRGKRZSA-N 1 0 384.278 1.969 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000271103231 531966817 /nfs/dbraw/zinc/96/68/17/531966817.db2.gz OAWXOGDUSIPMNW-VXGBXAGGSA-N 1 0 379.891 1.914 20 5 GDBDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000599002488 532002593 /nfs/dbraw/zinc/00/25/93/532002593.db2.gz CFZMORJTENTNIP-CZMCAQCFSA-N 1 0 375.166 1.553 20 5 GDBDRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000599101097 532004797 /nfs/dbraw/zinc/00/47/97/532004797.db2.gz MFZHXERFOGUUJV-WCQYABFASA-N 1 0 381.376 1.884 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2COCCO2)c1 ZINC000577905041 532041421 /nfs/dbraw/zinc/04/14/21/532041421.db2.gz KPSJMSOKWHNLFR-LBPRGKRZSA-N 1 0 378.166 1.704 20 5 GDBDRO O=C(CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000425384354 532136069 /nfs/dbraw/zinc/13/60/69/532136069.db2.gz LXKDWDXPOAYCKU-UHFFFAOYSA-N 1 0 397.273 1.754 20 5 GDBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000332417582 532185382 /nfs/dbraw/zinc/18/53/82/532185382.db2.gz OAPQSODZJHSLNR-SMDDNHRTSA-N 1 0 375.472 1.563 20 5 GDBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000289351147 532321987 /nfs/dbraw/zinc/32/19/87/532321987.db2.gz LACACHUSRFMFPR-UHFFFAOYSA-N 1 0 394.209 1.622 20 5 GDBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)nnc1[C@H]1CCC[NH2+]C1 ZINC000737593131 599266836 /nfs/dbraw/zinc/26/68/36/599266836.db2.gz QZFYDEUDSPHGNF-VIFPVBQESA-N 1 0 387.429 1.522 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000823645203 599555957 /nfs/dbraw/zinc/55/59/57/599555957.db2.gz PLMQKTCJAOMRRX-UHFFFAOYSA-N 1 0 380.412 1.998 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823639865 599689424 /nfs/dbraw/zinc/68/94/24/599689424.db2.gz JPFUVMSBHZXEQA-UHFFFAOYSA-N 1 0 387.444 1.856 20 5 GDBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000823620878 607165488 /nfs/dbraw/zinc/16/54/88/607165488.db2.gz RTIRPCALTHVCGA-UHFFFAOYSA-N 1 0 380.412 1.535 20 5 GDBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824572414 608468373 /nfs/dbraw/zinc/46/83/73/608468373.db2.gz UXALNXUZAUUTJW-BLLLJJGKSA-N 1 0 384.396 1.865 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000566206576 650834489 /nfs/dbraw/zinc/83/44/89/650834489.db2.gz QMWOJCZUGFDCBI-QMMMGPOBSA-N 1 0 389.193 1.942 20 5 GDBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039598 644321235 /nfs/dbraw/zinc/32/12/35/644321235.db2.gz LEQHOVSJLKOLAM-UHFFFAOYSA-N 1 0 380.264 1.977 20 5 GDBDRO CN(CCN(C)S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000119613915 644660054 /nfs/dbraw/zinc/66/00/54/644660054.db2.gz ICMCOLCENZUTEC-UHFFFAOYSA-N 1 0 376.504 1.303 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cs1 ZINC000120033385 644666422 /nfs/dbraw/zinc/66/64/22/644666422.db2.gz DBQQYZKEWBCNHB-UONOGXRCSA-N 1 0 389.499 1.703 20 5 GDBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000125180283 644712617 /nfs/dbraw/zinc/71/26/17/644712617.db2.gz GOJAYEGGNXOXLA-RKDXNWHRSA-N 1 0 378.248 1.906 20 5 GDBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000178937786 644929066 /nfs/dbraw/zinc/92/90/66/644929066.db2.gz TVNWSMCZTKZTFY-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000237316817 645084885 /nfs/dbraw/zinc/08/48/85/645084885.db2.gz YRKSWYIRBDCYGI-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000238018724 645089434 /nfs/dbraw/zinc/08/94/34/645089434.db2.gz XKWUGIZXWKDVLZ-WPRPVWTQSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000262800441 645139487 /nfs/dbraw/zinc/13/94/87/645139487.db2.gz QQTGFVNMNMDFMZ-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415421872 645894117 /nfs/dbraw/zinc/89/41/17/645894117.db2.gz YPZMYLDPOORQJZ-QMMMGPOBSA-N 1 0 385.218 1.425 20 5 GDBDRO [NH3+]C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CCCO1 ZINC000420382667 645942135 /nfs/dbraw/zinc/94/21/35/645942135.db2.gz DXBLFIDCOYSKJF-LLVKDONJSA-N 1 0 387.234 1.345 20 5 GDBDRO Cc1c(Br)c(NCCN2CC[N@@H+](C)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000440677821 646251504 /nfs/dbraw/zinc/25/15/04/646251504.db2.gz UAWXVBWZSTZRKB-UHFFFAOYSA-N 1 0 386.294 2.499 20 5 GDBDRO O=C1CCC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)N1 ZINC000589317503 652112169 /nfs/dbraw/zinc/11/21/69/652112169.db2.gz PFDCPCMGXKUKRF-NSHDSACASA-N 1 0 389.193 1.958 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)[C@H]2C1 ZINC000589926752 652121327 /nfs/dbraw/zinc/12/13/27/652121327.db2.gz ZVNLENYJQGXXKP-SKDRFNHKSA-N 1 0 379.360 1.938 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594106003 652269555 /nfs/dbraw/zinc/26/95/55/652269555.db2.gz MTPHESIIBZXONW-QWHCGFSZSA-N 1 0 385.218 1.640 20 5 GDBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000612429250 652935496 /nfs/dbraw/zinc/93/54/96/652935496.db2.gz OYOKSJVJRJNGGP-UHFFFAOYSA-N 1 0 396.263 1.214 20 5 GDBDRO C[S@@](=O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000612591655 652939473 /nfs/dbraw/zinc/93/94/73/652939473.db2.gz MCFPIBVCDRISHW-XMMPIXPASA-N 1 0 382.463 1.896 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746644906 654766032 /nfs/dbraw/zinc/76/60/32/654766032.db2.gz CUXHGVZOMQXBCI-KGYLQXTDSA-N 1 0 388.266 1.695 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000706033273 654833797 /nfs/dbraw/zinc/83/37/97/654833797.db2.gz SGGMIHQQFBGFLR-PRHODGIISA-N 1 0 389.193 1.927 20 5 GDBDRO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])ccc1I ZINC000715586334 654836509 /nfs/dbraw/zinc/83/65/09/654836509.db2.gz RDGBXRCXCNROCK-UHFFFAOYSA-N 1 0 387.177 1.777 20 5 GDBDRO C[NH+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787812910 654972967 /nfs/dbraw/zinc/97/29/67/654972967.db2.gz QYZOTVOFCSICSD-UHFFFAOYSA-N 1 0 378.170 1.883 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000832272410 655025242 /nfs/dbraw/zinc/02/52/42/655025242.db2.gz KBXWVBRQTRNRHX-RNCFNFMXSA-N 1 0 390.259 1.682 20 5 GDBDRO CC[NH+](CC)CCOCCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000758582746 655065759 /nfs/dbraw/zinc/06/57/59/655065759.db2.gz MCJBUHGXAYQITJ-UHFFFAOYSA-N 1 0 377.438 1.679 20 5 GDBDRO Cn1c(Cl)cnc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000809727862 655136035 /nfs/dbraw/zinc/13/60/35/655136035.db2.gz ABAARYWTWMPQQP-UHFFFAOYSA-N 1 0 387.849 1.351 20 5 GDBDRO C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000810352992 655156009 /nfs/dbraw/zinc/15/60/09/655156009.db2.gz QHQQIGGPDATLER-UHFFFAOYSA-N 1 0 399.245 1.848 20 5 GDBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841233655 655316154 /nfs/dbraw/zinc/31/61/54/655316154.db2.gz BUKFUAAWJWCALX-AWEZNQCLSA-N 1 0 385.218 1.493 20 5 GDBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000841525008 655337171 /nfs/dbraw/zinc/33/71/71/655337171.db2.gz SLFUFQPYDVHWGY-SECBINFHSA-N 1 0 378.248 1.587 20 5 GDBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000817402469 655351672 /nfs/dbraw/zinc/35/16/72/655351672.db2.gz UKVKRSYBYUSWIE-NSHDSACASA-N 1 0 399.245 1.848 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000842480009 655366793 /nfs/dbraw/zinc/36/67/93/655366793.db2.gz MEJDSYPRGXFKFZ-BDAKNGLRSA-N 1 0 378.248 1.763 20 5 GDBDRO CC1(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000842482269 655367303 /nfs/dbraw/zinc/36/73/03/655367303.db2.gz YQXMQMQXRKRIQZ-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000842726403 655373870 /nfs/dbraw/zinc/37/38/70/655373870.db2.gz FVNGQXKSBHFIEO-SCZZXKLOSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842832675 655380172 /nfs/dbraw/zinc/38/01/72/655380172.db2.gz CUIIMRRZFVPNPD-LDYMZIIASA-N 1 0 378.248 1.634 20 5 GDBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819180388 655387751 /nfs/dbraw/zinc/38/77/51/655387751.db2.gz QQRFMPAZJWIEEM-CQSZACIVSA-N 1 0 385.467 1.566 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000851851680 655599738 /nfs/dbraw/zinc/59/97/38/655599738.db2.gz DFPQBRKURCBZEG-ZDUSSCGKSA-N 1 0 389.861 1.468 20 5 GDBDRO Cn1cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(Cl)n1 ZINC000857046147 655726523 /nfs/dbraw/zinc/72/65/23/655726523.db2.gz IREWJTXLOGDMAT-UHFFFAOYSA-N 1 0 387.849 1.351 20 5 GDBDRO CC1([NH+]2CCOCC2)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000863314050 655865740 /nfs/dbraw/zinc/86/57/40/655865740.db2.gz ADENTCHOIVFFJK-UHFFFAOYSA-N 1 0 388.266 1.698 20 5 GDBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000863322579 655865918 /nfs/dbraw/zinc/86/59/18/655865918.db2.gz ZHOXZAGLGITYLX-SECBINFHSA-N 1 0 376.182 1.293 20 5 GDBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC2)cn1 ZINC000877622055 656684034 /nfs/dbraw/zinc/68/40/34/656684034.db2.gz DSYXDQGBSWSFKX-RUZDIDTESA-N 1 0 380.392 1.859 20 5 GDBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896549088 658788467 /nfs/dbraw/zinc/78/84/67/658788467.db2.gz MPPVQXMCMHDYEK-ZWNOBZJWSA-N 1 0 385.262 1.721 20 5 GDBDRO O=c1c2c(ncn1Cc1c(Br)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000899633230 659038282 /nfs/dbraw/zinc/03/82/82/659038282.db2.gz QUDSTOGBWSMIAA-UHFFFAOYSA-N 1 0 379.214 1.651 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000900595809 659125447 /nfs/dbraw/zinc/12/54/47/659125447.db2.gz QEVKSUQLYNSAGX-UHFFFAOYSA-N 1 0 395.261 1.445 20 5 GDBDRO O=C(NC12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cc1I ZINC000913628437 660090316 /nfs/dbraw/zinc/09/03/16/660090316.db2.gz HQLDLXNEDGKBLS-UHFFFAOYSA-N 1 0 387.177 1.777 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164747132 720725679 /nfs/dbraw/zinc/72/56/79/720725679.db2.gz ZZJCWRMZRHDNQV-OLZOCXBDSA-N 1 0 392.803 1.014 20 5 GDBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164928033 721851766 /nfs/dbraw/zinc/85/17/66/721851766.db2.gz MRPLAVDUGIAGNJ-GHMZBOCLSA-N 1 0 386.909 1.975 20 5 GDBDRO Nc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164979034 722125483 /nfs/dbraw/zinc/12/54/83/722125483.db2.gz OTCITKPLHCXBSW-YJBOKZPZSA-N 1 0 384.440 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000158933296 530537267 /nfs/dbraw/zinc/53/72/67/530537267.db2.gz DCVQKSUHRFFZKD-GFCCVEGCSA-N 1 0 377.850 1.373 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000172207445 530609572 /nfs/dbraw/zinc/60/95/72/530609572.db2.gz PLAUZEPMPRMXIA-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC000183918690 530821768 /nfs/dbraw/zinc/82/17/68/530821768.db2.gz NJLQOSBYXLQXCN-UONOGXRCSA-N 1 0 385.218 1.238 20 5 GDBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000108406572 530857705 /nfs/dbraw/zinc/85/77/05/530857705.db2.gz IMTIEJOWQSXXDQ-JTQLQIEISA-N 1 0 392.275 1.977 20 5 GDBDRO C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123450191 530983494 /nfs/dbraw/zinc/98/34/94/530983494.db2.gz MGWLXANEWRJFLJ-COLVAYQJSA-N 1 0 399.245 1.626 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000124004525 530990122 /nfs/dbraw/zinc/99/01/22/530990122.db2.gz FXILQXFXTDHYOS-GFCCVEGCSA-N 1 0 390.893 1.471 20 5 GDBDRO C[NH+](C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000134956098 531106040 /nfs/dbraw/zinc/10/60/40/531106040.db2.gz FUHXGVFFABCZHW-UHFFFAOYSA-N 1 0 375.166 1.585 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000262751726 531128855 /nfs/dbraw/zinc/12/88/55/531128855.db2.gz GRAZAUCTMWGTTG-QPUJVOFHSA-N 1 0 392.275 1.942 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000154337866 531182184 /nfs/dbraw/zinc/18/21/84/531182184.db2.gz DERBHCVKNIBAQF-CYBMUJFWSA-N 1 0 390.259 1.731 20 5 GDBDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000290780015 531255884 /nfs/dbraw/zinc/25/58/84/531255884.db2.gz LQQUHHKTBWZJHJ-UHFFFAOYSA-N 1 0 385.218 1.506 20 5 GDBDRO C[C@H]1CSCCN1c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265615662 531270776 /nfs/dbraw/zinc/27/07/76/531270776.db2.gz WCPVFAQGOHODJW-LBPRGKRZSA-N 1 0 388.515 1.376 20 5 GDBDRO CS[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000527073329 531312775 /nfs/dbraw/zinc/31/27/75/531312775.db2.gz JVLIGRXUONTOCG-ZIAGYGMSSA-N 1 0 386.499 1.258 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440816655 531346068 /nfs/dbraw/zinc/34/60/68/531346068.db2.gz ZCQXYVFMLQUQKO-KCJUWKMLSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440816656 531346581 /nfs/dbraw/zinc/34/65/81/531346581.db2.gz ZCQXYVFMLQUQKO-LDYMZIIASA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000482523768 531400273 /nfs/dbraw/zinc/40/02/73/531400273.db2.gz OCMUHYXDOZHLFL-UHFFFAOYSA-N 1 0 386.455 1.442 20 5 GDBDRO COc1ccc(S(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000267247010 531414617 /nfs/dbraw/zinc/41/46/17/531414617.db2.gz YZSMZNXBAAFZQH-CQSZACIVSA-N 1 0 375.472 1.319 20 5 GDBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415379982 531481645 /nfs/dbraw/zinc/48/16/45/531481645.db2.gz RYJPOPLWMGKZMD-NSHDSACASA-N 1 0 399.245 1.815 20 5 GDBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000415398830 531482361 /nfs/dbraw/zinc/48/23/61/531482361.db2.gz LLAUMXRAGOSLHI-UHFFFAOYSA-N 1 0 399.245 1.754 20 5 GDBDRO O=C1CC[C@@H]([NH+]2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891593 531518963 /nfs/dbraw/zinc/51/89/63/531518963.db2.gz KOMBMDXJJNWXIW-GFCCVEGCSA-N 1 0 398.261 1.543 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415624797 531504954 /nfs/dbraw/zinc/50/49/54/531504954.db2.gz OLJWTJOMFGKVEH-QPUJVOFHSA-N 1 0 399.245 1.718 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415831057 531539132 /nfs/dbraw/zinc/53/91/32/531539132.db2.gz HAIJNRRTAGXQIJ-KOLCDFICSA-N 1 0 399.245 1.848 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000281071378 531576479 /nfs/dbraw/zinc/57/64/79/531576479.db2.gz KTKIITRVNVEYSY-JTQLQIEISA-N 1 0 399.245 1.672 20 5 GDBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000583574993 531584755 /nfs/dbraw/zinc/58/47/55/531584755.db2.gz OXTFRTFSEVZTLY-SECBINFHSA-N 1 0 387.234 1.153 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000281285867 531599933 /nfs/dbraw/zinc/59/99/33/531599933.db2.gz XQETXNULBQRQJU-UHFFFAOYSA-N 1 0 395.840 1.512 20 5 GDBDRO CSC1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000584689485 531625635 /nfs/dbraw/zinc/62/56/35/531625635.db2.gz PQXKBWVKPIGPNX-UHFFFAOYSA-N 1 0 387.527 1.884 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C1CC1 ZINC000591679173 531733742 /nfs/dbraw/zinc/73/37/42/531733742.db2.gz HVLSHSAZYYTGQM-UHFFFAOYSA-N 1 0 389.193 1.990 20 5 GDBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000592388075 531784602 /nfs/dbraw/zinc/78/46/02/531784602.db2.gz TYQYLJBSILPXET-WPRPVWTQSA-N 1 0 396.238 1.678 20 5 GDBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000563478725 531845326 /nfs/dbraw/zinc/84/53/26/531845326.db2.gz QYMJQNARCFUKIL-VIFPVBQESA-N 1 0 385.218 1.493 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCOCC1 ZINC000599105245 532005822 /nfs/dbraw/zinc/00/58/22/532005822.db2.gz XNVCFEXXZCXVTB-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Br)c1 ZINC000576509154 532024531 /nfs/dbraw/zinc/02/45/31/532024531.db2.gz REROTTNDXAIZRO-RISCZKNCSA-N 1 0 399.245 1.972 20 5 GDBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301915535 532041214 /nfs/dbraw/zinc/04/12/14/532041214.db2.gz DJEQPESGGOUVMZ-GFCCVEGCSA-N 1 0 398.261 1.671 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000376775874 532228824 /nfs/dbraw/zinc/22/88/24/532228824.db2.gz GFDHJRRQVPDYEM-GFCCVEGCSA-N 1 0 388.877 1.225 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000274856727 532237676 /nfs/dbraw/zinc/23/76/76/532237676.db2.gz VAJPHUBVMJKJEO-HZPDHXFCSA-N 1 0 385.511 1.936 20 5 GDBDRO CS[C@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1[NH+]1CCCC1 ZINC000275539430 532299583 /nfs/dbraw/zinc/29/95/83/532299583.db2.gz ZXMAESVJVIBKTQ-GJZGRUSLSA-N 1 0 386.499 1.258 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCOCCO)c1 ZINC000289539317 532327481 /nfs/dbraw/zinc/32/74/81/532327481.db2.gz PEJRTVWWYAARKQ-UHFFFAOYSA-N 1 0 380.182 1.688 20 5 GDBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736150181 598336293 /nfs/dbraw/zinc/33/62/93/598336293.db2.gz XGHDYXTVYLYENW-GFCCVEGCSA-N 1 0 375.433 1.304 20 5 GDBDRO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000821104448 599303166 /nfs/dbraw/zinc/30/31/66/599303166.db2.gz DGDYYPWBFVNUJA-INIZCTEOSA-N 1 0 386.416 1.245 20 5 GDBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000823629631 599689441 /nfs/dbraw/zinc/68/94/41/599689441.db2.gz CLTUXGOYWSXBFL-UHFFFAOYSA-N 1 0 387.444 1.856 20 5 GDBDRO CC(C)(CO)[NH+]1CCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819988111 606219402 /nfs/dbraw/zinc/21/94/02/606219402.db2.gz SYRJJPZVLDOHMK-UHFFFAOYSA-N 1 0 398.427 1.216 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+]([C@H]4CCOC4)CC3)cc(-c3nn[nH]n3)c2c1 ZINC000826499291 607849344 /nfs/dbraw/zinc/84/93/44/607849344.db2.gz CVCKXCSSOKEILQ-ZDUSSCGKSA-N 1 0 396.411 1.234 20 5 GDBDRO C[NH+](C)CCOc1cc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])ccn1 ZINC000825870453 608100433 /nfs/dbraw/zinc/10/04/33/608100433.db2.gz MZVNVCOUBWDCJY-UHFFFAOYSA-N 1 0 385.388 1.117 20 5 GDBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000173150279 644889006 /nfs/dbraw/zinc/88/90/06/644889006.db2.gz FUJFITLLJGEDHB-JTQLQIEISA-N 1 0 392.275 1.930 20 5 GDBDRO O=C(NCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1I ZINC000186371917 644992686 /nfs/dbraw/zinc/99/26/86/644992686.db2.gz NRIAPVXJHHDGMZ-UHFFFAOYSA-N 1 0 387.177 1.849 20 5 GDBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262773030 645138351 /nfs/dbraw/zinc/13/83/51/645138351.db2.gz JDVXQRUDQLFZHI-PSASIEDQSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000262784172 645139050 /nfs/dbraw/zinc/13/90/50/645139050.db2.gz PVRQUUWOMQTTSF-UHFFFAOYSA-N 1 0 382.236 1.172 20 5 GDBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)[C@H]1C ZINC000262803088 645139991 /nfs/dbraw/zinc/13/99/91/645139991.db2.gz VZNZWFAKMOWQGT-IUCAKERBSA-N 1 0 378.248 1.728 20 5 GDBDRO O=C(CN1CCC[C@H]2C[NH2+]C[C@H]21)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420344072 645940759 /nfs/dbraw/zinc/94/07/59/645940759.db2.gz RXILJJRGMITBIA-IINYFYTJSA-N 1 0 383.246 1.980 20 5 GDBDRO COc1c(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000440737872 646253354 /nfs/dbraw/zinc/25/33/54/646253354.db2.gz STHOQRMXSXNBPT-QMMMGPOBSA-N 1 0 394.247 1.396 20 5 GDBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000461906590 647503533 /nfs/dbraw/zinc/50/35/33/647503533.db2.gz ZNQWEFBLHCIMGQ-GFCCVEGCSA-N 1 0 378.248 1.715 20 5 GDBDRO CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000518365788 648594963 /nfs/dbraw/zinc/59/49/63/648594963.db2.gz PCZKWLCYWYYIOY-LBPRGKRZSA-N 1 0 386.451 1.589 20 5 GDBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000577491155 651732389 /nfs/dbraw/zinc/73/23/89/651732389.db2.gz JGHLJVDOOLTDJO-NSHDSACASA-N 1 0 377.182 1.913 20 5 GDBDRO COc1ccc(S(=O)(=O)NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000580862959 651944453 /nfs/dbraw/zinc/94/44/53/651944453.db2.gz GOVQCFJHOKIFLX-UHFFFAOYSA-N 1 0 389.499 1.709 20 5 GDBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC000582904191 652020453 /nfs/dbraw/zinc/02/04/53/652020453.db2.gz GEGFKFIPPDKRKD-MRVPVSSYSA-N 1 0 377.182 1.975 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000589296229 652111542 /nfs/dbraw/zinc/11/15/42/652111542.db2.gz UZEJYMKVEXKCMA-UHFFFAOYSA-N 1 0 389.499 1.709 20 5 GDBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc(Br)cc1[N+](=O)[O-] ZINC000591292432 652158783 /nfs/dbraw/zinc/15/87/83/652158783.db2.gz OLFMZCHOVDVNOO-LLVKDONJSA-N 1 0 399.245 1.863 20 5 GDBDRO Cc1c(NC(=O)C(=O)NCC[NH2+]C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591294677 652159220 /nfs/dbraw/zinc/15/92/20/652159220.db2.gz GHFHRYJXGSURKD-UHFFFAOYSA-N 1 0 385.218 1.472 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCO1 ZINC000592374747 652184450 /nfs/dbraw/zinc/18/44/50/652184450.db2.gz QDMHMGWLCGKBCF-PELKAZGASA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000592390256 652188271 /nfs/dbraw/zinc/18/82/71/652188271.db2.gz MBPIWQYTSWLNDF-IUCAKERBSA-N 1 0 382.211 1.336 20 5 GDBDRO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000594476713 652303527 /nfs/dbraw/zinc/30/35/27/652303527.db2.gz XNCBMXUSUKEKDF-JGZJWPJOSA-N 1 0 392.275 1.976 20 5 GDBDRO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000595404739 652417701 /nfs/dbraw/zinc/41/77/01/652417701.db2.gz MGBQHCACZNOYQW-GFCCVEGCSA-N 1 0 375.422 1.465 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000599012263 652477994 /nfs/dbraw/zinc/47/79/94/652477994.db2.gz QWHJECQBSQDDLG-VXGBXAGGSA-N 1 0 378.166 1.439 20 5 GDBDRO O=[N+]([O-])c1cc(I)ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176017 652479995 /nfs/dbraw/zinc/47/99/95/652479995.db2.gz OIOREWHMIKKOFK-SNVBAGLBSA-N 1 0 377.182 1.678 20 5 GDBDRO CN(C)C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599304348 652483217 /nfs/dbraw/zinc/48/32/17/652483217.db2.gz RAUVAPRHBXCYNF-GFCCVEGCSA-N 1 0 387.849 1.563 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599415757 652494066 /nfs/dbraw/zinc/49/40/66/652494066.db2.gz QRYGAOURNMZCDF-NSHDSACASA-N 1 0 375.422 1.753 20 5 GDBDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C[NH2+]1 ZINC000599896699 652517220 /nfs/dbraw/zinc/51/72/20/652517220.db2.gz RCPQQUMPRPLALJ-PSASIEDQSA-N 1 0 385.218 1.553 20 5 GDBDRO Cc1cc(S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601464632 652585496 /nfs/dbraw/zinc/58/54/96/652585496.db2.gz SHYPHYUSCYRWAK-NSHDSACASA-N 1 0 378.520 1.515 20 5 GDBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000602594776 652642417 /nfs/dbraw/zinc/64/24/17/652642417.db2.gz DBKHTNULYJARDK-YUMQZZPRSA-N 1 0 375.166 1.761 20 5 GDBDRO COCC[NH2+]CCc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603239688 652687118 /nfs/dbraw/zinc/68/71/18/652687118.db2.gz JSUBNQOXUWPDDY-UHFFFAOYSA-N 1 0 384.234 1.776 20 5 GDBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)C[NH+](C)C ZINC000831717600 654994047 /nfs/dbraw/zinc/99/40/47/654994047.db2.gz DQFRUBRJMQLDOC-VIFPVBQESA-N 1 0 375.223 1.449 20 5 GDBDRO C[N@@H+]1C[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)[C@@H]2C1 ZINC000813741831 655244883 /nfs/dbraw/zinc/24/48/83/655244883.db2.gz VHVODUBQFQOCIW-NOZJJQNGSA-N 1 0 390.259 1.682 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000841142245 655310133 /nfs/dbraw/zinc/31/01/33/655310133.db2.gz BWUUQHAPOQHSDD-SECBINFHSA-N 1 0 385.218 1.554 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841190836 655313169 /nfs/dbraw/zinc/31/31/69/655313169.db2.gz SDBBYLVSGSJSKN-SNVBAGLBSA-N 1 0 385.218 1.506 20 5 GDBDRO [NH3+][C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(I)c2)C1 ZINC000841233892 655316156 /nfs/dbraw/zinc/31/61/56/655316156.db2.gz KKXNQHHRTXHRIV-ZETCQYMHSA-N 1 0 376.154 1.764 20 5 GDBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000841275943 655318512 /nfs/dbraw/zinc/31/85/12/655318512.db2.gz KIMCIXWKAFWPRZ-ZJUUUORDSA-N 1 0 399.245 1.739 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817986922 655363499 /nfs/dbraw/zinc/36/34/99/655363499.db2.gz OIVWLWYCQPWMSF-UHFFFAOYSA-N 1 0 397.229 1.650 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000842479683 655366641 /nfs/dbraw/zinc/36/66/41/655366641.db2.gz CZCDSIWWGWCQTF-RKDXNWHRSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(F)F ZINC000842484050 655367712 /nfs/dbraw/zinc/36/77/12/655367712.db2.gz WRUJAJNOWIMNAJ-MRVPVSSYSA-N 1 0 388.190 1.618 20 5 GDBDRO C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[C@H]1C[NH3+] ZINC000842486141 655368268 /nfs/dbraw/zinc/36/82/68/655368268.db2.gz STCLTLYBKUDBBT-VHSXEESVSA-N 1 0 392.275 1.963 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC000843083768 655388110 /nfs/dbraw/zinc/38/81/10/655388110.db2.gz KBAKINNRDKKTJS-GWCFXTLKSA-N 1 0 375.212 1.782 20 5 GDBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000843098303 655388449 /nfs/dbraw/zinc/38/84/49/655388449.db2.gz NXYBRCBEJHOBFX-UONOGXRCSA-N 1 0 386.451 1.114 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856256811 655711019 /nfs/dbraw/zinc/71/10/19/655711019.db2.gz OJQZYFUILCQOAI-LLVKDONJSA-N 1 0 399.245 1.424 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861512159 655824091 /nfs/dbraw/zinc/82/40/91/655824091.db2.gz BKWHEECKHDFNSZ-LBPRGKRZSA-N 1 0 397.229 1.697 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865201785 655914567 /nfs/dbraw/zinc/91/45/67/655914567.db2.gz FTDRDFGQOMUSLV-GFCCVEGCSA-N 1 0 399.289 1.652 20 5 GDBDRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000866222825 655936405 /nfs/dbraw/zinc/93/64/05/655936405.db2.gz YJAXTCZLRCCGHT-UHFFFAOYSA-N 1 0 386.246 1.473 20 5 GDBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867438871 656061266 /nfs/dbraw/zinc/06/12/66/656061266.db2.gz JUIOSWORCYAWEF-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886247181 657629794 /nfs/dbraw/zinc/62/97/94/657629794.db2.gz JQZDNJKSYLDWFP-WLLOZRIZSA-N 1 0 378.166 1.173 20 5 GDBDRO CN1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888982457 657963892 /nfs/dbraw/zinc/96/38/92/657963892.db2.gz SLJDJMPOEMWPBW-UHFFFAOYSA-N 1 0 399.289 1.606 20 5 GDBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000896540617 658786911 /nfs/dbraw/zinc/78/69/11/658786911.db2.gz GFNIPWPSVURRDC-JOYOIKCWSA-N 1 0 386.250 1.116 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2sccc2Br)c1 ZINC000905427271 659452379 /nfs/dbraw/zinc/45/23/79/659452379.db2.gz MIPQOWQTGOOPAS-SNVBAGLBSA-N 1 0 375.248 1.809 20 5 GDBDRO CN(C)[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000905576174 659466812 /nfs/dbraw/zinc/46/68/12/659466812.db2.gz LOMBUVILWPLXGW-ZDUSSCGKSA-N 1 0 383.392 1.841 20 5 GDBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164737537 720734351 /nfs/dbraw/zinc/73/43/51/720734351.db2.gz CGCHQVPYDJAVPY-STQMWFEESA-N 1 0 381.396 1.603 20 5 GDBDRO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164747111 720855329 /nfs/dbraw/zinc/85/53/29/720855329.db2.gz HYCWULGHJMGDNS-IXDOHACOSA-N 1 0 398.471 1.664 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164769101 721098931 /nfs/dbraw/zinc/09/89/31/721098931.db2.gz ODGZEPOPVWHMNF-KGLIPLIRSA-N 1 0 387.400 1.590 20 5 GDBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864776 721110250 /nfs/dbraw/zinc/11/02/50/721110250.db2.gz GQKATKPQEZGOEC-IRXDYDNUSA-N 1 0 385.424 1.411 20 5 GDBDRO COc1cc(C)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164770586 721118532 /nfs/dbraw/zinc/11/85/32/721118532.db2.gz RAOCQFKTNCQOSK-HZPDHXFCSA-N 1 0 386.456 1.999 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4c(Cl)[n+]([O-])ccc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164773917 721141431 /nfs/dbraw/zinc/14/14/31/721141431.db2.gz ZDJYCHXWELOBDM-ZIAGYGMSSA-N 1 0 392.847 1.573 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cc(N)c([N+](=O)[O-])cn4)C3)O2)CC1 ZINC001164892553 721418662 /nfs/dbraw/zinc/41/86/62/721418662.db2.gz YSFHXHXAQXQJNL-HNAYVOBHSA-N 1 0 390.488 1.337 20 5 GDBDRO COc1cc2ncnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2cc1[N+](=O)[O-] ZINC001164966743 722072047 /nfs/dbraw/zinc/07/20/47/722072047.db2.gz ADPDCHAWSLNCLQ-OKILXGFUSA-N 1 0 385.424 1.846 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164975506 722100648 /nfs/dbraw/zinc/10/06/48/722100648.db2.gz CBWDTCMTRVNDHP-FUHWJXTLSA-N 1 0 385.424 1.351 20 5 GDBDRO Nc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164979030 722125698 /nfs/dbraw/zinc/12/56/98/722125698.db2.gz OTCITKPLHCXBSW-MAUKXSAKSA-N 1 0 384.440 1.694 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000161399697 530559753 /nfs/dbraw/zinc/55/97/53/530559753.db2.gz IFAAEAJAQCVDLU-UHFFFAOYSA-N 1 0 377.850 1.231 20 5 GDBDRO CC1CC[NH+](C[C@H](O)CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000161660440 530563147 /nfs/dbraw/zinc/56/31/47/530563147.db2.gz NMZGZYILIKXUHY-GFCCVEGCSA-N 1 0 391.877 1.619 20 5 GDBDRO COCCC[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000172771363 530617545 /nfs/dbraw/zinc/61/75/45/530617545.db2.gz QDTZPGSRHXZGFA-UHFFFAOYSA-N 1 0 381.401 1.971 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000176969351 530694439 /nfs/dbraw/zinc/69/44/39/530694439.db2.gz UYCAUIGKRWJTJG-UHFFFAOYSA-N 1 0 380.264 1.848 20 5 GDBDRO C[NH+](C)CCCOC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000179603279 530745016 /nfs/dbraw/zinc/74/50/16/530745016.db2.gz IPRLYUGNQGEYGP-UHFFFAOYSA-N 1 0 391.515 1.997 20 5 GDBDRO COc1cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1F ZINC000184236152 530824983 /nfs/dbraw/zinc/82/49/83/530824983.db2.gz OFWJYLOBABOVMJ-UHFFFAOYSA-N 1 0 375.422 1.598 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187342011 530871312 /nfs/dbraw/zinc/87/13/12/530871312.db2.gz HGPOYVKRCUPIAJ-MNOVXSKESA-N 1 0 375.422 1.894 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000189121350 530908303 /nfs/dbraw/zinc/90/83/03/530908303.db2.gz IWUBKFHTDQCYDV-UHFFFAOYSA-N 1 0 376.866 1.164 20 5 GDBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCOCC1 ZINC000124115662 530991901 /nfs/dbraw/zinc/99/19/01/530991901.db2.gz POCAPRQUQXNEOX-UHFFFAOYSA-N 1 0 391.877 1.946 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(Br)s2)c1 ZINC000226410064 531031756 /nfs/dbraw/zinc/03/17/56/531031756.db2.gz KABLFGIFYDDYMM-SNVBAGLBSA-N 1 0 375.248 1.809 20 5 GDBDRO CS(=O)(=O)C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000262526700 531123121 /nfs/dbraw/zinc/12/31/21/531123121.db2.gz LMSDVFRKWIKDBY-UHFFFAOYSA-N 1 0 375.834 1.031 20 5 GDBDRO COc1c(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc(Br)c(C)c1[N+](=O)[O-] ZINC000262787415 531130674 /nfs/dbraw/zinc/13/06/74/531130674.db2.gz QRQLDZRRSIQPKD-SSDOTTSWSA-N 1 0 396.263 1.642 20 5 GDBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000264037606 531166005 /nfs/dbraw/zinc/16/60/05/531166005.db2.gz AZGDBVXGMMWFAV-CYBMUJFWSA-N 1 0 396.245 1.973 20 5 GDBDRO CC[NH+](CC)CCN(CCOC)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000264158712 531170580 /nfs/dbraw/zinc/17/05/80/531170580.db2.gz FDSDGLTUOAUTBL-UHFFFAOYSA-N 1 0 377.438 1.713 20 5 GDBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000519773045 531220188 /nfs/dbraw/zinc/22/01/88/531220188.db2.gz UOZUKOOVENBDPU-QMMMGPOBSA-N 1 0 375.166 1.633 20 5 GDBDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000290753810 531253556 /nfs/dbraw/zinc/25/35/56/531253556.db2.gz JSOAMMMUKCEJGS-UHFFFAOYSA-N 1 0 399.245 1.896 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000440341212 531334004 /nfs/dbraw/zinc/33/40/04/531334004.db2.gz PBUZYZXEACPMQZ-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000440437105 531339142 /nfs/dbraw/zinc/33/91/42/531339142.db2.gz WQKUUBBTGCTOBV-LLVKDONJSA-N 1 0 380.264 1.927 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440834132 531347445 /nfs/dbraw/zinc/34/74/45/531347445.db2.gz QDTNYWZBRRYSMZ-UFBFGSQYSA-N 1 0 378.248 1.634 20 5 GDBDRO C[N@H+](CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000488980483 531491775 /nfs/dbraw/zinc/49/17/75/531491775.db2.gz YQDHFJMKBWHCBV-UHFFFAOYSA-N 1 0 378.248 1.730 20 5 GDBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269109522 531610498 /nfs/dbraw/zinc/61/04/98/531610498.db2.gz NKASZSBIQJYWRU-UHFFFAOYSA-N 1 0 389.225 1.522 20 5 GDBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416446950 531619327 /nfs/dbraw/zinc/61/93/27/531619327.db2.gz QOGUDRVAQZUWMW-GFCCVEGCSA-N 1 0 385.364 1.205 20 5 GDBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000619493857 531708823 /nfs/dbraw/zinc/70/88/23/531708823.db2.gz CFPJTTMMLXWYPH-NWDGAFQWSA-N 1 0 375.472 1.270 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000592367809 531782391 /nfs/dbraw/zinc/78/23/91/531782391.db2.gz WNWYBYUEMRZNIC-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c(Br)c1 ZINC000592387269 531783796 /nfs/dbraw/zinc/78/37/96/531783796.db2.gz DKQFGOTUPAJAPB-VIFPVBQESA-N 1 0 378.248 1.778 20 5 GDBDRO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000595405325 531880874 /nfs/dbraw/zinc/88/08/74/531880874.db2.gz VXKNYLXBDNHJAL-LBPRGKRZSA-N 1 0 391.877 1.980 20 5 GDBDRO CC[N@H+](CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000596210180 531913429 /nfs/dbraw/zinc/91/34/29/531913429.db2.gz LGADWGQJWCAWFV-UHFFFAOYSA-N 1 0 384.380 1.928 20 5 GDBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000284323155 531948909 /nfs/dbraw/zinc/94/89/09/531948909.db2.gz KXXPZBCHSRFPGG-UHFFFAOYSA-N 1 0 386.246 1.852 20 5 GDBDRO C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000599213450 532013151 /nfs/dbraw/zinc/01/31/51/532013151.db2.gz NCAYPJASTDHFGM-JTQLQIEISA-N 1 0 385.471 1.115 20 5 GDBDRO CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000599690804 532036464 /nfs/dbraw/zinc/03/64/64/532036464.db2.gz MKYYRSYXXLLEJI-LLVKDONJSA-N 1 0 375.422 1.504 20 5 GDBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000579124546 532056349 /nfs/dbraw/zinc/05/63/49/532056349.db2.gz YCMPJAJWFLPRTN-ZDUSSCGKSA-N 1 0 384.889 1.846 20 5 GDBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000272179761 532082804 /nfs/dbraw/zinc/08/28/04/532082804.db2.gz CQJJFXOLWLZBKQ-UHFFFAOYSA-N 1 0 390.259 1.898 20 5 GDBDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424394453 532091300 /nfs/dbraw/zinc/09/13/00/532091300.db2.gz TZIHYQRYMJKPOU-CMPLNLGQSA-N 1 0 385.833 1.097 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275452221 532295791 /nfs/dbraw/zinc/29/57/91/532295791.db2.gz IPXNVFYDCOMCQH-JKSUJKDBSA-N 1 0 385.511 1.936 20 5 GDBDRO COCC[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289796852 532332355 /nfs/dbraw/zinc/33/23/55/532332355.db2.gz KOLKKBRHPLPKAL-LLVKDONJSA-N 1 0 380.182 1.686 20 5 GDBDRO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000736853366 598895526 /nfs/dbraw/zinc/89/55/26/598895526.db2.gz XOEPIPNLCWFESS-OAHLLOKOSA-N 1 0 386.460 1.380 20 5 GDBDRO Cc1ccccc1C[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000822361683 599233852 /nfs/dbraw/zinc/23/38/52/599233852.db2.gz GCKTZLQAJFPPCT-UHFFFAOYSA-N 1 0 380.412 1.801 20 5 GDBDRO Cc1cccc(NC[C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C2)[nH+]1 ZINC000737398596 598671491 /nfs/dbraw/zinc/67/14/91/598671491.db2.gz CGFYPPUFUIXQAT-GFCCVEGCSA-N 1 0 381.400 1.812 20 5 GDBDRO C[NH+](C)C[C@@H]1CN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000821584842 599537677 /nfs/dbraw/zinc/53/76/77/599537677.db2.gz VBUXKSCWILJAKR-GFCCVEGCSA-N 1 0 384.400 1.090 20 5 GDBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826499332 608531758 /nfs/dbraw/zinc/53/17/58/608531758.db2.gz FBYMXGVPCMRREO-MRXNPFEDSA-N 1 0 396.407 1.794 20 5 GDBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3F)C2)nc1 ZINC000826498742 608652454 /nfs/dbraw/zinc/65/24/54/608652454.db2.gz HZYXEXSNXIONGN-LBPRGKRZSA-N 1 0 384.375 1.995 20 5 GDBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000533006898 650039649 /nfs/dbraw/zinc/03/96/49/650039649.db2.gz USISGOYOSHPOTE-SNVBAGLBSA-N 1 0 392.275 1.977 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000541948374 650396065 /nfs/dbraw/zinc/39/60/65/650396065.db2.gz HAYDNHLGFHPYPH-WFASDCNBSA-N 1 0 399.245 1.628 20 5 GDBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000125114678 644712001 /nfs/dbraw/zinc/71/20/01/644712001.db2.gz RJCKXFGPHHDCJE-RKDXNWHRSA-N 1 0 378.248 1.858 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)ccc1Br ZINC000178936625 644928862 /nfs/dbraw/zinc/92/88/62/644928862.db2.gz YNNBCGBIEJFUQD-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000178937777 644928939 /nfs/dbraw/zinc/92/89/39/644928939.db2.gz TVNWSMCZTKZTFY-VIFPVBQESA-N 1 0 378.248 1.587 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000330599411 645380954 /nfs/dbraw/zinc/38/09/54/645380954.db2.gz XLRWJUBAMAMCRL-NWDGAFQWSA-N 1 0 379.891 1.914 20 5 GDBDRO C[N@H+](CCO)C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000330643992 645390839 /nfs/dbraw/zinc/39/08/39/645390839.db2.gz FRBDYFXYDYBVAR-UHFFFAOYSA-N 1 0 377.850 1.325 20 5 GDBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000371590016 645747879 /nfs/dbraw/zinc/74/78/79/645747879.db2.gz KIOKKHCGEUATPR-ZDUSSCGKSA-N 1 0 388.515 1.447 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCO1 ZINC000420474858 645944250 /nfs/dbraw/zinc/94/42/50/645944250.db2.gz ZDWGLGZWVILIFJ-LLVKDONJSA-N 1 0 394.247 1.096 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423958511 646146909 /nfs/dbraw/zinc/14/69/09/646146909.db2.gz DOSNYAZPRGYVOI-JMCQJSRRSA-N 1 0 389.193 1.927 20 5 GDBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000445550576 647269388 /nfs/dbraw/zinc/26/93/88/647269388.db2.gz RCDLOYYNCRNXMY-UWVGGRQHSA-N 1 0 378.248 1.906 20 5 GDBDRO O=[N+]([O-])c1cncc(I)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000572586759 651099689 /nfs/dbraw/zinc/09/96/89/651099689.db2.gz NLZZIMFLHUXMIG-SECBINFHSA-N 1 0 388.209 1.913 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000592381253 652185489 /nfs/dbraw/zinc/18/54/89/652185489.db2.gz CNBUTOMPGXBPTO-RNCFNFMXSA-N 1 0 390.259 1.730 20 5 GDBDRO C[NH+](C)CC1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000597709479 652457851 /nfs/dbraw/zinc/45/78/51/652457851.db2.gz VWZFHYFLJUJILQ-UHFFFAOYSA-N 1 0 389.193 1.833 20 5 GDBDRO CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601357186 652569912 /nfs/dbraw/zinc/56/99/12/652569912.db2.gz NNWMHGMCLQUHJC-LBPRGKRZSA-N 1 0 390.531 1.517 20 5 GDBDRO [NH3+]CCCc1cn(Cc2cc(I)cc([N+](=O)[O-])c2)nn1 ZINC000603233839 652686524 /nfs/dbraw/zinc/68/65/24/652686524.db2.gz CYAIQBZEPMCKFP-UHFFFAOYSA-N 1 0 387.181 1.731 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000768830269 654433911 /nfs/dbraw/zinc/43/39/11/654433911.db2.gz DKEKBRZJZSAISB-GFCCVEGCSA-N 1 0 375.472 1.578 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000768830272 654434005 /nfs/dbraw/zinc/43/40/05/654434005.db2.gz DKEKBRZJZSAISB-LBPRGKRZSA-N 1 0 375.472 1.578 20 5 GDBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742310895 654702132 /nfs/dbraw/zinc/70/21/32/654702132.db2.gz CLZAVSVBGHLLHY-SECBINFHSA-N 1 0 380.264 1.976 20 5 GDBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc([N+](=O)[O-])c1Br ZINC000830553374 654949624 /nfs/dbraw/zinc/94/96/24/654949624.db2.gz GPNTYGMKBBJDHM-AWEZNQCLSA-N 1 0 383.202 1.531 20 5 GDBDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000810396270 655158629 /nfs/dbraw/zinc/15/86/29/655158629.db2.gz UTNFUQHPSGLTSR-UHFFFAOYSA-N 1 0 387.234 1.800 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000841221831 655315358 /nfs/dbraw/zinc/31/53/58/655315358.db2.gz KUAMEPRUCDQAGA-UHFFFAOYSA-N 1 0 399.245 1.944 20 5 GDBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CC[NH2+]CC1 ZINC000841233627 655316098 /nfs/dbraw/zinc/31/60/98/655316098.db2.gz ALGBAHHOWFJJPZ-UHFFFAOYSA-N 1 0 376.154 1.637 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000842719908 655373422 /nfs/dbraw/zinc/37/34/22/655373422.db2.gz NUEPQNNQQCPKGE-KWQFWETISA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000842787554 655376877 /nfs/dbraw/zinc/37/68/77/655376877.db2.gz QHEQAVLZIWNRBT-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842792771 655377424 /nfs/dbraw/zinc/37/74/24/655377424.db2.gz FJTHXEKOCHXYCF-IUCAKERBSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000842815608 655378884 /nfs/dbraw/zinc/37/88/84/655378884.db2.gz SRHIYJSWPSSJHN-BDAKNGLRSA-N 1 0 378.248 1.776 20 5 GDBDRO O=c1ccc(Br)cn1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819340146 655390239 /nfs/dbraw/zinc/39/02/39/655390239.db2.gz ZFASGZPCXQHWFB-CQSZACIVSA-N 1 0 382.214 1.842 20 5 GDBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC[C@H]1F ZINC000851648827 655589758 /nfs/dbraw/zinc/58/97/58/655589758.db2.gz PABKNFSRUZCYNP-MWLCHTKSSA-N 1 0 393.156 1.711 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000858563211 655749467 /nfs/dbraw/zinc/74/94/67/655749467.db2.gz VAKRKUIAXKCXAE-IWIIMEHWSA-N 1 0 379.360 1.885 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCOCC1 ZINC000858621894 655750822 /nfs/dbraw/zinc/75/08/22/655750822.db2.gz FRVBUAQYYXSCIS-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000858625128 655751025 /nfs/dbraw/zinc/75/10/25/655751025.db2.gz OJNGYGDRHUVTGY-WDEREUQCSA-N 1 0 378.248 1.776 20 5 GDBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865584562 655922309 /nfs/dbraw/zinc/92/23/09/655922309.db2.gz WOXFVUQGZBHVKR-LBPRGKRZSA-N 1 0 386.246 1.737 20 5 GDBDRO O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000868158142 656142464 /nfs/dbraw/zinc/14/24/64/656142464.db2.gz IXVDRPDKGUXNDC-IUCAKERBSA-N 1 0 388.165 1.777 20 5 GDBDRO O=c1ccc(Br)cn1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877556798 656680314 /nfs/dbraw/zinc/68/03/14/656680314.db2.gz YZCKFGLUXZVGBL-UHFFFAOYSA-N 1 0 382.218 1.709 20 5 GDBDRO O=C1NC[C@@H](O)CC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000932831234 657226455 /nfs/dbraw/zinc/22/64/55/657226455.db2.gz IYRQBMMGNXAJTI-ZDUSSCGKSA-N 1 0 398.257 1.820 20 5 GDBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000886890270 657718889 /nfs/dbraw/zinc/71/88/89/657718889.db2.gz CLAKMDQWNTZXNB-SECBINFHSA-N 1 0 378.248 1.730 20 5 GDBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000900641800 659129791 /nfs/dbraw/zinc/12/97/91/659129791.db2.gz ZKFULJAOIQLWKJ-UHFFFAOYSA-N 1 0 395.261 1.445 20 5 GDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000903590102 659355952 /nfs/dbraw/zinc/35/59/52/659355952.db2.gz MXYKCJQQZHIVLM-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000903590424 659356339 /nfs/dbraw/zinc/35/63/39/659356339.db2.gz WNZLAIBJZQASPQ-UHFFFAOYSA-N 1 0 380.264 1.976 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC000903597538 659358025 /nfs/dbraw/zinc/35/80/25/659358025.db2.gz YBKNYPQBMRMVBY-ZDUSSCGKSA-N 1 0 390.259 1.874 20 5 GDBDRO C[NH+](C)CC1(O)CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000913676062 660091705 /nfs/dbraw/zinc/09/17/05/660091705.db2.gz LFGRBORXQBLXGB-UHFFFAOYSA-N 1 0 386.246 1.886 20 5 GDBDRO O=[N+]([O-])c1ccc(C(F)(F)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1Cl ZINC001164415404 718884971 /nfs/dbraw/zinc/88/49/71/718884971.db2.gz IEEVVWDWHLDTEI-UHFFFAOYSA-N 1 0 399.789 1.879 20 5 GDBDRO CC(C)[N@H+]1[C@@H]2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833332 720509243 /nfs/dbraw/zinc/50/92/43/720509243.db2.gz DFKHNFCDNKTIAR-BPQIPLTHSA-N 1 0 386.456 1.803 20 5 GDBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164737421 720825143 /nfs/dbraw/zinc/82/51/43/720825143.db2.gz AYZHGZGSPKUFEN-YESZJQIVSA-N 1 0 398.471 1.664 20 5 GDBDRO COCC[N@@H+]1CCO[C@@H]2CN(c3ncnc4ccc([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164857113 720850724 /nfs/dbraw/zinc/85/07/24/720850724.db2.gz XMFCUFCLGLMFPO-RDTXWAMCSA-N 1 0 387.440 1.712 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3ncnc4cc([N+](=O)[O-])ccc43)CC[C@@H]2C1 ZINC001164853294 720850739 /nfs/dbraw/zinc/85/07/39/720850739.db2.gz OBKYLKFEVFERMI-KDOFPFPSSA-N 1 0 387.440 1.712 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4ccc([N+](=O)[O-])c(N)n4)C3)O2)CC1 ZINC001164883464 721419791 /nfs/dbraw/zinc/41/97/91/721419791.db2.gz AAKGQJCLFWDLNJ-DNVCBOLYSA-N 1 0 390.488 1.337 20 5 GDBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164975507 722100736 /nfs/dbraw/zinc/10/07/36/722100736.db2.gz CBWDTCMTRVNDHP-SJLPKXTDSA-N 1 0 385.424 1.351 20 5 GDBDRO C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 ZINC000037253255 530615293 /nfs/dbraw/zinc/61/52/93/530615293.db2.gz OKZCIMPFZKOWQP-UHFFFAOYSA-N 1 0 389.193 1.977 20 5 GDBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000186854709 530863450 /nfs/dbraw/zinc/86/34/50/530863450.db2.gz UDZIBAYGCILRLS-QPUJVOFHSA-N 1 0 389.193 1.927 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000193989675 530997405 /nfs/dbraw/zinc/99/74/05/530997405.db2.gz QZSFFRKPROMSER-UHFFFAOYSA-N 1 0 376.866 1.164 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193414429 530986092 /nfs/dbraw/zinc/98/60/92/530986092.db2.gz VZAKUQHDEYTVOF-PELKAZGASA-N 1 0 392.275 1.942 20 5 GDBDRO Cc1sc(S(=O)(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000472735940 531238757 /nfs/dbraw/zinc/23/87/57/531238757.db2.gz MRJCUPNWPGXYKA-LLVKDONJSA-N 1 0 376.504 1.269 20 5 GDBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000266274160 531334247 /nfs/dbraw/zinc/33/42/47/531334247.db2.gz RSPYUXDPOOZCMW-LBPRGKRZSA-N 1 0 388.515 1.742 20 5 GDBDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000440962946 531350993 /nfs/dbraw/zinc/35/09/93/531350993.db2.gz LECHYDRUDSAAJJ-KCJUWKMLSA-N 1 0 385.218 1.553 20 5 GDBDRO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000267903121 531460420 /nfs/dbraw/zinc/46/04/20/531460420.db2.gz WUBZJYIKJVKKMD-ZDUSSCGKSA-N 1 0 375.447 1.239 20 5 GDBDRO CCn1c(CC[NH3+])nnc1Sc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000543975862 531483868 /nfs/dbraw/zinc/48/38/68/531483868.db2.gz OMTPSGUJXRXICV-UHFFFAOYSA-N 1 0 377.473 1.324 20 5 GDBDRO Cc1c(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000415658888 531510073 /nfs/dbraw/zinc/51/00/73/531510073.db2.gz QKAPPEQKIKAZAI-AOOOYVTPSA-N 1 0 397.229 1.282 20 5 GDBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000295453953 531581011 /nfs/dbraw/zinc/58/10/11/531581011.db2.gz MGUJWRYYOTUHOR-ZDUSSCGKSA-N 1 0 386.246 1.934 20 5 GDBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000295525540 531592221 /nfs/dbraw/zinc/59/22/21/531592221.db2.gz QWWLSPBVTDPTSI-LLVKDONJSA-N 1 0 386.246 1.934 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000591681135 531734662 /nfs/dbraw/zinc/73/46/62/531734662.db2.gz WFWBIQLUPWESTP-VIFPVBQESA-N 1 0 389.193 1.942 20 5 GDBDRO C[C@H]1SCC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000592001204 531748972 /nfs/dbraw/zinc/74/89/72/531748972.db2.gz QFWYDLVOBLCACP-YPMHNXCESA-N 1 0 388.515 1.741 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000366508386 531752036 /nfs/dbraw/zinc/75/20/36/531752036.db2.gz OOXIYYZNKUXART-JSGCOSHPSA-N 1 0 384.230 1.950 20 5 GDBDRO COc1ccc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000270596740 531899893 /nfs/dbraw/zinc/89/98/93/531899893.db2.gz VDZKLKUHYSBTEA-STQMWFEESA-N 1 0 375.472 1.270 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c(Br)c1 ZINC000599100004 532004767 /nfs/dbraw/zinc/00/47/67/532004767.db2.gz DACVYYQUPASVFA-GFCCVEGCSA-N 1 0 390.259 1.920 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCO1 ZINC000420467289 532020359 /nfs/dbraw/zinc/02/03/59/532020359.db2.gz CTETYMIAJBBHEW-SNVBAGLBSA-N 1 0 383.348 1.352 20 5 GDBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000600669653 532049653 /nfs/dbraw/zinc/04/96/53/532049653.db2.gz RWAYSLCKVQFTLB-IWIIMEHWSA-N 1 0 379.360 1.794 20 5 GDBDRO COc1cc(C[NH2+]CCCS(C)(=O)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272395278 532095430 /nfs/dbraw/zinc/09/54/30/532095430.db2.gz JKAWTAAZOXXBST-UHFFFAOYSA-N 1 0 382.385 1.772 20 5 GDBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000274486193 532213928 /nfs/dbraw/zinc/21/39/28/532213928.db2.gz PBJXULVKOBEBTC-LLVKDONJSA-N 1 0 376.504 1.498 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274796440 532233773 /nfs/dbraw/zinc/23/37/73/532233773.db2.gz MKKGAOYAFRRELM-KBPBESRZSA-N 1 0 389.474 1.934 20 5 GDBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CC=CC4)C3)cc(-c3nn[nH]n3)c2c1 ZINC000823646089 599047584 /nfs/dbraw/zinc/04/75/84/599047584.db2.gz ZSVXKIKODXNLCZ-ZDUSSCGKSA-N 1 0 378.396 1.774 20 5 GDBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736860268 598427575 /nfs/dbraw/zinc/42/75/75/598427575.db2.gz NDBWVRDOGIXTJS-OAHLLOKOSA-N 1 0 386.460 1.381 20 5 GDBDRO C[C@H]1C[NH+](CCCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000820759156 607112573 /nfs/dbraw/zinc/11/25/73/607112573.db2.gz HYRLKDDJNKWHMZ-RYUDHWBXSA-N 1 0 376.421 1.471 20 5 GDBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000541948370 650396068 /nfs/dbraw/zinc/39/60/68/650396068.db2.gz HAYDNHLGFHPYPH-IUODEOHRSA-N 1 0 399.245 1.628 20 5 GDBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000564338802 650755331 /nfs/dbraw/zinc/75/53/31/650755331.db2.gz VVEWJMIYFQAOBA-GFCCVEGCSA-N 1 0 389.193 1.910 20 5 GDBDRO O=C(c1cc(I)cc([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000564947070 650774278 /nfs/dbraw/zinc/77/42/78/650774278.db2.gz NEKXWKZDLRLDIX-UHFFFAOYSA-N 1 0 375.166 1.635 20 5 GDBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)c1 ZINC000567002858 650879292 /nfs/dbraw/zinc/87/92/92/650879292.db2.gz KGLCUOPKZUXDEW-GXFFZTMASA-N 1 0 392.193 1.686 20 5 GDBDRO Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114218403 644640797 /nfs/dbraw/zinc/64/07/97/644640797.db2.gz RKLSZISJKDDIQR-UHFFFAOYSA-N 1 0 388.266 1.851 20 5 GDBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000124946860 644710607 /nfs/dbraw/zinc/71/06/07/644710607.db2.gz LZGBNTJBRJWKPN-DTWKUNHWSA-N 1 0 378.248 1.906 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000193447489 645051452 /nfs/dbraw/zinc/05/14/52/645051452.db2.gz FCDLMDXNOXGYLI-WPRPVWTQSA-N 1 0 378.248 1.776 20 5 GDBDRO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193458364 645052043 /nfs/dbraw/zinc/05/20/43/645052043.db2.gz DFFFPXLLXVGROU-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262735189 645136369 /nfs/dbraw/zinc/13/63/69/645136369.db2.gz GISYLDUGWSCPPJ-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH+]1CCN(CCNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502115064 648155046 /nfs/dbraw/zinc/15/50/46/648155046.db2.gz RYHFWQYLVQBMTM-UHFFFAOYSA-N 1 0 394.273 1.987 20 5 GDBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2cccc(Br)c2)c1 ZINC000571277229 651070970 /nfs/dbraw/zinc/07/09/70/651070970.db2.gz BRVOMBJDMIKKIL-ZDUSSCGKSA-N 1 0 385.218 1.583 20 5 GDBDRO CN(C(=O)c1cc(I)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000576345371 651655599 /nfs/dbraw/zinc/65/55/99/651655599.db2.gz UAEWIMGLQDCXSZ-UHFFFAOYSA-N 1 0 375.166 1.761 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000591302436 652160269 /nfs/dbraw/zinc/16/02/69/652160269.db2.gz DDKDGMQOUBNQDE-NSHDSACASA-N 1 0 399.245 1.863 20 5 GDBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)C1 ZINC000593733832 652245767 /nfs/dbraw/zinc/24/57/67/652245767.db2.gz LAUZQBPVADLYMN-QJPTWQEYSA-N 1 0 375.472 1.563 20 5 GDBDRO CS[C@@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000601380232 652573558 /nfs/dbraw/zinc/57/35/58/652573558.db2.gz KPZZOAOMCQFPIA-QWHCGFSZSA-N 1 0 377.463 1.708 20 5 GDBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768865067 654438459 /nfs/dbraw/zinc/43/84/59/654438459.db2.gz YOZMSPORSAGBLU-RTXFEEFZSA-N 1 0 375.472 1.529 20 5 GDBDRO C[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000780503297 654785966 /nfs/dbraw/zinc/78/59/66/654785966.db2.gz CSIZCRDZMUIIDN-JTQLQIEISA-N 1 0 376.255 1.288 20 5 GDBDRO CCO[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000831708701 654993228 /nfs/dbraw/zinc/99/32/28/654993228.db2.gz UZHYLYACAJJOIA-GFCCVEGCSA-N 1 0 388.262 1.983 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000810365220 655156707 /nfs/dbraw/zinc/15/67/07/655156707.db2.gz GTMSTXBGOXAPLP-SNVBAGLBSA-N 1 0 397.229 1.649 20 5 GDBDRO C[NH+]1CCN(C[C@@H](O)COc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000840761058 655296108 /nfs/dbraw/zinc/29/61/08/655296108.db2.gz OSTPRKWQIFTSMI-SNVBAGLBSA-N 1 0 392.225 1.484 20 5 GDBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841163395 655311590 /nfs/dbraw/zinc/31/15/90/655311590.db2.gz GYNYMEXPDAUAFG-SNVBAGLBSA-N 1 0 385.218 1.506 20 5 GDBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841184244 655312784 /nfs/dbraw/zinc/31/27/84/655312784.db2.gz XYYIOTJVOYTLBR-VHSXEESVSA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841210992 655314440 /nfs/dbraw/zinc/31/44/40/655314440.db2.gz VILGMSCYIZPWQL-BDAKNGLRSA-N 1 0 385.218 1.492 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000841296753 655319031 /nfs/dbraw/zinc/31/90/31/655319031.db2.gz HNXYIYIGVNNBKT-SNVBAGLBSA-N 1 0 385.218 1.554 20 5 GDBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCO1 ZINC000842743531 655374707 /nfs/dbraw/zinc/37/47/07/655374707.db2.gz ISBFSFDGHJLABT-GZMMTYOYSA-N 1 0 394.247 1.094 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000842792766 655377432 /nfs/dbraw/zinc/37/74/32/655377432.db2.gz FJTHXEKOCHXYCF-BDAKNGLRSA-N 1 0 378.248 1.715 20 5 GDBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCO1 ZINC000843356974 655393636 /nfs/dbraw/zinc/39/36/36/655393636.db2.gz LISKMLDOMNTUJJ-RDDDGLTNSA-N 1 0 376.182 1.685 20 5 GDBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000857233866 655731597 /nfs/dbraw/zinc/73/15/97/655731597.db2.gz HJOBYNDSJUSTAE-ZANVPECISA-N 1 0 390.259 1.859 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1Br ZINC000858618454 655750728 /nfs/dbraw/zinc/75/07/28/655750728.db2.gz CNRPRXCFAVFNKT-LBPRGKRZSA-N 1 0 390.259 1.920 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000858623089 655751075 /nfs/dbraw/zinc/75/10/75/655751075.db2.gz FGLGRHHXVBEPJU-RKDXNWHRSA-N 1 0 385.339 1.882 20 5 GDBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000858632419 655751522 /nfs/dbraw/zinc/75/15/22/655751522.db2.gz PKCIDRPQDPKHIV-RKDXNWHRSA-N 1 0 378.248 1.776 20 5 GDBDRO C[NH+]1CCN(CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864658921 655903890 /nfs/dbraw/zinc/90/38/90/655903890.db2.gz UYYAVMBZPGBMKV-UHFFFAOYSA-N 1 0 385.262 1.263 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000866792149 655964226 /nfs/dbraw/zinc/96/42/26/655964226.db2.gz UYRMSBMFWKOEMD-DTORHVGOSA-N 1 0 376.232 1.482 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343186 656151156 /nfs/dbraw/zinc/15/11/56/656151156.db2.gz GWKGNYKVVQLBNR-OLZOCXBDSA-N 1 0 398.257 1.567 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C2 ZINC000871813247 656281898 /nfs/dbraw/zinc/28/18/98/656281898.db2.gz PEOADXCXEKQOAD-TVQRCGJNSA-N 1 0 390.259 1.587 20 5 GDBDRO C[C@@]12C[NH+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@@]1(C)C(=O)NC2=O ZINC000931382377 657096237 /nfs/dbraw/zinc/09/62/37/657096237.db2.gz JUJYRILNYXPPKX-GJZGRUSLSA-N 1 0 382.214 1.842 20 5 GDBDRO O=[N+]([O-])c1cccc(Br)c1CN1CCC(O)(COCCO)CC1 ZINC000895827308 658732435 /nfs/dbraw/zinc/73/24/35/658732435.db2.gz MUIZHYOZJHTKRV-UHFFFAOYSA-N 1 0 389.246 1.693 20 5 GDBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000896549085 658788442 /nfs/dbraw/zinc/78/84/42/658788442.db2.gz MPPVQXMCMHDYEK-GWCFXTLKSA-N 1 0 385.262 1.721 20 5 GDBDRO O=c1c2c(ncn1Cc1cc([N+](=O)[O-])ccc1Br)CC[NH2+]CC2 ZINC000899633229 659038317 /nfs/dbraw/zinc/03/83/17/659038317.db2.gz QTFLFRHJKQDSKX-UHFFFAOYSA-N 1 0 379.214 1.651 20 5 GDBDRO COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905428463 659452621 /nfs/dbraw/zinc/45/26/21/659452621.db2.gz UBIKTLRSCYORPF-ZWNOBZJWSA-N 1 0 377.235 1.859 20 5 GDBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908205028 659882451 /nfs/dbraw/zinc/88/24/51/659882451.db2.gz UHQXMRIBVDNQQF-LBPRGKRZSA-N 1 0 386.246 1.473 20 5 GDBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164740876 720613165 /nfs/dbraw/zinc/61/31/65/720613165.db2.gz JNEHKBGNSQCTOH-CHWSQXEVSA-N 1 0 376.804 1.775 20 5 GDBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164747301 720844917 /nfs/dbraw/zinc/84/49/17/720844917.db2.gz QCZDCCPJYCAENZ-QGPMSJSTSA-N 1 0 398.471 1.543 20 5 GDBDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856859 720858164 /nfs/dbraw/zinc/85/81/64/720858164.db2.gz PQIXGLLFHFDWEV-OCCSQVGLSA-N 1 0 386.836 1.055 20 5 GDBDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(Cl)ncc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164772197 721076030 /nfs/dbraw/zinc/07/60/30/721076030.db2.gz USLFTKVNDDOETN-STQMWFEESA-N 1 0 377.836 1.730 20 5 GDBDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cccc([N+](=O)[O-])n4)C3)O2)CC1 ZINC001164892223 721392308 /nfs/dbraw/zinc/39/23/08/721392308.db2.gz SEOSTPFHNYGUPR-QFBILLFUSA-N 1 0 375.473 1.755 20 5 GDBDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4F)C3)O2)CC1 ZINC001164886288 721401860 /nfs/dbraw/zinc/40/18/60/721401860.db2.gz ISIVODBOCJJCBW-APWZRJJASA-N 1 0 393.463 1.894 20 5 GDBDRO COc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c([N+](=O)[O-])c1 ZINC001165011905 721736702 /nfs/dbraw/zinc/73/67/02/721736702.db2.gz XASJTLNMIGYSNM-UHFFFAOYSA-N 1 0 377.445 1.521 20 5 GDBDRO CC[NH+]1CCC(NC(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)CC1 ZINC000158347868 530532184 /nfs/dbraw/zinc/53/21/84/530532184.db2.gz ZPAOMOQLMZAZOL-UHFFFAOYSA-N 1 0 387.234 1.120 20 5 GDBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000171426985 530599195 /nfs/dbraw/zinc/59/91/95/530599195.db2.gz IMOWVQAAJBAHQN-SNVBAGLBSA-N 1 0 378.248 1.682 20 5 GDBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000173197519 530625383 /nfs/dbraw/zinc/62/53/83/530625383.db2.gz ZFBYSHTYZAQCSY-UHFFFAOYSA-N 1 0 380.264 1.896 20 5 GDBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000179026896 530733981 /nfs/dbraw/zinc/73/39/81/530733981.db2.gz HVQUTPINRODUNM-VIFPVBQESA-N 1 0 389.193 1.881 20 5 GDBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000179026905 530734031 /nfs/dbraw/zinc/73/40/31/530734031.db2.gz HVQUTPINRODUNM-SECBINFHSA-N 1 0 389.193 1.881 20 5 GDBDRO O=[N+]([O-])c1cc(I)ccc1N1CCC[N@@H+](CCO)CC1 ZINC000084438798 530808931 /nfs/dbraw/zinc/80/89/31/530808931.db2.gz PIECXYSORURUJA-UHFFFAOYSA-N 1 0 391.209 1.704 20 5 GDBDRO CC[NH+]1CCN(CCNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000189123615 530908317 /nfs/dbraw/zinc/90/83/17/530908317.db2.gz ZEQFFAYBPXWDAQ-UHFFFAOYSA-N 1 0 390.893 1.472 20 5 GDBDRO C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 ZINC000114675620 530896029 /nfs/dbraw/zinc/89/60/29/530896029.db2.gz FFSMKQOLYIHPNQ-UHFFFAOYSA-N 1 0 389.193 1.977 20 5 GDBDRO C[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000120482617 530940875 /nfs/dbraw/zinc/94/08/75/530940875.db2.gz KKWZSINKPGSRFP-NSHDSACASA-N 1 0 385.262 1.723 20 5 GDBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1I ZINC000124196970 530992604 /nfs/dbraw/zinc/99/26/04/530992604.db2.gz PHIQCOSEQSXLJX-QMMMGPOBSA-N 1 0 375.166 1.681 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000193414417 530985991 /nfs/dbraw/zinc/98/59/91/530985991.db2.gz VZAKUQHDEYTVOF-PRHODGIISA-N 1 0 392.275 1.942 20 5 GDBDRO O=C(c1cc([N+](=O)[O-])ccc1I)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195249124 531019580 /nfs/dbraw/zinc/01/95/80/531019580.db2.gz OOIPDLSGWHMCMO-DTORHVGOSA-N 1 0 387.177 1.491 20 5 GDBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237895718 531051841 /nfs/dbraw/zinc/05/18/41/531051841.db2.gz CUIBXKPUDYBPNT-SNVBAGLBSA-N 1 0 399.245 1.284 20 5 GDBDRO COC[C@@](C)(CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000132528454 531081446 /nfs/dbraw/zinc/08/14/46/531081446.db2.gz USPQFVGBQKTOAJ-CQSZACIVSA-N 1 0 390.234 1.673 20 5 GDBDRO Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000521042533 531238923 /nfs/dbraw/zinc/23/89/23/531238923.db2.gz JEXKIDAFYMSCKA-JGVFFNPUSA-N 1 0 377.182 1.973 20 5 GDBDRO C[C@@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290778257 531255849 /nfs/dbraw/zinc/25/58/49/531255849.db2.gz PFMGFXOQHDYDKP-JTQLQIEISA-N 1 0 394.856 1.302 20 5 GDBDRO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290778258 531255937 /nfs/dbraw/zinc/25/59/37/531255937.db2.gz PFMGFXOQHDYDKP-SNVBAGLBSA-N 1 0 394.856 1.302 20 5 GDBDRO CSC[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265462282 531255534 /nfs/dbraw/zinc/25/55/34/531255534.db2.gz AIYIUDFSMQZQAG-LLVKDONJSA-N 1 0 376.504 1.598 20 5 GDBDRO C[C@@H]1CSCCN1c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000265615659 531270643 /nfs/dbraw/zinc/27/06/43/531270643.db2.gz WCPVFAQGOHODJW-GFCCVEGCSA-N 1 0 388.515 1.376 20 5 GDBDRO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440405362 531336744 /nfs/dbraw/zinc/33/67/44/531336744.db2.gz HBOXTPLFMNRKLR-PRHODGIISA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440405365 531337260 /nfs/dbraw/zinc/33/72/60/531337260.db2.gz HBOXTPLFMNRKLR-UFBFGSQYSA-N 1 0 378.248 1.763 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440804236 531344596 /nfs/dbraw/zinc/34/45/96/531344596.db2.gz NLQFQOVOKXOUBK-KWQFWETISA-N 1 0 378.248 1.634 20 5 GDBDRO C[N@H+](CCOc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266421755 531345644 /nfs/dbraw/zinc/34/56/44/531345644.db2.gz IVCYLRFQYYGIGM-CQSZACIVSA-N 1 0 399.245 1.926 20 5 GDBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440812487 531346329 /nfs/dbraw/zinc/34/63/29/531346329.db2.gz VRLPMCSJWNPFHB-PRHODGIISA-N 1 0 378.248 1.634 20 5 GDBDRO C[NH+](C)[C@]1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267383412 531423038 /nfs/dbraw/zinc/42/30/38/531423038.db2.gz VCWQMBXJAXRAJW-HNNXBMFYSA-N 1 0 386.861 1.740 20 5 GDBDRO Cc1c(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc(Br)cc1[N+](=O)[O-] ZINC000415668405 531512150 /nfs/dbraw/zinc/51/21/50/531512150.db2.gz ZRANSUKXZXGHSP-NSHDSACASA-N 1 0 386.250 1.691 20 5 GDBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000268389382 531504156 /nfs/dbraw/zinc/50/41/56/531504156.db2.gz LRDJYCRPKOGMQS-UHFFFAOYSA-N 1 0 385.262 1.958 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000415666465 531510244 /nfs/dbraw/zinc/51/02/44/531510244.db2.gz ZRGOAYSUSSXEAY-LDYMZIIASA-N 1 0 399.245 1.718 20 5 GDBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000551765928 531546462 /nfs/dbraw/zinc/54/64/62/531546462.db2.gz ZHUJWAHIKDYMAZ-SNVBAGLBSA-N 1 0 397.229 1.649 20 5 GDBDRO O=C(NCCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415805399 531534679 /nfs/dbraw/zinc/53/46/79/531534679.db2.gz NEXCXPKKBZWMRQ-LLVKDONJSA-N 1 0 399.245 1.944 20 5 GDBDRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1=O ZINC000552746855 531558884 /nfs/dbraw/zinc/55/88/84/531558884.db2.gz MXCRYUKIOWGEMT-JTQLQIEISA-N 1 0 399.245 1.706 20 5 GDBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000592492068 531791998 /nfs/dbraw/zinc/79/19/98/531791998.db2.gz MVHDLMDDOOBHRG-MNOVXSKESA-N 1 0 383.246 1.837 20 5 GDBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000592869971 531807574 /nfs/dbraw/zinc/80/75/74/531807574.db2.gz AQKULPBDUHXWLQ-JTQLQIEISA-N 1 0 399.245 1.549 20 5 GDBDRO O=C(NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000566106576 531880891 /nfs/dbraw/zinc/88/08/91/531880891.db2.gz UMWCUONAKLJKAU-UHFFFAOYSA-N 1 0 383.451 1.450 20 5 GDBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC000570310518 531937223 /nfs/dbraw/zinc/93/72/23/531937223.db2.gz ZGCDOZPZGWLSSN-KCJUWKMLSA-N 1 0 376.232 1.340 20 5 GDBDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000419837100 531976520 /nfs/dbraw/zinc/97/65/20/531976520.db2.gz ZTCTUFYGRIXXGX-STQMWFEESA-N 1 0 394.209 1.811 20 5 GDBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000599103075 532005810 /nfs/dbraw/zinc/00/58/10/532005810.db2.gz RWHKPEAPIMTBMA-RKDXNWHRSA-N 1 0 385.339 1.882 20 5 GDBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371251850 532016180 /nfs/dbraw/zinc/01/61/80/532016180.db2.gz QPKZUNNCUSYFCA-OLZOCXBDSA-N 1 0 388.515 1.303 20 5 GDBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000420463972 532018638 /nfs/dbraw/zinc/01/86/38/532018638.db2.gz XCRXXRDPJXJJKI-WPRPVWTQSA-N 1 0 378.248 1.763 20 5 GDBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000420463968 532019226 /nfs/dbraw/zinc/01/92/26/532019226.db2.gz XCRXXRDPJXJJKI-SCZZXKLOSA-N 1 0 378.248 1.763 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c1 ZINC000420454666 532018058 /nfs/dbraw/zinc/01/80/58/532018058.db2.gz WNEKPVZBKUFPSV-JTQLQIEISA-N 1 0 378.248 1.778 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000271540472 532024460 /nfs/dbraw/zinc/02/44/60/532024460.db2.gz DBHOAIYDTTYJKT-OLZOCXBDSA-N 1 0 377.463 1.708 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Br ZINC000371775809 532026429 /nfs/dbraw/zinc/02/64/29/532026429.db2.gz DYHQGCLLAZICOC-RYUDHWBXSA-N 1 0 384.230 1.950 20 5 GDBDRO CCn1cc(S(=O)(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])n1 ZINC000331603554 532151812 /nfs/dbraw/zinc/15/18/12/532151812.db2.gz PIQPPEYGBGVRGK-RYUDHWBXSA-N 1 0 389.503 1.012 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274865970 532238869 /nfs/dbraw/zinc/23/88/69/532238869.db2.gz WPGMRINLUHMWOB-STQMWFEESA-N 1 0 389.474 1.934 20 5 GDBDRO CS[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1[NH+]1CCCC1 ZINC000275470290 532296850 /nfs/dbraw/zinc/29/68/50/532296850.db2.gz NXMYXFOIXJCLQW-ZIAGYGMSSA-N 1 0 386.499 1.258 20 5 GDBDRO COC[C@@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289455972 532324988 /nfs/dbraw/zinc/32/49/88/532324988.db2.gz HKUOTGVPLNYVHD-LLVKDONJSA-N 1 0 380.182 1.686 20 5 GDBDRO COCCN1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000289263154 532319780 /nfs/dbraw/zinc/31/97/80/532319780.db2.gz AKLUSLNTXDXFPG-SECBINFHSA-N 1 0 381.813 1.386 20 5 GDBDRO CNC(=O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289894490 532333694 /nfs/dbraw/zinc/33/36/94/532333694.db2.gz NBIGZBRSKWRKGT-UHFFFAOYSA-N 1 0 377.182 1.815 20 5 GDBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000359869223 212120600 /nfs/dbraw/zinc/12/06/00/212120600.db2.gz KYYABDCXROZNME-CYBMUJFWSA-N 1 0 397.863 1.776 20 5 GDBDRO CCOCC[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1CC ZINC000821378183 606708030 /nfs/dbraw/zinc/70/80/30/606708030.db2.gz KRAKINIBUNNLRQ-GFCCVEGCSA-N 1 0 376.421 1.107 20 5 GDBDRO C[NH+](C)CCOc1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)ccn1 ZINC000825870617 608100385 /nfs/dbraw/zinc/10/03/85/608100385.db2.gz UZBQBGAZTDBQQV-UHFFFAOYSA-N 1 0 385.388 1.117 20 5 GDBDRO O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000533421722 650052061 /nfs/dbraw/zinc/05/20/61/650052061.db2.gz WILWWRXXDULNBA-UHFFFAOYSA-N 1 0 388.218 1.427 20 5 GDBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000564835968 650769047 /nfs/dbraw/zinc/76/90/47/650769047.db2.gz RZKCFGLSCKIRGW-SNVBAGLBSA-N 1 0 375.166 1.633 20 5 GDBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000567867316 650925238 /nfs/dbraw/zinc/92/52/38/650925238.db2.gz MUESBDMIMFKNLN-JGVFFNPUSA-N 1 0 387.234 1.846 20 5 GDBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cs1 ZINC000120033234 644665524 /nfs/dbraw/zinc/66/55/24/644665524.db2.gz DBQQYZKEWBCNHB-ZIAGYGMSSA-N 1 0 389.499 1.703 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000124853328 644709903 /nfs/dbraw/zinc/70/99/03/644709903.db2.gz ZILAIAUOKPNPLC-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO Cc1c(Br)cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000178906691 644928241 /nfs/dbraw/zinc/92/82/41/644928241.db2.gz PMXDZKNPULAUNG-SECBINFHSA-N 1 0 378.248 1.635 20 5 GDBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000237279371 645084914 /nfs/dbraw/zinc/08/49/14/645084914.db2.gz PNYCZIUDDXNTAD-SNVBAGLBSA-N 1 0 378.248 1.730 20 5 GDBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)C1CC1 ZINC000238023314 645089360 /nfs/dbraw/zinc/08/93/60/645089360.db2.gz YYSMXCUHQVYUMU-NSHDSACASA-N 1 0 375.166 1.667 20 5 GDBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000262781936 645138269 /nfs/dbraw/zinc/13/82/69/645138269.db2.gz PGSAYQBOHMNTFG-GZMMTYOYSA-N 1 0 378.248 1.634 20 5 GDBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000262773035 645138311 /nfs/dbraw/zinc/13/83/11/645138311.db2.gz JDVXQRUDQLFZHI-WCBMZHEXSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000262777391 645138368 /nfs/dbraw/zinc/13/83/68/645138368.db2.gz NVBLIVADDZWYCK-UHFFFAOYSA-N 1 0 376.866 1.130 20 5 GDBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000262784065 645138958 /nfs/dbraw/zinc/13/89/58/645138958.db2.gz PRECOSCJYIEPJB-DTWKUNHWSA-N 1 0 378.248 1.728 20 5 GDBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000370982465 645718245 /nfs/dbraw/zinc/71/82/45/645718245.db2.gz NIUXMVIGBTZOLX-NSHDSACASA-N 1 0 375.397 1.619 20 5 GDBDRO COc1c(F)cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000452087712 647313287 /nfs/dbraw/zinc/31/32/87/647313287.db2.gz RAKYJNNWUKCFBJ-UHFFFAOYSA-N 1 0 375.422 1.895 20 5 GDBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000574419337 651540969 /nfs/dbraw/zinc/54/09/69/651540969.db2.gz HKBOFGUPVODHKC-SNVBAGLBSA-N 1 0 399.245 1.706 20 5 GDBDRO CCN(C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000595101942 652391279 /nfs/dbraw/zinc/39/12/79/652391279.db2.gz GOHIHMWKNYTAJJ-LBPRGKRZSA-N 1 0 399.245 1.848 20 5 GDBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599910589 652517826 /nfs/dbraw/zinc/51/78/26/652517826.db2.gz OMTJNIPANAYDTD-NSHDSACASA-N 1 0 383.246 1.477 20 5 GDBDRO CS[C@H]1CN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000601380233 652573613 /nfs/dbraw/zinc/57/36/13/652573613.db2.gz KPZZOAOMCQFPIA-STQMWFEESA-N 1 0 377.463 1.708 20 5 GDBDRO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768849710 654436686 /nfs/dbraw/zinc/43/66/86/654436686.db2.gz XJPFRMULXYUWRV-GFCCVEGCSA-N 1 0 377.488 1.778 20 5 GDBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])c(Br)c3)C[C@@H]21 ZINC000832264618 655024817 /nfs/dbraw/zinc/02/48/17/655024817.db2.gz FQXNLETXEADSIE-RNCFNFMXSA-N 1 0 390.259 1.682 20 5 GDBDRO COc1c[nH+]ccc1N1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000794700453 655151515 /nfs/dbraw/zinc/15/15/15/655151515.db2.gz OAWYHSJJOHCBSW-UHFFFAOYSA-N 1 0 397.233 1.737 20 5 GDBDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000841167872 655311789 /nfs/dbraw/zinc/31/17/89/655311789.db2.gz GPNGOHDPFBCOHU-VIFPVBQESA-N 1 0 399.245 1.882 20 5 GDBDRO C[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000841209188 655314222 /nfs/dbraw/zinc/31/42/22/655314222.db2.gz MBFBAVNMJMHJBX-IUCAKERBSA-N 1 0 385.218 1.505 20 5 GDBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841214764 655314771 /nfs/dbraw/zinc/31/47/71/655314771.db2.gz RUELAGQDBOBCQT-OAHLLOKOSA-N 1 0 397.229 1.508 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1 ZINC000842479671 655366657 /nfs/dbraw/zinc/36/66/57/655366657.db2.gz CKLNMTXZZBIRCD-UHFFFAOYSA-N 1 0 378.248 1.778 20 5 GDBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1[NH3+] ZINC000842726013 655373914 /nfs/dbraw/zinc/37/39/14/655373914.db2.gz AKABXJWKHQHNHP-KWQFWETISA-N 1 0 378.248 1.715 20 5 GDBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000842737279 655374506 /nfs/dbraw/zinc/37/45/06/655374506.db2.gz MGXJAIKVOWNTQV-UHFFFAOYSA-N 1 0 380.264 1.963 20 5 GDBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000842743118 655374714 /nfs/dbraw/zinc/37/47/14/655374714.db2.gz BZWBJXSUIICFCL-KCJUWKMLSA-N 1 0 394.247 1.094 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000842745207 655375004 /nfs/dbraw/zinc/37/50/04/655375004.db2.gz GMUPFTBYSCVLDY-LLVKDONJSA-N 1 0 390.259 1.872 20 5 GDBDRO CC1([NH3+])CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000842773683 655376252 /nfs/dbraw/zinc/37/62/52/655376252.db2.gz RTNWZVCIQRLGLM-UHFFFAOYSA-N 1 0 378.248 1.859 20 5 GDBDRO CN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000819180246 655387808 /nfs/dbraw/zinc/38/78/08/655387808.db2.gz PNXSXIBMIORVBG-CQSZACIVSA-N 1 0 385.467 1.600 20 5 GDBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)(F)F ZINC000848601698 655497260 /nfs/dbraw/zinc/49/72/60/655497260.db2.gz HEXJMYPMPIPVAW-MRVPVSSYSA-N 1 0 399.123 1.302 20 5 GDBDRO [NH2+]=C(NCCc1cccs1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849082357 655517191 /nfs/dbraw/zinc/51/71/91/655517191.db2.gz VZSSVMMQJRCOPG-UHFFFAOYSA-N 1 0 382.467 1.787 20 5 GDBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCOCC1 ZINC000858622453 655750812 /nfs/dbraw/zinc/75/08/12/655750812.db2.gz DGULWBJKEIBPCU-UHFFFAOYSA-N 1 0 394.247 1.144 20 5 GDBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C[NH2+]1 ZINC000858633046 655751649 /nfs/dbraw/zinc/75/16/49/655751649.db2.gz VTZJMLDUUABGQT-DTWKUNHWSA-N 1 0 378.248 1.776 20 5 GDBDRO Cc1cc(Br)c(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000861525392 655824578 /nfs/dbraw/zinc/82/45/78/655824578.db2.gz VSMWJAUJAJEKGO-ZJUUUORDSA-N 1 0 399.245 1.861 20 5 GDBDRO Cc1c(Br)c(=O)n(CC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000865364394 655918126 /nfs/dbraw/zinc/91/81/26/655918126.db2.gz MKDWFBDXRXJLSF-UHFFFAOYSA-N 1 0 387.234 1.038 20 5 GDBDRO O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866827453 655967566 /nfs/dbraw/zinc/96/75/66/655967566.db2.gz NDAQBUILTZUQDD-NWDGAFQWSA-N 1 0 390.259 1.872 20 5 GDBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000871815505 656283241 /nfs/dbraw/zinc/28/32/41/656283241.db2.gz WSLDWYGNSOQZRL-TVQRCGJNSA-N 1 0 390.259 1.587 20 5 GDBDRO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923713608 656594449 /nfs/dbraw/zinc/59/44/49/656594449.db2.gz UTTAFDOJRLUYON-VHSXEESVSA-N 1 0 390.259 1.587 20 5 GDBDRO O=C1NC[C@H](O)CC12CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000932830285 657226369 /nfs/dbraw/zinc/22/63/69/657226369.db2.gz ATJYFQSFTIIEKI-LLVKDONJSA-N 1 0 398.257 1.820 20 5 GDBDRO